0 B15R2.2195 C(#Cc1ccccc1)c2ccccc2 271570a_100000069678_100000210277 [0,0,0,0,0,0|2,0,1]=3 1 B15R2.2195 C(#Cc1ccccn1)c2ccccc2 271570a_100000069678_100011216584 [0,0,0,0,0,0|3,0,1]=4 2 B15R2.2195 C(#Cc1cccnc1)c2ccccc2 271570a_100000069678_100000752921 [0,0,0,0,0,0|1,0,1]=2 3 B15R2.2195 C(#Cc1cccnn1)c2ccccc2 271570a_100000069678_100016991348 [0,0,0,0,0,0|2,0,1]=3 4 B15R2.2195 C(#Cc1ccncc1)c2ccccc2 271570a_100000069678_100000035832 [0,0,0,0,0,0|3,0,1]=4 5 B15R2.2195 C(#Cc1ccnnc1)c2ccccc2 271570a_100000069678_100000732662 [0,0,0,0,0,0|2,0,1]=3 6 B15R2.2195 C(#Cc1cnccn1)c2ccccc2 271570a_100000069678_100000758340 [0,0,0,0,0,0|2,0,1]=3 7 B15R2.2195 C(#Cc1cncnc1)c2ccccc2 271570a_100000069678_100011206942 [0,0,0,0,0,0|2,0,1]=3 8 B15R2.2195 C(#Cc1cnnnc1)c2ccccc2 271570a_100000069678_100009846058 [0,0,0,0,0,0|3,0,1]=4 9 B15R2.2195 C(=Cc1ccccc1)c2ccccc2 271570a_100102527694_100000210277 [0,0,0,0,0,0|2,0,1]=3 10 B15R2.2195 C(=Cc1ccccn1)c2ccccc2 271570a_100102527694_100011216584 [0,0,0,0,0,0|3,0,1]=4 11 B15R2.2195 C(=Cc1ccccn1)c2cccnc2 271570a_100102525586_100011216584 [0,0,0,0,0,0|2,0,1]=3 12 B15R2.2195 C(=Cc1cccnc1)c2ccccc2 271570a_100102525586_100000210277 [0,0,0,0,0,0|1,0,1]=2 13 B15R2.2195 C(=Cc1cccnc1)c2ccccc2 271570a_100102527694_100000752921 [0,0,0,0,0,0|1,0,1]=2 14 B15R2.2195 C(=Cc1cccnc1)c2cccnc2 271570a_100102525586_100000752921 [0,0,0,0,0,0|2,0,1]=3 15 B15R2.2195 C(=Cc1cccnc1)c2ccncc2 271570a_100102525586_100000035832 [0,0,0,0,0,0|2,0,1]=3 16 B15R2.2195 C(=Cc1cccnn1)c2ccccc2 271570a_100102527694_100016991348 [0,0,0,0,0,0|2,0,1]=3 17 B15R2.2195 C(=Cc1cccnn1)c2cccnc2 271570a_100102525586_100016991348 [0,0,0,0,0,0|3,0,1]=4 18 B15R2.2195 C(=Cc1ccncc1)c2ccccc2 271570a_100102527694_100000035832 [0,0,0,0,0,0|3,0,1]=4 19 B15R2.2195 C(=Cc1ccncn1)c2cccnc2 271570a_100102525586_100000703185 [0,0,0,0,0,0|3,0,1]=4 20 B15R2.2195 C(=Cc1ccnnc1)c2ccccc2 271570a_100102527694_100000732662 [0,0,0,0,0,0|2,0,1]=3 21 B15R2.2195 C(=Cc1ccnnc1)c2cccnc2 271570a_100102525586_100000732662 [0,0,0,0,0,0|3,0,1]=4 22 B15R2.2195 C(=Cc1cnccn1)c2ccccc2 271570a_100102527694_100000758340 [0,0,0,0,0,0|2,0,1]=3 23 B15R2.2195 C(=Cc1cnccn1)c2cccnc2 271570a_100102525586_100000758340 [0,0,0,0,0,0|3,0,1]=4 24 B15R2.2195 C(=Cc1cncnc1)c2ccccc2 271570a_100102527694_100011206942 [0,0,0,0,0,0|2,0,1]=3 25 B15R2.2195 C(=Cc1cncnc1)c2cccnc2 271570a_100102525586_100011206942 [0,0,0,0,0,0|3,0,1]=4 26 B15R2.2195 C(=Cc1cnnnc1)c2ccccc2 271570a_100102527694_100009846058 [0,0,0,0,0,0|3,0,1]=4 27 B15R2.2195 C(=Cc1ncccn1)c2cccnc2 271570a_100102525586_100000211032 [0,0,0,0,0,0|3,0,1]=4 28 B15R2.2195 C1=CC(=NNc2ccccc2)CCC1 4a_100015195140_100011213375 [0,0,0,0,0,0|2,0,2]=4 29 B15R2.2195 c1cc(ccn1)CNc2ccncn2 27a_100000210450_100000703185 [0,0,0,0,0,0|4,0,0]=4 30 B15R2.2195 c1cc(ccn1)CNc2cnccn2 27a_100000210450_100000211759 [0,0,0,0,0,0|4,0,0]=4 31 B15R2.2195 c1cc(ccn1)COc2cncnc2 7a_100000754086_100015193705 [0,0,0,0,0,0|4,0,0]=4 32 B15R2.2195 c1cc(ccn1)CSc2ccncc2 62a_100000728582_100015193705 [0,0,0,0,0,0|4,0,0]=4 33 B15R2.2195 c1cc(ccn1)CSc2ccncc2 62a_100015193705_100000728582 [0,0,0,0,0,0|4,0,0]=4 34 B15R2.2195 c1cc(ccn1)CSc2ccnnc2 62a_100000732662_100015193705 [0,0,0,0,0,0|4,0,0]=4 35 B15R2.2195 c1cc(ccn1)CSc2ccnnc2 62a_100015193705_100000732662 [0,0,0,0,0,0|4,0,0]=4 36 B15R2.2195 c1cc(ccn1)CSc2cnccn2 62a_100000211759_100015193705 [0,0,0,0,0,0|4,0,0]=4 37 B15R2.2195 c1cc(ccn1)CSc2cnccn2 62a_100015193705_100000211759 [0,0,0,0,0,0|4,0,0]=4 38 B15R2.2195 c1cc(ccn1)CSc2cncnc2 62a_100011206942_100015193705 [0,0,0,0,0,0|4,0,0]=4 39 B15R2.2195 c1cc(ccn1)CSc2cncnc2 62a_100015193705_100011206942 [0,0,0,0,0,0|4,0,0]=4 40 B15R2.2195 c1cc(ccn1)OCc2cnccn2 34a_100000212176_100016995436 [0,0,0,0,0,0|3,0,0]=3 41 B15R2.2195 c1cc(ccn1)OCc2cncnc2 34a_100000212176_100015196519 [0,0,0,0,0,0|3,0,0]=3 42 B15R2.2195 c1cc(ccn1)SCc2cnccn2 62a_100000728582_100016995436 [0,0,0,0,0,0|3,0,0]=3 43 B15R2.2195 c1cc(ccn1)SCc2cnccn2 62a_100016995436_100000728582 [0,0,0,0,0,0|3,0,0]=3 44 B15R2.2195 c1cc(ccn1)SCc2cncnc2 62a_100000728582_100015196519 [0,0,0,0,0,0|3,0,0]=3 45 B15R2.2195 c1cc(ccn1)SCc2cncnc2 62a_100015196519_100000728582 [0,0,0,0,0,0|3,0,0]=3 46 B15R2.2195 c1cc(ncn1)NCc2cnccn2 27a_100000737960_100000703185 [0,0,0,0,0,0|3,0,0]=3 47 B15R2.2195 c1cc(ncn1)NCc2cncnc2 27a_100011243677_100000703185 [0,0,0,0,0,0|3,0,0]=3 48 B15R2.2195 c1cc(ncn1)SCc2cnccn2 62a_100000703185_100016995436 [0,0,0,0,0,0|4,0,0]=4 49 B15R2.2195 c1cc(ncn1)SCc2cnccn2 62a_100016995436_100000703185 [0,0,0,0,0,0|4,0,0]=4 50 B15R2.2195 c1cc(ncn1)SCc2cncnc2 62a_100000703185_100015196519 [0,0,0,0,0,0|4,0,0]=4 51 B15R2.2195 c1cc(ncn1)SCc2cncnc2 62a_100015196519_100000703185 [0,0,0,0,0,0|4,0,0]=4 52 B15R2.2195 c1ccc(cc1)CNc2ccccc2 207a_100000106764_100015611070 [0,0,0,0,0,0|1,0,0]=1 53 B15R2.2195 c1ccc(cc1)CNc2ccccc2 270302a_100000106764_100015611070 [0,0,0,0,0,0|1,0,0]=1 54 B15R2.2195 c1ccc(cc1)CNc2ccccc2 34a_100000106764_100015291786 [0,0,0,0,0,0|1,0,0]=1 55 B15R2.2195 c1ccc(cc1)CNc2cccnn2 27a_100015324214_100016991348 [0,0,0,0,0,0|3,0,0]=3 56 B15R2.2195 c1ccc(cc1)CNc2ccncn2 27a_100015324214_100000703185 [0,0,0,0,0,0|3,0,0]=3 57 B15R2.2195 c1ccc(cc1)CNc2cnccn2 27a_100015324214_100000211759 [0,0,0,0,0,0|3,0,0]=3 58 B15R2.2195 c1ccc(cc1)CNc2ncccn2 27a_100015324214_100000211032 [0,0,0,0,0,0|3,0,0]=3 59 B15R2.2195 c1ccc(cc1)COc2ccccc2 34a_100000210340_100015291786 [0,0,0,0,0,0|2,0,0]=2 60 B15R2.2195 c1ccc(cc1)COc2ccccc2 7a_100000210340_100000211182 [0,0,0,0,0,0|2,0,0]=2 61 B15R2.2195 c1ccc(cc1)COc2cccnc2 34a_100000210849_100015291786 [0,0,0,0,0,0|2,0,0]=2 62 B15R2.2195 c1ccc(cc1)COc2cccnc2 7a_100000210849_100000211182 [0,0,0,0,0,0|2,0,0]=2 63 B15R2.2195 c1ccc(cc1)COc2ccncc2 34a_100000212176_100015291786 [0,0,0,0,0,0|3,0,0]=3 64 B15R2.2195 c1ccc(cc1)COc2ccnnc2 34a_100015204005_100015291786 [0,0,0,0,0,0|3,0,0]=3 65 B15R2.2195 c1ccc(cc1)COc2cncnc2 7a_100000754086_100000211182 [0,0,0,0,0,0|3,0,0]=3 66 B15R2.2195 c1ccc(cc1)CSc2ccccc2 62a_100000211182_100000041952 [0,0,0,0,0,0|2,0,0]=2 67 B15R2.2195 c1ccc(cc1)CSc2ccccc2 62a_100000719477_100015291786 [0,0,0,0,0,0|2,0,0]=2 68 B15R2.2195 c1ccc(cc1)CSc2ccccn2 62a_100000211182_100011216584 [0,0,0,0,0,0|3,0,0]=3 69 B15R2.2195 c1ccc(cc1)CSc2ccccn2 62a_100011216584_100015291786 [0,0,0,0,0,0|3,0,0]=3 70 B15R2.2195 c1ccc(cc1)CSc2cccnc2 62a_100000210063_100015291786 [0,0,0,0,0,0|2,0,0]=2 71 B15R2.2195 c1ccc(cc1)CSc2cccnc2 62a_100000211182_100000210063 [0,0,0,0,0,0|2,0,0]=2 72 B15R2.2195 c1ccc(cc1)CSc2cccnn2 62a_100000211182_100016991348 [0,0,0,0,0,0|3,0,0]=3 73 B15R2.2195 c1ccc(cc1)CSc2cccnn2 62a_100016991348_100015291786 [0,0,0,0,0,0|3,0,0]=3 74 B15R2.2195 c1ccc(cc1)CSc2ccncc2 62a_100000211182_100000728582 [0,0,0,0,0,0|3,0,0]=3 75 B15R2.2195 c1ccc(cc1)CSc2ccncc2 62a_100000728582_100015291786 [0,0,0,0,0,0|3,0,0]=3 76 B15R2.2195 c1ccc(cc1)CSc2ccncn2 62a_100000211182_100000703185 [0,0,0,0,0,0|4,0,0]=4 77 B15R2.2195 c1ccc(cc1)CSc2ccncn2 62a_100000703185_100015291786 [0,0,0,0,0,0|4,0,0]=4 78 B15R2.2195 c1ccc(cc1)CSc2ccnnc2 62a_100000211182_100000732662 [0,0,0,0,0,0|3,0,0]=3 79 B15R2.2195 c1ccc(cc1)CSc2ccnnc2 62a_100000732662_100015291786 [0,0,0,0,0,0|3,0,0]=3 80 B15R2.2195 c1ccc(cc1)CSc2cnccn2 62a_100000211182_100000211759 [0,0,0,0,0,0|3,0,0]=3 81 B15R2.2195 c1ccc(cc1)CSc2cnccn2 62a_100000211759_100015291786 [0,0,0,0,0,0|3,0,0]=3 82 B15R2.2195 c1ccc(cc1)CSc2cncnc2 62a_100000211182_100011206942 [0,0,0,0,0,0|3,0,0]=3 83 B15R2.2195 c1ccc(cc1)CSc2cncnc2 62a_100011206942_100015291786 [0,0,0,0,0,0|3,0,0]=3 84 B15R2.2195 c1ccc(cc1)CSc2cnnnc2 62a_100000211182_100009846058 [0,0,0,0,0,0|4,0,0]=4 85 B15R2.2195 c1ccc(cc1)CSc2cnnnc2 62a_100009846058_100015291786 [0,0,0,0,0,0|4,0,0]=4 86 B15R2.2195 c1ccc(cc1)CSc2ncccn2 62a_100000211032_100015291786 [0,0,0,0,0,0|4,0,0]=4 87 B15R2.2195 c1ccc(cc1)CSc2ncccn2 62a_100000211182_100000211032 [0,0,0,0,0,0|4,0,0]=4 88 B15R2.2195 c1ccc(cc1)NCc2ccccn2 207a_100000106764_100000209966 [0,0,0,0,0,0|2,0,0]=2 89 B15R2.2195 c1ccc(cc1)NCc2ccccn2 270302a_100000106764_100000209966 [0,0,0,0,0,0|2,0,0]=2 90 B15R2.2195 c1ccc(cc1)NCc2ccccn2 34a_100000106764_100000721315 [0,0,0,0,0,0|2,0,0]=2 91 B15R2.2195 c1ccc(cc1)NCc2cccnc2 207a_100000106764_100000209961 [0,0,0,0,0,0|0,0,0]=0 92 B15R2.2195 c1ccc(cc1)NCc2cccnc2 270302a_100000106764_100000209961 [0,0,0,0,0,0|0,0,0]=0 93 B15R2.2195 c1ccc(cc1)NCc2cccnc2 34a_100000106764_100000733263 [0,0,0,0,0,0|0,0,0]=0 94 B15R2.2195 c1ccc(cc1)NCc2cccnn2 34a_100000106764_100016990269 [0,0,0,0,0,0|1,0,0]=1 95 B15R2.2195 c1ccc(cc1)NCc2ccncc2 207a_100000106764_100000186114 [0,0,0,0,0,0|2,0,0]=2 96 B15R2.2195 c1ccc(cc1)NCc2ccnnc2 270302a_100000106764_100011934578 [0,0,0,0,0,0|1,0,0]=1 97 B15R2.2195 c1ccc(cc1)NCc2cnccn2 34a_100000106764_100016995436 [0,0,0,0,0,0|1,0,0]=1 98 B15R2.2195 c1ccc(cc1)NCc2cncnc2 270302a_100000106764_100000749868 [0,0,0,0,0,0|1,0,0]=1 99 B15R2.2195 c1ccc(cc1)NCc2cncnc2 34a_100000106764_100015196519 [0,0,0,0,0,0|1,0,0]=1 100 B15R2.2195 c1ccc(cc1)NCc2ncccn2 34a_100000106764_100000703007 [0,0,0,0,0,0|3,0,0]=3 101 B15R2.2195 c1ccc(cc1)OCc2ccccn2 34a_100000210340_100000721315 [0,0,0,0,0,0|3,0,0]=3 102 B15R2.2195 c1ccc(cc1)OCc2ccccn2 7a_100000210340_100000721315 [0,0,0,0,0,0|3,0,0]=3 103 B15R2.2195 c1ccc(cc1)OCc2cccnc2 34a_100000210340_100000733263 [0,0,0,0,0,0|1,0,0]=1 104 B15R2.2195 c1ccc(cc1)OCc2cccnc2 7a_100000210340_100000741622 [0,0,0,0,0,0|1,0,0]=1 105 B15R2.2195 c1ccc(cc1)OCc2cccnn2 34a_100000210340_100016990269 [0,0,0,0,0,0|2,0,0]=2 106 B15R2.2195 c1ccc(cc1)OCc2cccnn2 7a_100000210340_100016990269 [0,0,0,0,0,0|2,0,0]=2 107 B15R2.2195 c1ccc(cc1)OCc2ccncc2 7a_100000210340_100015193705 [0,0,0,0,0,0|3,0,0]=3 108 B15R2.2195 c1ccc(cc1)OCc2cnccn2 34a_100000210340_100016995436 [0,0,0,0,0,0|2,0,0]=2 109 B15R2.2195 c1ccc(cc1)OCc2cnccn2 7a_100000210340_100016995436 [0,0,0,0,0,0|2,0,0]=2 110 B15R2.2195 c1ccc(cc1)OCc2cncnc2 34a_100000210340_100015196519 [0,0,0,0,0,0|2,0,0]=2 111 B15R2.2195 c1ccc(cc1)OCc2cncnc2 7a_100000210340_100015196519 [0,0,0,0,0,0|2,0,0]=2 112 B15R2.2195 c1ccc(cc1)OCc2ncccn2 34a_100000210340_100000703007 [0,0,0,0,0,0|4,0,0]=4 113 B15R2.2195 c1ccc(cc1)OCc2ncccn2 7a_100000210340_100000703007 [0,0,0,0,0,0|4,0,0]=4 114 B15R2.2195 c1ccc(cc1)SCc2ccccn2 62a_100000719477_100000721315 [0,0,0,0,0,0|3,0,0]=3 115 B15R2.2195 c1ccc(cc1)SCc2ccccn2 62a_100000721315_100000041952 [0,0,0,0,0,0|3,0,0]=3 116 B15R2.2195 c1ccc(cc1)SCc2cccnc2 62a_100000719477_100000741622 [0,0,0,0,0,0|1,0,0]=1 117 B15R2.2195 c1ccc(cc1)SCc2cccnc2 62a_100000741622_100000041952 [0,0,0,0,0,0|1,0,0]=1 118 B15R2.2195 c1ccc(cc1)SCc2cccnn2 62a_100000719477_100016990269 [0,0,0,0,0,0|2,0,0]=2 119 B15R2.2195 c1ccc(cc1)SCc2cccnn2 62a_100016990269_100000041952 [0,0,0,0,0,0|2,0,0]=2 120 B15R2.2195 c1ccc(cc1)SCc2ccncc2 62a_100000719477_100015193705 [0,0,0,0,0,0|3,0,0]=3 121 B15R2.2195 c1ccc(cc1)SCc2ccncc2 62a_100015193705_100000041952 [0,0,0,0,0,0|3,0,0]=3 122 B15R2.2195 c1ccc(cc1)SCc2cnccn2 62a_100000719477_100016995436 [0,0,0,0,0,0|2,0,0]=2 123 B15R2.2195 c1ccc(cc1)SCc2cnccn2 62a_100016995436_100000041952 [0,0,0,0,0,0|2,0,0]=2 124 B15R2.2195 c1ccc(cc1)SCc2cncnc2 62a_100000719477_100015196519 [0,0,0,0,0,0|2,0,0]=2 125 B15R2.2195 c1ccc(cc1)SCc2cncnc2 62a_100015196519_100000041952 [0,0,0,0,0,0|2,0,0]=2 126 B15R2.2195 c1ccc(cc1)SCc2ncccn2 62a_100000703007_100000041952 [0,0,0,0,0,0|4,0,0]=4 127 B15R2.2195 c1ccc(cc1)SCc2ncccn2 62a_100000719477_100000703007 [0,0,0,0,0,0|4,0,0]=4 128 B15R2.2195 c1ccc(nc1)CNc2cccnn2 27a_100000210449_100016991348 [0,0,0,0,0,0|4,0,0]=4 129 B15R2.2195 c1ccc(nc1)CNc2ccncn2 27a_100000210449_100000703185 [0,0,0,0,0,0|4,0,0]=4 130 B15R2.2195 c1ccc(nc1)CNc2cnccn2 27a_100000210449_100000211759 [0,0,0,0,0,0|4,0,0]=4 131 B15R2.2195 c1ccc(nc1)CNc2ncccn2 27a_100000210449_100000211032 [0,0,0,0,0,0|4,0,0]=4 132 B15R2.2195 c1ccc(nc1)COc2cccnc2 34a_100000210849_100000721315 [0,0,0,0,0,0|3,0,0]=3 133 B15R2.2195 c1ccc(nc1)COc2cccnc2 7a_100000210849_100000721315 [0,0,0,0,0,0|3,0,0]=3 134 B15R2.2195 c1ccc(nc1)COc2ccncc2 34a_100000212176_100000721315 [0,0,0,0,0,0|4,0,0]=4 135 B15R2.2195 c1ccc(nc1)COc2ccnnc2 34a_100015204005_100000721315 [0,0,0,0,0,0|4,0,0]=4 136 B15R2.2195 c1ccc(nc1)COc2cncnc2 7a_100000754086_100000721315 [0,0,0,0,0,0|4,0,0]=4 137 B15R2.2195 c1ccc(nc1)CSc2ccccn2 62a_100000721315_100011216584 [0,0,0,0,0,0|4,0,0]=4 138 B15R2.2195 c1ccc(nc1)CSc2ccccn2 62a_100011216584_100000721315 [0,0,0,0,0,0|4,0,0]=4 139 B15R2.2195 c1ccc(nc1)CSc2cccnc2 62a_100000210063_100000721315 [0,0,0,0,0,0|3,0,0]=3 140 B15R2.2195 c1ccc(nc1)CSc2cccnc2 62a_100000721315_100000210063 [0,0,0,0,0,0|3,0,0]=3 141 B15R2.2195 c1ccc(nc1)CSc2cccnn2 62a_100000721315_100016991348 [0,0,0,0,0,0|4,0,0]=4 142 B15R2.2195 c1ccc(nc1)CSc2cccnn2 62a_100016991348_100000721315 [0,0,0,0,0,0|4,0,0]=4 143 B15R2.2195 c1ccc(nc1)CSc2ccncc2 62a_100000721315_100000728582 [0,0,0,0,0,0|4,0,0]=4 144 B15R2.2195 c1ccc(nc1)CSc2ccncc2 62a_100000728582_100000721315 [0,0,0,0,0,0|4,0,0]=4 145 B15R2.2195 c1ccc(nc1)CSc2ccnnc2 62a_100000721315_100000732662 [0,0,0,0,0,0|4,0,0]=4 146 B15R2.2195 c1ccc(nc1)CSc2ccnnc2 62a_100000732662_100000721315 [0,0,0,0,0,0|4,0,0]=4 147 B15R2.2195 c1ccc(nc1)CSc2cnccn2 62a_100000211759_100000721315 [0,0,0,0,0,0|4,0,0]=4 148 B15R2.2195 c1ccc(nc1)CSc2cnccn2 62a_100000721315_100000211759 [0,0,0,0,0,0|4,0,0]=4 149 B15R2.2195 c1ccc(nc1)CSc2cncnc2 62a_100000721315_100011206942 [0,0,0,0,0,0|4,0,0]=4 150 B15R2.2195 c1ccc(nc1)CSc2cncnc2 62a_100011206942_100000721315 [0,0,0,0,0,0|4,0,0]=4 151 B15R2.2195 c1ccc(nc1)SCc2cccnc2 62a_100000741622_100011216584 [0,0,0,0,0,0|2,0,0]=2 152 B15R2.2195 c1ccc(nc1)SCc2cccnc2 62a_100011216584_100000741622 [0,0,0,0,0,0|2,0,0]=2 153 B15R2.2195 c1ccc(nc1)SCc2cccnn2 62a_100011216584_100016990269 [0,0,0,0,0,0|3,0,0]=3 154 B15R2.2195 c1ccc(nc1)SCc2cccnn2 62a_100016990269_100011216584 [0,0,0,0,0,0|3,0,0]=3 155 B15R2.2195 c1ccc(nc1)SCc2ccncc2 62a_100011216584_100015193705 [0,0,0,0,0,0|4,0,0]=4 156 B15R2.2195 c1ccc(nc1)SCc2ccncc2 62a_100015193705_100011216584 [0,0,0,0,0,0|4,0,0]=4 157 B15R2.2195 c1ccc(nc1)SCc2cnccn2 62a_100011216584_100016995436 [0,0,0,0,0,0|3,0,0]=3 158 B15R2.2195 c1ccc(nc1)SCc2cnccn2 62a_100016995436_100011216584 [0,0,0,0,0,0|3,0,0]=3 159 B15R2.2195 c1ccc(nc1)SCc2cncnc2 62a_100011216584_100015196519 [0,0,0,0,0,0|3,0,0]=3 160 B15R2.2195 c1ccc(nc1)SCc2cncnc2 62a_100015196519_100011216584 [0,0,0,0,0,0|3,0,0]=3 161 B15R2.2195 c1cnc(cn1)CNc2cnccn2 27a_100000737960_100000211759 [0,0,0,0,0,0|3,0,0]=3 162 B15R2.2195 c1cnc(cn1)COc2ccnnc2 34a_100015204005_100016995436 [0,0,0,0,0,0|4,0,0]=4 163 B15R2.2195 c1cnc(cn1)COc2cncnc2 7a_100000754086_100016995436 [0,0,0,0,0,0|4,0,0]=4 164 B15R2.2195 c1cnc(cn1)CSc2ccnnc2 62a_100000732662_100016995436 [0,0,0,0,0,0|4,0,0]=4 165 B15R2.2195 c1cnc(cn1)CSc2ccnnc2 62a_100016995436_100000732662 [0,0,0,0,0,0|4,0,0]=4 166 B15R2.2195 c1cnc(cn1)CSc2cnccn2 62a_100000211759_100016995436 [0,0,0,0,0,0|4,0,0]=4 167 B15R2.2195 c1cnc(cn1)CSc2cnccn2 62a_100016995436_100000211759 [0,0,0,0,0,0|4,0,0]=4 168 B15R2.2195 c1cnc(cn1)CSc2cncnc2 62a_100011206942_100016995436 [0,0,0,0,0,0|4,0,0]=4 169 B15R2.2195 c1cnc(cn1)CSc2cncnc2 62a_100016995436_100011206942 [0,0,0,0,0,0|4,0,0]=4 170 B15R2.2195 c1cnc(cn1)NCc2cncnc2 27a_100011243677_100000211759 [0,0,0,0,0,0|3,0,0]=3 171 B15R2.2195 c1cnc(cn1)SCc2cncnc2 62a_100000211759_100015196519 [0,0,0,0,0,0|4,0,0]=4 172 B15R2.2195 c1cnc(cn1)SCc2cncnc2 62a_100015196519_100000211759 [0,0,0,0,0,0|4,0,0]=4 173 B15R2.2195 c1cnc(nc1)COc2cccnc2 34a_100000210849_100000703007 [0,0,0,0,0,0|4,0,0]=4 174 B15R2.2195 c1cnc(nc1)COc2cccnc2 7a_100000210849_100000703007 [0,0,0,0,0,0|4,0,0]=4 175 B15R2.2195 c1cnc(nc1)CSc2cccnc2 62a_100000210063_100000703007 [0,0,0,0,0,0|4,0,0]=4 176 B15R2.2195 c1cnc(nc1)CSc2cccnc2 62a_100000703007_100000210063 [0,0,0,0,0,0|4,0,0]=4 177 B15R2.2195 c1cnc(nc1)NCc2cccnc2 27a_100000210453_100000211032 [0,0,0,0,0,0|2,0,0]=2 178 B15R2.2195 c1cnc(nc1)NCc2cccnn2 27a_100159270163_100000211032 [0,0,0,0,0,0|3,0,0]=3 179 B15R2.2195 c1cnc(nc1)NCc2ccncc2 27a_100000210450_100000211032 [0,0,0,0,0,0|4,0,0]=4 180 B15R2.2195 c1cnc(nc1)NCc2cnccn2 27a_100000737960_100000211032 [0,0,0,0,0,0|3,0,0]=3 181 B15R2.2195 c1cnc(nc1)NCc2cncnc2 27a_100011243677_100000211032 [0,0,0,0,0,0|3,0,0]=3 182 B15R2.2195 c1cnc(nc1)SCc2cccnc2 62a_100000211032_100000741622 [0,0,0,0,0,0|3,0,0]=3 183 B15R2.2195 c1cnc(nc1)SCc2cccnc2 62a_100000741622_100000211032 [0,0,0,0,0,0|3,0,0]=3 184 B15R2.2195 c1cnc(nc1)SCc2cccnn2 62a_100000211032_100016990269 [0,0,0,0,0,0|4,0,0]=4 185 B15R2.2195 c1cnc(nc1)SCc2cccnn2 62a_100016990269_100000211032 [0,0,0,0,0,0|4,0,0]=4 186 B15R2.2195 c1cnc(nc1)SCc2cnccn2 62a_100000211032_100016995436 [0,0,0,0,0,0|4,0,0]=4 187 B15R2.2195 c1cnc(nc1)SCc2cnccn2 62a_100016995436_100000211032 [0,0,0,0,0,0|4,0,0]=4 188 B15R2.2195 c1cnc(nc1)SCc2cncnc2 62a_100000211032_100015196519 [0,0,0,0,0,0|4,0,0]=4 189 B15R2.2195 c1cnc(nc1)SCc2cncnc2 62a_100015196519_100000211032 [0,0,0,0,0,0|4,0,0]=4 190 B15R2.2195 c1cncc(c1)CNc2cccnn2 27a_100000210453_100016991348 [0,0,0,0,0,0|2,0,0]=2 191 B15R2.2195 c1cncc(c1)CNc2ccncn2 27a_100000210453_100000703185 [0,0,0,0,0,0|2,0,0]=2 192 B15R2.2195 c1cncc(c1)CNc2cnccn2 27a_100000210453_100000211759 [0,0,0,0,0,0|2,0,0]=2 193 B15R2.2195 c1cncc(c1)COc2cccnc2 34a_100000210849_100000733263 [0,0,0,0,0,0|2,0,0]=2 194 B15R2.2195 c1cncc(c1)COc2cccnc2 7a_100000210849_100000741622 [0,0,0,0,0,0|2,0,0]=2 195 B15R2.2195 c1cncc(c1)COc2ccncc2 34a_100000212176_100000733263 [0,0,0,0,0,0|2,0,0]=2 196 B15R2.2195 c1cncc(c1)COc2ccnnc2 34a_100015204005_100000733263 [0,0,0,0,0,0|3,0,0]=3 197 B15R2.2195 c1cncc(c1)COc2cncnc2 7a_100000754086_100000741622 [0,0,0,0,0,0|3,0,0]=3 198 B15R2.2195 c1cncc(c1)CSc2cccnc2 62a_100000210063_100000741622 [0,0,0,0,0,0|2,0,0]=2 199 B15R2.2195 c1cncc(c1)CSc2cccnc2 62a_100000741622_100000210063 [0,0,0,0,0,0|2,0,0]=2 200 B15R2.2195 c1cncc(c1)CSc2cccnn2 62a_100000741622_100016991348 [0,0,0,0,0,0|3,0,0]=3 201 B15R2.2195 c1cncc(c1)CSc2cccnn2 62a_100016991348_100000741622 [0,0,0,0,0,0|3,0,0]=3 202 B15R2.2195 c1cncc(c1)CSc2ccncc2 62a_100000728582_100000741622 [0,0,0,0,0,0|2,0,0]=2 203 B15R2.2195 c1cncc(c1)CSc2ccncc2 62a_100000741622_100000728582 [0,0,0,0,0,0|2,0,0]=2 204 B15R2.2195 c1cncc(c1)CSc2ccncn2 62a_100000703185_100000741622 [0,0,0,0,0,0|3,0,0]=3 205 B15R2.2195 c1cncc(c1)CSc2ccncn2 62a_100000741622_100000703185 [0,0,0,0,0,0|3,0,0]=3 206 B15R2.2195 c1cncc(c1)CSc2ccnnc2 62a_100000732662_100000741622 [0,0,0,0,0,0|3,0,0]=3 207 B15R2.2195 c1cncc(c1)CSc2ccnnc2 62a_100000741622_100000732662 [0,0,0,0,0,0|3,0,0]=3 208 B15R2.2195 c1cncc(c1)CSc2cnccn2 62a_100000211759_100000741622 [0,0,0,0,0,0|3,0,0]=3 209 B15R2.2195 c1cncc(c1)CSc2cnccn2 62a_100000741622_100000211759 [0,0,0,0,0,0|3,0,0]=3 210 B15R2.2195 c1cncc(c1)CSc2cncnc2 62a_100000741622_100011206942 [0,0,0,0,0,0|3,0,0]=3 211 B15R2.2195 c1cncc(c1)CSc2cncnc2 62a_100011206942_100000741622 [0,0,0,0,0,0|3,0,0]=3 212 B15R2.2195 c1cncc(c1)CSc2cnnnc2 62a_100000741622_100009846058 [0,0,0,0,0,0|4,0,0]=4 213 B15R2.2195 c1cncc(c1)CSc2cnnnc2 62a_100009846058_100000741622 [0,0,0,0,0,0|4,0,0]=4 214 B15R2.2195 c1cncc(c1)OCc2cccnn2 34a_100000210849_100016990269 [0,0,0,0,0,0|3,0,0]=3 215 B15R2.2195 c1cncc(c1)OCc2cccnn2 7a_100000210849_100016990269 [0,0,0,0,0,0|3,0,0]=3 216 B15R2.2195 c1cncc(c1)OCc2ccncc2 7a_100000210849_100015193705 [0,0,0,0,0,0|3,0,0]=3 217 B15R2.2195 c1cncc(c1)OCc2cnccn2 34a_100000210849_100016995436 [0,0,0,0,0,0|3,0,0]=3 218 B15R2.2195 c1cncc(c1)OCc2cnccn2 7a_100000210849_100016995436 [0,0,0,0,0,0|3,0,0]=3 219 B15R2.2195 c1cncc(c1)OCc2cncnc2 34a_100000210849_100015196519 [0,0,0,0,0,0|3,0,0]=3 220 B15R2.2195 c1cncc(c1)OCc2cncnc2 7a_100000210849_100015196519 [0,0,0,0,0,0|3,0,0]=3 221 B15R2.2195 c1cncc(c1)SCc2cccnn2 62a_100000210063_100016990269 [0,0,0,0,0,0|3,0,0]=3 222 B15R2.2195 c1cncc(c1)SCc2cccnn2 62a_100016990269_100000210063 [0,0,0,0,0,0|3,0,0]=3 223 B15R2.2195 c1cncc(c1)SCc2ccncc2 62a_100000210063_100015193705 [0,0,0,0,0,0|3,0,0]=3 224 B15R2.2195 c1cncc(c1)SCc2ccncc2 62a_100015193705_100000210063 [0,0,0,0,0,0|3,0,0]=3 225 B15R2.2195 c1cncc(c1)SCc2cnccn2 62a_100000210063_100016995436 [0,0,0,0,0,0|3,0,0]=3 226 B15R2.2195 c1cncc(c1)SCc2cnccn2 62a_100016995436_100000210063 [0,0,0,0,0,0|3,0,0]=3 227 B15R2.2195 c1cncc(c1)SCc2cncnc2 62a_100000210063_100015196519 [0,0,0,0,0,0|3,0,0]=3 228 B15R2.2195 c1cncc(c1)SCc2cncnc2 62a_100015196519_100000210063 [0,0,0,0,0,0|3,0,0]=3 229 B15R2.2195 c1cnnc(c1)CNc2cccnn2 27a_100159270163_100016991348 [0,0,0,0,0,0|3,0,0]=3 230 B15R2.2195 c1cnnc(c1)CNc2ccncn2 27a_100159270163_100000703185 [0,0,0,0,0,0|3,0,0]=3 231 B15R2.2195 c1cnnc(c1)CNc2cnccn2 27a_100159270163_100000211759 [0,0,0,0,0,0|3,0,0]=3 232 B15R2.2195 c1cnnc(c1)COc2ccncc2 34a_100000212176_100016990269 [0,0,0,0,0,0|3,0,0]=3 233 B15R2.2195 c1cnnc(c1)COc2ccnnc2 34a_100015204005_100016990269 [0,0,0,0,0,0|4,0,0]=4 234 B15R2.2195 c1cnnc(c1)COc2cncnc2 7a_100000754086_100016990269 [0,0,0,0,0,0|4,0,0]=4 235 B15R2.2195 c1cnnc(c1)CSc2cccnn2 62a_100016990269_100016991348 [0,0,0,0,0,0|4,0,0]=4 236 B15R2.2195 c1cnnc(c1)CSc2cccnn2 62a_100016991348_100016990269 [0,0,0,0,0,0|4,0,0]=4 237 B15R2.2195 c1cnnc(c1)CSc2ccncc2 62a_100000728582_100016990269 [0,0,0,0,0,0|3,0,0]=3 238 B15R2.2195 c1cnnc(c1)CSc2ccncc2 62a_100016990269_100000728582 [0,0,0,0,0,0|3,0,0]=3 239 B15R2.2195 c1cnnc(c1)CSc2ccncn2 62a_100000703185_100016990269 [0,0,0,0,0,0|4,0,0]=4 240 B15R2.2195 c1cnnc(c1)CSc2ccncn2 62a_100016990269_100000703185 [0,0,0,0,0,0|4,0,0]=4 241 B15R2.2195 c1cnnc(c1)CSc2ccnnc2 62a_100000732662_100016990269 [0,0,0,0,0,0|4,0,0]=4 242 B15R2.2195 c1cnnc(c1)CSc2ccnnc2 62a_100016990269_100000732662 [0,0,0,0,0,0|4,0,0]=4 243 B15R2.2195 c1cnnc(c1)CSc2cnccn2 62a_100000211759_100016990269 [0,0,0,0,0,0|4,0,0]=4 244 B15R2.2195 c1cnnc(c1)CSc2cnccn2 62a_100016990269_100000211759 [0,0,0,0,0,0|4,0,0]=4 245 B15R2.2195 c1cnnc(c1)CSc2cncnc2 62a_100011206942_100016990269 [0,0,0,0,0,0|4,0,0]=4 246 B15R2.2195 c1cnnc(c1)CSc2cncnc2 62a_100016990269_100011206942 [0,0,0,0,0,0|4,0,0]=4 247 B15R2.2195 c1cnnc(c1)NCc2ccncc2 27a_100000210450_100016991348 [0,0,0,0,0,0|4,0,0]=4 248 B15R2.2195 c1cnnc(c1)NCc2cnccn2 27a_100000737960_100016991348 [0,0,0,0,0,0|3,0,0]=3 249 B15R2.2195 c1cnnc(c1)NCc2cncnc2 27a_100011243677_100016991348 [0,0,0,0,0,0|3,0,0]=3 250 B15R2.2195 c1cnnc(c1)SCc2ccncc2 62a_100015193705_100016991348 [0,0,0,0,0,0|4,0,0]=4 251 B15R2.2195 c1cnnc(c1)SCc2ccncc2 62a_100016991348_100015193705 [0,0,0,0,0,0|4,0,0]=4 252 B15R2.2195 c1cnnc(c1)SCc2cnccn2 62a_100016991348_100016995436 [0,0,0,0,0,0|4,0,0]=4 253 B15R2.2195 c1cnnc(c1)SCc2cnccn2 62a_100016995436_100016991348 [0,0,0,0,0,0|4,0,0]=4 254 B15R2.2195 c1cnnc(c1)SCc2cncnc2 62a_100015196519_100016991348 [0,0,0,0,0,0|4,0,0]=4 255 B15R2.2195 c1cnnc(c1)SCc2cncnc2 62a_100016991348_100015196519 [0,0,0,0,0,0|4,0,0]=4 256 B15R2.2195 c1ncc(cn1)COc2ccnnc2 34a_100015204005_100015196519 [0,0,0,0,0,0|4,0,0]=4 257 B15R2.2195 c1ncc(cn1)COc2cncnc2 7a_100000754086_100015196519 [0,0,0,0,0,0|4,0,0]=4 258 B15R2.2195 c1ncc(cn1)CSc2ccnnc2 62a_100000732662_100015196519 [0,0,0,0,0,0|4,0,0]=4 259 B15R2.2195 c1ncc(cn1)CSc2ccnnc2 62a_100015196519_100000732662 [0,0,0,0,0,0|4,0,0]=4 260 B15R2.2195 c1ncc(cn1)CSc2cncnc2 62a_100011206942_100015196519 [0,0,0,0,0,0|4,0,0]=4 261 B15R2.2195 c1ncc(cn1)CSc2cncnc2 62a_100015196519_100011206942 [0,0,0,0,0,0|4,0,0]=4 262 B16R2.71 Brc1ccccc1C#Cc2ccccc2 271570a_100000069678_100000695589 [0,1,0,0,0,0|2,0,1]=4 263 B16R2.71 Brc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000695589 [0,1,0,0,0,0|2,0,1]=4 264 B16R2.71 Brc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000695589 [0,1,0,0,0,0|1,0,1]=3 265 B16R2.71 Brc1ccccc1CNc2ccccc2 207a_100000106764_100000211189 [0,1,0,0,0,0|1,0,0]=2 266 B16R2.71 Brc1ccccc1CNc2ccccc2 270302a_100000106764_100000211189 [0,1,0,0,0,0|1,0,0]=2 267 B16R2.71 Brc1ccccc1CNc2ccccc2 34a_100000106764_100000184730 [0,1,0,0,0,0|1,0,0]=2 268 B16R2.71 Brc1ccccc1CNc2cccnn2 27a_100000689332_100016991348 [0,1,0,0,0,0|3,0,0]=4 269 B16R2.71 Brc1ccccc1CNc2ccncn2 27a_100000689332_100000703185 [0,1,0,0,0,0|3,0,0]=4 270 B16R2.71 Brc1ccccc1CNc2cnccn2 27a_100000689332_100000211759 [0,1,0,0,0,0|3,0,0]=4 271 B16R2.71 Brc1ccccc1CNc2ncccn2 27a_100000689332_100000211032 [0,1,0,0,0,0|3,0,0]=4 272 B16R2.71 Brc1ccccc1COc2ccccc2 34a_100000210340_100000184730 [0,1,0,0,0,0|2,0,0]=3 273 B16R2.71 Brc1ccccc1COc2ccccc2 7a_100000210340_100000184730 [0,1,0,0,0,0|2,0,0]=3 274 B16R2.71 Brc1ccccc1COc2cccnc2 34a_100000210849_100000184730 [0,1,0,0,0,0|2,0,0]=3 275 B16R2.71 Brc1ccccc1COc2cccnc2 7a_100000210849_100000184730 [0,1,0,0,0,0|2,0,0]=3 276 B16R2.71 Brc1ccccc1COc2ccncc2 34a_100000212176_100000184730 [0,1,0,0,0,0|3,0,0]=4 277 B16R2.71 Brc1ccccc1COc2ccnnc2 34a_100015204005_100000184730 [0,1,0,0,0,0|3,0,0]=4 278 B16R2.71 Brc1ccccc1COc2cncnc2 7a_100000754086_100000184730 [0,1,0,0,0,0|3,0,0]=4 279 B16R2.71 Brc1ccccc1CSc2ccccc2 62a_100000184730_100000041952 [0,1,0,0,0,0|2,0,0]=3 280 B16R2.71 Brc1ccccc1CSc2ccccc2 62a_100000719477_100000184730 [0,1,0,0,0,0|2,0,0]=3 281 B16R2.71 Brc1ccccc1CSc2ccccn2 62a_100000184730_100011216584 [0,1,0,0,0,0|3,0,0]=4 282 B16R2.71 Brc1ccccc1CSc2ccccn2 62a_100011216584_100000184730 [0,1,0,0,0,0|3,0,0]=4 283 B16R2.71 Brc1ccccc1CSc2cccnc2 62a_100000184730_100000210063 [0,1,0,0,0,0|2,0,0]=3 284 B16R2.71 Brc1ccccc1CSc2cccnc2 62a_100000210063_100000184730 [0,1,0,0,0,0|2,0,0]=3 285 B16R2.71 Brc1ccccc1CSc2cccnn2 62a_100000184730_100016991348 [0,1,0,0,0,0|3,0,0]=4 286 B16R2.71 Brc1ccccc1CSc2cccnn2 62a_100016991348_100000184730 [0,1,0,0,0,0|3,0,0]=4 287 B16R2.71 Brc1ccccc1CSc2ccncc2 62a_100000184730_100000728582 [0,1,0,0,0,0|3,0,0]=4 288 B16R2.71 Brc1ccccc1CSc2ccncc2 62a_100000728582_100000184730 [0,1,0,0,0,0|3,0,0]=4 289 B16R2.71 Brc1ccccc1CSc2ccnnc2 62a_100000184730_100000732662 [0,1,0,0,0,0|3,0,0]=4 290 B16R2.71 Brc1ccccc1CSc2ccnnc2 62a_100000732662_100000184730 [0,1,0,0,0,0|3,0,0]=4 291 B16R2.71 Brc1ccccc1CSc2cnccn2 62a_100000184730_100000211759 [0,1,0,0,0,0|3,0,0]=4 292 B16R2.71 Brc1ccccc1CSc2cnccn2 62a_100000211759_100000184730 [0,1,0,0,0,0|3,0,0]=4 293 B16R2.71 Brc1ccccc1CSc2cncnc2 62a_100000184730_100011206942 [0,1,0,0,0,0|3,0,0]=4 294 B16R2.71 Brc1ccccc1CSc2cncnc2 62a_100011206942_100000184730 [0,1,0,0,0,0|3,0,0]=4 295 B16R2.71 Brc1ccccc1NCc2ccccc2 207a_100000210017_100015611070 [0,1,0,0,0,0|1,0,0]=2 296 B16R2.71 Brc1ccccc1NCc2ccccc2 34a_100000210017_100015291786 [0,1,0,0,0,0|1,0,0]=2 297 B16R2.71 Brc1ccccc1NCc2ccccn2 207a_100000210017_100000209966 [0,1,0,0,0,0|2,0,0]=3 298 B16R2.71 Brc1ccccc1NCc2ccccn2 34a_100000210017_100000721315 [0,1,0,0,0,0|2,0,0]=3 299 B16R2.71 Brc1ccccc1NCc2cccnc2 207a_100000210017_100000209961 [0,1,0,0,0,0|0,0,0]=1 300 B16R2.71 Brc1ccccc1NCc2cccnc2 34a_100000210017_100000733263 [0,1,0,0,0,0|0,0,0]=1 301 B16R2.71 Brc1ccccc1NCc2cccnn2 34a_100000210017_100016990269 [0,1,0,0,0,0|1,0,0]=2 302 B16R2.71 Brc1ccccc1NCc2ccncc2 207a_100000210017_100000186114 [0,1,0,0,0,0|2,0,0]=3 303 B16R2.71 Brc1ccccc1NCc2cnccn2 34a_100000210017_100016995436 [0,1,0,0,0,0|1,0,0]=2 304 B16R2.71 Brc1ccccc1NCc2cncnc2 34a_100000210017_100015196519 [0,1,0,0,0,0|1,0,0]=2 305 B16R2.71 Brc1ccccc1NCc2ncccn2 34a_100000210017_100000703007 [0,1,0,0,0,0|3,0,0]=4 306 B16R2.71 Brc1ccccc1OCc2ccccc2 34a_100000181306_100015291786 [0,1,0,0,0,0|2,0,0]=3 307 B16R2.71 Brc1ccccc1OCc2ccccc2 7a_100000181306_100000211182 [0,1,0,0,0,0|2,0,0]=3 308 B16R2.71 Brc1ccccc1OCc2ccccn2 34a_100000181306_100000721315 [0,1,0,0,0,0|3,0,0]=4 309 B16R2.71 Brc1ccccc1OCc2ccccn2 7a_100000181306_100000721315 [0,1,0,0,0,0|3,0,0]=4 310 B16R2.71 Brc1ccccc1OCc2cccnc2 34a_100000181306_100000733263 [0,1,0,0,0,0|1,0,0]=2 311 B16R2.71 Brc1ccccc1OCc2cccnc2 7a_100000181306_100000741622 [0,1,0,0,0,0|1,0,0]=2 312 B16R2.71 Brc1ccccc1OCc2cccnn2 34a_100000181306_100016990269 [0,1,0,0,0,0|2,0,0]=3 313 B16R2.71 Brc1ccccc1OCc2cccnn2 7a_100000181306_100016990269 [0,1,0,0,0,0|2,0,0]=3 314 B16R2.71 Brc1ccccc1OCc2ccncc2 7a_100000181306_100015193705 [0,1,0,0,0,0|3,0,0]=4 315 B16R2.71 Brc1ccccc1OCc2cnccn2 34a_100000181306_100016995436 [0,1,0,0,0,0|2,0,0]=3 316 B16R2.71 Brc1ccccc1OCc2cnccn2 7a_100000181306_100016995436 [0,1,0,0,0,0|2,0,0]=3 317 B16R2.71 Brc1ccccc1OCc2cncnc2 34a_100000181306_100015196519 [0,1,0,0,0,0|2,0,0]=3 318 B16R2.71 Brc1ccccc1OCc2cncnc2 7a_100000181306_100015196519 [0,1,0,0,0,0|2,0,0]=3 319 B16R2.71 Brc1ccccc1SCc2ccccc2 62a_100000211182_100000695589 [0,1,0,0,0,0|2,0,0]=3 320 B16R2.71 Brc1ccccc1SCc2ccccc2 62a_100000695589_100015291786 [0,1,0,0,0,0|2,0,0]=3 321 B16R2.71 Brc1ccccc1SCc2ccccn2 62a_100000695589_100000721315 [0,1,0,0,0,0|3,0,0]=4 322 B16R2.71 Brc1ccccc1SCc2ccccn2 62a_100000721315_100000695589 [0,1,0,0,0,0|3,0,0]=4 323 B16R2.71 Brc1ccccc1SCc2cccnc2 62a_100000695589_100000741622 [0,1,0,0,0,0|1,0,0]=2 324 B16R2.71 Brc1ccccc1SCc2cccnc2 62a_100000741622_100000695589 [0,1,0,0,0,0|1,0,0]=2 325 B16R2.71 Brc1ccccc1SCc2cccnn2 62a_100000695589_100016990269 [0,1,0,0,0,0|2,0,0]=3 326 B16R2.71 Brc1ccccc1SCc2cccnn2 62a_100016990269_100000695589 [0,1,0,0,0,0|2,0,0]=3 327 B16R2.71 Brc1ccccc1SCc2ccncc2 62a_100000695589_100015193705 [0,1,0,0,0,0|3,0,0]=4 328 B16R2.71 Brc1ccccc1SCc2ccncc2 62a_100015193705_100000695589 [0,1,0,0,0,0|3,0,0]=4 329 B16R2.71 Brc1ccccc1SCc2cnccn2 62a_100000695589_100016995436 [0,1,0,0,0,0|2,0,0]=3 330 B16R2.71 Brc1ccccc1SCc2cnccn2 62a_100016995436_100000695589 [0,1,0,0,0,0|2,0,0]=3 331 B16R2.71 Brc1ccccc1SCc2cncnc2 62a_100000695589_100015196519 [0,1,0,0,0,0|2,0,0]=3 332 B16R2.71 Brc1ccccc1SCc2cncnc2 62a_100015196519_100000695589 [0,1,0,0,0,0|2,0,0]=3 333 B16R2.71 Brc1cccnc1C=Cc2cccnc2 271570a_100102525586_100000696092 [0,1,0,0,0,0|2,0,1]=4 334 B16R2.71 Brc1cccnc1CNc2ccccc2 207a_100000106764_100011934733 [0,1,0,0,0,0|2,0,0]=3 335 B16R2.71 Brc1cccnc1CNc2ccccc2 34a_100000106764_100025702911 [0,1,0,0,0,0|2,0,0]=3 336 B16R2.71 Brc1cccnc1COc2ccccc2 34a_100000210340_100025702911 [0,1,0,0,0,0|3,0,0]=4 337 B16R2.71 Brc1cccnc1COc2ccccc2 7a_100000210340_100025702911 [0,1,0,0,0,0|3,0,0]=4 338 B16R2.71 Brc1cccnc1COc2cccnc2 34a_100000210849_100025702911 [0,1,0,0,0,0|3,0,0]=4 339 B16R2.71 Brc1cccnc1COc2cccnc2 7a_100000210849_100025702911 [0,1,0,0,0,0|3,0,0]=4 340 B16R2.71 Brc1cccnc1CSc2ccccc2 62a_100000719477_100025702911 [0,1,0,0,0,0|3,0,0]=4 341 B16R2.71 Brc1cccnc1CSc2ccccc2 62a_100025702911_100000041952 [0,1,0,0,0,0|3,0,0]=4 342 B16R2.71 Brc1cccnc1CSc2cccnc2 62a_100000210063_100025702911 [0,1,0,0,0,0|3,0,0]=4 343 B16R2.71 Brc1cccnc1CSc2cccnc2 62a_100025702911_100000210063 [0,1,0,0,0,0|3,0,0]=4 344 B16R2.71 Brc1cccnc1NCc2ccccc2 27a_100015324214_100000696092 [0,1,0,0,0,0|2,0,0]=3 345 B16R2.71 Brc1cccnc1NCc2ccccn2 27a_100000210449_100000696092 [0,1,0,0,0,0|3,0,0]=4 346 B16R2.71 Brc1cccnc1NCc2cccnc2 27a_100000210453_100000696092 [0,1,0,0,0,0|1,0,0]=2 347 B16R2.71 Brc1cccnc1NCc2cccnn2 27a_100159270163_100000696092 [0,1,0,0,0,0|2,0,0]=3 348 B16R2.71 Brc1cccnc1NCc2ccncc2 27a_100000210450_100000696092 [0,1,0,0,0,0|3,0,0]=4 349 B16R2.71 Brc1cccnc1NCc2cnccn2 27a_100000737960_100000696092 [0,1,0,0,0,0|2,0,0]=3 350 B16R2.71 Brc1cccnc1NCc2cncnc2 27a_100011243677_100000696092 [0,1,0,0,0,0|2,0,0]=3 351 B16R2.71 Brc1cccnc1SCc2ccccc2 62a_100000211182_100000696092 [0,1,0,0,0,0|3,0,0]=4 352 B16R2.71 Brc1cccnc1SCc2ccccc2 62a_100000696092_100015291786 [0,1,0,0,0,0|3,0,0]=4 353 B16R2.71 Brc1cccnc1SCc2cccnc2 62a_100000696092_100000741622 [0,1,0,0,0,0|2,0,0]=3 354 B16R2.71 Brc1cccnc1SCc2cccnc2 62a_100000741622_100000696092 [0,1,0,0,0,0|2,0,0]=3 355 B16R2.71 Brc1cccnc1SCc2cccnn2 62a_100000696092_100016990269 [0,1,0,0,0,0|3,0,0]=4 356 B16R2.71 Brc1cccnc1SCc2cccnn2 62a_100016990269_100000696092 [0,1,0,0,0,0|3,0,0]=4 357 B16R2.71 Brc1cccnc1SCc2cnccn2 62a_100000696092_100016995436 [0,1,0,0,0,0|3,0,0]=4 358 B16R2.71 Brc1cccnc1SCc2cnccn2 62a_100016995436_100000696092 [0,1,0,0,0,0|3,0,0]=4 359 B16R2.71 Brc1cccnc1SCc2cncnc2 62a_100000696092_100015196519 [0,1,0,0,0,0|3,0,0]=4 360 B16R2.71 Brc1cccnc1SCc2cncnc2 62a_100015196519_100000696092 [0,1,0,0,0,0|3,0,0]=4 361 B16R2.71 Brc1ccncc1C#Cc2ccccc2 271570a_100000069678_100010138639 [0,1,0,0,0,0|1,0,1]=3 362 B16R2.71 Brc1ccncc1C=Cc2ccccc2 271570a_100102527694_100010138639 [0,1,0,0,0,0|1,0,1]=3 363 B16R2.71 Brc1ccncc1C=Cc2cccnc2 271570a_100102525586_100010138639 [0,1,0,0,0,0|2,0,1]=4 364 B16R2.71 Brc1ccncc1SCc2ccccc2 62a_100000211182_100010138639 [0,1,0,0,0,0|2,0,0]=3 365 B16R2.71 Brc1ccncc1SCc2ccccc2 62a_100010138639_100015291786 [0,1,0,0,0,0|2,0,0]=3 366 B16R2.71 Brc1ccncc1SCc2ccccn2 62a_100000721315_100010138639 [0,1,0,0,0,0|3,0,0]=4 367 B16R2.71 Brc1ccncc1SCc2ccccn2 62a_100010138639_100000721315 [0,1,0,0,0,0|3,0,0]=4 368 B16R2.71 Brc1ccncc1SCc2cccnc2 62a_100000741622_100010138639 [0,1,0,0,0,0|2,0,0]=3 369 B16R2.71 Brc1ccncc1SCc2cccnc2 62a_100010138639_100000741622 [0,1,0,0,0,0|2,0,0]=3 370 B16R2.71 Brc1ccncc1SCc2cccnn2 62a_100010138639_100016990269 [0,1,0,0,0,0|3,0,0]=4 371 B16R2.71 Brc1ccncc1SCc2cccnn2 62a_100016990269_100010138639 [0,1,0,0,0,0|3,0,0]=4 372 B16R2.71 Brc1ccncc1SCc2ccncc2 62a_100010138639_100015193705 [0,1,0,0,0,0|3,0,0]=4 373 B16R2.71 Brc1ccncc1SCc2ccncc2 62a_100015193705_100010138639 [0,1,0,0,0,0|3,0,0]=4 374 B16R2.71 Brc1ccncc1SCc2cnccn2 62a_100010138639_100016995436 [0,1,0,0,0,0|3,0,0]=4 375 B16R2.71 Brc1ccncc1SCc2cnccn2 62a_100016995436_100010138639 [0,1,0,0,0,0|3,0,0]=4 376 B16R2.71 Brc1ccncc1SCc2cncnc2 62a_100010138639_100015196519 [0,1,0,0,0,0|3,0,0]=4 377 B16R2.71 Brc1ccncc1SCc2cncnc2 62a_100015196519_100010138639 [0,1,0,0,0,0|3,0,0]=4 378 B16R2.71 Brc1cnccc1C=Cc2cccnc2 271570a_100102525586_100000726257 [0,1,0,0,0,0|2,0,1]=4 379 B16R2.71 Brc1cnccc1NCc2ccccc2 27a_100015324214_100000726257 [0,1,0,0,0,0|2,0,0]=3 380 B16R2.71 Brc1cnccc1NCc2ccccn2 27a_100000210449_100000726257 [0,1,0,0,0,0|3,0,0]=4 381 B16R2.71 Brc1cnccc1NCc2cccnc2 27a_100000210453_100000726257 [0,1,0,0,0,0|1,0,0]=2 382 B16R2.71 Brc1cnccc1NCc2cccnn2 27a_100159270163_100000726257 [0,1,0,0,0,0|2,0,0]=3 383 B16R2.71 Brc1cnccc1NCc2ccncc2 27a_100000210450_100000726257 [0,1,0,0,0,0|3,0,0]=4 384 B16R2.71 Brc1cnccc1NCc2cnccn2 27a_100000737960_100000726257 [0,1,0,0,0,0|2,0,0]=3 385 B16R2.71 Brc1cnccc1NCc2cncnc2 27a_100011243677_100000726257 [0,1,0,0,0,0|2,0,0]=3 386 B16R2.71 Brc1cnccc1OCc2ccccc2 34a_100011996408_100015291786 [0,1,0,0,0,0|3,0,0]=4 387 B16R2.71 Brc1cnccc1OCc2cccnc2 34a_100011996408_100000733263 [0,1,0,0,0,0|2,0,0]=3 388 B16R2.71 Brc1cnccc1OCc2cccnn2 34a_100011996408_100016990269 [0,1,0,0,0,0|3,0,0]=4 389 B16R2.71 Brc1cnccc1OCc2cnccn2 34a_100011996408_100016995436 [0,1,0,0,0,0|3,0,0]=4 390 B16R2.71 Brc1cnccc1OCc2cncnc2 34a_100011996408_100015196519 [0,1,0,0,0,0|3,0,0]=4 391 B16R2.71 Brc1cnccc1SCc2ccccc2 62a_100000211182_100000726257 [0,1,0,0,0,0|3,0,0]=4 392 B16R2.71 Brc1cnccc1SCc2ccccc2 62a_100000726257_100015291786 [0,1,0,0,0,0|3,0,0]=4 393 B16R2.71 Brc1cnccc1SCc2cccnc2 62a_100000726257_100000741622 [0,1,0,0,0,0|2,0,0]=3 394 B16R2.71 Brc1cnccc1SCc2cccnc2 62a_100000741622_100000726257 [0,1,0,0,0,0|2,0,0]=3 395 B16R2.71 Brc1cnccc1SCc2cccnn2 62a_100000726257_100016990269 [0,1,0,0,0,0|3,0,0]=4 396 B16R2.71 Brc1cnccc1SCc2cccnn2 62a_100016990269_100000726257 [0,1,0,0,0,0|3,0,0]=4 397 B16R2.71 Brc1cnccc1SCc2cnccn2 62a_100000726257_100016995436 [0,1,0,0,0,0|3,0,0]=4 398 B16R2.71 Brc1cnccc1SCc2cnccn2 62a_100016995436_100000726257 [0,1,0,0,0,0|3,0,0]=4 399 B16R2.71 Brc1cnccc1SCc2cncnc2 62a_100000726257_100015196519 [0,1,0,0,0,0|3,0,0]=4 400 B16R2.71 Brc1cnccc1SCc2cncnc2 62a_100015196519_100000726257 [0,1,0,0,0,0|3,0,0]=4 401 B16R2.71 Brc1ncccc1C#Cc2ccccc2 271570a_100000069678_100010202626 [0,1,0,0,0,0|1,0,1]=3 402 B16R2.71 Brc1ncccc1C=Cc2ccccc2 271570a_100102527694_100010202626 [0,1,0,0,0,0|1,0,1]=3 403 B16R2.71 Brc1ncccc1C=Cc2cccnc2 271570a_100102525586_100010202626 [0,1,0,0,0,0|2,0,1]=4 404 B16R2.71 Brc1ncccc1CNc2ccccc2 34a_100000106764_100010140945 [0,1,0,0,0,0|0,0,0]=1 405 B16R2.71 Brc1ncccc1CNc2cccnn2 27a_100009818023_100016991348 [0,1,0,0,0,0|2,0,0]=3 406 B16R2.71 Brc1ncccc1CNc2ccncn2 27a_100009818023_100000703185 [0,1,0,0,0,0|2,0,0]=3 407 B16R2.71 Brc1ncccc1CNc2cnccn2 27a_100009818023_100000211759 [0,1,0,0,0,0|2,0,0]=3 408 B16R2.71 Brc1ncccc1CNc2ncccn2 27a_100009818023_100000211032 [0,1,0,0,0,0|2,0,0]=3 409 B16R2.71 Brc1ncccc1COc2ccccc2 34a_100000210340_100010140945 [0,1,0,0,0,0|1,0,0]=2 410 B16R2.71 Brc1ncccc1COc2ccccc2 7a_100000210340_100010140945 [0,1,0,0,0,0|1,0,0]=2 411 B16R2.71 Brc1ncccc1COc2cccnc2 34a_100000210849_100010140945 [0,1,0,0,0,0|2,0,0]=3 412 B16R2.71 Brc1ncccc1COc2cccnc2 7a_100000210849_100010140945 [0,1,0,0,0,0|2,0,0]=3 413 B16R2.71 Brc1ncccc1COc2ccncc2 34a_100000212176_100010140945 [0,1,0,0,0,0|2,0,0]=3 414 B16R2.71 Brc1ncccc1COc2ccnnc2 34a_100015204005_100010140945 [0,1,0,0,0,0|3,0,0]=4 415 B16R2.71 Brc1ncccc1COc2cncnc2 7a_100000754086_100010140945 [0,1,0,0,0,0|3,0,0]=4 416 B16R2.71 Brc1ncccc1CSc2ccccc2 62a_100000719477_100010140945 [0,1,0,0,0,0|1,0,0]=2 417 B16R2.71 Brc1ncccc1CSc2ccccc2 62a_100010140945_100000041952 [0,1,0,0,0,0|1,0,0]=2 418 B16R2.71 Brc1ncccc1CSc2ccccn2 62a_100010140945_100011216584 [0,1,0,0,0,0|2,0,0]=3 419 B16R2.71 Brc1ncccc1CSc2ccccn2 62a_100011216584_100010140945 [0,1,0,0,0,0|2,0,0]=3 420 B16R2.71 Brc1ncccc1CSc2cccnc2 62a_100000210063_100010140945 [0,1,0,0,0,0|2,0,0]=3 421 B16R2.71 Brc1ncccc1CSc2cccnc2 62a_100010140945_100000210063 [0,1,0,0,0,0|2,0,0]=3 422 B16R2.71 Brc1ncccc1CSc2cccnn2 62a_100010140945_100016991348 [0,1,0,0,0,0|3,0,0]=4 423 B16R2.71 Brc1ncccc1CSc2cccnn2 62a_100016991348_100010140945 [0,1,0,0,0,0|3,0,0]=4 424 B16R2.71 Brc1ncccc1CSc2ccncc2 62a_100000728582_100010140945 [0,1,0,0,0,0|2,0,0]=3 425 B16R2.71 Brc1ncccc1CSc2ccncc2 62a_100010140945_100000728582 [0,1,0,0,0,0|2,0,0]=3 426 B16R2.71 Brc1ncccc1CSc2ccncn2 62a_100000703185_100010140945 [0,1,0,0,0,0|3,0,0]=4 427 B16R2.71 Brc1ncccc1CSc2ccncn2 62a_100010140945_100000703185 [0,1,0,0,0,0|3,0,0]=4 428 B16R2.71 Brc1ncccc1CSc2ccnnc2 62a_100000732662_100010140945 [0,1,0,0,0,0|3,0,0]=4 429 B16R2.71 Brc1ncccc1CSc2ccnnc2 62a_100010140945_100000732662 [0,1,0,0,0,0|3,0,0]=4 430 B16R2.71 Brc1ncccc1CSc2cnccn2 62a_100000211759_100010140945 [0,1,0,0,0,0|3,0,0]=4 431 B16R2.71 Brc1ncccc1CSc2cnccn2 62a_100010140945_100000211759 [0,1,0,0,0,0|3,0,0]=4 432 B16R2.71 Brc1ncccc1CSc2cncnc2 62a_100010140945_100011206942 [0,1,0,0,0,0|3,0,0]=4 433 B16R2.71 Brc1ncccc1CSc2cncnc2 62a_100011206942_100010140945 [0,1,0,0,0,0|3,0,0]=4 434 B16R2.71 Brc1ncccc1CSc2ncccn2 62a_100000211032_100010140945 [0,1,0,0,0,0|3,0,0]=4 435 B16R2.71 Brc1ncccc1CSc2ncccn2 62a_100010140945_100000211032 [0,1,0,0,0,0|3,0,0]=4 436 B16R2.71 Brc1ncccc1OCc2ccccc2 34a_100000744436_100015291786 [0,1,0,0,0,0|2,0,0]=3 437 B16R2.71 Brc1ncccc1OCc2ccccc2 7a_100000744436_100000211182 [0,1,0,0,0,0|2,0,0]=3 438 B16R2.71 Brc1ncccc1OCc2ccccn2 34a_100000744436_100000721315 [0,1,0,0,0,0|3,0,0]=4 439 B16R2.71 Brc1ncccc1OCc2ccccn2 7a_100000744436_100000721315 [0,1,0,0,0,0|3,0,0]=4 440 B16R2.71 Brc1ncccc1OCc2cccnc2 34a_100000744436_100000733263 [0,1,0,0,0,0|2,0,0]=3 441 B16R2.71 Brc1ncccc1OCc2cccnc2 7a_100000744436_100000741622 [0,1,0,0,0,0|2,0,0]=3 442 B16R2.71 Brc1ncccc1OCc2cccnn2 34a_100000744436_100016990269 [0,1,0,0,0,0|3,0,0]=4 443 B16R2.71 Brc1ncccc1OCc2cccnn2 7a_100000744436_100016990269 [0,1,0,0,0,0|3,0,0]=4 444 B16R2.71 Brc1ncccc1OCc2ccncc2 7a_100000744436_100015193705 [0,1,0,0,0,0|3,0,0]=4 445 B16R2.71 Brc1ncccc1OCc2cnccn2 34a_100000744436_100016995436 [0,1,0,0,0,0|3,0,0]=4 446 B16R2.71 Brc1ncccc1OCc2cnccn2 7a_100000744436_100016995436 [0,1,0,0,0,0|3,0,0]=4 447 B16R2.71 Brc1ncccc1OCc2cncnc2 34a_100000744436_100015196519 [0,1,0,0,0,0|3,0,0]=4 448 B16R2.71 Brc1ncccc1OCc2cncnc2 7a_100000744436_100015196519 [0,1,0,0,0,0|3,0,0]=4 449 B16R2.71 Brc1ncccc1SCc2ccccc2 62a_100000211182_100010202626 [0,1,0,0,0,0|2,0,0]=3 450 B16R2.71 Brc1ncccc1SCc2ccccc2 62a_100010202626_100015291786 [0,1,0,0,0,0|2,0,0]=3 451 B16R2.71 Brc1ncccc1SCc2ccccn2 62a_100000721315_100010202626 [0,1,0,0,0,0|3,0,0]=4 452 B16R2.71 Brc1ncccc1SCc2ccccn2 62a_100010202626_100000721315 [0,1,0,0,0,0|3,0,0]=4 453 B16R2.71 Brc1ncccc1SCc2cccnc2 62a_100000741622_100010202626 [0,1,0,0,0,0|2,0,0]=3 454 B16R2.71 Brc1ncccc1SCc2cccnc2 62a_100010202626_100000741622 [0,1,0,0,0,0|2,0,0]=3 455 B16R2.71 Brc1ncccc1SCc2cccnn2 62a_100010202626_100016990269 [0,1,0,0,0,0|3,0,0]=4 456 B16R2.71 Brc1ncccc1SCc2cccnn2 62a_100016990269_100010202626 [0,1,0,0,0,0|3,0,0]=4 457 B16R2.71 Brc1ncccc1SCc2ccncc2 62a_100010202626_100015193705 [0,1,0,0,0,0|3,0,0]=4 458 B16R2.71 Brc1ncccc1SCc2ccncc2 62a_100015193705_100010202626 [0,1,0,0,0,0|3,0,0]=4 459 B16R2.71 Brc1ncccc1SCc2cnccn2 62a_100010202626_100016995436 [0,1,0,0,0,0|3,0,0]=4 460 B16R2.71 Brc1ncccc1SCc2cnccn2 62a_100016995436_100010202626 [0,1,0,0,0,0|3,0,0]=4 461 B16R2.71 Brc1ncccc1SCc2cncnc2 62a_100010202626_100015196519 [0,1,0,0,0,0|3,0,0]=4 462 B16R2.71 Brc1ncccc1SCc2cncnc2 62a_100015196519_100010202626 [0,1,0,0,0,0|3,0,0]=4 463 B16R2.71 Brc1ncncc1C#Cc2ccccc2 271570a_100000069678_200012461658 [0,1,0,0,0,0|2,0,1]=4 464 B16R2.71 Brc1ncncc1C=Cc2ccccc2 271570a_100102527694_200012461658 [0,1,0,0,0,0|2,0,1]=4 465 B16R2.71 Brc1ncncc1SCc2ccccc2 62a_100000211182_200012461658 [0,1,0,0,0,0|3,0,0]=4 466 B16R2.71 Brc1ncncc1SCc2ccccc2 62a_200012461658_100015291786 [0,1,0,0,0,0|3,0,0]=4 467 B16R2.71 Brc1ncncc1SCc2cccnc2 62a_100000741622_200012461658 [0,1,0,0,0,0|3,0,0]=4 468 B16R2.71 Brc1ncncc1SCc2cccnc2 62a_200012461658_100000741622 [0,1,0,0,0,0|3,0,0]=4 469 B16R2.71 C[n+]1ccccc1C=Cc2cccnc2 271570a_100102525586_100000212160 [0,1,0,0,0,0|2,0,1]=4 470 B16R2.71 C[n+]1ccccc1SCc2ccccc2 62a_100000211182_100000212160 [0,1,0,0,0,0|3,0,0]=4 471 B16R2.71 C[n+]1ccccc1SCc2cccnc2 62a_100000741622_100000212160 [0,1,0,0,0,0|2,0,0]=3 472 B16R2.71 C[n+]1ccccc1SCc2cccnn2 62a_100016990269_100000212160 [0,1,0,0,0,0|3,0,0]=4 473 B16R2.71 C[n+]1ccccc1SCc2cnccn2 62a_100016995436_100000212160 [0,1,0,0,0,0|3,0,0]=4 474 B16R2.71 C[n+]1ccccc1SCc2cncnc2 62a_100015196519_100000212160 [0,1,0,0,0,0|3,0,0]=4 475 B16R2.71 Cc1ccccc1C#Cc2ccccc2 271570a_100000069678_100000210755 [0,1,0,0,0,0|2,0,1]=4 476 B16R2.71 Cc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000210755 [0,1,0,0,0,0|2,0,1]=4 477 B16R2.71 Cc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000210755 [0,1,0,0,0,0|1,0,1]=3 478 B16R2.71 Cc1ccccc1CNc2ccccc2 207a_100000106764_100000211143 [0,1,0,0,0,0|1,0,0]=2 479 B16R2.71 Cc1ccccc1CNc2ccccc2 270302a_100000106764_100000211143 [0,1,0,0,0,0|1,0,0]=2 480 B16R2.71 Cc1ccccc1CNc2ccccc2 34a_100000106764_100000211839 [0,1,0,0,0,0|1,0,0]=2 481 B16R2.71 Cc1ccccc1CNc2cccnn2 27a_100000174972_100016991348 [0,1,0,0,0,0|3,0,0]=4 482 B16R2.71 Cc1ccccc1CNc2ccncn2 27a_100000174972_100000703185 [0,1,0,0,0,0|3,0,0]=4 483 B16R2.71 Cc1ccccc1CNc2cnccn2 27a_100000174972_100000211759 [0,1,0,0,0,0|3,0,0]=4 484 B16R2.71 Cc1ccccc1CNc2ncccn2 27a_100000174972_100000211032 [0,1,0,0,0,0|3,0,0]=4 485 B16R2.71 Cc1ccccc1COc2ccccc2 34a_100000210340_100000211839 [0,1,0,0,0,0|2,0,0]=3 486 B16R2.71 Cc1ccccc1COc2ccccc2 7a_100000210340_100000211839 [0,1,0,0,0,0|2,0,0]=3 487 B16R2.71 Cc1ccccc1COc2cccnc2 34a_100000210849_100000211839 [0,1,0,0,0,0|2,0,0]=3 488 B16R2.71 Cc1ccccc1COc2cccnc2 7a_100000210849_100000211839 [0,1,0,0,0,0|2,0,0]=3 489 B16R2.71 Cc1ccccc1COc2ccncc2 34a_100000212176_100000211839 [0,1,0,0,0,0|3,0,0]=4 490 B16R2.71 Cc1ccccc1COc2ccnnc2 34a_100015204005_100000211839 [0,1,0,0,0,0|3,0,0]=4 491 B16R2.71 Cc1ccccc1COc2cncnc2 7a_100000754086_100000211839 [0,1,0,0,0,0|3,0,0]=4 492 B16R2.71 Cc1ccccc1CSc2ccccc2 62a_100000211839_100000041952 [0,1,0,0,0,0|2,0,0]=3 493 B16R2.71 Cc1ccccc1CSc2ccccc2 62a_100000719477_100000211839 [0,1,0,0,0,0|2,0,0]=3 494 B16R2.71 Cc1ccccc1CSc2ccccn2 62a_100000211839_100011216584 [0,1,0,0,0,0|3,0,0]=4 495 B16R2.71 Cc1ccccc1CSc2ccccn2 62a_100011216584_100000211839 [0,1,0,0,0,0|3,0,0]=4 496 B16R2.71 Cc1ccccc1CSc2cccnc2 62a_100000210063_100000211839 [0,1,0,0,0,0|2,0,0]=3 497 B16R2.71 Cc1ccccc1CSc2cccnc2 62a_100000211839_100000210063 [0,1,0,0,0,0|2,0,0]=3 498 B16R2.71 Cc1ccccc1CSc2cccnn2 62a_100000211839_100016991348 [0,1,0,0,0,0|3,0,0]=4 499 B16R2.71 Cc1ccccc1CSc2cccnn2 62a_100016991348_100000211839 [0,1,0,0,0,0|3,0,0]=4 500 B16R2.71 Cc1ccccc1CSc2ccncc2 62a_100000211839_100000728582 [0,1,0,0,0,0|3,0,0]=4 501 B16R2.71 Cc1ccccc1CSc2ccncc2 62a_100000728582_100000211839 [0,1,0,0,0,0|3,0,0]=4 502 B16R2.71 Cc1ccccc1CSc2ccnnc2 62a_100000211839_100000732662 [0,1,0,0,0,0|3,0,0]=4 503 B16R2.71 Cc1ccccc1CSc2ccnnc2 62a_100000732662_100000211839 [0,1,0,0,0,0|3,0,0]=4 504 B16R2.71 Cc1ccccc1CSc2cnccn2 62a_100000211759_100000211839 [0,1,0,0,0,0|3,0,0]=4 505 B16R2.71 Cc1ccccc1CSc2cnccn2 62a_100000211839_100000211759 [0,1,0,0,0,0|3,0,0]=4 506 B16R2.71 Cc1ccccc1CSc2cncnc2 62a_100000211839_100011206942 [0,1,0,0,0,0|3,0,0]=4 507 B16R2.71 Cc1ccccc1CSc2cncnc2 62a_100011206942_100000211839 [0,1,0,0,0,0|3,0,0]=4 508 B16R2.71 Cc1ccccc1NCc2ccccc2 207a_100015192222_100015611070 [0,1,0,0,0,0|1,0,0]=2 509 B16R2.71 Cc1ccccc1NCc2ccccc2 270302a_100015192222_100015611070 [0,1,0,0,0,0|1,0,0]=2 510 B16R2.71 Cc1ccccc1NCc2ccccc2 34a_100015192222_100015291786 [0,1,0,0,0,0|1,0,0]=2 511 B16R2.71 Cc1ccccc1NCc2ccccn2 207a_100015192222_100000209966 [0,1,0,0,0,0|2,0,0]=3 512 B16R2.71 Cc1ccccc1NCc2ccccn2 270302a_100015192222_100000209966 [0,1,0,0,0,0|2,0,0]=3 513 B16R2.71 Cc1ccccc1NCc2ccccn2 34a_100015192222_100000721315 [0,1,0,0,0,0|2,0,0]=3 514 B16R2.71 Cc1ccccc1NCc2cccnc2 207a_100015192222_100000209961 [0,1,0,0,0,0|0,0,0]=1 515 B16R2.71 Cc1ccccc1NCc2cccnc2 270302a_100015192222_100000209961 [0,1,0,0,0,0|0,0,0]=1 516 B16R2.71 Cc1ccccc1NCc2cccnc2 34a_100015192222_100000733263 [0,1,0,0,0,0|0,0,0]=1 517 B16R2.71 Cc1ccccc1NCc2cccnn2 34a_100015192222_100016990269 [0,1,0,0,0,0|1,0,0]=2 518 B16R2.71 Cc1ccccc1NCc2ccncc2 207a_100015192222_100000186114 [0,1,0,0,0,0|2,0,0]=3 519 B16R2.71 Cc1ccccc1NCc2ccnnc2 270302a_100015192222_100011934578 [0,1,0,0,0,0|1,0,0]=2 520 B16R2.71 Cc1ccccc1NCc2cnccn2 34a_100015192222_100016995436 [0,1,0,0,0,0|1,0,0]=2 521 B16R2.71 Cc1ccccc1NCc2cncnc2 270302a_100015192222_100000749868 [0,1,0,0,0,0|1,0,0]=2 522 B16R2.71 Cc1ccccc1NCc2cncnc2 34a_100015192222_100015196519 [0,1,0,0,0,0|1,0,0]=2 523 B16R2.71 Cc1ccccc1NCc2ncccn2 34a_100015192222_100000703007 [0,1,0,0,0,0|3,0,0]=4 524 B16R2.71 Cc1ccccc1OCc2ccccc2 34a_100000210338_100015291786 [0,1,0,0,0,0|2,0,0]=3 525 B16R2.71 Cc1ccccc1OCc2ccccc2 7a_100000210338_100000211182 [0,1,0,0,0,0|2,0,0]=3 526 B16R2.71 Cc1ccccc1OCc2ccccn2 34a_100000210338_100000721315 [0,1,0,0,0,0|3,0,0]=4 527 B16R2.71 Cc1ccccc1OCc2ccccn2 7a_100000210338_100000721315 [0,1,0,0,0,0|3,0,0]=4 528 B16R2.71 Cc1ccccc1OCc2cccnc2 34a_100000210338_100000733263 [0,1,0,0,0,0|1,0,0]=2 529 B16R2.71 Cc1ccccc1OCc2cccnc2 7a_100000210338_100000741622 [0,1,0,0,0,0|1,0,0]=2 530 B16R2.71 Cc1ccccc1OCc2cccnn2 34a_100000210338_100016990269 [0,1,0,0,0,0|2,0,0]=3 531 B16R2.71 Cc1ccccc1OCc2cccnn2 7a_100000210338_100016990269 [0,1,0,0,0,0|2,0,0]=3 532 B16R2.71 Cc1ccccc1OCc2ccncc2 7a_100000210338_100015193705 [0,1,0,0,0,0|3,0,0]=4 533 B16R2.71 Cc1ccccc1OCc2cnccn2 34a_100000210338_100016995436 [0,1,0,0,0,0|2,0,0]=3 534 B16R2.71 Cc1ccccc1OCc2cnccn2 7a_100000210338_100016995436 [0,1,0,0,0,0|2,0,0]=3 535 B16R2.71 Cc1ccccc1OCc2cncnc2 34a_100000210338_100015196519 [0,1,0,0,0,0|2,0,0]=3 536 B16R2.71 Cc1ccccc1OCc2cncnc2 7a_100000210338_100015196519 [0,1,0,0,0,0|2,0,0]=3 537 B16R2.71 Cc1ccccc1SCc2ccccc2 62a_100000210755_100015291786 [0,1,0,0,0,0|2,0,0]=3 538 B16R2.71 Cc1ccccc1SCc2ccccc2 62a_100000211182_100000210755 [0,1,0,0,0,0|2,0,0]=3 539 B16R2.71 Cc1ccccc1SCc2ccccn2 62a_100000210755_100000721315 [0,1,0,0,0,0|3,0,0]=4 540 B16R2.71 Cc1ccccc1SCc2ccccn2 62a_100000721315_100000210755 [0,1,0,0,0,0|3,0,0]=4 541 B16R2.71 Cc1ccccc1SCc2cccnc2 62a_100000210755_100000741622 [0,1,0,0,0,0|1,0,0]=2 542 B16R2.71 Cc1ccccc1SCc2cccnc2 62a_100000741622_100000210755 [0,1,0,0,0,0|1,0,0]=2 543 B16R2.71 Cc1ccccc1SCc2cccnn2 62a_100000210755_100016990269 [0,1,0,0,0,0|2,0,0]=3 544 B16R2.71 Cc1ccccc1SCc2cccnn2 62a_100016990269_100000210755 [0,1,0,0,0,0|2,0,0]=3 545 B16R2.71 Cc1ccccc1SCc2ccncc2 62a_100000210755_100015193705 [0,1,0,0,0,0|3,0,0]=4 546 B16R2.71 Cc1ccccc1SCc2ccncc2 62a_100015193705_100000210755 [0,1,0,0,0,0|3,0,0]=4 547 B16R2.71 Cc1ccccc1SCc2cnccn2 62a_100000210755_100016995436 [0,1,0,0,0,0|2,0,0]=3 548 B16R2.71 Cc1ccccc1SCc2cnccn2 62a_100016995436_100000210755 [0,1,0,0,0,0|2,0,0]=3 549 B16R2.71 Cc1ccccc1SCc2cncnc2 62a_100000210755_100015196519 [0,1,0,0,0,0|2,0,0]=3 550 B16R2.71 Cc1ccccc1SCc2cncnc2 62a_100015196519_100000210755 [0,1,0,0,0,0|2,0,0]=3 551 B16R2.71 Cc1cccnc1C=Cc2cccnc2 271570a_100102525586_100000751373 [0,1,0,0,0,0|2,0,1]=4 552 B16R2.71 Cc1cccnc1CNc2ccccc2 207a_100000106764_100000698913 [0,1,0,0,0,0|2,0,0]=3 553 B16R2.71 Cc1cccnc1CNc2ccccc2 34a_100000106764_100000696600 [0,1,0,0,0,0|2,0,0]=3 554 B16R2.71 Cc1cccnc1COc2ccccc2 34a_100000210340_100000696600 [0,1,0,0,0,0|3,0,0]=4 555 B16R2.71 Cc1cccnc1COc2ccccc2 7a_100000210340_100000696600 [0,1,0,0,0,0|3,0,0]=4 556 B16R2.71 Cc1cccnc1COc2cccnc2 34a_100000210849_100000696600 [0,1,0,0,0,0|3,0,0]=4 557 B16R2.71 Cc1cccnc1COc2cccnc2 7a_100000210849_100000696600 [0,1,0,0,0,0|3,0,0]=4 558 B16R2.71 Cc1cccnc1CSc2ccccc2 62a_100000696600_100000041952 [0,1,0,0,0,0|3,0,0]=4 559 B16R2.71 Cc1cccnc1CSc2ccccc2 62a_100000719477_100000696600 [0,1,0,0,0,0|3,0,0]=4 560 B16R2.71 Cc1cccnc1CSc2cccnc2 62a_100000210063_100000696600 [0,1,0,0,0,0|3,0,0]=4 561 B16R2.71 Cc1cccnc1CSc2cccnc2 62a_100000696600_100000210063 [0,1,0,0,0,0|3,0,0]=4 562 B16R2.71 Cc1cccnc1SCc2ccccc2 62a_100000211182_100000751373 [0,1,0,0,0,0|3,0,0]=4 563 B16R2.71 Cc1cccnc1SCc2ccccc2 62a_100000751373_100015291786 [0,1,0,0,0,0|3,0,0]=4 564 B16R2.71 Cc1cccnc1SCc2cccnc2 62a_100000741622_100000751373 [0,1,0,0,0,0|2,0,0]=3 565 B16R2.71 Cc1cccnc1SCc2cccnc2 62a_100000751373_100000741622 [0,1,0,0,0,0|2,0,0]=3 566 B16R2.71 Cc1cccnc1SCc2cccnn2 62a_100000751373_100016990269 [0,1,0,0,0,0|3,0,0]=4 567 B16R2.71 Cc1cccnc1SCc2cccnn2 62a_100016990269_100000751373 [0,1,0,0,0,0|3,0,0]=4 568 B16R2.71 Cc1cccnc1SCc2cnccn2 62a_100000751373_100016995436 [0,1,0,0,0,0|3,0,0]=4 569 B16R2.71 Cc1cccnc1SCc2cnccn2 62a_100016995436_100000751373 [0,1,0,0,0,0|3,0,0]=4 570 B16R2.71 Cc1cccnc1SCc2cncnc2 62a_100000751373_100015196519 [0,1,0,0,0,0|3,0,0]=4 571 B16R2.71 Cc1cccnc1SCc2cncnc2 62a_100015196519_100000751373 [0,1,0,0,0,0|3,0,0]=4 572 B16R2.71 Cc1ccncc1C#Cc2ccccc2 271570a_100000069678_100000761580 [0,1,0,0,0,0|1,0,1]=3 573 B16R2.71 Cc1ccncc1C=Cc2ccccc2 271570a_100102527694_100000761580 [0,1,0,0,0,0|1,0,1]=3 574 B16R2.71 Cc1ccncc1C=Cc2cccnc2 271570a_100102525586_100000761580 [0,1,0,0,0,0|2,0,1]=4 575 B16R2.71 Cc1ccncc1CNc2ccccc2 207a_100000106764_100000685662 [0,1,0,0,0,0|0,0,0]=1 576 B16R2.71 Cc1ccncc1CNc2ccccc2 34a_100000106764_100000690890 [0,1,0,0,0,0|0,0,0]=1 577 B16R2.71 Cc1ccncc1CNc2cccnn2 27a_100011997553_100016991348 [0,1,0,0,0,0|2,0,0]=3 578 B16R2.71 Cc1ccncc1CNc2ccncn2 27a_100011997553_100000703185 [0,1,0,0,0,0|2,0,0]=3 579 B16R2.71 Cc1ccncc1CNc2cnccn2 27a_100011997553_100000211759 [0,1,0,0,0,0|2,0,0]=3 580 B16R2.71 Cc1ccncc1CNc2ncccn2 27a_100011997553_100000211032 [0,1,0,0,0,0|2,0,0]=3 581 B16R2.71 Cc1ccncc1COc2ccccc2 34a_100000210340_100000690890 [0,1,0,0,0,0|1,0,0]=2 582 B16R2.71 Cc1ccncc1COc2ccccc2 7a_100000210340_100000690890 [0,1,0,0,0,0|1,0,0]=2 583 B16R2.71 Cc1ccncc1COc2cccnc2 34a_100000210849_100000690890 [0,1,0,0,0,0|2,0,0]=3 584 B16R2.71 Cc1ccncc1COc2cccnc2 7a_100000210849_100000690890 [0,1,0,0,0,0|2,0,0]=3 585 B16R2.71 Cc1ccncc1COc2ccncc2 34a_100000212176_100000690890 [0,1,0,0,0,0|2,0,0]=3 586 B16R2.71 Cc1ccncc1COc2ccnnc2 34a_100015204005_100000690890 [0,1,0,0,0,0|3,0,0]=4 587 B16R2.71 Cc1ccncc1COc2cncnc2 7a_100000754086_100000690890 [0,1,0,0,0,0|3,0,0]=4 588 B16R2.71 Cc1ccncc1CSc2ccccc2 62a_100000690890_100000041952 [0,1,0,0,0,0|1,0,0]=2 589 B16R2.71 Cc1ccncc1CSc2ccccc2 62a_100000719477_100000690890 [0,1,0,0,0,0|1,0,0]=2 590 B16R2.71 Cc1ccncc1CSc2ccccn2 62a_100000690890_100011216584 [0,1,0,0,0,0|2,0,0]=3 591 B16R2.71 Cc1ccncc1CSc2ccccn2 62a_100011216584_100000690890 [0,1,0,0,0,0|2,0,0]=3 592 B16R2.71 Cc1ccncc1CSc2cccnc2 62a_100000210063_100000690890 [0,1,0,0,0,0|2,0,0]=3 593 B16R2.71 Cc1ccncc1CSc2cccnc2 62a_100000690890_100000210063 [0,1,0,0,0,0|2,0,0]=3 594 B16R2.71 Cc1ccncc1CSc2cccnn2 62a_100000690890_100016991348 [0,1,0,0,0,0|3,0,0]=4 595 B16R2.71 Cc1ccncc1CSc2cccnn2 62a_100016991348_100000690890 [0,1,0,0,0,0|3,0,0]=4 596 B16R2.71 Cc1ccncc1CSc2ccncc2 62a_100000690890_100000728582 [0,1,0,0,0,0|2,0,0]=3 597 B16R2.71 Cc1ccncc1CSc2ccncc2 62a_100000728582_100000690890 [0,1,0,0,0,0|2,0,0]=3 598 B16R2.71 Cc1ccncc1CSc2ccncn2 62a_100000690890_100000703185 [0,1,0,0,0,0|3,0,0]=4 599 B16R2.71 Cc1ccncc1CSc2ccncn2 62a_100000703185_100000690890 [0,1,0,0,0,0|3,0,0]=4 600 B16R2.71 Cc1ccncc1CSc2ccnnc2 62a_100000690890_100000732662 [0,1,0,0,0,0|3,0,0]=4 601 B16R2.71 Cc1ccncc1CSc2ccnnc2 62a_100000732662_100000690890 [0,1,0,0,0,0|3,0,0]=4 602 B16R2.71 Cc1ccncc1CSc2cnccn2 62a_100000211759_100000690890 [0,1,0,0,0,0|3,0,0]=4 603 B16R2.71 Cc1ccncc1CSc2cnccn2 62a_100000690890_100000211759 [0,1,0,0,0,0|3,0,0]=4 604 B16R2.71 Cc1ccncc1CSc2cncnc2 62a_100000690890_100011206942 [0,1,0,0,0,0|3,0,0]=4 605 B16R2.71 Cc1ccncc1CSc2cncnc2 62a_100011206942_100000690890 [0,1,0,0,0,0|3,0,0]=4 606 B16R2.71 Cc1ccncc1CSc2ncccn2 62a_100000211032_100000690890 [0,1,0,0,0,0|3,0,0]=4 607 B16R2.71 Cc1ccncc1CSc2ncccn2 62a_100000690890_100000211032 [0,1,0,0,0,0|3,0,0]=4 608 B16R2.71 Cc1ccncc1OCc2ccccc2 34a_100011997053_100015291786 [0,1,0,0,0,0|2,0,0]=3 609 B16R2.71 Cc1ccncc1OCc2ccccc2 7a_100011997053_100000211182 [0,1,0,0,0,0|2,0,0]=3 610 B16R2.71 Cc1ccncc1OCc2ccccn2 34a_100011997053_100000721315 [0,1,0,0,0,0|3,0,0]=4 611 B16R2.71 Cc1ccncc1OCc2ccccn2 7a_100011997053_100000721315 [0,1,0,0,0,0|3,0,0]=4 612 B16R2.71 Cc1ccncc1OCc2cccnc2 34a_100011997053_100000733263 [0,1,0,0,0,0|2,0,0]=3 613 B16R2.71 Cc1ccncc1OCc2cccnc2 7a_100011997053_100000741622 [0,1,0,0,0,0|2,0,0]=3 614 B16R2.71 Cc1ccncc1OCc2cccnn2 34a_100011997053_100016990269 [0,1,0,0,0,0|3,0,0]=4 615 B16R2.71 Cc1ccncc1OCc2cccnn2 7a_100011997053_100016990269 [0,1,0,0,0,0|3,0,0]=4 616 B16R2.71 Cc1ccncc1OCc2ccncc2 7a_100011997053_100015193705 [0,1,0,0,0,0|3,0,0]=4 617 B16R2.71 Cc1ccncc1OCc2cnccn2 34a_100011997053_100016995436 [0,1,0,0,0,0|3,0,0]=4 618 B16R2.71 Cc1ccncc1OCc2cnccn2 7a_100011997053_100016995436 [0,1,0,0,0,0|3,0,0]=4 619 B16R2.71 Cc1ccncc1OCc2cncnc2 34a_100011997053_100015196519 [0,1,0,0,0,0|3,0,0]=4 620 B16R2.71 Cc1ccncc1OCc2cncnc2 7a_100011997053_100015196519 [0,1,0,0,0,0|3,0,0]=4 621 B16R2.71 Cc1ccncc1SCc2ccccc2 62a_100000211182_100000761580 [0,1,0,0,0,0|2,0,0]=3 622 B16R2.71 Cc1ccncc1SCc2ccccc2 62a_100000761580_100015291786 [0,1,0,0,0,0|2,0,0]=3 623 B16R2.71 Cc1ccncc1SCc2ccccn2 62a_100000721315_100000761580 [0,1,0,0,0,0|3,0,0]=4 624 B16R2.71 Cc1ccncc1SCc2ccccn2 62a_100000761580_100000721315 [0,1,0,0,0,0|3,0,0]=4 625 B16R2.71 Cc1ccncc1SCc2cccnc2 62a_100000741622_100000761580 [0,1,0,0,0,0|2,0,0]=3 626 B16R2.71 Cc1ccncc1SCc2cccnc2 62a_100000761580_100000741622 [0,1,0,0,0,0|2,0,0]=3 627 B16R2.71 Cc1ccncc1SCc2cccnn2 62a_100000761580_100016990269 [0,1,0,0,0,0|3,0,0]=4 628 B16R2.71 Cc1ccncc1SCc2cccnn2 62a_100016990269_100000761580 [0,1,0,0,0,0|3,0,0]=4 629 B16R2.71 Cc1ccncc1SCc2ccncc2 62a_100000761580_100015193705 [0,1,0,0,0,0|3,0,0]=4 630 B16R2.71 Cc1ccncc1SCc2ccncc2 62a_100015193705_100000761580 [0,1,0,0,0,0|3,0,0]=4 631 B16R2.71 Cc1ccncc1SCc2cnccn2 62a_100000761580_100016995436 [0,1,0,0,0,0|3,0,0]=4 632 B16R2.71 Cc1ccncc1SCc2cnccn2 62a_100016995436_100000761580 [0,1,0,0,0,0|3,0,0]=4 633 B16R2.71 Cc1ccncc1SCc2cncnc2 62a_100000761580_100015196519 [0,1,0,0,0,0|3,0,0]=4 634 B16R2.71 Cc1ccncc1SCc2cncnc2 62a_100015196519_100000761580 [0,1,0,0,0,0|3,0,0]=4 635 B16R2.71 Cc1ccnnc1C#Cc2ccccc2 271570a_100000069678_100000089043 [0,1,0,0,0,0|2,0,1]=4 636 B16R2.71 Cc1ccnnc1C=Cc2ccccc2 271570a_100102527694_100000089043 [0,1,0,0,0,0|2,0,1]=4 637 B16R2.71 Cc1ccnnc1NCc2ccccc2 27a_100015324214_100000089043 [0,1,0,0,0,0|3,0,0]=4 638 B16R2.71 Cc1ccnnc1NCc2cccnc2 27a_100000210453_100000089043 [0,1,0,0,0,0|2,0,0]=3 639 B16R2.71 Cc1ccnnc1NCc2cccnn2 27a_100159270163_100000089043 [0,1,0,0,0,0|3,0,0]=4 640 B16R2.71 Cc1ccnnc1NCc2cnccn2 27a_100000737960_100000089043 [0,1,0,0,0,0|3,0,0]=4 641 B16R2.71 Cc1ccnnc1NCc2cncnc2 27a_100011243677_100000089043 [0,1,0,0,0,0|3,0,0]=4 642 B16R2.71 Cc1ccnnc1SCc2ccccc2 62a_100000211182_100000089043 [0,1,0,0,0,0|3,0,0]=4 643 B16R2.71 Cc1ccnnc1SCc2cccnc2 62a_100000741622_100000089043 [0,1,0,0,0,0|3,0,0]=4 644 B16R2.71 Cc1cnccc1C=Cc2cccnc2 271570a_100102525586_100015191297 [0,1,0,0,0,0|2,0,1]=4 645 B16R2.71 Cc1cnccc1CNc2ccccc2 34a_100000106764_100020672809 [0,1,0,0,0,0|2,0,0]=3 646 B16R2.71 Cc1cnccc1COc2ccccc2 34a_100000210340_100020672809 [0,1,0,0,0,0|3,0,0]=4 647 B16R2.71 Cc1cnccc1COc2ccccc2 7a_100000210340_100020672808 [0,1,0,0,0,0|3,0,0]=4 648 B16R2.71 Cc1cnccc1COc2cccnc2 34a_100000210849_100020672809 [0,1,0,0,0,0|3,0,0]=4 649 B16R2.71 Cc1cnccc1COc2cccnc2 7a_100000210849_100020672808 [0,1,0,0,0,0|3,0,0]=4 650 B16R2.71 Cc1cnccc1CSc2ccccc2 62a_100000719477_100020672808 [0,1,0,0,0,0|3,0,0]=4 651 B16R2.71 Cc1cnccc1CSc2ccccc2 62a_100020672808_100000041952 [0,1,0,0,0,0|3,0,0]=4 652 B16R2.71 Cc1cnccc1CSc2cccnc2 62a_100000210063_100020672808 [0,1,0,0,0,0|3,0,0]=4 653 B16R2.71 Cc1cnccc1CSc2cccnc2 62a_100020672808_100000210063 [0,1,0,0,0,0|3,0,0]=4 654 B16R2.71 Cc1cnccc1NCc2ccccc2 27a_100015324214_100000765111 [0,1,0,0,0,0|2,0,0]=3 655 B16R2.71 Cc1cnccc1NCc2ccccn2 27a_100000210449_100000765111 [0,1,0,0,0,0|3,0,0]=4 656 B16R2.71 Cc1cnccc1NCc2cccnc2 27a_100000210453_100000765111 [0,1,0,0,0,0|1,0,0]=2 657 B16R2.71 Cc1cnccc1NCc2cccnn2 27a_100159270163_100000765111 [0,1,0,0,0,0|2,0,0]=3 658 B16R2.71 Cc1cnccc1NCc2ccncc2 27a_100000210450_100000765111 [0,1,0,0,0,0|3,0,0]=4 659 B16R2.71 Cc1cnccc1NCc2cnccn2 27a_100000737960_100000765111 [0,1,0,0,0,0|2,0,0]=3 660 B16R2.71 Cc1cnccc1NCc2cncnc2 27a_100011243677_100000765111 [0,1,0,0,0,0|2,0,0]=3 661 B16R2.71 Cc1cnccc1OCc2ccccc2 34a_100000694293_100015291786 [0,1,0,0,0,0|3,0,0]=4 662 B16R2.71 Cc1cnccc1OCc2cccnc2 34a_100000694293_100000733263 [0,1,0,0,0,0|2,0,0]=3 663 B16R2.71 Cc1cnccc1OCc2cccnn2 34a_100000694293_100016990269 [0,1,0,0,0,0|3,0,0]=4 664 B16R2.71 Cc1cnccc1OCc2cnccn2 34a_100000694293_100016995436 [0,1,0,0,0,0|3,0,0]=4 665 B16R2.71 Cc1cnccc1OCc2cncnc2 34a_100000694293_100015196519 [0,1,0,0,0,0|3,0,0]=4 666 B16R2.71 Cc1cnccc1SCc2ccccc2 62a_100000211182_100000765111 [0,1,0,0,0,0|3,0,0]=4 667 B16R2.71 Cc1cnccc1SCc2ccccc2 62a_100000765111_100015291786 [0,1,0,0,0,0|3,0,0]=4 668 B16R2.71 Cc1cnccc1SCc2cccnc2 62a_100000741622_100000765111 [0,1,0,0,0,0|2,0,0]=3 669 B16R2.71 Cc1cnccc1SCc2cccnc2 62a_100000765111_100000741622 [0,1,0,0,0,0|2,0,0]=3 670 B16R2.71 Cc1cnccc1SCc2cccnn2 62a_100000765111_100016990269 [0,1,0,0,0,0|3,0,0]=4 671 B16R2.71 Cc1cnccc1SCc2cccnn2 62a_100016990269_100000765111 [0,1,0,0,0,0|3,0,0]=4 672 B16R2.71 Cc1cnccc1SCc2cnccn2 62a_100000765111_100016995436 [0,1,0,0,0,0|3,0,0]=4 673 B16R2.71 Cc1cnccc1SCc2cnccn2 62a_100016995436_100000765111 [0,1,0,0,0,0|3,0,0]=4 674 B16R2.71 Cc1cnccc1SCc2cncnc2 62a_100000765111_100015196519 [0,1,0,0,0,0|3,0,0]=4 675 B16R2.71 Cc1cnccc1SCc2cncnc2 62a_100015196519_100000765111 [0,1,0,0,0,0|3,0,0]=4 676 B16R2.71 Cc1cncnc1NCc2ccccc2 27a_100015324214_100011998708 [0,1,0,0,0,0|3,0,0]=4 677 B16R2.71 Cc1cncnc1NCc2cccnc2 27a_100000210453_100011998708 [0,1,0,0,0,0|2,0,0]=3 678 B16R2.71 Cc1cncnc1NCc2cccnn2 27a_100159270163_100011998708 [0,1,0,0,0,0|3,0,0]=4 679 B16R2.71 Cc1cncnc1NCc2cnccn2 27a_100000737960_100011998708 [0,1,0,0,0,0|3,0,0]=4 680 B16R2.71 Cc1cncnc1NCc2cncnc2 27a_100011243677_100011998708 [0,1,0,0,0,0|3,0,0]=4 681 B16R2.71 Cc1cncnc1SCc2cccnc2 62a_100000741622_100011998708 [0,1,0,0,0,0|3,0,0]=4 682 B16R2.71 Cc1cncnc1SCc2cccnc2 62a_100011998708_100000741622 [0,1,0,0,0,0|3,0,0]=4 683 B16R2.71 Cc1ncccc1C#Cc2ccccc2 271570a_100000069678_100000751574 [0,1,0,0,0,0|1,0,1]=3 684 B16R2.71 Cc1ncccc1C=Cc2ccccc2 271570a_100102527694_100000751574 [0,1,0,0,0,0|1,0,1]=3 685 B16R2.71 Cc1ncccc1C=Cc2cccnc2 271570a_100102525586_100000751574 [0,1,0,0,0,0|2,0,1]=4 686 B16R2.71 Cc1ncccc1CNc2ccccc2 207a_100000106764_100000751968 [0,1,0,0,0,0|0,0,0]=1 687 B16R2.71 Cc1ncccc1CNc2ccccc2 34a_100000106764_100000732876 [0,1,0,0,0,0|0,0,0]=1 688 B16R2.71 Cc1ncccc1COc2ccccc2 34a_100000210340_100000732876 [0,1,0,0,0,0|1,0,0]=2 689 B16R2.71 Cc1ncccc1COc2ccccc2 7a_100000210340_100000732876 [0,1,0,0,0,0|1,0,0]=2 690 B16R2.71 Cc1ncccc1COc2cccnc2 34a_100000210849_100000732876 [0,1,0,0,0,0|2,0,0]=3 691 B16R2.71 Cc1ncccc1COc2cccnc2 7a_100000210849_100000732876 [0,1,0,0,0,0|2,0,0]=3 692 B16R2.71 Cc1ncccc1COc2ccncc2 34a_100000212176_100000732876 [0,1,0,0,0,0|2,0,0]=3 693 B16R2.71 Cc1ncccc1COc2ccnnc2 34a_100015204005_100000732876 [0,1,0,0,0,0|3,0,0]=4 694 B16R2.71 Cc1ncccc1COc2cncnc2 7a_100000754086_100000732876 [0,1,0,0,0,0|3,0,0]=4 695 B16R2.71 Cc1ncccc1CSc2ccccc2 62a_100000719477_100000732876 [0,1,0,0,0,0|1,0,0]=2 696 B16R2.71 Cc1ncccc1CSc2ccccc2 62a_100000732876_100000041952 [0,1,0,0,0,0|1,0,0]=2 697 B16R2.71 Cc1ncccc1CSc2ccccn2 62a_100000732876_100011216584 [0,1,0,0,0,0|2,0,0]=3 698 B16R2.71 Cc1ncccc1CSc2ccccn2 62a_100011216584_100000732876 [0,1,0,0,0,0|2,0,0]=3 699 B16R2.71 Cc1ncccc1CSc2cccnc2 62a_100000210063_100000732876 [0,1,0,0,0,0|2,0,0]=3 700 B16R2.71 Cc1ncccc1CSc2cccnc2 62a_100000732876_100000210063 [0,1,0,0,0,0|2,0,0]=3 701 B16R2.71 Cc1ncccc1CSc2cccnn2 62a_100000732876_100016991348 [0,1,0,0,0,0|3,0,0]=4 702 B16R2.71 Cc1ncccc1CSc2cccnn2 62a_100016991348_100000732876 [0,1,0,0,0,0|3,0,0]=4 703 B16R2.71 Cc1ncccc1CSc2ccncc2 62a_100000728582_100000732876 [0,1,0,0,0,0|2,0,0]=3 704 B16R2.71 Cc1ncccc1CSc2ccncc2 62a_100000732876_100000728582 [0,1,0,0,0,0|2,0,0]=3 705 B16R2.71 Cc1ncccc1CSc2ccncn2 62a_100000703185_100000732876 [0,1,0,0,0,0|3,0,0]=4 706 B16R2.71 Cc1ncccc1CSc2ccncn2 62a_100000732876_100000703185 [0,1,0,0,0,0|3,0,0]=4 707 B16R2.71 Cc1ncccc1CSc2ccnnc2 62a_100000732662_100000732876 [0,1,0,0,0,0|3,0,0]=4 708 B16R2.71 Cc1ncccc1CSc2ccnnc2 62a_100000732876_100000732662 [0,1,0,0,0,0|3,0,0]=4 709 B16R2.71 Cc1ncccc1CSc2cnccn2 62a_100000211759_100000732876 [0,1,0,0,0,0|3,0,0]=4 710 B16R2.71 Cc1ncccc1CSc2cnccn2 62a_100000732876_100000211759 [0,1,0,0,0,0|3,0,0]=4 711 B16R2.71 Cc1ncccc1CSc2cncnc2 62a_100000732876_100011206942 [0,1,0,0,0,0|3,0,0]=4 712 B16R2.71 Cc1ncccc1CSc2cncnc2 62a_100011206942_100000732876 [0,1,0,0,0,0|3,0,0]=4 713 B16R2.71 Cc1ncccc1CSc2ncccn2 62a_100000211032_100000732876 [0,1,0,0,0,0|3,0,0]=4 714 B16R2.71 Cc1ncccc1CSc2ncccn2 62a_100000732876_100000211032 [0,1,0,0,0,0|3,0,0]=4 715 B16R2.71 Cc1ncccc1OCc2ccccc2 34a_100000745507_100015291786 [0,1,0,0,0,0|2,0,0]=3 716 B16R2.71 Cc1ncccc1OCc2ccccc2 7a_100000745507_100000211182 [0,1,0,0,0,0|2,0,0]=3 717 B16R2.71 Cc1ncccc1OCc2ccccn2 34a_100000745507_100000721315 [0,1,0,0,0,0|3,0,0]=4 718 B16R2.71 Cc1ncccc1OCc2ccccn2 7a_100000745507_100000721315 [0,1,0,0,0,0|3,0,0]=4 719 B16R2.71 Cc1ncccc1OCc2cccnc2 34a_100000745507_100000733263 [0,1,0,0,0,0|2,0,0]=3 720 B16R2.71 Cc1ncccc1OCc2cccnc2 7a_100000745507_100000741622 [0,1,0,0,0,0|2,0,0]=3 721 B16R2.71 Cc1ncccc1OCc2cccnn2 34a_100000745507_100016990269 [0,1,0,0,0,0|3,0,0]=4 722 B16R2.71 Cc1ncccc1OCc2cccnn2 7a_100000745507_100016990269 [0,1,0,0,0,0|3,0,0]=4 723 B16R2.71 Cc1ncccc1OCc2ccncc2 7a_100000745507_100015193705 [0,1,0,0,0,0|3,0,0]=4 724 B16R2.71 Cc1ncccc1OCc2cnccn2 34a_100000745507_100016995436 [0,1,0,0,0,0|3,0,0]=4 725 B16R2.71 Cc1ncccc1OCc2cnccn2 7a_100000745507_100016995436 [0,1,0,0,0,0|3,0,0]=4 726 B16R2.71 Cc1ncccc1OCc2cncnc2 34a_100000745507_100015196519 [0,1,0,0,0,0|3,0,0]=4 727 B16R2.71 Cc1ncccc1OCc2cncnc2 7a_100000745507_100015196519 [0,1,0,0,0,0|3,0,0]=4 728 B16R2.71 Cc1ncccc1SCc2ccccc2 62a_100000211182_100000751574 [0,1,0,0,0,0|2,0,0]=3 729 B16R2.71 Cc1ncccc1SCc2ccccc2 62a_100000751574_100015291786 [0,1,0,0,0,0|2,0,0]=3 730 B16R2.71 Cc1ncccc1SCc2ccccn2 62a_100000721315_100000751574 [0,1,0,0,0,0|3,0,0]=4 731 B16R2.71 Cc1ncccc1SCc2ccccn2 62a_100000751574_100000721315 [0,1,0,0,0,0|3,0,0]=4 732 B16R2.71 Cc1ncccc1SCc2cccnc2 62a_100000741622_100000751574 [0,1,0,0,0,0|2,0,0]=3 733 B16R2.71 Cc1ncccc1SCc2cccnc2 62a_100000751574_100000741622 [0,1,0,0,0,0|2,0,0]=3 734 B16R2.71 Cc1ncccc1SCc2cccnn2 62a_100000751574_100016990269 [0,1,0,0,0,0|3,0,0]=4 735 B16R2.71 Cc1ncccc1SCc2cccnn2 62a_100016990269_100000751574 [0,1,0,0,0,0|3,0,0]=4 736 B16R2.71 Cc1ncccc1SCc2ccncc2 62a_100000751574_100015193705 [0,1,0,0,0,0|3,0,0]=4 737 B16R2.71 Cc1ncccc1SCc2ccncc2 62a_100015193705_100000751574 [0,1,0,0,0,0|3,0,0]=4 738 B16R2.71 Cc1ncccc1SCc2cnccn2 62a_100000751574_100016995436 [0,1,0,0,0,0|3,0,0]=4 739 B16R2.71 Cc1ncccc1SCc2cnccn2 62a_100016995436_100000751574 [0,1,0,0,0,0|3,0,0]=4 740 B16R2.71 Cc1ncccc1SCc2cncnc2 62a_100000751574_100015196519 [0,1,0,0,0,0|3,0,0]=4 741 B16R2.71 Cc1ncccc1SCc2cncnc2 62a_100015196519_100000751574 [0,1,0,0,0,0|3,0,0]=4 742 B16R2.71 Cc1nccnc1C#Cc2ccccc2 271570a_100000069678_100011999405 [0,1,0,0,0,0|2,0,1]=4 743 B16R2.71 Cc1nccnc1C=Cc2ccccc2 271570a_100102527694_100011999405 [0,1,0,0,0,0|2,0,1]=4 744 B16R2.71 Cc1nccnc1CNc2cccnn2 27a_100020641712_100016991348 [0,1,0,0,0,0|3,0,0]=4 745 B16R2.71 Cc1nccnc1CNc2ccncn2 27a_100020641712_100000703185 [0,1,0,0,0,0|3,0,0]=4 746 B16R2.71 Cc1nccnc1CNc2cnccn2 27a_100020641712_100000211759 [0,1,0,0,0,0|3,0,0]=4 747 B16R2.71 Cc1nccnc1CNc2ncccn2 27a_100020641712_100000211032 [0,1,0,0,0,0|3,0,0]=4 748 B16R2.71 Cc1nccnc1NCc2ccccc2 27a_100015324214_100011999405 [0,1,0,0,0,0|3,0,0]=4 749 B16R2.71 Cc1nccnc1NCc2cccnc2 27a_100000210453_100011999405 [0,1,0,0,0,0|2,0,0]=3 750 B16R2.71 Cc1nccnc1NCc2cccnn2 27a_100159270163_100011999405 [0,1,0,0,0,0|3,0,0]=4 751 B16R2.71 Cc1nccnc1NCc2cnccn2 27a_100000737960_100011999405 [0,1,0,0,0,0|3,0,0]=4 752 B16R2.71 Cc1nccnc1NCc2cncnc2 27a_100011243677_100011999405 [0,1,0,0,0,0|3,0,0]=4 753 B16R2.71 Cc1nccnc1OCc2ccccc2 34a_100000766352_100015291786 [0,1,0,0,0,0|3,0,0]=4 754 B16R2.71 Cc1nccnc1OCc2cccnc2 34a_100000766352_100000733263 [0,1,0,0,0,0|3,0,0]=4 755 B16R2.71 Cc1nccnc1SCc2ccccc2 62a_100000211182_100011999405 [0,1,0,0,0,0|3,0,0]=4 756 B16R2.71 Cc1nccnc1SCc2ccccc2 62a_100011999405_100015291786 [0,1,0,0,0,0|3,0,0]=4 757 B16R2.71 Cc1nccnc1SCc2cccnc2 62a_100000741622_100011999405 [0,1,0,0,0,0|3,0,0]=4 758 B16R2.71 Cc1nccnc1SCc2cccnc2 62a_100011999405_100000741622 [0,1,0,0,0,0|3,0,0]=4 759 B16R2.71 Cc1ncncc1C#Cc2ccccc2 271570a_100000069678_100009819671 [0,1,0,0,0,0|2,0,1]=4 760 B16R2.71 Cc1ncncc1C=Cc2ccccc2 271570a_100102527694_100009819671 [0,1,0,0,0,0|2,0,1]=4 761 B16R2.71 Cc1ncncc1SCc2ccccc2 62a_100000211182_100009819671 [0,1,0,0,0,0|3,0,0]=4 762 B16R2.71 Cc1ncncc1SCc2ccccc2 62a_100009819671_100015291786 [0,1,0,0,0,0|3,0,0]=4 763 B16R2.71 Cc1ncncc1SCc2cccnc2 62a_100000741622_100009819671 [0,1,0,0,0,0|3,0,0]=4 764 B16R2.71 Cc1ncncc1SCc2cccnc2 62a_100009819671_100000741622 [0,1,0,0,0,0|3,0,0]=4 765 B16R2.71 Clc1ccccc1C#Cc2ccccc2 271570a_100000069678_100000764095 [0,1,0,0,0,0|2,0,1]=4 766 B16R2.71 Clc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000764095 [0,1,0,0,0,0|2,0,1]=4 767 B16R2.71 Clc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000764095 [0,1,0,0,0,0|1,0,1]=3 768 B16R2.71 Clc1ccccc1CNc2ccccc2 207a_100000106764_100000210073 [0,1,0,0,0,0|1,0,0]=2 769 B16R2.71 Clc1ccccc1CNc2ccccc2 270302a_100000106764_100000210073 [0,1,0,0,0,0|1,0,0]=2 770 B16R2.71 Clc1ccccc1CNc2ccccc2 34a_100000106764_100000187162 [0,1,0,0,0,0|1,0,0]=2 771 B16R2.71 Clc1ccccc1CNc2cccnn2 27a_100000174879_100016991348 [0,1,0,0,0,0|3,0,0]=4 772 B16R2.71 Clc1ccccc1CNc2ccncn2 27a_100000174879_100000703185 [0,1,0,0,0,0|3,0,0]=4 773 B16R2.71 Clc1ccccc1CNc2cnccn2 27a_100000174879_100000211759 [0,1,0,0,0,0|3,0,0]=4 774 B16R2.71 Clc1ccccc1CNc2ncccn2 27a_100000174879_100000211032 [0,1,0,0,0,0|3,0,0]=4 775 B16R2.71 Clc1ccccc1COc2ccccc2 34a_100000210340_100000187162 [0,1,0,0,0,0|2,0,0]=3 776 B16R2.71 Clc1ccccc1COc2ccccc2 7a_100000210340_100000187162 [0,1,0,0,0,0|2,0,0]=3 777 B16R2.71 Clc1ccccc1COc2cccnc2 34a_100000210849_100000187162 [0,1,0,0,0,0|2,0,0]=3 778 B16R2.71 Clc1ccccc1COc2cccnc2 7a_100000210849_100000187162 [0,1,0,0,0,0|2,0,0]=3 779 B16R2.71 Clc1ccccc1COc2ccncc2 34a_100000212176_100000187162 [0,1,0,0,0,0|3,0,0]=4 780 B16R2.71 Clc1ccccc1COc2ccnnc2 34a_100015204005_100000187162 [0,1,0,0,0,0|3,0,0]=4 781 B16R2.71 Clc1ccccc1COc2cncnc2 7a_100000754086_100000187162 [0,1,0,0,0,0|3,0,0]=4 782 B16R2.71 Clc1ccccc1CSc2ccccc2 62a_100000187162_100000041952 [0,1,0,0,0,0|2,0,0]=3 783 B16R2.71 Clc1ccccc1CSc2ccccc2 62a_100000719477_100000187162 [0,1,0,0,0,0|2,0,0]=3 784 B16R2.71 Clc1ccccc1CSc2ccccn2 62a_100000187162_100011216584 [0,1,0,0,0,0|3,0,0]=4 785 B16R2.71 Clc1ccccc1CSc2ccccn2 62a_100011216584_100000187162 [0,1,0,0,0,0|3,0,0]=4 786 B16R2.71 Clc1ccccc1CSc2cccnc2 62a_100000187162_100000210063 [0,1,0,0,0,0|2,0,0]=3 787 B16R2.71 Clc1ccccc1CSc2cccnc2 62a_100000210063_100000187162 [0,1,0,0,0,0|2,0,0]=3 788 B16R2.71 Clc1ccccc1CSc2cccnn2 62a_100000187162_100016991348 [0,1,0,0,0,0|3,0,0]=4 789 B16R2.71 Clc1ccccc1CSc2cccnn2 62a_100016991348_100000187162 [0,1,0,0,0,0|3,0,0]=4 790 B16R2.71 Clc1ccccc1CSc2ccncc2 62a_100000187162_100000728582 [0,1,0,0,0,0|3,0,0]=4 791 B16R2.71 Clc1ccccc1CSc2ccncc2 62a_100000728582_100000187162 [0,1,0,0,0,0|3,0,0]=4 792 B16R2.71 Clc1ccccc1CSc2ccnnc2 62a_100000187162_100000732662 [0,1,0,0,0,0|3,0,0]=4 793 B16R2.71 Clc1ccccc1CSc2ccnnc2 62a_100000732662_100000187162 [0,1,0,0,0,0|3,0,0]=4 794 B16R2.71 Clc1ccccc1CSc2cnccn2 62a_100000187162_100000211759 [0,1,0,0,0,0|3,0,0]=4 795 B16R2.71 Clc1ccccc1CSc2cnccn2 62a_100000211759_100000187162 [0,1,0,0,0,0|3,0,0]=4 796 B16R2.71 Clc1ccccc1CSc2cncnc2 62a_100000187162_100011206942 [0,1,0,0,0,0|3,0,0]=4 797 B16R2.71 Clc1ccccc1CSc2cncnc2 62a_100011206942_100000187162 [0,1,0,0,0,0|3,0,0]=4 798 B16R2.71 Clc1ccccc1NCc2ccccc2 207a_100000185783_100015611070 [0,1,0,0,0,0|1,0,0]=2 799 B16R2.71 Clc1ccccc1NCc2ccccc2 34a_100000185783_100015291786 [0,1,0,0,0,0|1,0,0]=2 800 B16R2.71 Clc1ccccc1NCc2ccccn2 207a_100000185783_100000209966 [0,1,0,0,0,0|2,0,0]=3 801 B16R2.71 Clc1ccccc1NCc2ccccn2 34a_100000185783_100000721315 [0,1,0,0,0,0|2,0,0]=3 802 B16R2.71 Clc1ccccc1NCc2cccnc2 207a_100000185783_100000209961 [0,1,0,0,0,0|0,0,0]=1 803 B16R2.71 Clc1ccccc1NCc2cccnc2 34a_100000185783_100000733263 [0,1,0,0,0,0|0,0,0]=1 804 B16R2.71 Clc1ccccc1NCc2cccnn2 34a_100000185783_100016990269 [0,1,0,0,0,0|1,0,0]=2 805 B16R2.71 Clc1ccccc1NCc2ccncc2 207a_100000185783_100000186114 [0,1,0,0,0,0|2,0,0]=3 806 B16R2.71 Clc1ccccc1NCc2cnccn2 34a_100000185783_100016995436 [0,1,0,0,0,0|1,0,0]=2 807 B16R2.71 Clc1ccccc1NCc2cncnc2 34a_100000185783_100015196519 [0,1,0,0,0,0|1,0,0]=2 808 B16R2.71 Clc1ccccc1NCc2ncccn2 34a_100000185783_100000703007 [0,1,0,0,0,0|3,0,0]=4 809 B16R2.71 Clc1ccccc1OCc2ccccc2 34a_100000210172_100015291786 [0,1,0,0,0,0|2,0,0]=3 810 B16R2.71 Clc1ccccc1OCc2ccccc2 7a_100000210172_100000211182 [0,1,0,0,0,0|2,0,0]=3 811 B16R2.71 Clc1ccccc1OCc2ccccn2 34a_100000210172_100000721315 [0,1,0,0,0,0|3,0,0]=4 812 B16R2.71 Clc1ccccc1OCc2ccccn2 7a_100000210172_100000721315 [0,1,0,0,0,0|3,0,0]=4 813 B16R2.71 Clc1ccccc1OCc2cccnc2 34a_100000210172_100000733263 [0,1,0,0,0,0|1,0,0]=2 814 B16R2.71 Clc1ccccc1OCc2cccnc2 7a_100000210172_100000741622 [0,1,0,0,0,0|1,0,0]=2 815 B16R2.71 Clc1ccccc1OCc2cccnn2 34a_100000210172_100016990269 [0,1,0,0,0,0|2,0,0]=3 816 B16R2.71 Clc1ccccc1OCc2cccnn2 7a_100000210172_100016990269 [0,1,0,0,0,0|2,0,0]=3 817 B16R2.71 Clc1ccccc1OCc2ccncc2 7a_100000210172_100015193705 [0,1,0,0,0,0|3,0,0]=4 818 B16R2.71 Clc1ccccc1OCc2cnccn2 34a_100000210172_100016995436 [0,1,0,0,0,0|2,0,0]=3 819 B16R2.71 Clc1ccccc1OCc2cnccn2 7a_100000210172_100016995436 [0,1,0,0,0,0|2,0,0]=3 820 B16R2.71 Clc1ccccc1OCc2cncnc2 34a_100000210172_100015196519 [0,1,0,0,0,0|2,0,0]=3 821 B16R2.71 Clc1ccccc1OCc2cncnc2 7a_100000210172_100015196519 [0,1,0,0,0,0|2,0,0]=3 822 B16R2.71 Clc1ccccc1SCc2ccccc2 62a_100000211182_100000764095 [0,1,0,0,0,0|2,0,0]=3 823 B16R2.71 Clc1ccccc1SCc2ccccc2 62a_100000764095_100015291786 [0,1,0,0,0,0|2,0,0]=3 824 B16R2.71 Clc1ccccc1SCc2ccccn2 62a_100000721315_100000764095 [0,1,0,0,0,0|3,0,0]=4 825 B16R2.71 Clc1ccccc1SCc2ccccn2 62a_100000764095_100000721315 [0,1,0,0,0,0|3,0,0]=4 826 B16R2.71 Clc1ccccc1SCc2cccnc2 62a_100000741622_100000764095 [0,1,0,0,0,0|1,0,0]=2 827 B16R2.71 Clc1ccccc1SCc2cccnc2 62a_100000764095_100000741622 [0,1,0,0,0,0|1,0,0]=2 828 B16R2.71 Clc1ccccc1SCc2cccnn2 62a_100000764095_100016990269 [0,1,0,0,0,0|2,0,0]=3 829 B16R2.71 Clc1ccccc1SCc2cccnn2 62a_100016990269_100000764095 [0,1,0,0,0,0|2,0,0]=3 830 B16R2.71 Clc1ccccc1SCc2ccncc2 62a_100000764095_100015193705 [0,1,0,0,0,0|3,0,0]=4 831 B16R2.71 Clc1ccccc1SCc2ccncc2 62a_100015193705_100000764095 [0,1,0,0,0,0|3,0,0]=4 832 B16R2.71 Clc1ccccc1SCc2cnccn2 62a_100000764095_100016995436 [0,1,0,0,0,0|2,0,0]=3 833 B16R2.71 Clc1ccccc1SCc2cnccn2 62a_100016995436_100000764095 [0,1,0,0,0,0|2,0,0]=3 834 B16R2.71 Clc1ccccc1SCc2cncnc2 62a_100000764095_100015196519 [0,1,0,0,0,0|2,0,0]=3 835 B16R2.71 Clc1ccccc1SCc2cncnc2 62a_100015196519_100000764095 [0,1,0,0,0,0|2,0,0]=3 836 B16R2.71 Clc1cccnc1C=Cc2cccnc2 271570a_100102525586_100011356963 [0,1,0,0,0,0|2,0,1]=4 837 B16R2.71 Clc1cccnc1CNc2ccccc2 207a_100000106764_100012001307 [0,1,0,0,0,0|2,0,0]=3 838 B16R2.71 Clc1cccnc1COc2ccccc2 7a_100000210340_100000099807 [0,1,0,0,0,0|3,0,0]=4 839 B16R2.71 Clc1cccnc1COc2cccnc2 7a_100000210849_100000099807 [0,1,0,0,0,0|3,0,0]=4 840 B16R2.71 Clc1cccnc1CSc2ccccc2 62a_100000099807_100000041952 [0,1,0,0,0,0|3,0,0]=4 841 B16R2.71 Clc1cccnc1CSc2ccccc2 62a_100000719477_100000099807 [0,1,0,0,0,0|3,0,0]=4 842 B16R2.71 Clc1cccnc1CSc2cccnc2 62a_100000099807_100000210063 [0,1,0,0,0,0|3,0,0]=4 843 B16R2.71 Clc1cccnc1CSc2cccnc2 62a_100000210063_100000099807 [0,1,0,0,0,0|3,0,0]=4 844 B16R2.71 Clc1cccnc1OCc2ccccc2 34a_100011290957_100015291786 [0,1,0,0,0,0|3,0,0]=4 845 B16R2.71 Clc1cccnc1OCc2cccnc2 34a_100011290957_100000733263 [0,1,0,0,0,0|2,0,0]=3 846 B16R2.71 Clc1cccnc1OCc2cccnn2 34a_100011290957_100016990269 [0,1,0,0,0,0|3,0,0]=4 847 B16R2.71 Clc1cccnc1OCc2cnccn2 34a_100011290957_100016995436 [0,1,0,0,0,0|3,0,0]=4 848 B16R2.71 Clc1cccnc1OCc2cncnc2 34a_100011290957_100015196519 [0,1,0,0,0,0|3,0,0]=4 849 B16R2.71 Clc1cccnc1SCc2ccccc2 62a_100000211182_100011356963 [0,1,0,0,0,0|3,0,0]=4 850 B16R2.71 Clc1cccnc1SCc2ccccc2 62a_100011356963_100015291786 [0,1,0,0,0,0|3,0,0]=4 851 B16R2.71 Clc1cccnc1SCc2cccnc2 62a_100000741622_100011356963 [0,1,0,0,0,0|2,0,0]=3 852 B16R2.71 Clc1cccnc1SCc2cccnc2 62a_100011356963_100000741622 [0,1,0,0,0,0|2,0,0]=3 853 B16R2.71 Clc1cccnc1SCc2cccnn2 62a_100011356963_100016990269 [0,1,0,0,0,0|3,0,0]=4 854 B16R2.71 Clc1cccnc1SCc2cccnn2 62a_100016990269_100011356963 [0,1,0,0,0,0|3,0,0]=4 855 B16R2.71 Clc1cccnc1SCc2cnccn2 62a_100011356963_100016995436 [0,1,0,0,0,0|3,0,0]=4 856 B16R2.71 Clc1cccnc1SCc2cnccn2 62a_100016995436_100011356963 [0,1,0,0,0,0|3,0,0]=4 857 B16R2.71 Clc1cccnc1SCc2cncnc2 62a_100011356963_100015196519 [0,1,0,0,0,0|3,0,0]=4 858 B16R2.71 Clc1cccnc1SCc2cncnc2 62a_100015196519_100011356963 [0,1,0,0,0,0|3,0,0]=4 859 B16R2.71 Clc1ccncc1C#Cc2ccccc2 271570a_100000069678_100009995489 [0,1,0,0,0,0|1,0,1]=3 860 B16R2.71 Clc1ccncc1C=Cc2ccccc2 271570a_100102527694_100009995489 [0,1,0,0,0,0|1,0,1]=3 861 B16R2.71 Clc1ccncc1C=Cc2cccnc2 271570a_100102525586_100009995489 [0,1,0,0,0,0|2,0,1]=4 862 B16R2.71 Clc1ccncc1OCc2ccccc2 34a_100011996695_100015291786 [0,1,0,0,0,0|2,0,0]=3 863 B16R2.71 Clc1ccncc1OCc2ccccn2 34a_100011996695_100000721315 [0,1,0,0,0,0|3,0,0]=4 864 B16R2.71 Clc1ccncc1OCc2cccnc2 34a_100011996695_100000733263 [0,1,0,0,0,0|2,0,0]=3 865 B16R2.71 Clc1ccncc1OCc2cccnn2 34a_100011996695_100016990269 [0,1,0,0,0,0|3,0,0]=4 866 B16R2.71 Clc1ccncc1OCc2cnccn2 34a_100011996695_100016995436 [0,1,0,0,0,0|3,0,0]=4 867 B16R2.71 Clc1ccncc1OCc2cncnc2 34a_100011996695_100015196519 [0,1,0,0,0,0|3,0,0]=4 868 B16R2.71 Clc1ccncc1SCc2ccccc2 62a_100000211182_100009995489 [0,1,0,0,0,0|2,0,0]=3 869 B16R2.71 Clc1ccncc1SCc2ccccc2 62a_100009995489_100015291786 [0,1,0,0,0,0|2,0,0]=3 870 B16R2.71 Clc1ccncc1SCc2ccccn2 62a_100000721315_100009995489 [0,1,0,0,0,0|3,0,0]=4 871 B16R2.71 Clc1ccncc1SCc2ccccn2 62a_100009995489_100000721315 [0,1,0,0,0,0|3,0,0]=4 872 B16R2.71 Clc1ccncc1SCc2cccnc2 62a_100000741622_100009995489 [0,1,0,0,0,0|2,0,0]=3 873 B16R2.71 Clc1ccncc1SCc2cccnc2 62a_100009995489_100000741622 [0,1,0,0,0,0|2,0,0]=3 874 B16R2.71 Clc1ccncc1SCc2cccnn2 62a_100009995489_100016990269 [0,1,0,0,0,0|3,0,0]=4 875 B16R2.71 Clc1ccncc1SCc2cccnn2 62a_100016990269_100009995489 [0,1,0,0,0,0|3,0,0]=4 876 B16R2.71 Clc1ccncc1SCc2ccncc2 62a_100009995489_100015193705 [0,1,0,0,0,0|3,0,0]=4 877 B16R2.71 Clc1ccncc1SCc2ccncc2 62a_100015193705_100009995489 [0,1,0,0,0,0|3,0,0]=4 878 B16R2.71 Clc1ccncc1SCc2cnccn2 62a_100009995489_100016995436 [0,1,0,0,0,0|3,0,0]=4 879 B16R2.71 Clc1ccncc1SCc2cnccn2 62a_100016995436_100009995489 [0,1,0,0,0,0|3,0,0]=4 880 B16R2.71 Clc1ccncc1SCc2cncnc2 62a_100009995489_100015196519 [0,1,0,0,0,0|3,0,0]=4 881 B16R2.71 Clc1ccncc1SCc2cncnc2 62a_100015196519_100009995489 [0,1,0,0,0,0|3,0,0]=4 882 B16R2.71 Clc1cnccc1C=Cc2cccnc2 271570a_100102525586_100000708259 [0,1,0,0,0,0|2,0,1]=4 883 B16R2.71 Clc1cnccc1CNc2ccccc2 207a_100000106764_100011934409 [0,1,0,0,0,0|2,0,0]=3 884 B16R2.71 Clc1cnccc1COc2ccccc2 7a_100000210340_100000763264 [0,1,0,0,0,0|3,0,0]=4 885 B16R2.71 Clc1cnccc1COc2cccnc2 7a_100000210849_100000763264 [0,1,0,0,0,0|3,0,0]=4 886 B16R2.71 Clc1cnccc1CSc2ccccc2 62a_100000719477_100000763264 [0,1,0,0,0,0|3,0,0]=4 887 B16R2.71 Clc1cnccc1CSc2ccccc2 62a_100000763264_100000041952 [0,1,0,0,0,0|3,0,0]=4 888 B16R2.71 Clc1cnccc1CSc2cccnc2 62a_100000210063_100000763264 [0,1,0,0,0,0|3,0,0]=4 889 B16R2.71 Clc1cnccc1CSc2cccnc2 62a_100000763264_100000210063 [0,1,0,0,0,0|3,0,0]=4 890 B16R2.71 Clc1cnccc1OCc2ccccc2 34a_100011997054_100015291786 [0,1,0,0,0,0|3,0,0]=4 891 B16R2.71 Clc1cnccc1OCc2cccnc2 34a_100011997054_100000733263 [0,1,0,0,0,0|2,0,0]=3 892 B16R2.71 Clc1cnccc1OCc2cccnn2 34a_100011997054_100016990269 [0,1,0,0,0,0|3,0,0]=4 893 B16R2.71 Clc1cnccc1OCc2cnccn2 34a_100011997054_100016995436 [0,1,0,0,0,0|3,0,0]=4 894 B16R2.71 Clc1cnccc1OCc2cncnc2 34a_100011997054_100015196519 [0,1,0,0,0,0|3,0,0]=4 895 B16R2.71 Clc1cnccc1SCc2ccccc2 62a_100000211182_100000708259 [0,1,0,0,0,0|3,0,0]=4 896 B16R2.71 Clc1cnccc1SCc2ccccc2 62a_100000708259_100015291786 [0,1,0,0,0,0|3,0,0]=4 897 B16R2.71 Clc1cnccc1SCc2cccnc2 62a_100000708259_100000741622 [0,1,0,0,0,0|2,0,0]=3 898 B16R2.71 Clc1cnccc1SCc2cccnc2 62a_100000741622_100000708259 [0,1,0,0,0,0|2,0,0]=3 899 B16R2.71 Clc1cnccc1SCc2cccnn2 62a_100000708259_100016990269 [0,1,0,0,0,0|3,0,0]=4 900 B16R2.71 Clc1cnccc1SCc2cccnn2 62a_100016990269_100000708259 [0,1,0,0,0,0|3,0,0]=4 901 B16R2.71 Clc1cnccc1SCc2cnccn2 62a_100000708259_100016995436 [0,1,0,0,0,0|3,0,0]=4 902 B16R2.71 Clc1cnccc1SCc2cnccn2 62a_100016995436_100000708259 [0,1,0,0,0,0|3,0,0]=4 903 B16R2.71 Clc1cnccc1SCc2cncnc2 62a_100000708259_100015196519 [0,1,0,0,0,0|3,0,0]=4 904 B16R2.71 Clc1cnccc1SCc2cncnc2 62a_100015196519_100000708259 [0,1,0,0,0,0|3,0,0]=4 905 B16R2.71 Clc1ncccc1C#Cc2ccccc2 271570a_100000069678_100000036424 [0,1,0,0,0,0|1,0,1]=3 906 B16R2.71 Clc1ncccc1C=Cc2ccccc2 271570a_100102527694_100000036424 [0,1,0,0,0,0|1,0,1]=3 907 B16R2.71 Clc1ncccc1C=Cc2cccnc2 271570a_100102525586_100000036424 [0,1,0,0,0,0|2,0,1]=4 908 B16R2.71 Clc1ncccc1CNc2ccccc2 34a_100000106764_100000045678 [0,1,0,0,0,0|0,0,0]=1 909 B16R2.71 Clc1ncccc1CNc2cccnn2 27a_100015189234_100016991348 [0,1,0,0,0,0|2,0,0]=3 910 B16R2.71 Clc1ncccc1CNc2ccncn2 27a_100015189234_100000703185 [0,1,0,0,0,0|2,0,0]=3 911 B16R2.71 Clc1ncccc1CNc2cnccn2 27a_100015189234_100000211759 [0,1,0,0,0,0|2,0,0]=3 912 B16R2.71 Clc1ncccc1CNc2ncccn2 27a_100015189234_100000211032 [0,1,0,0,0,0|2,0,0]=3 913 B16R2.71 Clc1ncccc1COc2ccccc2 34a_100000210340_100000045678 [0,1,0,0,0,0|1,0,0]=2 914 B16R2.71 Clc1ncccc1COc2ccccc2 7a_100000210340_100000045678 [0,1,0,0,0,0|1,0,0]=2 915 B16R2.71 Clc1ncccc1COc2cccnc2 34a_100000210849_100000045678 [0,1,0,0,0,0|2,0,0]=3 916 B16R2.71 Clc1ncccc1COc2cccnc2 7a_100000210849_100000045678 [0,1,0,0,0,0|2,0,0]=3 917 B16R2.71 Clc1ncccc1COc2ccncc2 34a_100000212176_100000045678 [0,1,0,0,0,0|2,0,0]=3 918 B16R2.71 Clc1ncccc1COc2ccnnc2 34a_100015204005_100000045678 [0,1,0,0,0,0|3,0,0]=4 919 B16R2.71 Clc1ncccc1COc2cncnc2 7a_100000754086_100000045678 [0,1,0,0,0,0|3,0,0]=4 920 B16R2.71 Clc1ncccc1CSc2ccccc2 62a_100000045678_100000041952 [0,1,0,0,0,0|1,0,0]=2 921 B16R2.71 Clc1ncccc1CSc2ccccc2 62a_100000719477_100000045678 [0,1,0,0,0,0|1,0,0]=2 922 B16R2.71 Clc1ncccc1CSc2ccccn2 62a_100000045678_100011216584 [0,1,0,0,0,0|2,0,0]=3 923 B16R2.71 Clc1ncccc1CSc2ccccn2 62a_100011216584_100000045678 [0,1,0,0,0,0|2,0,0]=3 924 B16R2.71 Clc1ncccc1CSc2cccnc2 62a_100000045678_100000210063 [0,1,0,0,0,0|2,0,0]=3 925 B16R2.71 Clc1ncccc1CSc2cccnc2 62a_100000210063_100000045678 [0,1,0,0,0,0|2,0,0]=3 926 B16R2.71 Clc1ncccc1CSc2cccnn2 62a_100000045678_100016991348 [0,1,0,0,0,0|3,0,0]=4 927 B16R2.71 Clc1ncccc1CSc2cccnn2 62a_100016991348_100000045678 [0,1,0,0,0,0|3,0,0]=4 928 B16R2.71 Clc1ncccc1CSc2ccncc2 62a_100000045678_100000728582 [0,1,0,0,0,0|2,0,0]=3 929 B16R2.71 Clc1ncccc1CSc2ccncc2 62a_100000728582_100000045678 [0,1,0,0,0,0|2,0,0]=3 930 B16R2.71 Clc1ncccc1CSc2ccncn2 62a_100000045678_100000703185 [0,1,0,0,0,0|3,0,0]=4 931 B16R2.71 Clc1ncccc1CSc2ccncn2 62a_100000703185_100000045678 [0,1,0,0,0,0|3,0,0]=4 932 B16R2.71 Clc1ncccc1CSc2ccnnc2 62a_100000045678_100000732662 [0,1,0,0,0,0|3,0,0]=4 933 B16R2.71 Clc1ncccc1CSc2ccnnc2 62a_100000732662_100000045678 [0,1,0,0,0,0|3,0,0]=4 934 B16R2.71 Clc1ncccc1CSc2cnccn2 62a_100000045678_100000211759 [0,1,0,0,0,0|3,0,0]=4 935 B16R2.71 Clc1ncccc1CSc2cnccn2 62a_100000211759_100000045678 [0,1,0,0,0,0|3,0,0]=4 936 B16R2.71 Clc1ncccc1CSc2cncnc2 62a_100000045678_100011206942 [0,1,0,0,0,0|3,0,0]=4 937 B16R2.71 Clc1ncccc1CSc2cncnc2 62a_100011206942_100000045678 [0,1,0,0,0,0|3,0,0]=4 938 B16R2.71 Clc1ncccc1CSc2ncccn2 62a_100000045678_100000211032 [0,1,0,0,0,0|3,0,0]=4 939 B16R2.71 Clc1ncccc1CSc2ncccn2 62a_100000211032_100000045678 [0,1,0,0,0,0|3,0,0]=4 940 B16R2.71 Clc1ncccc1OCc2ccccc2 34a_100000757616_100015291786 [0,1,0,0,0,0|2,0,0]=3 941 B16R2.71 Clc1ncccc1OCc2ccccc2 7a_100000757616_100000211182 [0,1,0,0,0,0|2,0,0]=3 942 B16R2.71 Clc1ncccc1OCc2ccccn2 34a_100000757616_100000721315 [0,1,0,0,0,0|3,0,0]=4 943 B16R2.71 Clc1ncccc1OCc2ccccn2 7a_100000757616_100000721315 [0,1,0,0,0,0|3,0,0]=4 944 B16R2.71 Clc1ncccc1OCc2cccnc2 34a_100000757616_100000733263 [0,1,0,0,0,0|2,0,0]=3 945 B16R2.71 Clc1ncccc1OCc2cccnc2 7a_100000757616_100000741622 [0,1,0,0,0,0|2,0,0]=3 946 B16R2.71 Clc1ncccc1OCc2cccnn2 34a_100000757616_100016990269 [0,1,0,0,0,0|3,0,0]=4 947 B16R2.71 Clc1ncccc1OCc2cccnn2 7a_100000757616_100016990269 [0,1,0,0,0,0|3,0,0]=4 948 B16R2.71 Clc1ncccc1OCc2ccncc2 7a_100000757616_100015193705 [0,1,0,0,0,0|3,0,0]=4 949 B16R2.71 Clc1ncccc1OCc2cnccn2 34a_100000757616_100016995436 [0,1,0,0,0,0|3,0,0]=4 950 B16R2.71 Clc1ncccc1OCc2cnccn2 7a_100000757616_100016995436 [0,1,0,0,0,0|3,0,0]=4 951 B16R2.71 Clc1ncccc1OCc2cncnc2 34a_100000757616_100015196519 [0,1,0,0,0,0|3,0,0]=4 952 B16R2.71 Clc1ncccc1OCc2cncnc2 7a_100000757616_100015196519 [0,1,0,0,0,0|3,0,0]=4 953 B16R2.71 Clc1ncccc1SCc2ccccc2 62a_100000036424_100015291786 [0,1,0,0,0,0|2,0,0]=3 954 B16R2.71 Clc1ncccc1SCc2ccccc2 62a_100000211182_100000036424 [0,1,0,0,0,0|2,0,0]=3 955 B16R2.71 Clc1ncccc1SCc2ccccn2 62a_100000036424_100000721315 [0,1,0,0,0,0|3,0,0]=4 956 B16R2.71 Clc1ncccc1SCc2ccccn2 62a_100000721315_100000036424 [0,1,0,0,0,0|3,0,0]=4 957 B16R2.71 Clc1ncccc1SCc2cccnc2 62a_100000036424_100000741622 [0,1,0,0,0,0|2,0,0]=3 958 B16R2.71 Clc1ncccc1SCc2cccnc2 62a_100000741622_100000036424 [0,1,0,0,0,0|2,0,0]=3 959 B16R2.71 Clc1ncccc1SCc2cccnn2 62a_100000036424_100016990269 [0,1,0,0,0,0|3,0,0]=4 960 B16R2.71 Clc1ncccc1SCc2cccnn2 62a_100016990269_100000036424 [0,1,0,0,0,0|3,0,0]=4 961 B16R2.71 Clc1ncccc1SCc2ccncc2 62a_100000036424_100015193705 [0,1,0,0,0,0|3,0,0]=4 962 B16R2.71 Clc1ncccc1SCc2ccncc2 62a_100015193705_100000036424 [0,1,0,0,0,0|3,0,0]=4 963 B16R2.71 Clc1ncccc1SCc2cnccn2 62a_100000036424_100016995436 [0,1,0,0,0,0|3,0,0]=4 964 B16R2.71 Clc1ncccc1SCc2cnccn2 62a_100016995436_100000036424 [0,1,0,0,0,0|3,0,0]=4 965 B16R2.71 Clc1ncccc1SCc2cncnc2 62a_100000036424_100015196519 [0,1,0,0,0,0|3,0,0]=4 966 B16R2.71 Clc1ncccc1SCc2cncnc2 62a_100015196519_100000036424 [0,1,0,0,0,0|3,0,0]=4 967 B16R2.71 Clc1nccnc1CNc2cccnn2 27a_100000729963_100016991348 [0,1,0,0,0,0|3,0,0]=4 968 B16R2.71 Clc1nccnc1CNc2ccncn2 27a_100000729963_100000703185 [0,1,0,0,0,0|3,0,0]=4 969 B16R2.71 Clc1nccnc1CNc2cnccn2 27a_100000729963_100000211759 [0,1,0,0,0,0|3,0,0]=4 970 B16R2.71 Clc1nccnc1CNc2ncccn2 27a_100000729963_100000211032 [0,1,0,0,0,0|3,0,0]=4 971 B16R2.71 Clc1nccnc1SCc2ccccc2 62a_100000211182_100010886584 [0,1,0,0,0,0|3,0,0]=4 972 B16R2.71 Clc1nccnc1SCc2ccccc2 62a_100010886584_100015291786 [0,1,0,0,0,0|3,0,0]=4 973 B16R2.71 Clc1nccnc1SCc2cccnc2 62a_100000741622_100010886584 [0,1,0,0,0,0|3,0,0]=4 974 B16R2.71 Clc1nccnc1SCc2cccnc2 62a_100010886584_100000741622 [0,1,0,0,0,0|3,0,0]=4 975 B16R2.71 Clc1ncncc1C#Cc2ccccc2 271570a_100000069678_100000758962 [0,1,0,0,0,0|2,0,1]=4 976 B16R2.71 Clc1ncncc1C=Cc2ccccc2 271570a_100102527694_100000758962 [0,1,0,0,0,0|2,0,1]=4 977 B16R2.71 Clc1ncncc1SCc2ccccc2 62a_100000211182_100000758962 [0,1,0,0,0,0|3,0,0]=4 978 B16R2.71 Clc1ncncc1SCc2ccccc2 62a_100000758962_100015291786 [0,1,0,0,0,0|3,0,0]=4 979 B16R2.71 Clc1ncncc1SCc2cccnc2 62a_100000741622_100000758962 [0,1,0,0,0,0|3,0,0]=4 980 B16R2.71 Clc1ncncc1SCc2cccnc2 62a_100000758962_100000741622 [0,1,0,0,0,0|3,0,0]=4 981 B16R2.71 Fc1ccccc1C#Cc2ccccc2 271570a_100000069678_100011215700 [0,1,0,0,0,0|2,0,1]=4 982 B16R2.71 Fc1ccccc1C=Cc2ccccc2 271570a_100102527694_100011215700 [0,1,0,0,0,0|2,0,1]=4 983 B16R2.71 Fc1ccccc1C=Cc2ccccc2 271570a_200102527919_100000210277 [0,1,0,0,0,0|2,0,1]=4 984 B16R2.71 Fc1ccccc1C=Cc2cccnc2 271570a_100102525586_100011215700 [0,1,0,0,0,0|1,0,1]=3 985 B16R2.71 Fc1ccccc1C=Cc2cccnc2 271570a_200102527919_100000752921 [0,1,0,0,0,0|1,0,1]=3 986 B16R2.71 Fc1ccccc1C=Cc2cccnn2 271570a_200102527919_100016991348 [0,1,0,0,0,0|2,0,1]=4 987 B16R2.71 Fc1ccccc1C=Cc2ccnnc2 271570a_200102527919_100000732662 [0,1,0,0,0,0|2,0,1]=4 988 B16R2.71 Fc1ccccc1C=Cc2cnccn2 271570a_200102527919_100000758340 [0,1,0,0,0,0|2,0,1]=4 989 B16R2.71 Fc1ccccc1C=Cc2cncnc2 271570a_200102527919_100011206942 [0,1,0,0,0,0|2,0,1]=4 990 B16R2.71 Fc1ccccc1CNc2ccccc2 207a_100000106764_100000210811 [0,1,0,0,0,0|1,0,0]=2 991 B16R2.71 Fc1ccccc1CNc2ccccc2 270302a_100000106764_100000210811 [0,1,0,0,0,0|1,0,0]=2 992 B16R2.71 Fc1ccccc1CNc2ccccc2 34a_100000106764_100000211605 [0,1,0,0,0,0|1,0,0]=2 993 B16R2.71 Fc1ccccc1CNc2cccnn2 27a_100000174869_100016991348 [0,1,0,0,0,0|3,0,0]=4 994 B16R2.71 Fc1ccccc1CNc2ccncn2 27a_100000174869_100000703185 [0,1,0,0,0,0|3,0,0]=4 995 B16R2.71 Fc1ccccc1CNc2cnccn2 27a_100000174869_100000211759 [0,1,0,0,0,0|3,0,0]=4 996 B16R2.71 Fc1ccccc1CNc2ncccn2 27a_100000174869_100000211032 [0,1,0,0,0,0|3,0,0]=4 997 B16R2.71 Fc1ccccc1COc2ccccc2 34a_100000210340_100000211605 [0,1,0,0,0,0|2,0,0]=3 998 B16R2.71 Fc1ccccc1COc2ccccc2 7a_100000210340_100000211605 [0,1,0,0,0,0|2,0,0]=3 999 B16R2.71 Fc1ccccc1COc2cccnc2 34a_100000210849_100000211605 [0,1,0,0,0,0|2,0,0]=3 1000 B16R2.71 Fc1ccccc1COc2cccnc2 7a_100000210849_100000211605 [0,1,0,0,0,0|2,0,0]=3 1001 B16R2.71 Fc1ccccc1COc2ccncc2 34a_100000212176_100000211605 [0,1,0,0,0,0|3,0,0]=4 1002 B16R2.71 Fc1ccccc1COc2ccnnc2 34a_100015204005_100000211605 [0,1,0,0,0,0|3,0,0]=4 1003 B16R2.71 Fc1ccccc1COc2cncnc2 7a_100000754086_100000211605 [0,1,0,0,0,0|3,0,0]=4 1004 B16R2.71 Fc1ccccc1CSc2ccccc2 62a_100000211605_100000041952 [0,1,0,0,0,0|2,0,0]=3 1005 B16R2.71 Fc1ccccc1CSc2ccccc2 62a_100000719477_100000211605 [0,1,0,0,0,0|2,0,0]=3 1006 B16R2.71 Fc1ccccc1CSc2ccccn2 62a_100000211605_100011216584 [0,1,0,0,0,0|3,0,0]=4 1007 B16R2.71 Fc1ccccc1CSc2ccccn2 62a_100011216584_100000211605 [0,1,0,0,0,0|3,0,0]=4 1008 B16R2.71 Fc1ccccc1CSc2cccnc2 62a_100000210063_100000211605 [0,1,0,0,0,0|2,0,0]=3 1009 B16R2.71 Fc1ccccc1CSc2cccnc2 62a_100000211605_100000210063 [0,1,0,0,0,0|2,0,0]=3 1010 B16R2.71 Fc1ccccc1CSc2cccnn2 62a_100000211605_100016991348 [0,1,0,0,0,0|3,0,0]=4 1011 B16R2.71 Fc1ccccc1CSc2cccnn2 62a_100016991348_100000211605 [0,1,0,0,0,0|3,0,0]=4 1012 B16R2.71 Fc1ccccc1CSc2ccncc2 62a_100000211605_100000728582 [0,1,0,0,0,0|3,0,0]=4 1013 B16R2.71 Fc1ccccc1CSc2ccncc2 62a_100000728582_100000211605 [0,1,0,0,0,0|3,0,0]=4 1014 B16R2.71 Fc1ccccc1CSc2ccnnc2 62a_100000211605_100000732662 [0,1,0,0,0,0|3,0,0]=4 1015 B16R2.71 Fc1ccccc1CSc2ccnnc2 62a_100000732662_100000211605 [0,1,0,0,0,0|3,0,0]=4 1016 B16R2.71 Fc1ccccc1CSc2cnccn2 62a_100000211605_100000211759 [0,1,0,0,0,0|3,0,0]=4 1017 B16R2.71 Fc1ccccc1CSc2cnccn2 62a_100000211759_100000211605 [0,1,0,0,0,0|3,0,0]=4 1018 B16R2.71 Fc1ccccc1CSc2cncnc2 62a_100000211605_100011206942 [0,1,0,0,0,0|3,0,0]=4 1019 B16R2.71 Fc1ccccc1CSc2cncnc2 62a_100011206942_100000211605 [0,1,0,0,0,0|3,0,0]=4 1020 B16R2.71 Fc1ccccc1NCc2ccccc2 207a_100000210422_100015611070 [0,1,0,0,0,0|1,0,0]=2 1021 B16R2.71 Fc1ccccc1NCc2ccccc2 34a_100000210422_100015291786 [0,1,0,0,0,0|1,0,0]=2 1022 B16R2.71 Fc1ccccc1NCc2ccccn2 207a_100000210422_100000209966 [0,1,0,0,0,0|2,0,0]=3 1023 B16R2.71 Fc1ccccc1NCc2ccccn2 34a_100000210422_100000721315 [0,1,0,0,0,0|2,0,0]=3 1024 B16R2.71 Fc1ccccc1NCc2cccnc2 207a_100000210422_100000209961 [0,1,0,0,0,0|0,0,0]=1 1025 B16R2.71 Fc1ccccc1NCc2cccnc2 34a_100000210422_100000733263 [0,1,0,0,0,0|0,0,0]=1 1026 B16R2.71 Fc1ccccc1NCc2cccnn2 34a_100000210422_100016990269 [0,1,0,0,0,0|1,0,0]=2 1027 B16R2.71 Fc1ccccc1NCc2ccncc2 207a_100000210422_100000186114 [0,1,0,0,0,0|2,0,0]=3 1028 B16R2.71 Fc1ccccc1NCc2cnccn2 34a_100000210422_100016995436 [0,1,0,0,0,0|1,0,0]=2 1029 B16R2.71 Fc1ccccc1NCc2cncnc2 34a_100000210422_100015196519 [0,1,0,0,0,0|1,0,0]=2 1030 B16R2.71 Fc1ccccc1NCc2ncccn2 34a_100000210422_100000703007 [0,1,0,0,0,0|3,0,0]=4 1031 B16R2.71 Fc1ccccc1OCc2ccccc2 34a_100000210171_100015291786 [0,1,0,0,0,0|2,0,0]=3 1032 B16R2.71 Fc1ccccc1OCc2ccccc2 7a_100000210171_100000211182 [0,1,0,0,0,0|2,0,0]=3 1033 B16R2.71 Fc1ccccc1OCc2ccccn2 34a_100000210171_100000721315 [0,1,0,0,0,0|3,0,0]=4 1034 B16R2.71 Fc1ccccc1OCc2ccccn2 7a_100000210171_100000721315 [0,1,0,0,0,0|3,0,0]=4 1035 B16R2.71 Fc1ccccc1OCc2cccnc2 34a_100000210171_100000733263 [0,1,0,0,0,0|1,0,0]=2 1036 B16R2.71 Fc1ccccc1OCc2cccnc2 7a_100000210171_100000741622 [0,1,0,0,0,0|1,0,0]=2 1037 B16R2.71 Fc1ccccc1OCc2cccnn2 34a_100000210171_100016990269 [0,1,0,0,0,0|2,0,0]=3 1038 B16R2.71 Fc1ccccc1OCc2cccnn2 7a_100000210171_100016990269 [0,1,0,0,0,0|2,0,0]=3 1039 B16R2.71 Fc1ccccc1OCc2ccncc2 7a_100000210171_100015193705 [0,1,0,0,0,0|3,0,0]=4 1040 B16R2.71 Fc1ccccc1OCc2cnccn2 34a_100000210171_100016995436 [0,1,0,0,0,0|2,0,0]=3 1041 B16R2.71 Fc1ccccc1OCc2cnccn2 7a_100000210171_100016995436 [0,1,0,0,0,0|2,0,0]=3 1042 B16R2.71 Fc1ccccc1OCc2cncnc2 34a_100000210171_100015196519 [0,1,0,0,0,0|2,0,0]=3 1043 B16R2.71 Fc1ccccc1OCc2cncnc2 7a_100000210171_100015196519 [0,1,0,0,0,0|2,0,0]=3 1044 B16R2.71 Fc1ccccc1SCc2ccccc2 62a_100000211182_100011215700 [0,1,0,0,0,0|2,0,0]=3 1045 B16R2.71 Fc1ccccc1SCc2ccccc2 62a_100011215700_100015291786 [0,1,0,0,0,0|2,0,0]=3 1046 B16R2.71 Fc1ccccc1SCc2ccccn2 62a_100000721315_100011215700 [0,1,0,0,0,0|3,0,0]=4 1047 B16R2.71 Fc1ccccc1SCc2ccccn2 62a_100011215700_100000721315 [0,1,0,0,0,0|3,0,0]=4 1048 B16R2.71 Fc1ccccc1SCc2cccnc2 62a_100000741622_100011215700 [0,1,0,0,0,0|1,0,0]=2 1049 B16R2.71 Fc1ccccc1SCc2cccnc2 62a_100011215700_100000741622 [0,1,0,0,0,0|1,0,0]=2 1050 B16R2.71 Fc1ccccc1SCc2cccnn2 62a_100011215700_100016990269 [0,1,0,0,0,0|2,0,0]=3 1051 B16R2.71 Fc1ccccc1SCc2cccnn2 62a_100016990269_100011215700 [0,1,0,0,0,0|2,0,0]=3 1052 B16R2.71 Fc1ccccc1SCc2ccncc2 62a_100011215700_100015193705 [0,1,0,0,0,0|3,0,0]=4 1053 B16R2.71 Fc1ccccc1SCc2ccncc2 62a_100015193705_100011215700 [0,1,0,0,0,0|3,0,0]=4 1054 B16R2.71 Fc1ccccc1SCc2cnccn2 62a_100011215700_100016995436 [0,1,0,0,0,0|2,0,0]=3 1055 B16R2.71 Fc1ccccc1SCc2cnccn2 62a_100016995436_100011215700 [0,1,0,0,0,0|2,0,0]=3 1056 B16R2.71 Fc1ccccc1SCc2cncnc2 62a_100011215700_100015196519 [0,1,0,0,0,0|2,0,0]=3 1057 B16R2.71 Fc1ccccc1SCc2cncnc2 62a_100015196519_100011215700 [0,1,0,0,0,0|2,0,0]=3 1058 B16R2.71 Fc1cccnc1C=Cc2cccnc2 271570a_100102525586_100000685392 [0,1,0,0,0,0|2,0,1]=4 1059 B16R2.71 Fc1cccnc1CNc2ccccc2 207a_100000106764_100011934734 [0,1,0,0,0,0|2,0,0]=3 1060 B16R2.71 Fc1cccnc1CNc2ccccc2 34a_100000106764_100000104219 [0,1,0,0,0,0|2,0,0]=3 1061 B16R2.71 Fc1cccnc1COc2ccccc2 34a_100000210340_100000104219 [0,1,0,0,0,0|3,0,0]=4 1062 B16R2.71 Fc1cccnc1COc2ccccc2 7a_100000210340_100000104219 [0,1,0,0,0,0|3,0,0]=4 1063 B16R2.71 Fc1cccnc1COc2cccnc2 34a_100000210849_100000104219 [0,1,0,0,0,0|3,0,0]=4 1064 B16R2.71 Fc1cccnc1COc2cccnc2 7a_100000210849_100000104219 [0,1,0,0,0,0|3,0,0]=4 1065 B16R2.71 Fc1cccnc1CSc2ccccc2 62a_100000104219_100000041952 [0,1,0,0,0,0|3,0,0]=4 1066 B16R2.71 Fc1cccnc1CSc2ccccc2 62a_100000719477_100000104219 [0,1,0,0,0,0|3,0,0]=4 1067 B16R2.71 Fc1cccnc1CSc2cccnc2 62a_100000104219_100000210063 [0,1,0,0,0,0|3,0,0]=4 1068 B16R2.71 Fc1cccnc1CSc2cccnc2 62a_100000210063_100000104219 [0,1,0,0,0,0|3,0,0]=4 1069 B16R2.71 Fc1cccnc1OCc2ccccc2 34a_100011219419_100015291786 [0,1,0,0,0,0|3,0,0]=4 1070 B16R2.71 Fc1cccnc1OCc2cccnc2 34a_100011219419_100000733263 [0,1,0,0,0,0|2,0,0]=3 1071 B16R2.71 Fc1cccnc1OCc2cccnn2 34a_100011219419_100016990269 [0,1,0,0,0,0|3,0,0]=4 1072 B16R2.71 Fc1cccnc1OCc2cnccn2 34a_100011219419_100016995436 [0,1,0,0,0,0|3,0,0]=4 1073 B16R2.71 Fc1cccnc1OCc2cncnc2 34a_100011219419_100015196519 [0,1,0,0,0,0|3,0,0]=4 1074 B16R2.71 Fc1cccnc1SCc2ccccc2 62a_100000211182_100000685392 [0,1,0,0,0,0|3,0,0]=4 1075 B16R2.71 Fc1cccnc1SCc2ccccc2 62a_100000685392_100015291786 [0,1,0,0,0,0|3,0,0]=4 1076 B16R2.71 Fc1cccnc1SCc2cccnc2 62a_100000685392_100000741622 [0,1,0,0,0,0|2,0,0]=3 1077 B16R2.71 Fc1cccnc1SCc2cccnc2 62a_100000741622_100000685392 [0,1,0,0,0,0|2,0,0]=3 1078 B16R2.71 Fc1cccnc1SCc2cccnn2 62a_100000685392_100016990269 [0,1,0,0,0,0|3,0,0]=4 1079 B16R2.71 Fc1cccnc1SCc2cccnn2 62a_100016990269_100000685392 [0,1,0,0,0,0|3,0,0]=4 1080 B16R2.71 Fc1cccnc1SCc2cnccn2 62a_100000685392_100016995436 [0,1,0,0,0,0|3,0,0]=4 1081 B16R2.71 Fc1cccnc1SCc2cnccn2 62a_100016995436_100000685392 [0,1,0,0,0,0|3,0,0]=4 1082 B16R2.71 Fc1cccnc1SCc2cncnc2 62a_100000685392_100015196519 [0,1,0,0,0,0|3,0,0]=4 1083 B16R2.71 Fc1cccnc1SCc2cncnc2 62a_100015196519_100000685392 [0,1,0,0,0,0|3,0,0]=4 1084 B16R2.71 Fc1ccncc1C#Cc2ccccc2 271570a_100000069678_100009820683 [0,1,0,0,0,0|1,0,1]=3 1085 B16R2.71 Fc1ccncc1C=Cc2ccccc2 271570a_100102527694_100009820683 [0,1,0,0,0,0|1,0,1]=3 1086 B16R2.71 Fc1ccncc1C=Cc2cccnc2 271570a_100102525586_100009820683 [0,1,0,0,0,0|2,0,1]=4 1087 B16R2.71 Fc1ccncc1SCc2ccccc2 62a_100000211182_100009820683 [0,1,0,0,0,0|2,0,0]=3 1088 B16R2.71 Fc1ccncc1SCc2ccccc2 62a_100009820683_100015291786 [0,1,0,0,0,0|2,0,0]=3 1089 B16R2.71 Fc1ccncc1SCc2ccccn2 62a_100000721315_100009820683 [0,1,0,0,0,0|3,0,0]=4 1090 B16R2.71 Fc1ccncc1SCc2ccccn2 62a_100009820683_100000721315 [0,1,0,0,0,0|3,0,0]=4 1091 B16R2.71 Fc1ccncc1SCc2cccnc2 62a_100000741622_100009820683 [0,1,0,0,0,0|2,0,0]=3 1092 B16R2.71 Fc1ccncc1SCc2cccnc2 62a_100009820683_100000741622 [0,1,0,0,0,0|2,0,0]=3 1093 B16R2.71 Fc1ccncc1SCc2cccnn2 62a_100009820683_100016990269 [0,1,0,0,0,0|3,0,0]=4 1094 B16R2.71 Fc1ccncc1SCc2cccnn2 62a_100016990269_100009820683 [0,1,0,0,0,0|3,0,0]=4 1095 B16R2.71 Fc1ccncc1SCc2ccncc2 62a_100009820683_100015193705 [0,1,0,0,0,0|3,0,0]=4 1096 B16R2.71 Fc1ccncc1SCc2ccncc2 62a_100015193705_100009820683 [0,1,0,0,0,0|3,0,0]=4 1097 B16R2.71 Fc1ccncc1SCc2cnccn2 62a_100009820683_100016995436 [0,1,0,0,0,0|3,0,0]=4 1098 B16R2.71 Fc1ccncc1SCc2cnccn2 62a_100016995436_100009820683 [0,1,0,0,0,0|3,0,0]=4 1099 B16R2.71 Fc1ccncc1SCc2cncnc2 62a_100009820683_100015196519 [0,1,0,0,0,0|3,0,0]=4 1100 B16R2.71 Fc1ccncc1SCc2cncnc2 62a_100015196519_100009820683 [0,1,0,0,0,0|3,0,0]=4 1101 B16R2.71 Fc1cnccc1C=Cc2cccnc2 271570a_100102525586_100000047030 [0,1,0,0,0,0|2,0,1]=4 1102 B16R2.71 Fc1cnccc1NCc2ccccc2 27a_100015324214_100000035921 [0,1,0,0,0,0|2,0,0]=3 1103 B16R2.71 Fc1cnccc1NCc2ccccn2 27a_100000210449_100000035921 [0,1,0,0,0,0|3,0,0]=4 1104 B16R2.71 Fc1cnccc1NCc2cccnc2 27a_100000210453_100000035921 [0,1,0,0,0,0|1,0,0]=2 1105 B16R2.71 Fc1cnccc1NCc2cccnn2 27a_100159270163_100000035921 [0,1,0,0,0,0|2,0,0]=3 1106 B16R2.71 Fc1cnccc1NCc2ccncc2 27a_100000210450_100000035921 [0,1,0,0,0,0|3,0,0]=4 1107 B16R2.71 Fc1cnccc1NCc2cnccn2 27a_100000737960_100000035921 [0,1,0,0,0,0|2,0,0]=3 1108 B16R2.71 Fc1cnccc1NCc2cncnc2 27a_100011243677_100000035921 [0,1,0,0,0,0|2,0,0]=3 1109 B16R2.71 Fc1cnccc1OCc2ccccc2 34a_200000081243_100015291786 [0,1,0,0,0,0|3,0,0]=4 1110 B16R2.71 Fc1cnccc1OCc2cccnc2 34a_200000081243_100000733263 [0,1,0,0,0,0|2,0,0]=3 1111 B16R2.71 Fc1cnccc1OCc2cccnn2 34a_200000081243_100016990269 [0,1,0,0,0,0|3,0,0]=4 1112 B16R2.71 Fc1cnccc1OCc2cnccn2 34a_200000081243_100016995436 [0,1,0,0,0,0|3,0,0]=4 1113 B16R2.71 Fc1cnccc1OCc2cncnc2 34a_200000081243_100015196519 [0,1,0,0,0,0|3,0,0]=4 1114 B16R2.71 Fc1cnccc1SCc2ccccc2 62a_100000047030_100015291786 [0,1,0,0,0,0|3,0,0]=4 1115 B16R2.71 Fc1cnccc1SCc2ccccc2 62a_100000211182_100000047030 [0,1,0,0,0,0|3,0,0]=4 1116 B16R2.71 Fc1cnccc1SCc2cccnc2 62a_100000047030_100000741622 [0,1,0,0,0,0|2,0,0]=3 1117 B16R2.71 Fc1cnccc1SCc2cccnc2 62a_100000741622_100000047030 [0,1,0,0,0,0|2,0,0]=3 1118 B16R2.71 Fc1cnccc1SCc2cccnn2 62a_100000047030_100016990269 [0,1,0,0,0,0|3,0,0]=4 1119 B16R2.71 Fc1cnccc1SCc2cccnn2 62a_100016990269_100000047030 [0,1,0,0,0,0|3,0,0]=4 1120 B16R2.71 Fc1cnccc1SCc2cnccn2 62a_100000047030_100016995436 [0,1,0,0,0,0|3,0,0]=4 1121 B16R2.71 Fc1cnccc1SCc2cnccn2 62a_100016995436_100000047030 [0,1,0,0,0,0|3,0,0]=4 1122 B16R2.71 Fc1cnccc1SCc2cncnc2 62a_100000047030_100015196519 [0,1,0,0,0,0|3,0,0]=4 1123 B16R2.71 Fc1cnccc1SCc2cncnc2 62a_100015196519_100000047030 [0,1,0,0,0,0|3,0,0]=4 1124 B16R2.71 Fc1cncnc1NCc2ccccc2 27a_100015324214_100000069762 [0,1,0,0,0,0|3,0,0]=4 1125 B16R2.71 Fc1cncnc1NCc2cccnc2 27a_100000210453_100000069762 [0,1,0,0,0,0|2,0,0]=3 1126 B16R2.71 Fc1cncnc1NCc2cccnn2 27a_100159270163_100000069762 [0,1,0,0,0,0|3,0,0]=4 1127 B16R2.71 Fc1cncnc1NCc2cnccn2 27a_100000737960_100000069762 [0,1,0,0,0,0|3,0,0]=4 1128 B16R2.71 Fc1cncnc1NCc2cncnc2 27a_100011243677_100000069762 [0,1,0,0,0,0|3,0,0]=4 1129 B16R2.71 Fc1cncnc1SCc2cccnc2 62a_100000069762_100000741622 [0,1,0,0,0,0|3,0,0]=4 1130 B16R2.71 Fc1cncnc1SCc2cccnc2 62a_100000741622_100000069762 [0,1,0,0,0,0|3,0,0]=4 1131 B16R2.71 Fc1ncccc1C#Cc2ccccc2 271570a_100000069678_100009816115 [0,1,0,0,0,0|1,0,1]=3 1132 B16R2.71 Fc1ncccc1C=Cc2ccccc2 271570a_100102527694_100009816115 [0,1,0,0,0,0|1,0,1]=3 1133 B16R2.71 Fc1ncccc1C=Cc2cccnc2 271570a_100102525586_100009816115 [0,1,0,0,0,0|2,0,1]=4 1134 B16R2.71 Fc1ncccc1CNc2ccccc2 34a_100000106764_100000099810 [0,1,0,0,0,0|0,0,0]=1 1135 B16R2.71 Fc1ncccc1CNc2cccnn2 27a_100000724633_100016991348 [0,1,0,0,0,0|2,0,0]=3 1136 B16R2.71 Fc1ncccc1CNc2ccncn2 27a_100000724633_100000703185 [0,1,0,0,0,0|2,0,0]=3 1137 B16R2.71 Fc1ncccc1CNc2cnccn2 27a_100000724633_100000211759 [0,1,0,0,0,0|2,0,0]=3 1138 B16R2.71 Fc1ncccc1CNc2ncccn2 27a_100000724633_100000211032 [0,1,0,0,0,0|2,0,0]=3 1139 B16R2.71 Fc1ncccc1COc2ccccc2 34a_100000210340_100000099810 [0,1,0,0,0,0|1,0,0]=2 1140 B16R2.71 Fc1ncccc1COc2ccccc2 7a_100000210340_100000099810 [0,1,0,0,0,0|1,0,0]=2 1141 B16R2.71 Fc1ncccc1COc2cccnc2 34a_100000210849_100000099810 [0,1,0,0,0,0|2,0,0]=3 1142 B16R2.71 Fc1ncccc1COc2cccnc2 7a_100000210849_100000099810 [0,1,0,0,0,0|2,0,0]=3 1143 B16R2.71 Fc1ncccc1COc2ccncc2 34a_100000212176_100000099810 [0,1,0,0,0,0|2,0,0]=3 1144 B16R2.71 Fc1ncccc1COc2ccnnc2 34a_100015204005_100000099810 [0,1,0,0,0,0|3,0,0]=4 1145 B16R2.71 Fc1ncccc1COc2cncnc2 7a_100000754086_100000099810 [0,1,0,0,0,0|3,0,0]=4 1146 B16R2.71 Fc1ncccc1CSc2ccccc2 62a_100000099810_100000041952 [0,1,0,0,0,0|1,0,0]=2 1147 B16R2.71 Fc1ncccc1CSc2ccccc2 62a_100000719477_100000099810 [0,1,0,0,0,0|1,0,0]=2 1148 B16R2.71 Fc1ncccc1CSc2ccccn2 62a_100000099810_100011216584 [0,1,0,0,0,0|2,0,0]=3 1149 B16R2.71 Fc1ncccc1CSc2ccccn2 62a_100011216584_100000099810 [0,1,0,0,0,0|2,0,0]=3 1150 B16R2.71 Fc1ncccc1CSc2cccnc2 62a_100000099810_100000210063 [0,1,0,0,0,0|2,0,0]=3 1151 B16R2.71 Fc1ncccc1CSc2cccnc2 62a_100000210063_100000099810 [0,1,0,0,0,0|2,0,0]=3 1152 B16R2.71 Fc1ncccc1CSc2cccnn2 62a_100000099810_100016991348 [0,1,0,0,0,0|3,0,0]=4 1153 B16R2.71 Fc1ncccc1CSc2cccnn2 62a_100016991348_100000099810 [0,1,0,0,0,0|3,0,0]=4 1154 B16R2.71 Fc1ncccc1CSc2ccncc2 62a_100000099810_100000728582 [0,1,0,0,0,0|2,0,0]=3 1155 B16R2.71 Fc1ncccc1CSc2ccncc2 62a_100000728582_100000099810 [0,1,0,0,0,0|2,0,0]=3 1156 B16R2.71 Fc1ncccc1CSc2ccncn2 62a_100000099810_100000703185 [0,1,0,0,0,0|3,0,0]=4 1157 B16R2.71 Fc1ncccc1CSc2ccncn2 62a_100000703185_100000099810 [0,1,0,0,0,0|3,0,0]=4 1158 B16R2.71 Fc1ncccc1CSc2ccnnc2 62a_100000099810_100000732662 [0,1,0,0,0,0|3,0,0]=4 1159 B16R2.71 Fc1ncccc1CSc2ccnnc2 62a_100000732662_100000099810 [0,1,0,0,0,0|3,0,0]=4 1160 B16R2.71 Fc1ncccc1CSc2cnccn2 62a_100000099810_100000211759 [0,1,0,0,0,0|3,0,0]=4 1161 B16R2.71 Fc1ncccc1CSc2cnccn2 62a_100000211759_100000099810 [0,1,0,0,0,0|3,0,0]=4 1162 B16R2.71 Fc1ncccc1CSc2cncnc2 62a_100000099810_100011206942 [0,1,0,0,0,0|3,0,0]=4 1163 B16R2.71 Fc1ncccc1CSc2cncnc2 62a_100011206942_100000099810 [0,1,0,0,0,0|3,0,0]=4 1164 B16R2.71 Fc1ncccc1CSc2ncccn2 62a_100000099810_100000211032 [0,1,0,0,0,0|3,0,0]=4 1165 B16R2.71 Fc1ncccc1CSc2ncccn2 62a_100000211032_100000099810 [0,1,0,0,0,0|3,0,0]=4 1166 B16R2.71 Fc1ncccc1OCc2ccccc2 34a_100000061740_100015291786 [0,1,0,0,0,0|2,0,0]=3 1167 B16R2.71 Fc1ncccc1OCc2ccccc2 7a_100000061740_100000211182 [0,1,0,0,0,0|2,0,0]=3 1168 B16R2.71 Fc1ncccc1OCc2ccccn2 34a_100000061740_100000721315 [0,1,0,0,0,0|3,0,0]=4 1169 B16R2.71 Fc1ncccc1OCc2ccccn2 7a_100000061740_100000721315 [0,1,0,0,0,0|3,0,0]=4 1170 B16R2.71 Fc1ncccc1OCc2cccnc2 34a_100000061740_100000733263 [0,1,0,0,0,0|2,0,0]=3 1171 B16R2.71 Fc1ncccc1OCc2cccnc2 7a_100000061740_100000741622 [0,1,0,0,0,0|2,0,0]=3 1172 B16R2.71 Fc1ncccc1OCc2cccnn2 34a_100000061740_100016990269 [0,1,0,0,0,0|3,0,0]=4 1173 B16R2.71 Fc1ncccc1OCc2cccnn2 7a_100000061740_100016990269 [0,1,0,0,0,0|3,0,0]=4 1174 B16R2.71 Fc1ncccc1OCc2ccncc2 7a_100000061740_100015193705 [0,1,0,0,0,0|3,0,0]=4 1175 B16R2.71 Fc1ncccc1OCc2cnccn2 34a_100000061740_100016995436 [0,1,0,0,0,0|3,0,0]=4 1176 B16R2.71 Fc1ncccc1OCc2cnccn2 7a_100000061740_100016995436 [0,1,0,0,0,0|3,0,0]=4 1177 B16R2.71 Fc1ncccc1OCc2cncnc2 34a_100000061740_100015196519 [0,1,0,0,0,0|3,0,0]=4 1178 B16R2.71 Fc1ncccc1OCc2cncnc2 7a_100000061740_100015196519 [0,1,0,0,0,0|3,0,0]=4 1179 B16R2.71 Fc1ncccc1SCc2ccccc2 62a_100000211182_100009816115 [0,1,0,0,0,0|2,0,0]=3 1180 B16R2.71 Fc1ncccc1SCc2ccccc2 62a_100009816115_100015291786 [0,1,0,0,0,0|2,0,0]=3 1181 B16R2.71 Fc1ncccc1SCc2ccccn2 62a_100000721315_100009816115 [0,1,0,0,0,0|3,0,0]=4 1182 B16R2.71 Fc1ncccc1SCc2ccccn2 62a_100009816115_100000721315 [0,1,0,0,0,0|3,0,0]=4 1183 B16R2.71 Fc1ncccc1SCc2cccnc2 62a_100000741622_100009816115 [0,1,0,0,0,0|2,0,0]=3 1184 B16R2.71 Fc1ncccc1SCc2cccnc2 62a_100009816115_100000741622 [0,1,0,0,0,0|2,0,0]=3 1185 B16R2.71 Fc1ncccc1SCc2cccnn2 62a_100009816115_100016990269 [0,1,0,0,0,0|3,0,0]=4 1186 B16R2.71 Fc1ncccc1SCc2cccnn2 62a_100016990269_100009816115 [0,1,0,0,0,0|3,0,0]=4 1187 B16R2.71 Fc1ncccc1SCc2ccncc2 62a_100009816115_100015193705 [0,1,0,0,0,0|3,0,0]=4 1188 B16R2.71 Fc1ncccc1SCc2ccncc2 62a_100015193705_100009816115 [0,1,0,0,0,0|3,0,0]=4 1189 B16R2.71 Fc1ncccc1SCc2cnccn2 62a_100009816115_100016995436 [0,1,0,0,0,0|3,0,0]=4 1190 B16R2.71 Fc1ncccc1SCc2cnccn2 62a_100016995436_100009816115 [0,1,0,0,0,0|3,0,0]=4 1191 B16R2.71 Fc1ncccc1SCc2cncnc2 62a_100009816115_100015196519 [0,1,0,0,0,0|3,0,0]=4 1192 B16R2.71 Fc1ncccc1SCc2cncnc2 62a_100015196519_100009816115 [0,1,0,0,0,0|3,0,0]=4 1193 B16R2.71 Fc1nccnc1C#Cc2ccccc2 271570a_100000069678_200010125657 [0,1,0,0,0,0|2,0,1]=4 1194 B16R2.71 Fc1nccnc1C=Cc2ccccc2 271570a_100102527694_200010125657 [0,1,0,0,0,0|2,0,1]=4 1195 B16R2.71 Fc1nccnc1NCc2ccccc2 27a_100015324214_200010125657 [0,1,0,0,0,0|3,0,0]=4 1196 B16R2.71 Fc1nccnc1NCc2cccnc2 27a_100000210453_200010125657 [0,1,0,0,0,0|2,0,0]=3 1197 B16R2.71 Fc1nccnc1NCc2cccnn2 27a_100159270163_200010125657 [0,1,0,0,0,0|3,0,0]=4 1198 B16R2.71 Fc1nccnc1NCc2cnccn2 27a_100000737960_200010125657 [0,1,0,0,0,0|3,0,0]=4 1199 B16R2.71 Fc1nccnc1NCc2cncnc2 27a_100011243677_200010125657 [0,1,0,0,0,0|3,0,0]=4 1200 B16R2.71 Fc1nccnc1SCc2ccccc2 62a_100000211182_200010125657 [0,1,0,0,0,0|3,0,0]=4 1201 B16R2.71 Fc1nccnc1SCc2ccccc2 62a_200010125657_100015291786 [0,1,0,0,0,0|3,0,0]=4 1202 B16R2.71 Fc1nccnc1SCc2cccnc2 62a_100000741622_200010125657 [0,1,0,0,0,0|3,0,0]=4 1203 B16R2.71 Fc1nccnc1SCc2cccnc2 62a_200010125657_100000741622 [0,1,0,0,0,0|3,0,0]=4 1204 B16R2.71 Ic1ccccc1CNc2ccccc2 207a_100000106764_100000010305 [0,1,0,0,0,0|1,0,0]=2 1205 B16R2.71 Ic1ccccc1CNc2ccccc2 34a_100000106764_100011215278 [0,1,0,0,0,0|1,0,0]=2 1206 B16R2.71 Ic1ccccc1CNc2cccnn2 27a_100015347259_100016991348 [0,1,0,0,0,0|3,0,0]=4 1207 B16R2.71 Ic1ccccc1CNc2ccncn2 27a_100015347259_100000703185 [0,1,0,0,0,0|3,0,0]=4 1208 B16R2.71 Ic1ccccc1CNc2cnccn2 27a_100015347259_100000211759 [0,1,0,0,0,0|3,0,0]=4 1209 B16R2.71 Ic1ccccc1CNc2ncccn2 27a_100015347259_100000211032 [0,1,0,0,0,0|3,0,0]=4 1210 B16R2.71 Ic1ccccc1COc2ccccc2 34a_100000210340_100011215278 [0,1,0,0,0,0|2,0,0]=3 1211 B16R2.71 Ic1ccccc1COc2ccccc2 7a_100000210340_100011215278 [0,1,0,0,0,0|2,0,0]=3 1212 B16R2.71 Ic1ccccc1COc2cccnc2 34a_100000210849_100011215278 [0,1,0,0,0,0|2,0,0]=3 1213 B16R2.71 Ic1ccccc1COc2cccnc2 7a_100000210849_100011215278 [0,1,0,0,0,0|2,0,0]=3 1214 B16R2.71 Ic1ccccc1COc2ccncc2 34a_100000212176_100011215278 [0,1,0,0,0,0|3,0,0]=4 1215 B16R2.71 Ic1ccccc1COc2ccnnc2 34a_100015204005_100011215278 [0,1,0,0,0,0|3,0,0]=4 1216 B16R2.71 Ic1ccccc1COc2cncnc2 7a_100000754086_100011215278 [0,1,0,0,0,0|3,0,0]=4 1217 B16R2.71 Ic1ccccc1CSc2ccccc2 62a_100000719477_100011216222 [0,1,0,0,0,0|2,0,0]=3 1218 B16R2.71 Ic1ccccc1CSc2ccccc2 62a_100011216222_100000041952 [0,1,0,0,0,0|2,0,0]=3 1219 B16R2.71 Ic1ccccc1CSc2ccccn2 62a_100011216222_100011216584 [0,1,0,0,0,0|3,0,0]=4 1220 B16R2.71 Ic1ccccc1CSc2ccccn2 62a_100011216584_100011216222 [0,1,0,0,0,0|3,0,0]=4 1221 B16R2.71 Ic1ccccc1CSc2cccnc2 62a_100000210063_100011216222 [0,1,0,0,0,0|2,0,0]=3 1222 B16R2.71 Ic1ccccc1CSc2cccnc2 62a_100011216222_100000210063 [0,1,0,0,0,0|2,0,0]=3 1223 B16R2.71 Ic1ccccc1CSc2cccnn2 62a_100011216222_100016991348 [0,1,0,0,0,0|3,0,0]=4 1224 B16R2.71 Ic1ccccc1CSc2cccnn2 62a_100016991348_100011216222 [0,1,0,0,0,0|3,0,0]=4 1225 B16R2.71 Ic1ccccc1CSc2ccncc2 62a_100000728582_100011216222 [0,1,0,0,0,0|3,0,0]=4 1226 B16R2.71 Ic1ccccc1CSc2ccncc2 62a_100011216222_100000728582 [0,1,0,0,0,0|3,0,0]=4 1227 B16R2.71 Ic1ccccc1CSc2ccnnc2 62a_100000732662_100011216222 [0,1,0,0,0,0|3,0,0]=4 1228 B16R2.71 Ic1ccccc1CSc2ccnnc2 62a_100011216222_100000732662 [0,1,0,0,0,0|3,0,0]=4 1229 B16R2.71 Ic1ccccc1CSc2cnccn2 62a_100000211759_100011216222 [0,1,0,0,0,0|3,0,0]=4 1230 B16R2.71 Ic1ccccc1CSc2cnccn2 62a_100011216222_100000211759 [0,1,0,0,0,0|3,0,0]=4 1231 B16R2.71 Ic1ccccc1CSc2cncnc2 62a_100011206942_100011216222 [0,1,0,0,0,0|3,0,0]=4 1232 B16R2.71 Ic1ccccc1CSc2cncnc2 62a_100011216222_100011206942 [0,1,0,0,0,0|3,0,0]=4 1233 B16R2.71 Ic1ccccc1NCc2ccccc2 207a_100000210053_100015611070 [0,1,0,0,0,0|1,0,0]=2 1234 B16R2.71 Ic1ccccc1NCc2ccccc2 34a_100000210053_100015291786 [0,1,0,0,0,0|1,0,0]=2 1235 B16R2.71 Ic1ccccc1NCc2ccccn2 207a_100000210053_100000209966 [0,1,0,0,0,0|2,0,0]=3 1236 B16R2.71 Ic1ccccc1NCc2ccccn2 34a_100000210053_100000721315 [0,1,0,0,0,0|2,0,0]=3 1237 B16R2.71 Ic1ccccc1NCc2cccnc2 207a_100000210053_100000209961 [0,1,0,0,0,0|0,0,0]=1 1238 B16R2.71 Ic1ccccc1NCc2cccnc2 34a_100000210053_100000733263 [0,1,0,0,0,0|0,0,0]=1 1239 B16R2.71 Ic1ccccc1NCc2cccnn2 34a_100000210053_100016990269 [0,1,0,0,0,0|1,0,0]=2 1240 B16R2.71 Ic1ccccc1NCc2ccncc2 207a_100000210053_100000186114 [0,1,0,0,0,0|2,0,0]=3 1241 B16R2.71 Ic1ccccc1NCc2cnccn2 34a_100000210053_100016995436 [0,1,0,0,0,0|1,0,0]=2 1242 B16R2.71 Ic1ccccc1NCc2cncnc2 34a_100000210053_100015196519 [0,1,0,0,0,0|1,0,0]=2 1243 B16R2.71 Ic1ccccc1NCc2ncccn2 34a_100000210053_100000703007 [0,1,0,0,0,0|3,0,0]=4 1244 B16R2.71 Ic1ccccc1OCc2ccccc2 34a_100000739446_100015291786 [0,1,0,0,0,0|2,0,0]=3 1245 B16R2.71 Ic1ccccc1OCc2ccccc2 7a_100000739446_100000211182 [0,1,0,0,0,0|2,0,0]=3 1246 B16R2.71 Ic1ccccc1OCc2ccccn2 34a_100000739446_100000721315 [0,1,0,0,0,0|3,0,0]=4 1247 B16R2.71 Ic1ccccc1OCc2ccccn2 7a_100000739446_100000721315 [0,1,0,0,0,0|3,0,0]=4 1248 B16R2.71 Ic1ccccc1OCc2cccnc2 34a_100000739446_100000733263 [0,1,0,0,0,0|1,0,0]=2 1249 B16R2.71 Ic1ccccc1OCc2cccnc2 7a_100000739446_100000741622 [0,1,0,0,0,0|1,0,0]=2 1250 B16R2.71 Ic1ccccc1OCc2cccnn2 34a_100000739446_100016990269 [0,1,0,0,0,0|2,0,0]=3 1251 B16R2.71 Ic1ccccc1OCc2cccnn2 7a_100000739446_100016990269 [0,1,0,0,0,0|2,0,0]=3 1252 B16R2.71 Ic1ccccc1OCc2ccncc2 7a_100000739446_100015193705 [0,1,0,0,0,0|3,0,0]=4 1253 B16R2.71 Ic1ccccc1OCc2cnccn2 34a_100000739446_100016995436 [0,1,0,0,0,0|2,0,0]=3 1254 B16R2.71 Ic1ccccc1OCc2cnccn2 7a_100000739446_100016995436 [0,1,0,0,0,0|2,0,0]=3 1255 B16R2.71 Ic1ccccc1OCc2cncnc2 34a_100000739446_100015196519 [0,1,0,0,0,0|2,0,0]=3 1256 B16R2.71 Ic1ccccc1OCc2cncnc2 7a_100000739446_100015196519 [0,1,0,0,0,0|2,0,0]=3 1257 B16R2.71 Ic1ccncc1OCc2ccccc2 34a_100000050107_100015291786 [0,1,0,0,0,0|2,0,0]=3 1258 B16R2.71 Ic1ccncc1OCc2ccccn2 34a_100000050107_100000721315 [0,1,0,0,0,0|3,0,0]=4 1259 B16R2.71 Ic1ccncc1OCc2cccnc2 34a_100000050107_100000733263 [0,1,0,0,0,0|2,0,0]=3 1260 B16R2.71 Ic1ccncc1OCc2cccnn2 34a_100000050107_100016990269 [0,1,0,0,0,0|3,0,0]=4 1261 B16R2.71 Ic1ccncc1OCc2cnccn2 34a_100000050107_100016995436 [0,1,0,0,0,0|3,0,0]=4 1262 B16R2.71 Ic1ccncc1OCc2cncnc2 34a_100000050107_100015196519 [0,1,0,0,0,0|3,0,0]=4 1263 B16R2.71 Ic1ncccc1OCc2ccccc2 34a_100000034122_100015291786 [0,1,0,0,0,0|2,0,0]=3 1264 B16R2.71 Ic1ncccc1OCc2ccccc2 7a_100000034122_100000211182 [0,1,0,0,0,0|2,0,0]=3 1265 B16R2.71 Ic1ncccc1OCc2ccccn2 34a_100000034122_100000721315 [0,1,0,0,0,0|3,0,0]=4 1266 B16R2.71 Ic1ncccc1OCc2ccccn2 7a_100000034122_100000721315 [0,1,0,0,0,0|3,0,0]=4 1267 B16R2.71 Ic1ncccc1OCc2cccnc2 34a_100000034122_100000733263 [0,1,0,0,0,0|2,0,0]=3 1268 B16R2.71 Ic1ncccc1OCc2cccnc2 7a_100000034122_100000741622 [0,1,0,0,0,0|2,0,0]=3 1269 B16R2.71 Ic1ncccc1OCc2cccnn2 34a_100000034122_100016990269 [0,1,0,0,0,0|3,0,0]=4 1270 B16R2.71 Ic1ncccc1OCc2cccnn2 7a_100000034122_100016990269 [0,1,0,0,0,0|3,0,0]=4 1271 B16R2.71 Ic1ncccc1OCc2ccncc2 7a_100000034122_100015193705 [0,1,0,0,0,0|3,0,0]=4 1272 B16R2.71 Ic1ncccc1OCc2cnccn2 34a_100000034122_100016995436 [0,1,0,0,0,0|3,0,0]=4 1273 B16R2.71 Ic1ncccc1OCc2cnccn2 7a_100000034122_100016995436 [0,1,0,0,0,0|3,0,0]=4 1274 B16R2.71 Ic1ncccc1OCc2cncnc2 34a_100000034122_100015196519 [0,1,0,0,0,0|3,0,0]=4 1275 B16R2.71 Ic1ncccc1OCc2cncnc2 7a_100000034122_100015196519 [0,1,0,0,0,0|3,0,0]=4 1276 B16R2.71 Nc1ccccc1C#Cc2ccccc2 271570a_100000069678_100000210017 [0,1,0,0,0,0|2,0,1]=4 1277 B16R2.71 Nc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000210017 [0,1,0,0,0,0|2,0,1]=4 1278 B16R2.71 Nc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000210017 [0,1,0,0,0,0|1,0,1]=3 1279 B16R2.71 Nc1ccccc1OCc2ccccc2 34a_100000185747_100015291786 [0,1,0,0,0,0|2,0,0]=3 1280 B16R2.71 Nc1ccccc1OCc2ccccc2 7a_100000185747_100000211182 [0,1,0,0,0,0|2,0,0]=3 1281 B16R2.71 Nc1ccccc1OCc2ccccn2 34a_100000185747_100000721315 [0,1,0,0,0,0|3,0,0]=4 1282 B16R2.71 Nc1ccccc1OCc2ccccn2 7a_100000185747_100000721315 [0,1,0,0,0,0|3,0,0]=4 1283 B16R2.71 Nc1ccccc1OCc2cccnc2 34a_100000185747_100000733263 [0,1,0,0,0,0|1,0,0]=2 1284 B16R2.71 Nc1ccccc1OCc2cccnc2 7a_100000185747_100000741622 [0,1,0,0,0,0|1,0,0]=2 1285 B16R2.71 Nc1ccccc1OCc2cccnn2 34a_100000185747_100016990269 [0,1,0,0,0,0|2,0,0]=3 1286 B16R2.71 Nc1ccccc1OCc2cccnn2 7a_100000185747_100016990269 [0,1,0,0,0,0|2,0,0]=3 1287 B16R2.71 Nc1ccccc1OCc2ccncc2 7a_100000185747_100015193705 [0,1,0,0,0,0|3,0,0]=4 1288 B16R2.71 Nc1ccccc1OCc2cnccn2 34a_100000185747_100016995436 [0,1,0,0,0,0|2,0,0]=3 1289 B16R2.71 Nc1ccccc1OCc2cnccn2 7a_100000185747_100016995436 [0,1,0,0,0,0|2,0,0]=3 1290 B16R2.71 Nc1ccccc1OCc2cncnc2 34a_100000185747_100015196519 [0,1,0,0,0,0|2,0,0]=3 1291 B16R2.71 Nc1ccccc1OCc2cncnc2 7a_100000185747_100015196519 [0,1,0,0,0,0|2,0,0]=3 1292 B16R2.71 Nc1ccccc1SCc2ccccc2 62a_100000210017_100015291786 [0,1,0,0,0,0|2,0,0]=3 1293 B16R2.71 Nc1ccccc1SCc2ccccc2 62a_100000211182_100000210017 [0,1,0,0,0,0|2,0,0]=3 1294 B16R2.71 Nc1ccccc1SCc2ccccn2 62a_100000210017_100000721315 [0,1,0,0,0,0|3,0,0]=4 1295 B16R2.71 Nc1ccccc1SCc2ccccn2 62a_100000721315_100000210017 [0,1,0,0,0,0|3,0,0]=4 1296 B16R2.71 Nc1ccccc1SCc2cccnc2 62a_100000210017_100000741622 [0,1,0,0,0,0|1,0,0]=2 1297 B16R2.71 Nc1ccccc1SCc2cccnc2 62a_100000741622_100000210017 [0,1,0,0,0,0|1,0,0]=2 1298 B16R2.71 Nc1ccccc1SCc2cccnn2 62a_100000210017_100016990269 [0,1,0,0,0,0|2,0,0]=3 1299 B16R2.71 Nc1ccccc1SCc2cccnn2 62a_100016990269_100000210017 [0,1,0,0,0,0|2,0,0]=3 1300 B16R2.71 Nc1ccccc1SCc2ccncc2 62a_100000210017_100015193705 [0,1,0,0,0,0|3,0,0]=4 1301 B16R2.71 Nc1ccccc1SCc2ccncc2 62a_100015193705_100000210017 [0,1,0,0,0,0|3,0,0]=4 1302 B16R2.71 Nc1ccccc1SCc2cnccn2 62a_100000210017_100016995436 [0,1,0,0,0,0|2,0,0]=3 1303 B16R2.71 Nc1ccccc1SCc2cnccn2 62a_100016995436_100000210017 [0,1,0,0,0,0|2,0,0]=3 1304 B16R2.71 Nc1ccccc1SCc2cncnc2 62a_100000210017_100015196519 [0,1,0,0,0,0|2,0,0]=3 1305 B16R2.71 Nc1ccccc1SCc2cncnc2 62a_100015196519_100000210017 [0,1,0,0,0,0|2,0,0]=3 1306 B16R2.71 Nc1cccnc1C=Cc2cccnc2 271570a_100102525586_100000688686 [0,1,0,0,0,0|2,0,1]=4 1307 B16R2.71 Nc1cccnc1OCc2ccccc2 34a_100000746358_100015291786 [0,1,0,0,0,0|3,0,0]=4 1308 B16R2.71 Nc1cccnc1OCc2cccnc2 34a_100000746358_100000733263 [0,1,0,0,0,0|2,0,0]=3 1309 B16R2.71 Nc1cccnc1OCc2cccnn2 34a_100000746358_100016990269 [0,1,0,0,0,0|3,0,0]=4 1310 B16R2.71 Nc1cccnc1OCc2cnccn2 34a_100000746358_100016995436 [0,1,0,0,0,0|3,0,0]=4 1311 B16R2.71 Nc1cccnc1OCc2cncnc2 34a_100000746358_100015196519 [0,1,0,0,0,0|3,0,0]=4 1312 B16R2.71 Nc1cccnc1SCc2ccccc2 62a_100000211182_100000688686 [0,1,0,0,0,0|3,0,0]=4 1313 B16R2.71 Nc1cccnc1SCc2ccccc2 62a_100000688686_100015291786 [0,1,0,0,0,0|3,0,0]=4 1314 B16R2.71 Nc1cccnc1SCc2cccnc2 62a_100000688686_100000741622 [0,1,0,0,0,0|2,0,0]=3 1315 B16R2.71 Nc1cccnc1SCc2cccnc2 62a_100000741622_100000688686 [0,1,0,0,0,0|2,0,0]=3 1316 B16R2.71 Nc1cccnc1SCc2cccnn2 62a_100000688686_100016990269 [0,1,0,0,0,0|3,0,0]=4 1317 B16R2.71 Nc1cccnc1SCc2cccnn2 62a_100016990269_100000688686 [0,1,0,0,0,0|3,0,0]=4 1318 B16R2.71 Nc1cccnc1SCc2cnccn2 62a_100000688686_100016995436 [0,1,0,0,0,0|3,0,0]=4 1319 B16R2.71 Nc1cccnc1SCc2cnccn2 62a_100016995436_100000688686 [0,1,0,0,0,0|3,0,0]=4 1320 B16R2.71 Nc1cccnc1SCc2cncnc2 62a_100000688686_100015196519 [0,1,0,0,0,0|3,0,0]=4 1321 B16R2.71 Nc1cccnc1SCc2cncnc2 62a_100015196519_100000688686 [0,1,0,0,0,0|3,0,0]=4 1322 B16R2.71 Nc1ccncc1C#Cc2ccccc2 271570a_100000069678_100000047001 [0,1,0,0,0,0|1,0,1]=3 1323 B16R2.71 Nc1ccncc1C=Cc2ccccc2 271570a_100102527694_100000047001 [0,1,0,0,0,0|1,0,1]=3 1324 B16R2.71 Nc1ccncc1C=Cc2cccnc2 271570a_100102525586_100000047001 [0,1,0,0,0,0|2,0,1]=4 1325 B16R2.71 Nc1ccncc1OCc2ccccc2 34a_100000753702_100015291786 [0,1,0,0,0,0|2,0,0]=3 1326 B16R2.71 Nc1ccncc1OCc2ccccn2 34a_100000753702_100000721315 [0,1,0,0,0,0|3,0,0]=4 1327 B16R2.71 Nc1ccncc1OCc2cccnc2 34a_100000753702_100000733263 [0,1,0,0,0,0|2,0,0]=3 1328 B16R2.71 Nc1ccncc1OCc2cccnn2 34a_100000753702_100016990269 [0,1,0,0,0,0|3,0,0]=4 1329 B16R2.71 Nc1ccncc1OCc2cnccn2 34a_100000753702_100016995436 [0,1,0,0,0,0|3,0,0]=4 1330 B16R2.71 Nc1ccncc1OCc2cncnc2 34a_100000753702_100015196519 [0,1,0,0,0,0|3,0,0]=4 1331 B16R2.71 Nc1ccncc1SCc2ccccc2 62a_100000047001_100015291786 [0,1,0,0,0,0|2,0,0]=3 1332 B16R2.71 Nc1ccncc1SCc2ccccc2 62a_100000211182_100000047001 [0,1,0,0,0,0|2,0,0]=3 1333 B16R2.71 Nc1ccncc1SCc2ccccn2 62a_100000047001_100000721315 [0,1,0,0,0,0|3,0,0]=4 1334 B16R2.71 Nc1ccncc1SCc2ccccn2 62a_100000721315_100000047001 [0,1,0,0,0,0|3,0,0]=4 1335 B16R2.71 Nc1ccncc1SCc2cccnc2 62a_100000047001_100000741622 [0,1,0,0,0,0|2,0,0]=3 1336 B16R2.71 Nc1ccncc1SCc2cccnc2 62a_100000741622_100000047001 [0,1,0,0,0,0|2,0,0]=3 1337 B16R2.71 Nc1ccncc1SCc2cccnn2 62a_100000047001_100016990269 [0,1,0,0,0,0|3,0,0]=4 1338 B16R2.71 Nc1ccncc1SCc2cccnn2 62a_100016990269_100000047001 [0,1,0,0,0,0|3,0,0]=4 1339 B16R2.71 Nc1ccncc1SCc2ccncc2 62a_100000047001_100015193705 [0,1,0,0,0,0|3,0,0]=4 1340 B16R2.71 Nc1ccncc1SCc2ccncc2 62a_100015193705_100000047001 [0,1,0,0,0,0|3,0,0]=4 1341 B16R2.71 Nc1ccncc1SCc2cnccn2 62a_100000047001_100016995436 [0,1,0,0,0,0|3,0,0]=4 1342 B16R2.71 Nc1ccncc1SCc2cnccn2 62a_100016995436_100000047001 [0,1,0,0,0,0|3,0,0]=4 1343 B16R2.71 Nc1ccncc1SCc2cncnc2 62a_100000047001_100015196519 [0,1,0,0,0,0|3,0,0]=4 1344 B16R2.71 Nc1ccncc1SCc2cncnc2 62a_100015196519_100000047001 [0,1,0,0,0,0|3,0,0]=4 1345 B16R2.71 Nc1cnccc1C=Cc2cccnc2 271570a_100102525586_100009815883 [0,1,0,0,0,0|2,0,1]=4 1346 B16R2.71 Nc1cnccc1SCc2ccccc2 62a_100000211182_100000756074 [0,1,0,0,0,0|3,0,0]=4 1347 B16R2.71 Nc1cnccc1SCc2ccccc2 62a_100000756074_100015291786 [0,1,0,0,0,0|3,0,0]=4 1348 B16R2.71 Nc1cnccc1SCc2cccnc2 62a_100000741622_100000756074 [0,1,0,0,0,0|2,0,0]=3 1349 B16R2.71 Nc1cnccc1SCc2cccnc2 62a_100000756074_100000741622 [0,1,0,0,0,0|2,0,0]=3 1350 B16R2.71 Nc1cnccc1SCc2cccnn2 62a_100000756074_100016990269 [0,1,0,0,0,0|3,0,0]=4 1351 B16R2.71 Nc1cnccc1SCc2cccnn2 62a_100016990269_100000756074 [0,1,0,0,0,0|3,0,0]=4 1352 B16R2.71 Nc1cnccc1SCc2cnccn2 62a_100000756074_100016995436 [0,1,0,0,0,0|3,0,0]=4 1353 B16R2.71 Nc1cnccc1SCc2cnccn2 62a_100016995436_100000756074 [0,1,0,0,0,0|3,0,0]=4 1354 B16R2.71 Nc1cnccc1SCc2cncnc2 62a_100000756074_100015196519 [0,1,0,0,0,0|3,0,0]=4 1355 B16R2.71 Nc1cnccc1SCc2cncnc2 62a_100015196519_100000756074 [0,1,0,0,0,0|3,0,0]=4 1356 B16R2.71 Nc1cncnc1NCc2ccccc2 27a_100015324214_100000709731 [0,1,0,0,0,0|3,0,0]=4 1357 B16R2.71 Nc1cncnc1NCc2cccnc2 27a_100000210453_100000709731 [0,1,0,0,0,0|2,0,0]=3 1358 B16R2.71 Nc1cncnc1NCc2cccnn2 27a_100159270163_100000709731 [0,1,0,0,0,0|3,0,0]=4 1359 B16R2.71 Nc1cncnc1NCc2cnccn2 27a_100000737960_100000709731 [0,1,0,0,0,0|3,0,0]=4 1360 B16R2.71 Nc1cncnc1NCc2cncnc2 27a_100011243677_100000709731 [0,1,0,0,0,0|3,0,0]=4 1361 B16R2.71 Nc1cncnc1SCc2cccnc2 62a_100000709731_100000741622 [0,1,0,0,0,0|3,0,0]=4 1362 B16R2.71 Nc1cncnc1SCc2cccnc2 62a_100000741622_100000709731 [0,1,0,0,0,0|3,0,0]=4 1363 B16R2.71 Nc1cnncc1C#Cc2ccccc2 271570a_100000069678_100009829405 [0,1,0,0,0,0|2,0,1]=4 1364 B16R2.71 Nc1cnncc1C=Cc2ccccc2 271570a_100102527694_100009829405 [0,1,0,0,0,0|2,0,1]=4 1365 B16R2.71 Nc1cnncc1SCc2ccccc2 62a_100000211182_100009829405 [0,1,0,0,0,0|3,0,0]=4 1366 B16R2.71 Nc1cnncc1SCc2ccccc2 62a_100009829405_100015291786 [0,1,0,0,0,0|3,0,0]=4 1367 B16R2.71 Nc1cnncc1SCc2cccnc2 62a_100000741622_100009829405 [0,1,0,0,0,0|3,0,0]=4 1368 B16R2.71 Nc1cnncc1SCc2cccnc2 62a_100009829405_100000741622 [0,1,0,0,0,0|3,0,0]=4 1369 B16R2.71 Nc1ncccc1C#Cc2ccccc2 271570a_100000069678_100000045569 [0,1,0,0,0,0|1,0,1]=3 1370 B16R2.71 Nc1ncccc1C=Cc2ccccc2 271570a_100102527694_100000045569 [0,1,0,0,0,0|1,0,1]=3 1371 B16R2.71 Nc1ncccc1C=Cc2cccnc2 271570a_100102525586_100000045569 [0,1,0,0,0,0|2,0,1]=4 1372 B16R2.71 Nc1ncccc1OCc2ccccc2 34a_100000211975_100015291786 [0,1,0,0,0,0|2,0,0]=3 1373 B16R2.71 Nc1ncccc1OCc2ccccc2 7a_100000211975_100000211182 [0,1,0,0,0,0|2,0,0]=3 1374 B16R2.71 Nc1ncccc1OCc2ccccn2 34a_100000211975_100000721315 [0,1,0,0,0,0|3,0,0]=4 1375 B16R2.71 Nc1ncccc1OCc2ccccn2 7a_100000211975_100000721315 [0,1,0,0,0,0|3,0,0]=4 1376 B16R2.71 Nc1ncccc1OCc2cccnc2 34a_100000211975_100000733263 [0,1,0,0,0,0|2,0,0]=3 1377 B16R2.71 Nc1ncccc1OCc2cccnc2 7a_100000211975_100000741622 [0,1,0,0,0,0|2,0,0]=3 1378 B16R2.71 Nc1ncccc1OCc2cccnn2 34a_100000211975_100016990269 [0,1,0,0,0,0|3,0,0]=4 1379 B16R2.71 Nc1ncccc1OCc2cccnn2 7a_100000211975_100016990269 [0,1,0,0,0,0|3,0,0]=4 1380 B16R2.71 Nc1ncccc1OCc2ccncc2 7a_100000211975_100015193705 [0,1,0,0,0,0|3,0,0]=4 1381 B16R2.71 Nc1ncccc1OCc2cnccn2 34a_100000211975_100016995436 [0,1,0,0,0,0|3,0,0]=4 1382 B16R2.71 Nc1ncccc1OCc2cnccn2 7a_100000211975_100016995436 [0,1,0,0,0,0|3,0,0]=4 1383 B16R2.71 Nc1ncccc1OCc2cncnc2 34a_100000211975_100015196519 [0,1,0,0,0,0|3,0,0]=4 1384 B16R2.71 Nc1ncccc1OCc2cncnc2 7a_100000211975_100015196519 [0,1,0,0,0,0|3,0,0]=4 1385 B16R2.71 Nc1ncccc1SCc2ccccc2 62a_100000045569_100015291786 [0,1,0,0,0,0|2,0,0]=3 1386 B16R2.71 Nc1ncccc1SCc2ccccc2 62a_100000211182_100000045569 [0,1,0,0,0,0|2,0,0]=3 1387 B16R2.71 Nc1ncccc1SCc2ccccn2 62a_100000045569_100000721315 [0,1,0,0,0,0|3,0,0]=4 1388 B16R2.71 Nc1ncccc1SCc2ccccn2 62a_100000721315_100000045569 [0,1,0,0,0,0|3,0,0]=4 1389 B16R2.71 Nc1ncccc1SCc2cccnc2 62a_100000045569_100000741622 [0,1,0,0,0,0|2,0,0]=3 1390 B16R2.71 Nc1ncccc1SCc2cccnc2 62a_100000741622_100000045569 [0,1,0,0,0,0|2,0,0]=3 1391 B16R2.71 Nc1ncccc1SCc2cccnn2 62a_100000045569_100016990269 [0,1,0,0,0,0|3,0,0]=4 1392 B16R2.71 Nc1ncccc1SCc2cccnn2 62a_100016990269_100000045569 [0,1,0,0,0,0|3,0,0]=4 1393 B16R2.71 Nc1ncccc1SCc2ccncc2 62a_100000045569_100015193705 [0,1,0,0,0,0|3,0,0]=4 1394 B16R2.71 Nc1ncccc1SCc2ccncc2 62a_100015193705_100000045569 [0,1,0,0,0,0|3,0,0]=4 1395 B16R2.71 Nc1ncccc1SCc2cnccn2 62a_100000045569_100016995436 [0,1,0,0,0,0|3,0,0]=4 1396 B16R2.71 Nc1ncccc1SCc2cnccn2 62a_100016995436_100000045569 [0,1,0,0,0,0|3,0,0]=4 1397 B16R2.71 Nc1ncccc1SCc2cncnc2 62a_100000045569_100015196519 [0,1,0,0,0,0|3,0,0]=4 1398 B16R2.71 Nc1ncccc1SCc2cncnc2 62a_100015196519_100000045569 [0,1,0,0,0,0|3,0,0]=4 1399 B16R2.71 Nc1nccnc1C#Cc2ccccc2 271570a_100000069678_100000747729 [0,1,0,0,0,0|2,0,1]=4 1400 B16R2.71 Nc1nccnc1C=Cc2ccccc2 271570a_100102527694_100000747729 [0,1,0,0,0,0|2,0,1]=4 1401 B16R2.71 Nc1nccnc1SCc2ccccc2 62a_100000211182_100000747729 [0,1,0,0,0,0|3,0,0]=4 1402 B16R2.71 Nc1nccnc1SCc2ccccc2 62a_100000747729_100015291786 [0,1,0,0,0,0|3,0,0]=4 1403 B16R2.71 Nc1nccnc1SCc2cccnc2 62a_100000741622_100000747729 [0,1,0,0,0,0|3,0,0]=4 1404 B16R2.71 Nc1nccnc1SCc2cccnc2 62a_100000747729_100000741622 [0,1,0,0,0,0|3,0,0]=4 1405 B16R2.71 Nc1ncncc1C#Cc2ccccc2 271570a_100000069678_100011996079 [0,1,0,0,0,0|2,0,1]=4 1406 B16R2.71 Nc1ncncc1C=Cc2ccccc2 271570a_100102527694_100011996079 [0,1,0,0,0,0|2,0,1]=4 1407 B16R2.71 Nc1ncncc1OCc2ccccc2 7a_100000112926_100000211182 [0,1,0,0,0,0|3,0,0]=4 1408 B16R2.71 Nc1ncncc1OCc2cccnc2 7a_100000112926_100000741622 [0,1,0,0,0,0|3,0,0]=4 1409 B16R2.71 Nc1ncncc1SCc2ccccc2 62a_100000211182_100011996079 [0,1,0,0,0,0|3,0,0]=4 1410 B16R2.71 Nc1ncncc1SCc2ccccc2 62a_100011996079_100015291786 [0,1,0,0,0,0|3,0,0]=4 1411 B16R2.71 Nc1ncncc1SCc2cccnc2 62a_100000741622_100011996079 [0,1,0,0,0,0|3,0,0]=4 1412 B16R2.71 Nc1ncncc1SCc2cccnc2 62a_100011996079_100000741622 [0,1,0,0,0,0|3,0,0]=4 1413 B16R2.71 O=c1[nH]cccc1C#Cc2ccccc2 271570a_100000069678_100000050042 [0,1,0,0,0,0|1,0,2]=4 1414 B16R2.71 O=c1[nH]cccc1C=Cc2ccccc2 271570a_100102527694_100000050042 [0,1,0,0,0,0|1,0,2]=4 1415 B16R2.71 O=c1[nH]cccc1C=Cc2cccnc2 271570a_100102525586_100000050042 [0,1,0,0,0,0|2,0,1]=4 1416 B16R2.71 O=c1[nH]ccnc1SCc2cccnc2 62a_100000741622_100000763361 [0,1,0,0,0,0|3,0,0]=4 1417 B16R2.71 O=c1[nH]nccc1NCc2ccccc2 27a_100015324214_100000087129 [0,1,0,0,0,0|3,0,0]=4 1418 B16R2.71 O=c1[nH]nccc1NCc2cccnc2 27a_100000210453_100000087129 [0,1,0,0,0,0|2,0,0]=3 1419 B16R2.71 O=c1[nH]nccc1NCc2cccnn2 27a_100159270163_100000087129 [0,1,0,0,0,0|3,0,0]=4 1420 B16R2.71 O=c1[nH]nccc1NCc2cnccn2 27a_100000737960_100000087129 [0,1,0,0,0,0|3,0,0]=4 1421 B16R2.71 O=c1[nH]nccc1NCc2cncnc2 27a_100011243677_100000087129 [0,1,0,0,0,0|3,0,0]=4 1422 B16R2.71 O=c1[nH]nccc1SCc2cccnc2 62a_100000741622_100000087129 [0,1,0,0,0,0|3,0,0]=4 1423 B16R2.71 O=c1cc[nH]cc1C#Cc2ccccc2 271570a_100000069678_100009998708 [0,1,0,0,0,0|1,0,2]=4 1424 B16R2.71 O=c1cc[nH]cc1C=Cc2ccccc2 271570a_100102527694_100009998708 [0,1,0,0,0,0|1,0,2]=4 1425 B16R2.71 O=c1cc[nH]cc1C=Cc2cccnc2 271570a_100102525586_100009998708 [0,1,0,0,0,0|2,0,1]=4 1426 B16R2.71 O=c1cc[nH]cc1SCc2ccccc2 62a_100000211182_100009998708 [0,1,0,0,0,0|2,0,1]=4 1427 B16R2.71 O=c1cc[nH]cc1SCc2ccccc2 62a_100009998708_100015291786 [0,1,0,0,0,0|2,0,1]=4 1428 B16R2.71 O=c1cc[nH]cc1SCc2cccnc2 62a_100000741622_100009998708 [0,1,0,0,0,0|2,0,0]=3 1429 B16R2.71 O=c1cc[nH]cc1SCc2cccnc2 62a_100009998708_100000741622 [0,1,0,0,0,0|2,0,0]=3 1430 B16R2.71 O=c1cc[nH]cc1SCc2cccnn2 62a_100009998708_100016990269 [0,1,0,0,0,0|3,0,0]=4 1431 B16R2.71 O=c1cc[nH]cc1SCc2cccnn2 62a_100016990269_100009998708 [0,1,0,0,0,0|3,0,0]=4 1432 B16R2.71 O=c1cc[nH]cc1SCc2cnccn2 62a_100009998708_100016995436 [0,1,0,0,0,0|3,0,0]=4 1433 B16R2.71 O=c1cc[nH]cc1SCc2cnccn2 62a_100016995436_100009998708 [0,1,0,0,0,0|3,0,0]=4 1434 B16R2.71 O=c1cc[nH]cc1SCc2cncnc2 62a_100009998708_100015196519 [0,1,0,0,0,0|3,0,0]=4 1435 B16R2.71 O=c1cc[nH]cc1SCc2cncnc2 62a_100015196519_100009998708 [0,1,0,0,0,0|3,0,0]=4 1436 B16R2.71 O=c1ccocc1OCc2ccccc2 34a_100000060831_100015291786 [0,1,0,0,0,0|3,0,0]=4 1437 B16R2.71 O=c1ccocc1OCc2cccnc2 34a_100000060831_100000733263 [0,1,0,0,0,0|2,0,0]=3 1438 B16R2.71 O=c1ccocc1OCc2cccnn2 34a_100000060831_100016990269 [0,1,0,0,0,0|3,0,0]=4 1439 B16R2.71 O=c1ccocc1OCc2cnccn2 34a_100000060831_100016995436 [0,1,0,0,0,0|3,0,0]=4 1440 B16R2.71 O=c1ccocc1OCc2cncnc2 34a_100000060831_100015196519 [0,1,0,0,0,0|3,0,0]=4 1441 B16R2.71 O=c1occcc1OCc2ccccc2 34a_100000077404_100015291786 [0,1,0,0,0,0|3,0,0]=4 1442 B16R2.71 O=c1occcc1OCc2ccccc2 7a_100000077404_100000211182 [0,1,0,0,0,0|3,0,0]=4 1443 B16R2.71 O=c1occcc1OCc2cccnc2 34a_100000077404_100000733263 [0,1,0,0,0,0|2,0,0]=3 1444 B16R2.71 O=c1occcc1OCc2cccnc2 7a_100000077404_100000741622 [0,1,0,0,0,0|2,0,0]=3 1445 B16R2.71 O=c1occcc1OCc2cccnn2 34a_100000077404_100016990269 [0,1,0,0,0,0|3,0,0]=4 1446 B16R2.71 O=c1occcc1OCc2cccnn2 7a_100000077404_100016990269 [0,1,0,0,0,0|3,0,0]=4 1447 B16R2.71 O=c1occcc1OCc2cnccn2 34a_100000077404_100016995436 [0,1,0,0,0,0|3,0,0]=4 1448 B16R2.71 O=c1occcc1OCc2cnccn2 7a_100000077404_100016995436 [0,1,0,0,0,0|3,0,0]=4 1449 B16R2.71 O=c1occcc1OCc2cncnc2 34a_100000077404_100015196519 [0,1,0,0,0,0|3,0,0]=4 1450 B16R2.71 O=c1occcc1OCc2cncnc2 7a_100000077404_100015196519 [0,1,0,0,0,0|3,0,0]=4 1451 B16R2.71 Oc1ccccc1C#Cc2ccccc2 271570a_100000069678_100000739446 [0,1,0,0,0,0|2,0,1]=4 1452 B16R2.71 Oc1ccccc1C#Cc2ccccc2 271570a_203496583355_100010200916 [0,1,0,0,0,0|2,0,1]=4 1453 B16R2.71 Oc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000739446 [0,1,0,0,0,0|2,0,1]=4 1454 B16R2.71 Oc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000739446 [0,1,0,0,0,0|1,0,1]=3 1455 B16R2.71 Oc1ccccc1CNc2ccccc2 270302a_100000106764_100000185834 [0,1,0,0,0,0|1,0,0]=2 1456 B16R2.71 Oc1ccccc1CNc2cccnn2 27a_100000185550_100016991348 [0,1,0,0,0,0|3,0,0]=4 1457 B16R2.71 Oc1ccccc1CNc2ccncn2 27a_100000185550_100000703185 [0,1,0,0,0,0|3,0,0]=4 1458 B16R2.71 Oc1ccccc1CNc2cnccn2 27a_100000185550_100000211759 [0,1,0,0,0,0|3,0,0]=4 1459 B16R2.71 Oc1ccccc1CNc2ncccn2 27a_100000185550_100000211032 [0,1,0,0,0,0|3,0,0]=4 1460 B16R2.71 Oc1ccccc1NCc2ccccc2 34a_100000185747_100015291786 [0,1,0,0,0,0|1,0,0]=2 1461 B16R2.71 Oc1ccccc1NCc2ccccn2 34a_100000185747_100000721315 [0,1,0,0,0,0|2,0,0]=3 1462 B16R2.71 Oc1ccccc1NCc2cccnc2 34a_100000185747_100000733263 [0,1,0,0,0,0|0,0,0]=1 1463 B16R2.71 Oc1ccccc1NCc2cccnn2 34a_100000185747_100016990269 [0,1,0,0,0,0|1,0,0]=2 1464 B16R2.71 Oc1ccccc1NCc2cnccn2 34a_100000185747_100016995436 [0,1,0,0,0,0|1,0,0]=2 1465 B16R2.71 Oc1ccccc1NCc2cncnc2 34a_100000185747_100015196519 [0,1,0,0,0,0|1,0,0]=2 1466 B16R2.71 Oc1ccccc1NCc2ncccn2 34a_100000185747_100000703007 [0,1,0,0,0,0|3,0,0]=4 1467 B16R2.71 Oc1ccccc1OCc2ccccc2 271570a_203496583355_100000151716 [0,1,0,0,0,0|2,0,0]=3 1468 B16R2.71 Oc1ccccc1SCc2ccccc2 62a_100000211182_100000739446 [0,1,0,0,0,0|2,0,0]=3 1469 B16R2.71 Oc1ccccc1SCc2ccccc2 62a_100000739446_100015291786 [0,1,0,0,0,0|2,0,0]=3 1470 B16R2.71 Oc1ccccc1SCc2ccccn2 62a_100000721315_100000739446 [0,1,0,0,0,0|3,0,0]=4 1471 B16R2.71 Oc1ccccc1SCc2ccccn2 62a_100000739446_100000721315 [0,1,0,0,0,0|3,0,0]=4 1472 B16R2.71 Oc1ccccc1SCc2cccnc2 62a_100000739446_100000741622 [0,1,0,0,0,0|1,0,0]=2 1473 B16R2.71 Oc1ccccc1SCc2cccnc2 62a_100000741622_100000739446 [0,1,0,0,0,0|1,0,0]=2 1474 B16R2.71 Oc1ccccc1SCc2cccnn2 62a_100000739446_100016990269 [0,1,0,0,0,0|2,0,0]=3 1475 B16R2.71 Oc1ccccc1SCc2cccnn2 62a_100016990269_100000739446 [0,1,0,0,0,0|2,0,0]=3 1476 B16R2.71 Oc1ccccc1SCc2ccncc2 62a_100000739446_100015193705 [0,1,0,0,0,0|3,0,0]=4 1477 B16R2.71 Oc1ccccc1SCc2ccncc2 62a_100015193705_100000739446 [0,1,0,0,0,0|3,0,0]=4 1478 B16R2.71 Oc1ccccc1SCc2cnccn2 62a_100000739446_100016995436 [0,1,0,0,0,0|2,0,0]=3 1479 B16R2.71 Oc1ccccc1SCc2cnccn2 62a_100016995436_100000739446 [0,1,0,0,0,0|2,0,0]=3 1480 B16R2.71 Oc1ccccc1SCc2cncnc2 62a_100000739446_100015196519 [0,1,0,0,0,0|2,0,0]=3 1481 B16R2.71 Oc1ccccc1SCc2cncnc2 62a_100015196519_100000739446 [0,1,0,0,0,0|2,0,0]=3 1482 B16R2.71 Oc1cccnc1C=Cc2cccnc2 271570a_100102525586_100000034122 [0,1,0,0,0,0|2,0,1]=4 1483 B16R2.71 Oc1cccnc1CNc2ccccc2 34a_100000106764_200020655725 [0,1,0,0,0,0|2,0,0]=3 1484 B16R2.71 Oc1cccnc1COc2ccccc2 34a_100000210340_200020655725 [0,1,0,0,0,0|3,0,0]=4 1485 B16R2.71 Oc1cccnc1COc2ccccc2 7a_100000210340_200020655725 [0,1,0,0,0,0|3,0,0]=4 1486 B16R2.71 Oc1cccnc1COc2cccnc2 34a_100000210849_200020655725 [0,1,0,0,0,0|3,0,0]=4 1487 B16R2.71 Oc1cccnc1COc2cccnc2 7a_100000210849_200020655725 [0,1,0,0,0,0|3,0,0]=4 1488 B16R2.71 Oc1cccnc1CSc2ccccc2 62a_100000719477_200020655725 [0,1,0,0,0,0|3,0,0]=4 1489 B16R2.71 Oc1cccnc1CSc2ccccc2 62a_200020655725_100000041952 [0,1,0,0,0,0|3,0,0]=4 1490 B16R2.71 Oc1cccnc1CSc2cccnc2 62a_100000210063_200020655725 [0,1,0,0,0,0|3,0,0]=4 1491 B16R2.71 Oc1cccnc1CSc2cccnc2 62a_200020655725_100000210063 [0,1,0,0,0,0|3,0,0]=4 1492 B16R2.71 Oc1cccnc1OCc2ccccc2 271570a_203496583355_200011465151 [0,1,0,0,0,0|3,0,0]=4 1493 B16R2.71 Oc1cccnc1SCc2ccccc2 62a_100000034122_100015291786 [0,1,0,0,0,0|3,0,0]=4 1494 B16R2.71 Oc1cccnc1SCc2ccccc2 62a_100000211182_100000034122 [0,1,0,0,0,0|3,0,0]=4 1495 B16R2.71 Oc1cccnc1SCc2cccnc2 62a_100000034122_100000741622 [0,1,0,0,0,0|2,0,0]=3 1496 B16R2.71 Oc1cccnc1SCc2cccnc2 62a_100000741622_100000034122 [0,1,0,0,0,0|2,0,0]=3 1497 B16R2.71 Oc1cccnc1SCc2cccnn2 62a_100000034122_100016990269 [0,1,0,0,0,0|3,0,0]=4 1498 B16R2.71 Oc1cccnc1SCc2cccnn2 62a_100016990269_100000034122 [0,1,0,0,0,0|3,0,0]=4 1499 B16R2.71 Oc1cccnc1SCc2cnccn2 62a_100000034122_100016995436 [0,1,0,0,0,0|3,0,0]=4 1500 B16R2.71 Oc1cccnc1SCc2cnccn2 62a_100016995436_100000034122 [0,1,0,0,0,0|3,0,0]=4 1501 B16R2.71 Oc1cccnc1SCc2cncnc2 62a_100000034122_100015196519 [0,1,0,0,0,0|3,0,0]=4 1502 B16R2.71 Oc1cccnc1SCc2cncnc2 62a_100015196519_100000034122 [0,1,0,0,0,0|3,0,0]=4 1503 B16R2.71 Oc1cnccc1C=Cc2cccnc2 271570a_100102525586_100009817591 [0,1,0,0,0,0|2,0,1]=4 1504 B16R2.71 Oc1cnccc1SCc2ccccc2 62a_100000211182_100009817591 [0,1,0,0,0,0|3,0,0]=4 1505 B16R2.71 Oc1cnccc1SCc2ccccc2 62a_100009817591_100015291786 [0,1,0,0,0,0|3,0,0]=4 1506 B16R2.71 Oc1cnccc1SCc2cccnc2 62a_100000741622_100009817591 [0,1,0,0,0,0|2,0,0]=3 1507 B16R2.71 Oc1cnccc1SCc2cccnc2 62a_100009817591_100000741622 [0,1,0,0,0,0|2,0,0]=3 1508 B16R2.71 Oc1cnccc1SCc2cccnn2 62a_100009817591_100016990269 [0,1,0,0,0,0|3,0,0]=4 1509 B16R2.71 Oc1cnccc1SCc2cccnn2 62a_100016990269_100009817591 [0,1,0,0,0,0|3,0,0]=4 1510 B16R2.71 Oc1cnccc1SCc2cnccn2 62a_100009817591_100016995436 [0,1,0,0,0,0|3,0,0]=4 1511 B16R2.71 Oc1cnccc1SCc2cnccn2 62a_100016995436_100009817591 [0,1,0,0,0,0|3,0,0]=4 1512 B16R2.71 Oc1cnccc1SCc2cncnc2 62a_100009817591_100015196519 [0,1,0,0,0,0|3,0,0]=4 1513 B16R2.71 Oc1cnccc1SCc2cncnc2 62a_100015196519_100009817591 [0,1,0,0,0,0|3,0,0]=4 1514 B16R2.71 Oc1ncccc1CNc2ccccc2 207a_100000106764_100011998315 [0,1,0,0,0,0|0,0,0]=1 1515 B16R2.71 Oc1ncccc1CNc2ccccc2 270302a_100000106764_100011998315 [0,1,0,0,0,0|0,0,0]=1 1516 B16R2.71 Oc1ncccc1OCc2ccccc2 271570a_203496583355_100011501402 [0,1,0,0,0,0|2,0,0]=3 1517 B16R2.71 Oc1ncccc1SCc2ccccc2 62a_100000211182_100000760158 [0,1,0,0,0,0|2,0,0]=3 1518 B16R2.71 Oc1ncccc1SCc2ccccc2 62a_100000760158_100015291786 [0,1,0,0,0,0|2,0,0]=3 1519 B16R2.71 Oc1ncccc1SCc2ccccn2 62a_100000721315_100000760158 [0,1,0,0,0,0|3,0,0]=4 1520 B16R2.71 Oc1ncccc1SCc2ccccn2 62a_100000760158_100000721315 [0,1,0,0,0,0|3,0,0]=4 1521 B16R2.71 Oc1ncccc1SCc2cccnc2 62a_100000741622_100000760158 [0,1,0,0,0,0|2,0,0]=3 1522 B16R2.71 Oc1ncccc1SCc2cccnc2 62a_100000760158_100000741622 [0,1,0,0,0,0|2,0,0]=3 1523 B16R2.71 Oc1ncccc1SCc2cccnn2 62a_100000760158_100016990269 [0,1,0,0,0,0|3,0,0]=4 1524 B16R2.71 Oc1ncccc1SCc2cccnn2 62a_100016990269_100000760158 [0,1,0,0,0,0|3,0,0]=4 1525 B16R2.71 Oc1ncccc1SCc2ccncc2 62a_100000760158_100015193705 [0,1,0,0,0,0|3,0,0]=4 1526 B16R2.71 Oc1ncccc1SCc2ccncc2 62a_100015193705_100000760158 [0,1,0,0,0,0|3,0,0]=4 1527 B16R2.71 Oc1ncccc1SCc2cnccn2 62a_100000760158_100016995436 [0,1,0,0,0,0|3,0,0]=4 1528 B16R2.71 Oc1ncccc1SCc2cnccn2 62a_100016995436_100000760158 [0,1,0,0,0,0|3,0,0]=4 1529 B16R2.71 Oc1ncccc1SCc2cncnc2 62a_100000760158_100015196519 [0,1,0,0,0,0|3,0,0]=4 1530 B16R2.71 Oc1ncccc1SCc2cncnc2 62a_100015196519_100000760158 [0,1,0,0,0,0|3,0,0]=4 1531 B16R2.71 Oc1ncncc1C#Cc2ccccc2 271570a_100000069678_100000751107 [0,1,0,0,0,0|2,0,1]=4 1532 B16R2.71 Oc1ncncc1C=Cc2ccccc2 271570a_100102527694_100000751107 [0,1,0,0,0,0|2,0,1]=4 1533 B16R2.71 Oc1ncncc1OCc2ccccc2 271570a_203496583355_100010760880 [0,1,0,0,0,0|3,0,0]=4 1534 B16R2.71 Oc1ncncc1SCc2ccccc2 62a_100000211182_100000751107 [0,1,0,0,0,0|3,0,0]=4 1535 B16R2.71 Oc1ncncc1SCc2ccccc2 62a_100000751107_100015291786 [0,1,0,0,0,0|3,0,0]=4 1536 B16R2.71 Oc1ncncc1SCc2cccnc2 62a_100000741622_100000751107 [0,1,0,0,0,0|3,0,0]=4 1537 B16R2.71 Oc1ncncc1SCc2cccnc2 62a_100000751107_100000741622 [0,1,0,0,0,0|3,0,0]=4 1538 B16R2.71 S=c1cc[nH]cc1C#Cc2ccccc2 271570a_100000069678_200012280681 [0,1,0,0,0,0|1,0,2]=4 1539 B16R2.71 S=c1cc[nH]cc1C=Cc2ccccc2 271570a_100102527694_200012280681 [0,1,0,0,0,0|1,0,2]=4 1540 B16R2.71 S=c1cc[nH]cc1C=Cc2cccnc2 271570a_100102525586_200012280681 [0,1,0,0,0,0|2,0,1]=4 1541 B16R2.71 S=c1cc[nH]cc1SCc2ccccc2 62a_100000211182_200012280681 [0,1,0,0,0,0|2,0,1]=4 1542 B16R2.71 S=c1cc[nH]cc1SCc2ccccc2 62a_200012280681_100015291786 [0,1,0,0,0,0|2,0,1]=4 1543 B16R2.71 S=c1cc[nH]cc1SCc2cccnc2 62a_100000741622_200012280681 [0,1,0,0,0,0|2,0,0]=3 1544 B16R2.71 S=c1cc[nH]cc1SCc2cccnc2 62a_200012280681_100000741622 [0,1,0,0,0,0|2,0,0]=3 1545 B16R2.71 S=c1cc[nH]cc1SCc2cccnn2 62a_100016990269_200012280681 [0,1,0,0,0,0|3,0,0]=4 1546 B16R2.71 S=c1cc[nH]cc1SCc2cccnn2 62a_200012280681_100016990269 [0,1,0,0,0,0|3,0,0]=4 1547 B16R2.71 S=c1cc[nH]cc1SCc2cnccn2 62a_100016995436_200012280681 [0,1,0,0,0,0|3,0,0]=4 1548 B16R2.71 S=c1cc[nH]cc1SCc2cnccn2 62a_200012280681_100016995436 [0,1,0,0,0,0|3,0,0]=4 1549 B16R2.71 S=c1cc[nH]cc1SCc2cncnc2 62a_100015196519_200012280681 [0,1,0,0,0,0|3,0,0]=4 1550 B16R2.71 S=c1cc[nH]cc1SCc2cncnc2 62a_200012280681_100015196519 [0,1,0,0,0,0|3,0,0]=4 1551 B16R2.71 [O-][n+]1ccccc1C=Cc2cccnc2 271570a_100102525586_200000042595 [0,1,0,0,0,0|2,0,1]=4 1552 B16R2.71 [O-][n+]1ccccc1OCc2ccccc2 7a_100000211761_100000211182 [0,1,0,0,0,0|3,0,0]=4 1553 B16R2.71 [O-][n+]1ccccc1OCc2cccnc2 7a_100000211761_100000741622 [0,1,0,0,0,0|2,0,0]=3 1554 B16R2.71 [O-][n+]1ccccc1OCc2cccnn2 7a_100000211761_100016990269 [0,1,0,0,0,0|3,0,0]=4 1555 B16R2.71 [O-][n+]1ccccc1OCc2cnccn2 7a_100000211761_100016995436 [0,1,0,0,0,0|3,0,0]=4 1556 B16R2.71 [O-][n+]1ccccc1OCc2cncnc2 7a_100000211761_100015196519 [0,1,0,0,0,0|3,0,0]=4 1557 B16R2.71 [O-][n+]1ccccc1SCc2ccccc2 62a_100000211182_200000042595 [0,1,0,0,0,0|3,0,0]=4 1558 B16R2.71 [O-][n+]1ccccc1SCc2cccnc2 62a_100000741622_200000042595 [0,1,0,0,0,0|2,0,0]=3 1559 B16R2.71 [O-][n+]1ccccc1SCc2cccnn2 62a_100016990269_200000042595 [0,1,0,0,0,0|3,0,0]=4 1560 B16R2.71 [O-][n+]1ccccc1SCc2cnccn2 62a_100016995436_200000042595 [0,1,0,0,0,0|3,0,0]=4 1561 B16R2.71 [O-][n+]1ccccc1SCc2cncnc2 62a_100015196519_200000042595 [0,1,0,0,0,0|3,0,0]=4 1562 B16R2.88 CC(Cc1ccccc1)c2ccccc2 271570a_100000062452_100000210277 [0,1,0,0,0,0|2,0,0]=3 1563 B16R2.88 CC(Cc1ccccn1)c2ccccc2 271570a_100000062452_100011216584 [0,1,0,0,0,0|3,0,0]=4 1564 B16R2.88 CC(Cc1cccnc1)c2ccccc2 271570a_100000062452_100000752921 [0,1,0,0,0,0|1,0,0]=2 1565 B16R2.88 CC(Cc1cccnn1)c2ccccc2 271570a_100000062452_100016991348 [0,1,0,0,0,0|2,0,0]=3 1566 B16R2.88 CC(Cc1ccncc1)c2ccccc2 271570a_100000062452_100000035832 [0,1,0,0,0,0|3,0,0]=4 1567 B16R2.88 CC(Cc1ccnnc1)c2ccccc2 271570a_100000062452_100000732662 [0,1,0,0,0,0|2,0,0]=3 1568 B16R2.88 CC(Cc1cnccn1)c2ccccc2 271570a_100000062452_100000758340 [0,1,0,0,0,0|2,0,0]=3 1569 B16R2.88 CC(Cc1cncnc1)c2ccccc2 271570a_100000062452_100011206942 [0,1,0,0,0,0|2,0,0]=3 1570 B16R2.88 CC(Cc1cnnnc1)c2ccccc2 271570a_100000062452_100009846058 [0,1,0,0,0,0|3,0,0]=4 1571 B16R2.88 CC(Nc1ccccc1)c2ccccc2 34a_100000106764_100000211855 [0,1,0,0,0,0|1,0,0]=2 1572 B16R2.88 CC(Nc1cccnn1)c2cccnc2 27a_100000195435_100016991348 [0,1,0,0,0,0|2,0,0]=3 1573 B16R2.88 CC(Nc1ccncn1)c2cccnc2 27a_100000195435_100000703185 [0,1,0,0,0,0|2,0,0]=3 1574 B16R2.88 CC(Nc1cnccn1)c2cccnc2 27a_100000195435_100000211759 [0,1,0,0,0,0|2,0,0]=3 1575 B16R2.88 CC(Nc1ncccn1)c2cccnc2 27a_100000195435_100000211032 [0,1,0,0,0,0|2,0,0]=3 1576 B16R2.88 CC(Oc1ccccc1)c2ccccc2 34a_100000210340_100000211855 [0,1,0,0,0,0|2,0,0]=3 1577 B16R2.88 CC(Oc1ccccc1)c2ccccc2 7a_100000210340_100000230085 [0,1,0,0,0,0|2,0,0]=3 1578 B16R2.88 CC(Oc1ccccc1)c2cnccn2 7a_100000210340_200000703233 [0,1,0,0,0,0|2,0,0]=3 1579 B16R2.88 CC(Oc1cccnc1)c2ccccc2 34a_100000210849_100000211855 [0,1,0,0,0,0|2,0,0]=3 1580 B16R2.88 CC(Oc1cccnc1)c2ccccc2 7a_100000210849_100000230085 [0,1,0,0,0,0|2,0,0]=3 1581 B16R2.88 CC(Oc1cccnc1)c2cnccn2 7a_100000210849_200000703233 [0,1,0,0,0,0|3,0,0]=4 1582 B16R2.88 CC(Oc1ccncc1)c2ccccc2 34a_100000212176_100000211855 [0,1,0,0,0,0|3,0,0]=4 1583 B16R2.88 CC(Oc1ccnnc1)c2ccccc2 34a_100015204005_100000211855 [0,1,0,0,0,0|3,0,0]=4 1584 B16R2.88 CC(Oc1cncnc1)c2ccccc2 7a_100000754086_100000230085 [0,1,0,0,0,0|3,0,0]=4 1585 B16R2.88 CC(Sc1ccccc1)c2ccccc2 62a_100000230085_100000041952 [0,1,0,0,0,0|2,0,0]=3 1586 B16R2.88 CC(Sc1ccccc1)c2ccccc2 62a_100000719477_100000230085 [0,1,0,0,0,0|2,0,0]=3 1587 B16R2.88 CC(Sc1ccccc1)c2cnccn2 62a_100000719477_200000703233 [0,1,0,0,0,0|2,0,0]=3 1588 B16R2.88 CC(Sc1ccccc1)c2cnccn2 62a_200000703233_100000041952 [0,1,0,0,0,0|2,0,0]=3 1589 B16R2.88 CC(Sc1ccccn1)c2ccccc2 62a_100000230085_100011216584 [0,1,0,0,0,0|3,0,0]=4 1590 B16R2.88 CC(Sc1ccccn1)c2ccccc2 62a_100011216584_100000230085 [0,1,0,0,0,0|3,0,0]=4 1591 B16R2.88 CC(Sc1ccccn1)c2cnccn2 62a_100011216584_200000703233 [0,1,0,0,0,0|3,0,0]=4 1592 B16R2.88 CC(Sc1ccccn1)c2cnccn2 62a_200000703233_100011216584 [0,1,0,0,0,0|3,0,0]=4 1593 B16R2.88 CC(Sc1cccnc1)c2ccccc2 62a_100000210063_100000230085 [0,1,0,0,0,0|2,0,0]=3 1594 B16R2.88 CC(Sc1cccnc1)c2ccccc2 62a_100000230085_100000210063 [0,1,0,0,0,0|2,0,0]=3 1595 B16R2.88 CC(Sc1cccnc1)c2cnccn2 62a_100000210063_200000703233 [0,1,0,0,0,0|3,0,0]=4 1596 B16R2.88 CC(Sc1cccnc1)c2cnccn2 62a_200000703233_100000210063 [0,1,0,0,0,0|3,0,0]=4 1597 B16R2.88 CC(Sc1cccnn1)c2ccccc2 62a_100000230085_100016991348 [0,1,0,0,0,0|3,0,0]=4 1598 B16R2.88 CC(Sc1cccnn1)c2ccccc2 62a_100016991348_100000230085 [0,1,0,0,0,0|3,0,0]=4 1599 B16R2.88 CC(Sc1ccncc1)c2ccccc2 62a_100000230085_100000728582 [0,1,0,0,0,0|3,0,0]=4 1600 B16R2.88 CC(Sc1ccncc1)c2ccccc2 62a_100000728582_100000230085 [0,1,0,0,0,0|3,0,0]=4 1601 B16R2.88 CC(Sc1ccncc1)c2cnccn2 62a_100000728582_200000703233 [0,1,0,0,0,0|3,0,0]=4 1602 B16R2.88 CC(Sc1ccncc1)c2cnccn2 62a_200000703233_100000728582 [0,1,0,0,0,0|3,0,0]=4 1603 B16R2.88 CC(Sc1ccnnc1)c2ccccc2 62a_100000230085_100000732662 [0,1,0,0,0,0|3,0,0]=4 1604 B16R2.88 CC(Sc1ccnnc1)c2ccccc2 62a_100000732662_100000230085 [0,1,0,0,0,0|3,0,0]=4 1605 B16R2.88 CC(Sc1cnccn1)c2ccccc2 62a_100000211759_100000230085 [0,1,0,0,0,0|3,0,0]=4 1606 B16R2.88 CC(Sc1cnccn1)c2ccccc2 62a_100000230085_100000211759 [0,1,0,0,0,0|3,0,0]=4 1607 B16R2.88 CC(Sc1cncnc1)c2ccccc2 62a_100000230085_100011206942 [0,1,0,0,0,0|3,0,0]=4 1608 B16R2.88 CC(Sc1cncnc1)c2ccccc2 62a_100011206942_100000230085 [0,1,0,0,0,0|3,0,0]=4 1609 B16R2.88 CN(Cc1ccccc1)c2ccccc2 2230a_100000188819_200000210301 [0,1,0,0,0,0|1,0,0]=2 1610 B16R2.88 CN(Cc1ccccc1)c2ccccc2 2230a_100000210012_100015291786 [0,1,0,0,0,0|1,0,0]=2 1611 B16R2.88 CN(Cc1ccccc1)c2ccccc2 269982a_100000188819_200000210301 [0,1,0,0,0,0|1,0,0]=2 1612 B16R2.88 CN(Cc1ccccc1)c2ccccc2 269982a_100000210012_100000211182 [0,1,0,0,0,0|1,0,0]=2 1613 B16R2.88 CN(Cc1ccccc1)c2ccccc2 34a_100000188819_200000210301 [0,1,0,0,0,0|1,0,0]=2 1614 B16R2.88 CN(Cc1ccccc1)c2ccccc2 34a_100000210012_100015291786 [0,1,0,0,0,0|1,0,0]=2 1615 B16R2.88 CN(Cc1ccccc1)c2cccnn2 27a_100000186898_100016991348 [0,1,0,0,0,0|3,0,0]=4 1616 B16R2.88 CN(Cc1ccccc1)c2ccncn2 27a_100000186898_100000703185 [0,1,0,0,0,0|3,0,0]=4 1617 B16R2.88 CN(Cc1ccccc1)c2cnccn2 27a_100000186898_100000211759 [0,1,0,0,0,0|3,0,0]=4 1618 B16R2.88 CN(Cc1ccccc1)c2ncccn2 27a_100000186898_100000211032 [0,1,0,0,0,0|3,0,0]=4 1619 B16R2.88 CN(Cc1ccccn1)c2ccccc2 2230a_100000210012_100000721315 [0,1,0,0,0,0|2,0,0]=3 1620 B16R2.88 CN(Cc1ccccn1)c2ccccc2 269982a_100000210012_100000721315 [0,1,0,0,0,0|2,0,0]=3 1621 B16R2.88 CN(Cc1ccccn1)c2ccccc2 34a_100000210012_100000721315 [0,1,0,0,0,0|2,0,0]=3 1622 B16R2.88 CN(Cc1cccnc1)c2ccccc2 2230a_100000210012_100000741622 [0,1,0,0,0,0|0,0,0]=1 1623 B16R2.88 CN(Cc1cccnc1)c2ccccc2 269982a_100000210012_100000733263 [0,1,0,0,0,0|0,0,0]=1 1624 B16R2.88 CN(Cc1cccnc1)c2ccccc2 34a_100000210012_100000733263 [0,1,0,0,0,0|0,0,0]=1 1625 B16R2.88 CN(Cc1cccnc1)c2cccnn2 27a_100000184577_100016991348 [0,1,0,0,0,0|2,0,0]=3 1626 B16R2.88 CN(Cc1cccnc1)c2ccncn2 27a_100000184577_100000703185 [0,1,0,0,0,0|2,0,0]=3 1627 B16R2.88 CN(Cc1cccnc1)c2cnccn2 27a_100000184577_100000211759 [0,1,0,0,0,0|2,0,0]=3 1628 B16R2.88 CN(Cc1cccnc1)c2ncccn2 27a_100000184577_100000211032 [0,1,0,0,0,0|2,0,0]=3 1629 B16R2.88 CN(Cc1cccnn1)c2ccccc2 2230a_100000210012_100016990269 [0,1,0,0,0,0|1,0,0]=2 1630 B16R2.88 CN(Cc1cccnn1)c2ccccc2 34a_100000210012_100016990269 [0,1,0,0,0,0|1,0,0]=2 1631 B16R2.88 CN(Cc1ccncc1)c2ccccc2 2230a_100000210012_100015193705 [0,1,0,0,0,0|2,0,0]=3 1632 B16R2.88 CN(Cc1ccncc1)c2ccccc2 269982a_100000210012_100015193705 [0,1,0,0,0,0|2,0,0]=3 1633 B16R2.88 CN(Cc1cnccn1)c2ccccc2 2230a_100000210012_100016995436 [0,1,0,0,0,0|1,0,0]=2 1634 B16R2.88 CN(Cc1cnccn1)c2ccccc2 269982a_100000210012_100016995436 [0,1,0,0,0,0|1,0,0]=2 1635 B16R2.88 CN(Cc1cnccn1)c2ccccc2 34a_100000210012_100016995436 [0,1,0,0,0,0|1,0,0]=2 1636 B16R2.88 CN(Cc1cnccn1)c2cccnn2 27a_100011269079_100016991348 [0,1,0,0,0,0|3,0,0]=4 1637 B16R2.88 CN(Cc1cnccn1)c2ccncn2 27a_100011269079_100000703185 [0,1,0,0,0,0|3,0,0]=4 1638 B16R2.88 CN(Cc1cnccn1)c2cnccn2 27a_100011269079_100000211759 [0,1,0,0,0,0|3,0,0]=4 1639 B16R2.88 CN(Cc1cnccn1)c2ncccn2 27a_100011269079_100000211032 [0,1,0,0,0,0|3,0,0]=4 1640 B16R2.88 CN(Cc1cncnc1)c2ccccc2 2230a_100000210012_100015196519 [0,1,0,0,0,0|1,0,0]=2 1641 B16R2.88 CN(Cc1cncnc1)c2ccccc2 269982a_100000210012_100016991940 [0,1,0,0,0,0|1,0,0]=2 1642 B16R2.88 CN(Cc1cncnc1)c2ccccc2 34a_100000210012_100015196519 [0,1,0,0,0,0|1,0,0]=2 1643 B16R2.88 CN(Cc1ncccn1)c2ccccc2 2230a_100000210012_100000703007 [0,1,0,0,0,0|3,0,0]=4 1644 B16R2.88 CN(Cc1ncccn1)c2ccccc2 269982a_100000210012_100000703007 [0,1,0,0,0,0|3,0,0]=4 1645 B16R2.88 CN(Cc1ncccn1)c2ccccc2 34a_100000210012_100000703007 [0,1,0,0,0,0|3,0,0]=4 1646 B16R2.88 C[C@@H](Nc1cccnn1)c2ccccc2 27a_100000751104_100016991348 [0,1,0,0,0,0|3,0,0]=4 1647 B16R2.88 C[C@@H](Nc1cccnn1)c2cnccn2 27a_100020589798_100016991348 [0,1,0,0,0,0|3,0,0]=4 1648 B16R2.88 C[C@@H](Nc1ccncn1)c2ccccc2 27a_100000751104_100000703185 [0,1,0,0,0,0|3,0,0]=4 1649 B16R2.88 C[C@@H](Nc1ccncn1)c2cnccn2 27a_100020589798_100000703185 [0,1,0,0,0,0|3,0,0]=4 1650 B16R2.88 C[C@@H](Nc1cnccn1)c2ccccc2 27a_100000751104_100000211759 [0,1,0,0,0,0|3,0,0]=4 1651 B16R2.88 C[C@@H](Nc1cnccn1)c2cnccn2 27a_100020589798_100000211759 [0,1,0,0,0,0|3,0,0]=4 1652 B16R2.88 C[C@@H](Nc1ncccn1)c2ccccc2 27a_100000751104_100000211032 [0,1,0,0,0,0|3,0,0]=4 1653 B16R2.88 C[C@@H](Nc1ncccn1)c2cnccn2 27a_100020589798_100000211032 [0,1,0,0,0,0|3,0,0]=4 1654 B16R2.88 O=C(Cc1ccccc1)c2ccccc2 1458a_100000185807_100015291786 [0,1,0,0,0,0|2,0,0]=3 1655 B16R2.88 O=C(Cc1ccccn1)c2ccccc2 1458a_100000185807_100000721315 [0,1,0,0,0,0|3,0,0]=4 1656 B16R2.88 O=C(Cc1cccnc1)c2ccccc2 1458a_100000185807_100000733263 [0,1,0,0,0,0|1,0,0]=2 1657 B16R2.88 O=C(Cc1cccnn1)c2ccccc2 1458a_100000185807_100016990269 [0,1,0,0,0,0|2,0,0]=3 1658 B16R2.88 O=C(Cc1ccncc1)c2ccccc2 1458a_100000185807_100000705612 [0,1,0,0,0,0|3,0,0]=4 1659 B16R2.88 O=C(Cc1cnccn1)c2ccccc2 1458a_100000185807_100016995436 [0,1,0,0,0,0|2,0,0]=3 1660 B16R2.88 O=C(Cc1cncnc1)c2ccccc2 1458a_100000185807_100015196519 [0,1,0,0,0,0|2,0,0]=3 1661 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 11a_100000106764_100000185807 [0,1,0,0,0,0|1,0,1]=3 1662 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 1626a_100000106764_100000185807 [0,1,0,0,0,0|1,0,1]=3 1663 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 22a_100000106764_100000185807 [0,1,0,0,0,0|1,0,1]=3 1664 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 527a_100000106764_100000185807 [0,1,0,0,0,0|1,0,1]=3 1665 B16R2.88 [13CH3]N(Cc1ccccc1)c2ccccc2 2230a_100000188819_200025704644 [0,1,0,0,0,0|1,0,0]=2 1666 B16R2.88 [13CH3]N(Cc1ccccc1)c2ccccc2 269982a_100000188819_200025704644 [0,1,0,0,0,0|1,0,0]=2 1667 B16R2.88 [13CH3]N(Cc1ccccc1)c2ccccc2 34a_100000188819_200025704644 [0,1,0,0,0,0|1,0,0]=2 1668 B16R2.132 Brc1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100000752885 [0,1,0,0,0,0|2,0,1]=4 1669 B16R2.132 Brc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000752885 [0,1,0,0,0,0|2,0,1]=4 1670 B16R2.132 Brc1ccc(cc1)C=Cc2ccccc2 271570a_100102527914_100000210277 [0,1,0,0,0,0|2,0,1]=4 1671 B16R2.132 Brc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000752885 [0,1,0,0,0,0|1,0,1]=3 1672 B16R2.132 Brc1ccc(cc1)C=Cc2cccnc2 271570a_100102527914_100000752921 [0,1,0,0,0,0|1,0,1]=3 1673 B16R2.132 Brc1ccc(cc1)C=Cc2cccnn2 271570a_100102527914_100016991348 [0,1,0,0,0,0|2,0,1]=4 1674 B16R2.132 Brc1ccc(cc1)C=Cc2ccnnc2 271570a_100102527914_100000732662 [0,1,0,0,0,0|2,0,1]=4 1675 B16R2.132 Brc1ccc(cc1)C=Cc2cnccn2 271570a_100102527914_100000758340 [0,1,0,0,0,0|2,0,1]=4 1676 B16R2.132 Brc1ccc(cc1)C=Cc2cncnc2 271570a_100102527914_100011206942 [0,1,0,0,0,0|2,0,1]=4 1677 B16R2.132 Brc1ccc(cc1)CNc2ccccc2 207a_100000106764_100000186029 [0,1,0,0,0,0|1,0,0]=2 1678 B16R2.132 Brc1ccc(cc1)CNc2ccccc2 270302a_100000106764_100000186029 [0,1,0,0,0,0|1,0,0]=2 1679 B16R2.132 Brc1ccc(cc1)CNc2ccccc2 34a_100000106764_100000189115 [0,1,0,0,0,0|1,0,0]=2 1680 B16R2.132 Brc1ccc(cc1)CNc2cccnn2 27a_100000174875_100016991348 [0,1,0,0,0,0|3,0,0]=4 1681 B16R2.132 Brc1ccc(cc1)CNc2ccncn2 27a_100000174875_100000703185 [0,1,0,0,0,0|3,0,0]=4 1682 B16R2.132 Brc1ccc(cc1)CNc2cnccn2 27a_100000174875_100000211759 [0,1,0,0,0,0|3,0,0]=4 1683 B16R2.132 Brc1ccc(cc1)CNc2ncccn2 27a_100000174875_100000211032 [0,1,0,0,0,0|3,0,0]=4 1684 B16R2.132 Brc1ccc(cc1)COc2ccccc2 34a_100000210340_100000189115 [0,1,0,0,0,0|2,0,0]=3 1685 B16R2.132 Brc1ccc(cc1)COc2ccccc2 7a_100000210340_100011217064 [0,1,0,0,0,0|2,0,0]=3 1686 B16R2.132 Brc1ccc(cc1)COc2cccnc2 34a_100000210849_100000189115 [0,1,0,0,0,0|2,0,0]=3 1687 B16R2.132 Brc1ccc(cc1)COc2cccnc2 7a_100000210849_100011217064 [0,1,0,0,0,0|2,0,0]=3 1688 B16R2.132 Brc1ccc(cc1)COc2ccncc2 34a_100000212176_100000189115 [0,1,0,0,0,0|3,0,0]=4 1689 B16R2.132 Brc1ccc(cc1)COc2ccnnc2 34a_100015204005_100000189115 [0,1,0,0,0,0|3,0,0]=4 1690 B16R2.132 Brc1ccc(cc1)COc2cncnc2 7a_100000754086_100011217064 [0,1,0,0,0,0|3,0,0]=4 1691 B16R2.132 Brc1ccc(cc1)CSc2ccccc2 62a_100000189115_100000041952 [0,1,0,0,0,0|2,0,0]=3 1692 B16R2.132 Brc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000189115 [0,1,0,0,0,0|2,0,0]=3 1693 B16R2.132 Brc1ccc(cc1)CSc2ccccn2 62a_100000189115_100011216584 [0,1,0,0,0,0|3,0,0]=4 1694 B16R2.132 Brc1ccc(cc1)CSc2ccccn2 62a_100011216584_100000189115 [0,1,0,0,0,0|3,0,0]=4 1695 B16R2.132 Brc1ccc(cc1)CSc2cccnc2 62a_100000189115_100000210063 [0,1,0,0,0,0|2,0,0]=3 1696 B16R2.132 Brc1ccc(cc1)CSc2cccnc2 62a_100000210063_100000189115 [0,1,0,0,0,0|2,0,0]=3 1697 B16R2.132 Brc1ccc(cc1)CSc2cccnn2 62a_100000189115_100016991348 [0,1,0,0,0,0|3,0,0]=4 1698 B16R2.132 Brc1ccc(cc1)CSc2cccnn2 62a_100016991348_100000189115 [0,1,0,0,0,0|3,0,0]=4 1699 B16R2.132 Brc1ccc(cc1)CSc2ccncc2 62a_100000189115_100000728582 [0,1,0,0,0,0|3,0,0]=4 1700 B16R2.132 Brc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000189115 [0,1,0,0,0,0|3,0,0]=4 1701 B16R2.132 Brc1ccc(cc1)CSc2ccnnc2 62a_100000189115_100000732662 [0,1,0,0,0,0|3,0,0]=4 1702 B16R2.132 Brc1ccc(cc1)CSc2ccnnc2 62a_100000732662_100000189115 [0,1,0,0,0,0|3,0,0]=4 1703 B16R2.132 Brc1ccc(cc1)CSc2cnccn2 62a_100000189115_100000211759 [0,1,0,0,0,0|3,0,0]=4 1704 B16R2.132 Brc1ccc(cc1)CSc2cnccn2 62a_100000211759_100000189115 [0,1,0,0,0,0|3,0,0]=4 1705 B16R2.132 Brc1ccc(cc1)CSc2cncnc2 62a_100000189115_100011206942 [0,1,0,0,0,0|3,0,0]=4 1706 B16R2.132 Brc1ccc(cc1)CSc2cncnc2 62a_100011206942_100000189115 [0,1,0,0,0,0|3,0,0]=4 1707 B16R2.132 Brc1ccc(cc1)NCc2ccccc2 207a_100000210018_100015611070 [0,1,0,0,0,0|1,0,0]=2 1708 B16R2.132 Brc1ccc(cc1)NCc2ccccc2 2230a_100000210018_100015291786 [0,1,0,0,0,0|1,0,0]=2 1709 B16R2.132 Brc1ccc(cc1)NCc2ccccc2 270302a_100000210018_100015611070 [0,1,0,0,0,0|1,0,0]=2 1710 B16R2.132 Brc1ccc(cc1)NCc2ccccc2 34a_100000210018_100015291786 [0,1,0,0,0,0|1,0,0]=2 1711 B16R2.132 Brc1ccc(cc1)NCc2ccccn2 207a_100000210018_100000209966 [0,1,0,0,0,0|2,0,0]=3 1712 B16R2.132 Brc1ccc(cc1)NCc2ccccn2 2230a_100000210018_100000721315 [0,1,0,0,0,0|2,0,0]=3 1713 B16R2.132 Brc1ccc(cc1)NCc2ccccn2 270302a_100000210018_100000209966 [0,1,0,0,0,0|2,0,0]=3 1714 B16R2.132 Brc1ccc(cc1)NCc2ccccn2 34a_100000210018_100000721315 [0,1,0,0,0,0|2,0,0]=3 1715 B16R2.132 Brc1ccc(cc1)NCc2cccnc2 207a_100000210018_100000209961 [0,1,0,0,0,0|0,0,0]=1 1716 B16R2.132 Brc1ccc(cc1)NCc2cccnc2 2230a_100000210018_100000741622 [0,1,0,0,0,0|0,0,0]=1 1717 B16R2.132 Brc1ccc(cc1)NCc2cccnc2 270302a_100000210018_100000209961 [0,1,0,0,0,0|0,0,0]=1 1718 B16R2.132 Brc1ccc(cc1)NCc2cccnc2 34a_100000210018_100000733263 [0,1,0,0,0,0|0,0,0]=1 1719 B16R2.132 Brc1ccc(cc1)NCc2cccnn2 2230a_100000210018_100016990269 [0,1,0,0,0,0|1,0,0]=2 1720 B16R2.132 Brc1ccc(cc1)NCc2cccnn2 34a_100000210018_100016990269 [0,1,0,0,0,0|1,0,0]=2 1721 B16R2.132 Brc1ccc(cc1)NCc2ccncc2 207a_100000210018_100000186114 [0,1,0,0,0,0|2,0,0]=3 1722 B16R2.132 Brc1ccc(cc1)NCc2ccncc2 2230a_100000210018_100015193705 [0,1,0,0,0,0|2,0,0]=3 1723 B16R2.132 Brc1ccc(cc1)NCc2ccnnc2 270302a_100000210018_100011934578 [0,1,0,0,0,0|1,0,0]=2 1724 B16R2.132 Brc1ccc(cc1)NCc2cnccn2 2230a_100000210018_100016995436 [0,1,0,0,0,0|1,0,0]=2 1725 B16R2.132 Brc1ccc(cc1)NCc2cnccn2 34a_100000210018_100016995436 [0,1,0,0,0,0|1,0,0]=2 1726 B16R2.132 Brc1ccc(cc1)NCc2cncnc2 2230a_100000210018_100015196519 [0,1,0,0,0,0|1,0,0]=2 1727 B16R2.132 Brc1ccc(cc1)NCc2cncnc2 270302a_100000210018_100000749868 [0,1,0,0,0,0|1,0,0]=2 1728 B16R2.132 Brc1ccc(cc1)NCc2cncnc2 34a_100000210018_100015196519 [0,1,0,0,0,0|1,0,0]=2 1729 B16R2.132 Brc1ccc(cc1)NCc2ncccn2 2230a_100000210018_100000703007 [0,1,0,0,0,0|3,0,0]=4 1730 B16R2.132 Brc1ccc(cc1)NCc2ncccn2 34a_100000210018_100000703007 [0,1,0,0,0,0|3,0,0]=4 1731 B16R2.132 Brc1ccc(cc1)OCc2ccccc2 34a_100000185759_100015291786 [0,1,0,0,0,0|2,0,0]=3 1732 B16R2.132 Brc1ccc(cc1)OCc2ccccc2 7a_100000185759_100000211182 [0,1,0,0,0,0|2,0,0]=3 1733 B16R2.132 Brc1ccc(cc1)OCc2ccccn2 34a_100000185759_100000721315 [0,1,0,0,0,0|3,0,0]=4 1734 B16R2.132 Brc1ccc(cc1)OCc2ccccn2 7a_100000185759_100000721315 [0,1,0,0,0,0|3,0,0]=4 1735 B16R2.132 Brc1ccc(cc1)OCc2cccnc2 34a_100000185759_100000733263 [0,1,0,0,0,0|1,0,0]=2 1736 B16R2.132 Brc1ccc(cc1)OCc2cccnc2 7a_100000185759_100000741622 [0,1,0,0,0,0|1,0,0]=2 1737 B16R2.132 Brc1ccc(cc1)OCc2cccnn2 34a_100000185759_100016990269 [0,1,0,0,0,0|2,0,0]=3 1738 B16R2.132 Brc1ccc(cc1)OCc2cccnn2 7a_100000185759_100016990269 [0,1,0,0,0,0|2,0,0]=3 1739 B16R2.132 Brc1ccc(cc1)OCc2ccncc2 7a_100000185759_100015193705 [0,1,0,0,0,0|3,0,0]=4 1740 B16R2.132 Brc1ccc(cc1)OCc2cnccn2 34a_100000185759_100016995436 [0,1,0,0,0,0|2,0,0]=3 1741 B16R2.132 Brc1ccc(cc1)OCc2cnccn2 7a_100000185759_100016995436 [0,1,0,0,0,0|2,0,0]=3 1742 B16R2.132 Brc1ccc(cc1)OCc2cncnc2 34a_100000185759_100015196519 [0,1,0,0,0,0|2,0,0]=3 1743 B16R2.132 Brc1ccc(cc1)OCc2cncnc2 7a_100000185759_100015196519 [0,1,0,0,0,0|2,0,0]=3 1744 B16R2.132 Brc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000752885 [0,1,0,0,0,0|2,0,0]=3 1745 B16R2.132 Brc1ccc(cc1)SCc2ccccc2 62a_100000752885_100015291786 [0,1,0,0,0,0|2,0,0]=3 1746 B16R2.132 Brc1ccc(cc1)SCc2ccccn2 62a_100000721315_100000752885 [0,1,0,0,0,0|3,0,0]=4 1747 B16R2.132 Brc1ccc(cc1)SCc2ccccn2 62a_100000752885_100000721315 [0,1,0,0,0,0|3,0,0]=4 1748 B16R2.132 Brc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000752885 [0,1,0,0,0,0|1,0,0]=2 1749 B16R2.132 Brc1ccc(cc1)SCc2cccnc2 62a_100000752885_100000741622 [0,1,0,0,0,0|1,0,0]=2 1750 B16R2.132 Brc1ccc(cc1)SCc2cccnn2 62a_100000752885_100016990269 [0,1,0,0,0,0|2,0,0]=3 1751 B16R2.132 Brc1ccc(cc1)SCc2cccnn2 62a_100016990269_100000752885 [0,1,0,0,0,0|2,0,0]=3 1752 B16R2.132 Brc1ccc(cc1)SCc2ccncc2 62a_100000752885_100015193705 [0,1,0,0,0,0|3,0,0]=4 1753 B16R2.132 Brc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000752885 [0,1,0,0,0,0|3,0,0]=4 1754 B16R2.132 Brc1ccc(cc1)SCc2cnccn2 62a_100000752885_100016995436 [0,1,0,0,0,0|2,0,0]=3 1755 B16R2.132 Brc1ccc(cc1)SCc2cnccn2 62a_100016995436_100000752885 [0,1,0,0,0,0|2,0,0]=3 1756 B16R2.132 Brc1ccc(cc1)SCc2cncnc2 62a_100000752885_100015196519 [0,1,0,0,0,0|2,0,0]=3 1757 B16R2.132 Brc1ccc(cc1)SCc2cncnc2 62a_100015196519_100000752885 [0,1,0,0,0,0|2,0,0]=3 1758 B16R2.132 Brc1ccc(cn1)C#Cc2ccccc2 271570a_100000069678_100009814638 [0,1,0,0,0,0|1,0,1]=3 1759 B16R2.132 Brc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100009814638 [0,1,0,0,0,0|1,0,1]=3 1760 B16R2.132 Brc1ccc(cn1)C=Cc2cccnc2 271570a_100102525586_100009814638 [0,1,0,0,0,0|2,0,1]=4 1761 B16R2.132 Brc1ccc(cn1)CNc2ccccc2 34a_100000106764_100009831999 [0,1,0,0,0,0|0,0,0]=1 1762 B16R2.132 Brc1ccc(cn1)CNc2cccnn2 27a_100009817727_100016991348 [0,1,0,0,0,0|2,0,0]=3 1763 B16R2.132 Brc1ccc(cn1)CNc2ccncn2 27a_100009817727_100000703185 [0,1,0,0,0,0|2,0,0]=3 1764 B16R2.132 Brc1ccc(cn1)CNc2cnccn2 27a_100009817727_100000211759 [0,1,0,0,0,0|2,0,0]=3 1765 B16R2.132 Brc1ccc(cn1)CNc2ncccn2 27a_100009817727_100000211032 [0,1,0,0,0,0|2,0,0]=3 1766 B16R2.132 Brc1ccc(cn1)COc2ccccc2 34a_100000210340_100009831999 [0,1,0,0,0,0|1,0,0]=2 1767 B16R2.132 Brc1ccc(cn1)COc2ccccc2 7a_100000210340_100009831999 [0,1,0,0,0,0|1,0,0]=2 1768 B16R2.132 Brc1ccc(cn1)COc2cccnc2 34a_100000210849_100009831999 [0,1,0,0,0,0|2,0,0]=3 1769 B16R2.132 Brc1ccc(cn1)COc2cccnc2 7a_100000210849_100009831999 [0,1,0,0,0,0|2,0,0]=3 1770 B16R2.132 Brc1ccc(cn1)COc2ccncc2 34a_100000212176_100009831999 [0,1,0,0,0,0|2,0,0]=3 1771 B16R2.132 Brc1ccc(cn1)COc2ccnnc2 34a_100015204005_100009831999 [0,1,0,0,0,0|3,0,0]=4 1772 B16R2.132 Brc1ccc(cn1)COc2cncnc2 7a_100000754086_100009831999 [0,1,0,0,0,0|3,0,0]=4 1773 B16R2.132 Brc1ccc(cn1)CSc2ccccc2 62a_100000719477_100009831999 [0,1,0,0,0,0|1,0,0]=2 1774 B16R2.132 Brc1ccc(cn1)CSc2ccccc2 62a_100009831999_100000041952 [0,1,0,0,0,0|1,0,0]=2 1775 B16R2.132 Brc1ccc(cn1)CSc2ccccn2 62a_100009831999_100011216584 [0,1,0,0,0,0|2,0,0]=3 1776 B16R2.132 Brc1ccc(cn1)CSc2ccccn2 62a_100011216584_100009831999 [0,1,0,0,0,0|2,0,0]=3 1777 B16R2.132 Brc1ccc(cn1)CSc2cccnc2 62a_100000210063_100009831999 [0,1,0,0,0,0|2,0,0]=3 1778 B16R2.132 Brc1ccc(cn1)CSc2cccnc2 62a_100009831999_100000210063 [0,1,0,0,0,0|2,0,0]=3 1779 B16R2.132 Brc1ccc(cn1)CSc2cccnn2 62a_100009831999_100016991348 [0,1,0,0,0,0|3,0,0]=4 1780 B16R2.132 Brc1ccc(cn1)CSc2cccnn2 62a_100016991348_100009831999 [0,1,0,0,0,0|3,0,0]=4 1781 B16R2.132 Brc1ccc(cn1)CSc2ccncc2 62a_100000728582_100009831999 [0,1,0,0,0,0|2,0,0]=3 1782 B16R2.132 Brc1ccc(cn1)CSc2ccncc2 62a_100009831999_100000728582 [0,1,0,0,0,0|2,0,0]=3 1783 B16R2.132 Brc1ccc(cn1)CSc2ccncn2 62a_100000703185_100009831999 [0,1,0,0,0,0|3,0,0]=4 1784 B16R2.132 Brc1ccc(cn1)CSc2ccncn2 62a_100009831999_100000703185 [0,1,0,0,0,0|3,0,0]=4 1785 B16R2.132 Brc1ccc(cn1)CSc2ccnnc2 62a_100000732662_100009831999 [0,1,0,0,0,0|3,0,0]=4 1786 B16R2.132 Brc1ccc(cn1)CSc2ccnnc2 62a_100009831999_100000732662 [0,1,0,0,0,0|3,0,0]=4 1787 B16R2.132 Brc1ccc(cn1)CSc2cnccn2 62a_100000211759_100009831999 [0,1,0,0,0,0|3,0,0]=4 1788 B16R2.132 Brc1ccc(cn1)CSc2cnccn2 62a_100009831999_100000211759 [0,1,0,0,0,0|3,0,0]=4 1789 B16R2.132 Brc1ccc(cn1)CSc2cncnc2 62a_100009831999_100011206942 [0,1,0,0,0,0|3,0,0]=4 1790 B16R2.132 Brc1ccc(cn1)CSc2cncnc2 62a_100011206942_100009831999 [0,1,0,0,0,0|3,0,0]=4 1791 B16R2.132 Brc1ccc(cn1)CSc2ncccn2 62a_100000211032_100009831999 [0,1,0,0,0,0|3,0,0]=4 1792 B16R2.132 Brc1ccc(cn1)CSc2ncccn2 62a_100009831999_100000211032 [0,1,0,0,0,0|3,0,0]=4 1793 B16R2.132 Brc1ccc(cn1)OCc2ccccc2 34a_100000685995_100015291786 [0,1,0,0,0,0|2,0,0]=3 1794 B16R2.132 Brc1ccc(cn1)OCc2ccccc2 7a_100000685995_100000211182 [0,1,0,0,0,0|2,0,0]=3 1795 B16R2.132 Brc1ccc(cn1)OCc2ccccn2 34a_100000685995_100000721315 [0,1,0,0,0,0|3,0,0]=4 1796 B16R2.132 Brc1ccc(cn1)OCc2ccccn2 7a_100000685995_100000721315 [0,1,0,0,0,0|3,0,0]=4 1797 B16R2.132 Brc1ccc(cn1)OCc2cccnc2 34a_100000685995_100000733263 [0,1,0,0,0,0|2,0,0]=3 1798 B16R2.132 Brc1ccc(cn1)OCc2cccnc2 7a_100000685995_100000741622 [0,1,0,0,0,0|2,0,0]=3 1799 B16R2.132 Brc1ccc(cn1)OCc2cccnn2 34a_100000685995_100016990269 [0,1,0,0,0,0|3,0,0]=4 1800 B16R2.132 Brc1ccc(cn1)OCc2cccnn2 7a_100000685995_100016990269 [0,1,0,0,0,0|3,0,0]=4 1801 B16R2.132 Brc1ccc(cn1)OCc2ccncc2 7a_100000685995_100015193705 [0,1,0,0,0,0|3,0,0]=4 1802 B16R2.132 Brc1ccc(cn1)OCc2cnccn2 34a_100000685995_100016995436 [0,1,0,0,0,0|3,0,0]=4 1803 B16R2.132 Brc1ccc(cn1)OCc2cnccn2 7a_100000685995_100016995436 [0,1,0,0,0,0|3,0,0]=4 1804 B16R2.132 Brc1ccc(cn1)OCc2cncnc2 34a_100000685995_100015196519 [0,1,0,0,0,0|3,0,0]=4 1805 B16R2.132 Brc1ccc(cn1)OCc2cncnc2 7a_100000685995_100015196519 [0,1,0,0,0,0|3,0,0]=4 1806 B16R2.132 Brc1ccc(cn1)SCc2ccccc2 62a_100000211182_100009814638 [0,1,0,0,0,0|2,0,0]=3 1807 B16R2.132 Brc1ccc(cn1)SCc2ccccc2 62a_100009814638_100015291786 [0,1,0,0,0,0|2,0,0]=3 1808 B16R2.132 Brc1ccc(cn1)SCc2ccccn2 62a_100000721315_100009814638 [0,1,0,0,0,0|3,0,0]=4 1809 B16R2.132 Brc1ccc(cn1)SCc2ccccn2 62a_100009814638_100000721315 [0,1,0,0,0,0|3,0,0]=4 1810 B16R2.132 Brc1ccc(cn1)SCc2cccnc2 62a_100000741622_100009814638 [0,1,0,0,0,0|2,0,0]=3 1811 B16R2.132 Brc1ccc(cn1)SCc2cccnc2 62a_100009814638_100000741622 [0,1,0,0,0,0|2,0,0]=3 1812 B16R2.132 Brc1ccc(cn1)SCc2cccnn2 62a_100009814638_100016990269 [0,1,0,0,0,0|3,0,0]=4 1813 B16R2.132 Brc1ccc(cn1)SCc2cccnn2 62a_100016990269_100009814638 [0,1,0,0,0,0|3,0,0]=4 1814 B16R2.132 Brc1ccc(cn1)SCc2ccncc2 62a_100009814638_100015193705 [0,1,0,0,0,0|3,0,0]=4 1815 B16R2.132 Brc1ccc(cn1)SCc2ccncc2 62a_100015193705_100009814638 [0,1,0,0,0,0|3,0,0]=4 1816 B16R2.132 Brc1ccc(cn1)SCc2cnccn2 62a_100009814638_100016995436 [0,1,0,0,0,0|3,0,0]=4 1817 B16R2.132 Brc1ccc(cn1)SCc2cnccn2 62a_100016995436_100009814638 [0,1,0,0,0,0|3,0,0]=4 1818 B16R2.132 Brc1ccc(cn1)SCc2cncnc2 62a_100009814638_100015196519 [0,1,0,0,0,0|3,0,0]=4 1819 B16R2.132 Brc1ccc(cn1)SCc2cncnc2 62a_100015196519_100009814638 [0,1,0,0,0,0|3,0,0]=4 1820 B16R2.132 Brc1ccc(nc1)C=Cc2cccnc2 271570a_100102525586_100000686858 [0,1,0,0,0,0|2,0,1]=4 1821 B16R2.132 Brc1ccc(nc1)CNc2ccccc2 207a_100000106764_100000754260 [0,1,0,0,0,0|2,0,0]=3 1822 B16R2.132 Brc1ccc(nc1)CNc2ccccc2 270302a_100000106764_100000754260 [0,1,0,0,0,0|2,0,0]=3 1823 B16R2.132 Brc1ccc(nc1)CNc2ccccc2 34a_100000106764_100000702658 [0,1,0,0,0,0|2,0,0]=3 1824 B16R2.132 Brc1ccc(nc1)COc2ccccc2 34a_100000210340_100000702658 [0,1,0,0,0,0|3,0,0]=4 1825 B16R2.132 Brc1ccc(nc1)COc2ccccc2 7a_100000210340_100000702658 [0,1,0,0,0,0|3,0,0]=4 1826 B16R2.132 Brc1ccc(nc1)COc2cccnc2 34a_100000210849_100000702658 [0,1,0,0,0,0|3,0,0]=4 1827 B16R2.132 Brc1ccc(nc1)COc2cccnc2 7a_100000210849_100000702658 [0,1,0,0,0,0|3,0,0]=4 1828 B16R2.132 Brc1ccc(nc1)CSc2ccccc2 62a_100000702658_100000041952 [0,1,0,0,0,0|3,0,0]=4 1829 B16R2.132 Brc1ccc(nc1)CSc2ccccc2 62a_100000719477_100000702658 [0,1,0,0,0,0|3,0,0]=4 1830 B16R2.132 Brc1ccc(nc1)CSc2cccnc2 62a_100000210063_100000702658 [0,1,0,0,0,0|3,0,0]=4 1831 B16R2.132 Brc1ccc(nc1)CSc2cccnc2 62a_100000702658_100000210063 [0,1,0,0,0,0|3,0,0]=4 1832 B16R2.132 Brc1ccc(nc1)NCc2ccccc2 27a_100015324214_100000686858 [0,1,0,0,0,0|2,0,0]=3 1833 B16R2.132 Brc1ccc(nc1)NCc2ccccn2 27a_100000210449_100000686858 [0,1,0,0,0,0|3,0,0]=4 1834 B16R2.132 Brc1ccc(nc1)NCc2cccnc2 27a_100000210453_100000686858 [0,1,0,0,0,0|1,0,0]=2 1835 B16R2.132 Brc1ccc(nc1)NCc2cccnn2 27a_100159270163_100000686858 [0,1,0,0,0,0|2,0,0]=3 1836 B16R2.132 Brc1ccc(nc1)NCc2ccncc2 27a_100000210450_100000686858 [0,1,0,0,0,0|3,0,0]=4 1837 B16R2.132 Brc1ccc(nc1)NCc2cnccn2 27a_100000737960_100000686858 [0,1,0,0,0,0|2,0,0]=3 1838 B16R2.132 Brc1ccc(nc1)NCc2cncnc2 27a_100011243677_100000686858 [0,1,0,0,0,0|2,0,0]=3 1839 B16R2.132 Brc1ccc(nc1)SCc2ccccc2 62a_100000211182_100000686858 [0,1,0,0,0,0|3,0,0]=4 1840 B16R2.132 Brc1ccc(nc1)SCc2ccccc2 62a_100000686858_100015291786 [0,1,0,0,0,0|3,0,0]=4 1841 B16R2.132 Brc1ccc(nc1)SCc2cccnc2 62a_100000686858_100000741622 [0,1,0,0,0,0|2,0,0]=3 1842 B16R2.132 Brc1ccc(nc1)SCc2cccnc2 62a_100000741622_100000686858 [0,1,0,0,0,0|2,0,0]=3 1843 B16R2.132 Brc1ccc(nc1)SCc2cccnn2 62a_100000686858_100016990269 [0,1,0,0,0,0|3,0,0]=4 1844 B16R2.132 Brc1ccc(nc1)SCc2cccnn2 62a_100016990269_100000686858 [0,1,0,0,0,0|3,0,0]=4 1845 B16R2.132 Brc1ccc(nc1)SCc2cnccn2 62a_100000686858_100016995436 [0,1,0,0,0,0|3,0,0]=4 1846 B16R2.132 Brc1ccc(nc1)SCc2cnccn2 62a_100016995436_100000686858 [0,1,0,0,0,0|3,0,0]=4 1847 B16R2.132 Brc1ccc(nc1)SCc2cncnc2 62a_100000686858_100015196519 [0,1,0,0,0,0|3,0,0]=4 1848 B16R2.132 Brc1ccc(nc1)SCc2cncnc2 62a_100015196519_100000686858 [0,1,0,0,0,0|3,0,0]=4 1849 B16R2.132 Brc1cnc(cn1)NCc2ccccc2 27a_100015324214_100010187541 [0,1,0,0,0,0|3,0,0]=4 1850 B16R2.132 Brc1cnc(cn1)NCc2cccnc2 27a_100000210453_100010187541 [0,1,0,0,0,0|2,0,0]=3 1851 B16R2.132 Brc1cnc(cn1)NCc2cccnn2 27a_100159270163_100010187541 [0,1,0,0,0,0|3,0,0]=4 1852 B16R2.132 Brc1cnc(cn1)NCc2cnccn2 27a_100000737960_100010187541 [0,1,0,0,0,0|3,0,0]=4 1853 B16R2.132 Brc1cnc(cn1)NCc2cncnc2 27a_100011243677_100010187541 [0,1,0,0,0,0|3,0,0]=4 1854 B16R2.132 Brc1cnc(cn1)OCc2ccccc2 34a_100011934580_100015291786 [0,1,0,0,0,0|3,0,0]=4 1855 B16R2.132 Brc1cnc(cn1)OCc2cccnc2 34a_100011934580_100000733263 [0,1,0,0,0,0|3,0,0]=4 1856 B16R2.132 Brc1cnc(cn1)SCc2ccccc2 62a_100000211182_100010187541 [0,1,0,0,0,0|3,0,0]=4 1857 B16R2.132 Brc1cnc(cn1)SCc2ccccc2 62a_100010187541_100015291786 [0,1,0,0,0,0|3,0,0]=4 1858 B16R2.132 Brc1cnc(cn1)SCc2cccnc2 62a_100000741622_100010187541 [0,1,0,0,0,0|3,0,0]=4 1859 B16R2.132 Brc1cnc(cn1)SCc2cccnc2 62a_100010187541_100000741622 [0,1,0,0,0,0|3,0,0]=4 1860 B16R2.132 Brc1cnc(nc1)CNc2ccccc2 34a_100000106764_100010064664 [0,1,0,0,0,0|3,0,0]=4 1861 B16R2.132 Brc1cnc(nc1)NCc2ccccc2 27a_100015324214_100000690281 [0,1,0,0,0,0|3,0,0]=4 1862 B16R2.132 Brc1cnc(nc1)NCc2cccnc2 27a_100000210453_100000690281 [0,1,0,0,0,0|2,0,0]=3 1863 B16R2.132 Brc1cnc(nc1)NCc2cccnn2 27a_100159270163_100000690281 [0,1,0,0,0,0|3,0,0]=4 1864 B16R2.132 Brc1cnc(nc1)NCc2cnccn2 27a_100000737960_100000690281 [0,1,0,0,0,0|3,0,0]=4 1865 B16R2.132 Brc1cnc(nc1)NCc2cncnc2 27a_100011243677_100000690281 [0,1,0,0,0,0|3,0,0]=4 1866 B16R2.132 Brc1cnc(nc1)SCc2cccnc2 62a_100000690281_100000741622 [0,1,0,0,0,0|3,0,0]=4 1867 B16R2.132 Brc1cnc(nc1)SCc2cccnc2 62a_100000741622_100000690281 [0,1,0,0,0,0|3,0,0]=4 1868 B16R2.132 Brc1ncc(cn1)C#Cc2ccccc2 271570a_100000069678_200012349914 [0,1,0,0,0,0|2,0,1]=4 1869 B16R2.132 Brc1ncc(cn1)C=Cc2ccccc2 271570a_100102527694_200012349914 [0,1,0,0,0,0|2,0,1]=4 1870 B16R2.132 Brc1ncc(cn1)OCc2ccccc2 34a_100000730009_100015291786 [0,1,0,0,0,0|3,0,0]=4 1871 B16R2.132 Brc1ncc(cn1)OCc2ccccc2 7a_100000730009_100000211182 [0,1,0,0,0,0|3,0,0]=4 1872 B16R2.132 Brc1ncc(cn1)OCc2cccnc2 34a_100000730009_100000733263 [0,1,0,0,0,0|3,0,0]=4 1873 B16R2.132 Brc1ncc(cn1)OCc2cccnc2 7a_100000730009_100000741622 [0,1,0,0,0,0|3,0,0]=4 1874 B16R2.132 Brc1ncc(cn1)SCc2ccccc2 62a_100000211182_200012349914 [0,1,0,0,0,0|3,0,0]=4 1875 B16R2.132 Brc1ncc(cn1)SCc2ccccc2 62a_200012349914_100015291786 [0,1,0,0,0,0|3,0,0]=4 1876 B16R2.132 Brc1ncc(cn1)SCc2cccnc2 62a_100000741622_200012349914 [0,1,0,0,0,0|3,0,0]=4 1877 B16R2.132 Brc1ncc(cn1)SCc2cccnc2 62a_200012349914_100000741622 [0,1,0,0,0,0|3,0,0]=4 1878 B16R2.132 Cc1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100000186775 [0,1,0,0,0,0|2,0,1]=4 1879 B16R2.132 Cc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000186775 [0,1,0,0,0,0|2,0,1]=4 1880 B16R2.132 Cc1ccc(cc1)C=Cc2ccccc2 271570a_100102527916_100000210277 [0,1,0,0,0,0|2,0,1]=4 1881 B16R2.132 Cc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000186775 [0,1,0,0,0,0|1,0,1]=3 1882 B16R2.132 Cc1ccc(cc1)C=Cc2cccnc2 271570a_100102527916_100000752921 [0,1,0,0,0,0|1,0,1]=3 1883 B16R2.132 Cc1ccc(cc1)C=Cc2cccnn2 271570a_100102527916_100016991348 [0,1,0,0,0,0|2,0,1]=4 1884 B16R2.132 Cc1ccc(cc1)C=Cc2ccnnc2 271570a_100102527916_100000732662 [0,1,0,0,0,0|2,0,1]=4 1885 B16R2.132 Cc1ccc(cc1)C=Cc2cnccn2 271570a_100102527916_100000758340 [0,1,0,0,0,0|2,0,1]=4 1886 B16R2.132 Cc1ccc(cc1)C=Cc2cncnc2 271570a_100102527916_100011206942 [0,1,0,0,0,0|2,0,1]=4 1887 B16R2.132 Cc1ccc(cc1)CNc2ccccc2 207a_100000106764_100000211033 [0,1,0,0,0,0|1,0,0]=2 1888 B16R2.132 Cc1ccc(cc1)CNc2ccccc2 270302a_100000106764_100000211033 [0,1,0,0,0,0|1,0,0]=2 1889 B16R2.132 Cc1ccc(cc1)CNc2ccccc2 34a_100000106764_100000210814 [0,1,0,0,0,0|1,0,0]=2 1890 B16R2.132 Cc1ccc(cc1)CNc2cccnn2 27a_100000174908_100016991348 [0,1,0,0,0,0|3,0,0]=4 1891 B16R2.132 Cc1ccc(cc1)CNc2ccncn2 27a_100000174908_100000703185 [0,1,0,0,0,0|3,0,0]=4 1892 B16R2.132 Cc1ccc(cc1)CNc2cnccn2 27a_100000174908_100000211759 [0,1,0,0,0,0|3,0,0]=4 1893 B16R2.132 Cc1ccc(cc1)CNc2ncccn2 27a_100000174908_100000211032 [0,1,0,0,0,0|3,0,0]=4 1894 B16R2.132 Cc1ccc(cc1)COc2ccccc2 34a_100000210340_100000210814 [0,1,0,0,0,0|2,0,0]=3 1895 B16R2.132 Cc1ccc(cc1)COc2ccccc2 7a_100000210340_100000210814 [0,1,0,0,0,0|2,0,0]=3 1896 B16R2.132 Cc1ccc(cc1)COc2cccnc2 34a_100000210849_100000210814 [0,1,0,0,0,0|2,0,0]=3 1897 B16R2.132 Cc1ccc(cc1)COc2cccnc2 7a_100000210849_100000210814 [0,1,0,0,0,0|2,0,0]=3 1898 B16R2.132 Cc1ccc(cc1)COc2ccncc2 34a_100000212176_100000210814 [0,1,0,0,0,0|3,0,0]=4 1899 B16R2.132 Cc1ccc(cc1)COc2ccnnc2 34a_100015204005_100000210814 [0,1,0,0,0,0|3,0,0]=4 1900 B16R2.132 Cc1ccc(cc1)COc2cncnc2 7a_100000754086_100000210814 [0,1,0,0,0,0|3,0,0]=4 1901 B16R2.132 Cc1ccc(cc1)CSc2ccccc2 62a_100000210814_100000041952 [0,1,0,0,0,0|2,0,0]=3 1902 B16R2.132 Cc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000210814 [0,1,0,0,0,0|2,0,0]=3 1903 B16R2.132 Cc1ccc(cc1)CSc2ccccn2 62a_100000210814_100011216584 [0,1,0,0,0,0|3,0,0]=4 1904 B16R2.132 Cc1ccc(cc1)CSc2ccccn2 62a_100011216584_100000210814 [0,1,0,0,0,0|3,0,0]=4 1905 B16R2.132 Cc1ccc(cc1)CSc2cccnc2 62a_100000210063_100000210814 [0,1,0,0,0,0|2,0,0]=3 1906 B16R2.132 Cc1ccc(cc1)CSc2cccnc2 62a_100000210814_100000210063 [0,1,0,0,0,0|2,0,0]=3 1907 B16R2.132 Cc1ccc(cc1)CSc2cccnn2 62a_100000210814_100016991348 [0,1,0,0,0,0|3,0,0]=4 1908 B16R2.132 Cc1ccc(cc1)CSc2cccnn2 62a_100016991348_100000210814 [0,1,0,0,0,0|3,0,0]=4 1909 B16R2.132 Cc1ccc(cc1)CSc2ccncc2 62a_100000210814_100000728582 [0,1,0,0,0,0|3,0,0]=4 1910 B16R2.132 Cc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000210814 [0,1,0,0,0,0|3,0,0]=4 1911 B16R2.132 Cc1ccc(cc1)CSc2ccnnc2 62a_100000210814_100000732662 [0,1,0,0,0,0|3,0,0]=4 1912 B16R2.132 Cc1ccc(cc1)CSc2ccnnc2 62a_100000732662_100000210814 [0,1,0,0,0,0|3,0,0]=4 1913 B16R2.132 Cc1ccc(cc1)CSc2cnccn2 62a_100000210814_100000211759 [0,1,0,0,0,0|3,0,0]=4 1914 B16R2.132 Cc1ccc(cc1)CSc2cnccn2 62a_100000211759_100000210814 [0,1,0,0,0,0|3,0,0]=4 1915 B16R2.132 Cc1ccc(cc1)CSc2cncnc2 62a_100000210814_100011206942 [0,1,0,0,0,0|3,0,0]=4 1916 B16R2.132 Cc1ccc(cc1)CSc2cncnc2 62a_100011206942_100000210814 [0,1,0,0,0,0|3,0,0]=4 1917 B16R2.132 Cc1ccc(cc1)NCc2ccccc2 207a_100000124888_100015611070 [0,1,0,0,0,0|1,0,0]=2 1918 B16R2.132 Cc1ccc(cc1)NCc2ccccc2 270302a_100000124888_100015611070 [0,1,0,0,0,0|1,0,0]=2 1919 B16R2.132 Cc1ccc(cc1)NCc2ccccc2 34a_100000124888_100015291786 [0,1,0,0,0,0|1,0,0]=2 1920 B16R2.132 Cc1ccc(cc1)NCc2ccccn2 207a_100000124888_100000209966 [0,1,0,0,0,0|2,0,0]=3 1921 B16R2.132 Cc1ccc(cc1)NCc2ccccn2 270302a_100000124888_100000209966 [0,1,0,0,0,0|2,0,0]=3 1922 B16R2.132 Cc1ccc(cc1)NCc2ccccn2 34a_100000124888_100000721315 [0,1,0,0,0,0|2,0,0]=3 1923 B16R2.132 Cc1ccc(cc1)NCc2cccnc2 207a_100000124888_100000209961 [0,1,0,0,0,0|0,0,0]=1 1924 B16R2.132 Cc1ccc(cc1)NCc2cccnc2 270302a_100000124888_100000209961 [0,1,0,0,0,0|0,0,0]=1 1925 B16R2.132 Cc1ccc(cc1)NCc2cccnc2 34a_100000124888_100000733263 [0,1,0,0,0,0|0,0,0]=1 1926 B16R2.132 Cc1ccc(cc1)NCc2cccnn2 34a_100000124888_100016990269 [0,1,0,0,0,0|1,0,0]=2 1927 B16R2.132 Cc1ccc(cc1)NCc2ccncc2 207a_100000124888_100000186114 [0,1,0,0,0,0|2,0,0]=3 1928 B16R2.132 Cc1ccc(cc1)NCc2ccnnc2 270302a_100000124888_100011934578 [0,1,0,0,0,0|1,0,0]=2 1929 B16R2.132 Cc1ccc(cc1)NCc2cnccn2 34a_100000124888_100016995436 [0,1,0,0,0,0|1,0,0]=2 1930 B16R2.132 Cc1ccc(cc1)NCc2cncnc2 270302a_100000124888_100000749868 [0,1,0,0,0,0|1,0,0]=2 1931 B16R2.132 Cc1ccc(cc1)NCc2cncnc2 34a_100000124888_100015196519 [0,1,0,0,0,0|1,0,0]=2 1932 B16R2.132 Cc1ccc(cc1)NCc2ncccn2 34a_100000124888_100000703007 [0,1,0,0,0,0|3,0,0]=4 1933 B16R2.132 Cc1ccc(cc1)OCc2ccccc2 34a_100000210336_100015291786 [0,1,0,0,0,0|2,0,0]=3 1934 B16R2.132 Cc1ccc(cc1)OCc2ccccc2 7a_100000210336_100000211182 [0,1,0,0,0,0|2,0,0]=3 1935 B16R2.132 Cc1ccc(cc1)OCc2ccccn2 34a_100000210336_100000721315 [0,1,0,0,0,0|3,0,0]=4 1936 B16R2.132 Cc1ccc(cc1)OCc2ccccn2 7a_100000210336_100000721315 [0,1,0,0,0,0|3,0,0]=4 1937 B16R2.132 Cc1ccc(cc1)OCc2cccnc2 34a_100000210336_100000733263 [0,1,0,0,0,0|1,0,0]=2 1938 B16R2.132 Cc1ccc(cc1)OCc2cccnc2 7a_100000210336_100000741622 [0,1,0,0,0,0|1,0,0]=2 1939 B16R2.132 Cc1ccc(cc1)OCc2cccnn2 34a_100000210336_100016990269 [0,1,0,0,0,0|2,0,0]=3 1940 B16R2.132 Cc1ccc(cc1)OCc2cccnn2 7a_100000210336_100016990269 [0,1,0,0,0,0|2,0,0]=3 1941 B16R2.132 Cc1ccc(cc1)OCc2ccncc2 7a_100000210336_100015193705 [0,1,0,0,0,0|3,0,0]=4 1942 B16R2.132 Cc1ccc(cc1)OCc2cnccn2 34a_100000210336_100016995436 [0,1,0,0,0,0|2,0,0]=3 1943 B16R2.132 Cc1ccc(cc1)OCc2cnccn2 7a_100000210336_100016995436 [0,1,0,0,0,0|2,0,0]=3 1944 B16R2.132 Cc1ccc(cc1)OCc2cncnc2 34a_100000210336_100015196519 [0,1,0,0,0,0|2,0,0]=3 1945 B16R2.132 Cc1ccc(cc1)OCc2cncnc2 7a_100000210336_100015196519 [0,1,0,0,0,0|2,0,0]=3 1946 B16R2.132 Cc1ccc(cc1)SCc2ccccc2 62a_100000186775_100015291786 [0,1,0,0,0,0|2,0,0]=3 1947 B16R2.132 Cc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000186775 [0,1,0,0,0,0|2,0,0]=3 1948 B16R2.132 Cc1ccc(cc1)SCc2ccccn2 62a_100000186775_100000721315 [0,1,0,0,0,0|3,0,0]=4 1949 B16R2.132 Cc1ccc(cc1)SCc2ccccn2 62a_100000721315_100000186775 [0,1,0,0,0,0|3,0,0]=4 1950 B16R2.132 Cc1ccc(cc1)SCc2cccnc2 62a_100000186775_100000741622 [0,1,0,0,0,0|1,0,0]=2 1951 B16R2.132 Cc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000186775 [0,1,0,0,0,0|1,0,0]=2 1952 B16R2.132 Cc1ccc(cc1)SCc2cccnn2 62a_100000186775_100016990269 [0,1,0,0,0,0|2,0,0]=3 1953 B16R2.132 Cc1ccc(cc1)SCc2cccnn2 62a_100016990269_100000186775 [0,1,0,0,0,0|2,0,0]=3 1954 B16R2.132 Cc1ccc(cc1)SCc2ccncc2 62a_100000186775_100015193705 [0,1,0,0,0,0|3,0,0]=4 1955 B16R2.132 Cc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000186775 [0,1,0,0,0,0|3,0,0]=4 1956 B16R2.132 Cc1ccc(cc1)SCc2cnccn2 62a_100000186775_100016995436 [0,1,0,0,0,0|2,0,0]=3 1957 B16R2.132 Cc1ccc(cc1)SCc2cnccn2 62a_100016995436_100000186775 [0,1,0,0,0,0|2,0,0]=3 1958 B16R2.132 Cc1ccc(cc1)SCc2cncnc2 62a_100000186775_100015196519 [0,1,0,0,0,0|2,0,0]=3 1959 B16R2.132 Cc1ccc(cc1)SCc2cncnc2 62a_100015196519_100000186775 [0,1,0,0,0,0|2,0,0]=3 1960 B16R2.132 Cc1ccc(cn1)C#Cc2ccccc2 271570a_100000069678_100000751577 [0,1,0,0,0,0|1,0,1]=3 1961 B16R2.132 Cc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100000751577 [0,1,0,0,0,0|1,0,1]=3 1962 B16R2.132 Cc1ccc(cn1)C=Cc2cccnc2 271570a_100102525586_100000751577 [0,1,0,0,0,0|2,0,1]=4 1963 B16R2.132 Cc1ccc(cn1)CNc2ccccc2 270302a_100000106764_100000743784 [0,1,0,0,0,0|0,0,0]=1 1964 B16R2.132 Cc1ccc(cn1)CNc2ccccc2 34a_100000106764_100016987292 [0,1,0,0,0,0|0,0,0]=1 1965 B16R2.132 Cc1ccc(cn1)CNc2cccnn2 27a_100000740942_100016991348 [0,1,0,0,0,0|2,0,0]=3 1966 B16R2.132 Cc1ccc(cn1)CNc2ccncn2 27a_100000740942_100000703185 [0,1,0,0,0,0|2,0,0]=3 1967 B16R2.132 Cc1ccc(cn1)CNc2cnccn2 27a_100000740942_100000211759 [0,1,0,0,0,0|2,0,0]=3 1968 B16R2.132 Cc1ccc(cn1)CNc2ncccn2 27a_100000740942_100000211032 [0,1,0,0,0,0|2,0,0]=3 1969 B16R2.132 Cc1ccc(cn1)COc2ccccc2 34a_100000210340_100016987292 [0,1,0,0,0,0|1,0,0]=2 1970 B16R2.132 Cc1ccc(cn1)COc2ccccc2 7a_100000210340_100016987292 [0,1,0,0,0,0|1,0,0]=2 1971 B16R2.132 Cc1ccc(cn1)COc2cccnc2 34a_100000210849_100016987292 [0,1,0,0,0,0|2,0,0]=3 1972 B16R2.132 Cc1ccc(cn1)COc2cccnc2 7a_100000210849_100016987292 [0,1,0,0,0,0|2,0,0]=3 1973 B16R2.132 Cc1ccc(cn1)COc2ccncc2 34a_100000212176_100016987292 [0,1,0,0,0,0|2,0,0]=3 1974 B16R2.132 Cc1ccc(cn1)COc2ccnnc2 34a_100015204005_100016987292 [0,1,0,0,0,0|3,0,0]=4 1975 B16R2.132 Cc1ccc(cn1)COc2cncnc2 7a_100000754086_100016987292 [0,1,0,0,0,0|3,0,0]=4 1976 B16R2.132 Cc1ccc(cn1)CSc2ccccc2 62a_100000719477_100016987292 [0,1,0,0,0,0|1,0,0]=2 1977 B16R2.132 Cc1ccc(cn1)CSc2ccccc2 62a_100016987292_100000041952 [0,1,0,0,0,0|1,0,0]=2 1978 B16R2.132 Cc1ccc(cn1)CSc2ccccn2 62a_100011216584_100016987292 [0,1,0,0,0,0|2,0,0]=3 1979 B16R2.132 Cc1ccc(cn1)CSc2ccccn2 62a_100016987292_100011216584 [0,1,0,0,0,0|2,0,0]=3 1980 B16R2.132 Cc1ccc(cn1)CSc2cccnc2 62a_100000210063_100016987292 [0,1,0,0,0,0|2,0,0]=3 1981 B16R2.132 Cc1ccc(cn1)CSc2cccnc2 62a_100016987292_100000210063 [0,1,0,0,0,0|2,0,0]=3 1982 B16R2.132 Cc1ccc(cn1)CSc2cccnn2 62a_100016987292_100016991348 [0,1,0,0,0,0|3,0,0]=4 1983 B16R2.132 Cc1ccc(cn1)CSc2cccnn2 62a_100016991348_100016987292 [0,1,0,0,0,0|3,0,0]=4 1984 B16R2.132 Cc1ccc(cn1)CSc2ccncc2 62a_100000728582_100016987292 [0,1,0,0,0,0|2,0,0]=3 1985 B16R2.132 Cc1ccc(cn1)CSc2ccncc2 62a_100016987292_100000728582 [0,1,0,0,0,0|2,0,0]=3 1986 B16R2.132 Cc1ccc(cn1)CSc2ccncn2 62a_100000703185_100016987292 [0,1,0,0,0,0|3,0,0]=4 1987 B16R2.132 Cc1ccc(cn1)CSc2ccncn2 62a_100016987292_100000703185 [0,1,0,0,0,0|3,0,0]=4 1988 B16R2.132 Cc1ccc(cn1)CSc2ccnnc2 62a_100000732662_100016987292 [0,1,0,0,0,0|3,0,0]=4 1989 B16R2.132 Cc1ccc(cn1)CSc2ccnnc2 62a_100016987292_100000732662 [0,1,0,0,0,0|3,0,0]=4 1990 B16R2.132 Cc1ccc(cn1)CSc2cnccn2 62a_100000211759_100016987292 [0,1,0,0,0,0|3,0,0]=4 1991 B16R2.132 Cc1ccc(cn1)CSc2cnccn2 62a_100016987292_100000211759 [0,1,0,0,0,0|3,0,0]=4 1992 B16R2.132 Cc1ccc(cn1)CSc2cncnc2 62a_100011206942_100016987292 [0,1,0,0,0,0|3,0,0]=4 1993 B16R2.132 Cc1ccc(cn1)CSc2cncnc2 62a_100016987292_100011206942 [0,1,0,0,0,0|3,0,0]=4 1994 B16R2.132 Cc1ccc(cn1)CSc2ncccn2 62a_100000211032_100016987292 [0,1,0,0,0,0|3,0,0]=4 1995 B16R2.132 Cc1ccc(cn1)CSc2ncccn2 62a_100016987292_100000211032 [0,1,0,0,0,0|3,0,0]=4 1996 B16R2.132 Cc1ccc(cn1)OCc2ccccc2 34a_100000745506_100015291786 [0,1,0,0,0,0|2,0,0]=3 1997 B16R2.132 Cc1ccc(cn1)OCc2ccccc2 7a_100000745506_100000211182 [0,1,0,0,0,0|2,0,0]=3 1998 B16R2.132 Cc1ccc(cn1)OCc2ccccn2 34a_100000745506_100000721315 [0,1,0,0,0,0|3,0,0]=4 1999 B16R2.132 Cc1ccc(cn1)OCc2ccccn2 7a_100000745506_100000721315 [0,1,0,0,0,0|3,0,0]=4 2000 B16R2.132 Cc1ccc(cn1)OCc2cccnc2 34a_100000745506_100000733263 [0,1,0,0,0,0|2,0,0]=3 2001 B16R2.132 Cc1ccc(cn1)OCc2cccnc2 7a_100000745506_100000741622 [0,1,0,0,0,0|2,0,0]=3 2002 B16R2.132 Cc1ccc(cn1)OCc2cccnn2 34a_100000745506_100016990269 [0,1,0,0,0,0|3,0,0]=4 2003 B16R2.132 Cc1ccc(cn1)OCc2cccnn2 7a_100000745506_100016990269 [0,1,0,0,0,0|3,0,0]=4 2004 B16R2.132 Cc1ccc(cn1)OCc2ccncc2 7a_100000745506_100015193705 [0,1,0,0,0,0|3,0,0]=4 2005 B16R2.132 Cc1ccc(cn1)OCc2cnccn2 34a_100000745506_100016995436 [0,1,0,0,0,0|3,0,0]=4 2006 B16R2.132 Cc1ccc(cn1)OCc2cnccn2 7a_100000745506_100016995436 [0,1,0,0,0,0|3,0,0]=4 2007 B16R2.132 Cc1ccc(cn1)OCc2cncnc2 34a_100000745506_100015196519 [0,1,0,0,0,0|3,0,0]=4 2008 B16R2.132 Cc1ccc(cn1)OCc2cncnc2 7a_100000745506_100015196519 [0,1,0,0,0,0|3,0,0]=4 2009 B16R2.132 Cc1ccc(cn1)SCc2ccccc2 62a_100000211182_100000751577 [0,1,0,0,0,0|2,0,0]=3 2010 B16R2.132 Cc1ccc(cn1)SCc2ccccc2 62a_100000751577_100015291786 [0,1,0,0,0,0|2,0,0]=3 2011 B16R2.132 Cc1ccc(cn1)SCc2ccccn2 62a_100000721315_100000751577 [0,1,0,0,0,0|3,0,0]=4 2012 B16R2.132 Cc1ccc(cn1)SCc2ccccn2 62a_100000751577_100000721315 [0,1,0,0,0,0|3,0,0]=4 2013 B16R2.132 Cc1ccc(cn1)SCc2cccnc2 62a_100000741622_100000751577 [0,1,0,0,0,0|2,0,0]=3 2014 B16R2.132 Cc1ccc(cn1)SCc2cccnc2 62a_100000751577_100000741622 [0,1,0,0,0,0|2,0,0]=3 2015 B16R2.132 Cc1ccc(cn1)SCc2cccnn2 62a_100000751577_100016990269 [0,1,0,0,0,0|3,0,0]=4 2016 B16R2.132 Cc1ccc(cn1)SCc2cccnn2 62a_100016990269_100000751577 [0,1,0,0,0,0|3,0,0]=4 2017 B16R2.132 Cc1ccc(cn1)SCc2ccncc2 62a_100000751577_100015193705 [0,1,0,0,0,0|3,0,0]=4 2018 B16R2.132 Cc1ccc(cn1)SCc2ccncc2 62a_100015193705_100000751577 [0,1,0,0,0,0|3,0,0]=4 2019 B16R2.132 Cc1ccc(cn1)SCc2cnccn2 62a_100000751577_100016995436 [0,1,0,0,0,0|3,0,0]=4 2020 B16R2.132 Cc1ccc(cn1)SCc2cnccn2 62a_100016995436_100000751577 [0,1,0,0,0,0|3,0,0]=4 2021 B16R2.132 Cc1ccc(cn1)SCc2cncnc2 62a_100000751577_100015196519 [0,1,0,0,0,0|3,0,0]=4 2022 B16R2.132 Cc1ccc(cn1)SCc2cncnc2 62a_100015196519_100000751577 [0,1,0,0,0,0|3,0,0]=4 2023 B16R2.132 Cc1ccc(nc1)C=Cc2cccnc2 271570a_100102525586_100000754016 [0,1,0,0,0,0|2,0,1]=4 2024 B16R2.132 Cc1ccc(nc1)CNc2ccccc2 207a_100000106764_100000050478 [0,1,0,0,0,0|2,0,0]=3 2025 B16R2.132 Cc1ccc(nc1)CNc2ccccc2 34a_100000106764_100000691093 [0,1,0,0,0,0|2,0,0]=3 2026 B16R2.132 Cc1ccc(nc1)COc2ccccc2 34a_100000210340_100000691093 [0,1,0,0,0,0|3,0,0]=4 2027 B16R2.132 Cc1ccc(nc1)COc2ccccc2 7a_100000210340_100000691093 [0,1,0,0,0,0|3,0,0]=4 2028 B16R2.132 Cc1ccc(nc1)COc2cccnc2 34a_100000210849_100000691093 [0,1,0,0,0,0|3,0,0]=4 2029 B16R2.132 Cc1ccc(nc1)COc2cccnc2 7a_100000210849_100000691093 [0,1,0,0,0,0|3,0,0]=4 2030 B16R2.132 Cc1ccc(nc1)CSc2ccccc2 62a_100000691093_100000041952 [0,1,0,0,0,0|3,0,0]=4 2031 B16R2.132 Cc1ccc(nc1)CSc2ccccc2 62a_100000719477_100000691093 [0,1,0,0,0,0|3,0,0]=4 2032 B16R2.132 Cc1ccc(nc1)CSc2cccnc2 62a_100000210063_100000691093 [0,1,0,0,0,0|3,0,0]=4 2033 B16R2.132 Cc1ccc(nc1)CSc2cccnc2 62a_100000691093_100000210063 [0,1,0,0,0,0|3,0,0]=4 2034 B16R2.132 Cc1ccc(nc1)OCc2ccccc2 34a_100000759353_100015291786 [0,1,0,0,0,0|3,0,0]=4 2035 B16R2.132 Cc1ccc(nc1)OCc2cccnc2 34a_100000759353_100000733263 [0,1,0,0,0,0|2,0,0]=3 2036 B16R2.132 Cc1ccc(nc1)OCc2cccnn2 34a_100000759353_100016990269 [0,1,0,0,0,0|3,0,0]=4 2037 B16R2.132 Cc1ccc(nc1)OCc2cnccn2 34a_100000759353_100016995436 [0,1,0,0,0,0|3,0,0]=4 2038 B16R2.132 Cc1ccc(nc1)OCc2cncnc2 34a_100000759353_100015196519 [0,1,0,0,0,0|3,0,0]=4 2039 B16R2.132 Cc1ccc(nc1)SCc2ccccc2 62a_100000211182_100000754016 [0,1,0,0,0,0|3,0,0]=4 2040 B16R2.132 Cc1ccc(nc1)SCc2ccccc2 62a_100011192072_100015291786 [0,1,0,0,0,0|3,0,0]=4 2041 B16R2.132 Cc1ccc(nc1)SCc2cccnc2 62a_100000741622_100000754016 [0,1,0,0,0,0|2,0,0]=3 2042 B16R2.132 Cc1ccc(nc1)SCc2cccnc2 62a_100011192072_100000741622 [0,1,0,0,0,0|2,0,0]=3 2043 B16R2.132 Cc1ccc(nc1)SCc2cccnn2 62a_100011192072_100016990269 [0,1,0,0,0,0|3,0,0]=4 2044 B16R2.132 Cc1ccc(nc1)SCc2cccnn2 62a_100016990269_100000754016 [0,1,0,0,0,0|3,0,0]=4 2045 B16R2.132 Cc1ccc(nc1)SCc2cnccn2 62a_100011192072_100016995436 [0,1,0,0,0,0|3,0,0]=4 2046 B16R2.132 Cc1ccc(nc1)SCc2cnccn2 62a_100016995436_100000754016 [0,1,0,0,0,0|3,0,0]=4 2047 B16R2.132 Cc1ccc(nc1)SCc2cncnc2 62a_100011192072_100015196519 [0,1,0,0,0,0|3,0,0]=4 2048 B16R2.132 Cc1ccc(nc1)SCc2cncnc2 62a_100015196519_100000754016 [0,1,0,0,0,0|3,0,0]=4 2049 B16R2.132 Cc1ccc(nn1)C#Cc2ccccc2 271570a_100000069678_100011450037 [0,1,0,0,0,0|2,0,1]=4 2050 B16R2.132 Cc1ccc(nn1)C=Cc2ccccc2 271570a_100102527694_100011450037 [0,1,0,0,0,0|2,0,1]=4 2051 B16R2.132 Cc1ccc(nn1)NCc2ccccc2 27a_100015324214_100000744512 [0,1,0,0,0,0|3,0,0]=4 2052 B16R2.132 Cc1ccc(nn1)NCc2cccnc2 27a_100000210453_100000744512 [0,1,0,0,0,0|2,0,0]=3 2053 B16R2.132 Cc1ccc(nn1)NCc2cccnn2 27a_100159270163_100000744512 [0,1,0,0,0,0|3,0,0]=4 2054 B16R2.132 Cc1ccc(nn1)NCc2cnccn2 27a_100000737960_100000744512 [0,1,0,0,0,0|3,0,0]=4 2055 B16R2.132 Cc1ccc(nn1)NCc2cncnc2 27a_100011243677_100000744512 [0,1,0,0,0,0|3,0,0]=4 2056 B16R2.132 Cc1ccc(nn1)SCc2ccccc2 62a_100000211182_100000744512 [0,1,0,0,0,0|3,0,0]=4 2057 B16R2.132 Cc1ccc(nn1)SCc2ccccc2 62a_100000744512_100015291786 [0,1,0,0,0,0|3,0,0]=4 2058 B16R2.132 Cc1ccc(nn1)SCc2cccnc2 62a_100000741622_100000744512 [0,1,0,0,0,0|3,0,0]=4 2059 B16R2.132 Cc1ccc(nn1)SCc2cccnc2 62a_100000744512_100000741622 [0,1,0,0,0,0|3,0,0]=4 2060 B16R2.132 Cc1cnc(cn1)C#Cc2ccccc2 271570a_100000069678_100011999403 [0,1,0,0,0,0|2,0,1]=4 2061 B16R2.132 Cc1cnc(cn1)C=Cc2ccccc2 271570a_100102527694_100011999403 [0,1,0,0,0,0|2,0,1]=4 2062 B16R2.132 Cc1cnc(cn1)CNc2cccnn2 27a_100132314150_100016991348 [0,1,0,0,0,0|3,0,0]=4 2063 B16R2.132 Cc1cnc(cn1)CNc2ccncn2 27a_100132314150_100000703185 [0,1,0,0,0,0|3,0,0]=4 2064 B16R2.132 Cc1cnc(cn1)CNc2cnccn2 27a_100132314150_100000211759 [0,1,0,0,0,0|3,0,0]=4 2065 B16R2.132 Cc1cnc(cn1)CNc2ncccn2 27a_100132314150_100000211032 [0,1,0,0,0,0|3,0,0]=4 2066 B16R2.132 Cc1cnc(cn1)COc2ccccc2 7a_100000210340_100000752025 [0,1,0,0,0,0|2,0,0]=3 2067 B16R2.132 Cc1cnc(cn1)COc2cccnc2 7a_100000210849_100000752025 [0,1,0,0,0,0|3,0,0]=4 2068 B16R2.132 Cc1cnc(cn1)CSc2ccccc2 62a_100000719477_100000752025 [0,1,0,0,0,0|2,0,0]=3 2069 B16R2.132 Cc1cnc(cn1)CSc2ccccc2 62a_100000752025_100000041952 [0,1,0,0,0,0|2,0,0]=3 2070 B16R2.132 Cc1cnc(cn1)CSc2ccccn2 62a_100000752025_100011216584 [0,1,0,0,0,0|3,0,0]=4 2071 B16R2.132 Cc1cnc(cn1)CSc2ccccn2 62a_100011216584_100000752025 [0,1,0,0,0,0|3,0,0]=4 2072 B16R2.132 Cc1cnc(cn1)CSc2cccnc2 62a_100000210063_100000752025 [0,1,0,0,0,0|3,0,0]=4 2073 B16R2.132 Cc1cnc(cn1)CSc2cccnc2 62a_100000752025_100000210063 [0,1,0,0,0,0|3,0,0]=4 2074 B16R2.132 Cc1cnc(cn1)CSc2ccncc2 62a_100000728582_100000752025 [0,1,0,0,0,0|3,0,0]=4 2075 B16R2.132 Cc1cnc(cn1)CSc2ccncc2 62a_100000752025_100000728582 [0,1,0,0,0,0|3,0,0]=4 2076 B16R2.132 Cc1cnc(cn1)NCc2ccccc2 27a_100015324214_100000074397 [0,1,0,0,0,0|3,0,0]=4 2077 B16R2.132 Cc1cnc(cn1)NCc2cccnc2 27a_100000210453_100000074397 [0,1,0,0,0,0|2,0,0]=3 2078 B16R2.132 Cc1cnc(cn1)NCc2cccnn2 27a_100159270163_100000074397 [0,1,0,0,0,0|3,0,0]=4 2079 B16R2.132 Cc1cnc(cn1)NCc2cnccn2 27a_100000737960_100000074397 [0,1,0,0,0,0|3,0,0]=4 2080 B16R2.132 Cc1cnc(cn1)NCc2cncnc2 27a_100011243677_100000074397 [0,1,0,0,0,0|3,0,0]=4 2081 B16R2.132 Cc1cnc(cn1)SCc2ccccc2 62a_100000211182_100011999403 [0,1,0,0,0,0|3,0,0]=4 2082 B16R2.132 Cc1cnc(cn1)SCc2ccccc2 62a_100011999403_100015291786 [0,1,0,0,0,0|3,0,0]=4 2083 B16R2.132 Cc1cnc(cn1)SCc2cccnc2 62a_100000741622_100011999403 [0,1,0,0,0,0|3,0,0]=4 2084 B16R2.132 Cc1cnc(cn1)SCc2cccnc2 62a_100011999403_100000741622 [0,1,0,0,0,0|3,0,0]=4 2085 B16R2.132 Cc1cnc(nc1)CNc2ccccc2 34a_100000106764_100000685645 [0,1,0,0,0,0|3,0,0]=4 2086 B16R2.132 Cc1cnc(nc1)NCc2ccccc2 27a_100015324214_100000061069 [0,1,0,0,0,0|3,0,0]=4 2087 B16R2.132 Cc1cnc(nc1)NCc2cccnc2 27a_100000210453_100000061069 [0,1,0,0,0,0|2,0,0]=3 2088 B16R2.132 Cc1cnc(nc1)NCc2cccnn2 27a_100159270163_100000061069 [0,1,0,0,0,0|3,0,0]=4 2089 B16R2.132 Cc1cnc(nc1)NCc2cnccn2 27a_100000737960_100000061069 [0,1,0,0,0,0|3,0,0]=4 2090 B16R2.132 Cc1cnc(nc1)NCc2cncnc2 27a_100011243677_100000061069 [0,1,0,0,0,0|3,0,0]=4 2091 B16R2.132 Cc1cnc(nc1)SCc2cccnc2 62a_100000061069_100000741622 [0,1,0,0,0,0|3,0,0]=4 2092 B16R2.132 Cc1cnc(nc1)SCc2cccnc2 62a_100000741622_100000061069 [0,1,0,0,0,0|3,0,0]=4 2093 B16R2.132 Cc1ncc(cn1)C#Cc2ccccc2 271570a_100000069678_100000686985 [0,1,0,0,0,0|2,0,1]=4 2094 B16R2.132 Cc1ncc(cn1)C=Cc2ccccc2 271570a_100102527694_100000686985 [0,1,0,0,0,0|2,0,1]=4 2095 B16R2.132 Cc1ncc(cn1)OCc2ccccc2 34a_100000062939_100015291786 [0,1,0,0,0,0|3,0,0]=4 2096 B16R2.132 Cc1ncc(cn1)OCc2ccccc2 7a_100000062939_100000211182 [0,1,0,0,0,0|3,0,0]=4 2097 B16R2.132 Cc1ncc(cn1)OCc2cccnc2 34a_100000062939_100000733263 [0,1,0,0,0,0|3,0,0]=4 2098 B16R2.132 Cc1ncc(cn1)OCc2cccnc2 7a_100000062939_100000741622 [0,1,0,0,0,0|3,0,0]=4 2099 B16R2.132 Cc1ncc(cn1)SCc2ccccc2 62a_100000211182_100000686985 [0,1,0,0,0,0|3,0,0]=4 2100 B16R2.132 Cc1ncc(cn1)SCc2ccccc2 62a_100000686985_100015291786 [0,1,0,0,0,0|3,0,0]=4 2101 B16R2.132 Cc1ncc(cn1)SCc2cccnc2 62a_100000686985_100000741622 [0,1,0,0,0,0|3,0,0]=4 2102 B16R2.132 Cc1ncc(cn1)SCc2cccnc2 62a_100000741622_100000686985 [0,1,0,0,0,0|3,0,0]=4 2103 B16R2.132 Clc1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100000755918 [0,1,0,0,0,0|2,0,1]=4 2104 B16R2.132 Clc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000755918 [0,1,0,0,0,0|2,0,1]=4 2105 B16R2.132 Clc1ccc(cc1)C=Cc2ccccc2 271570a_100102527930_100000210277 [0,1,0,0,0,0|2,0,1]=4 2106 B16R2.132 Clc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000755918 [0,1,0,0,0,0|1,0,1]=3 2107 B16R2.132 Clc1ccc(cc1)C=Cc2cccnc2 271570a_100102527930_100000752921 [0,1,0,0,0,0|1,0,1]=3 2108 B16R2.132 Clc1ccc(cc1)C=Cc2cccnn2 271570a_100102527930_100016991348 [0,1,0,0,0,0|2,0,1]=4 2109 B16R2.132 Clc1ccc(cc1)C=Cc2ccnnc2 271570a_100102527930_100000732662 [0,1,0,0,0,0|2,0,1]=4 2110 B16R2.132 Clc1ccc(cc1)C=Cc2cnccn2 271570a_100102527930_100000758340 [0,1,0,0,0,0|2,0,1]=4 2111 B16R2.132 Clc1ccc(cc1)C=Cc2cncnc2 271570a_100102527930_100011206942 [0,1,0,0,0,0|2,0,1]=4 2112 B16R2.132 Clc1ccc(cc1)CNc2ccccc2 207a_100000106764_100000189385 [0,1,0,0,0,0|1,0,0]=2 2113 B16R2.132 Clc1ccc(cc1)CNc2ccccc2 270302a_100000106764_100000189385 [0,1,0,0,0,0|1,0,0]=2 2114 B16R2.132 Clc1ccc(cc1)CNc2ccccc2 34a_100000106764_100000694040 [0,1,0,0,0,0|1,0,0]=2 2115 B16R2.132 Clc1ccc(cc1)CNc2cccnn2 27a_100000174871_100016991348 [0,1,0,0,0,0|3,0,0]=4 2116 B16R2.132 Clc1ccc(cc1)CNc2ccncn2 27a_100000174871_100000703185 [0,1,0,0,0,0|3,0,0]=4 2117 B16R2.132 Clc1ccc(cc1)CNc2cnccn2 27a_100000174871_100000211759 [0,1,0,0,0,0|3,0,0]=4 2118 B16R2.132 Clc1ccc(cc1)CNc2ncccn2 27a_100000174871_100000211032 [0,1,0,0,0,0|3,0,0]=4 2119 B16R2.132 Clc1ccc(cc1)COc2ccccc2 34a_100000210340_100000694040 [0,1,0,0,0,0|2,0,0]=3 2120 B16R2.132 Clc1ccc(cc1)COc2ccccc2 7a_100000210340_100000187161 [0,1,0,0,0,0|2,0,0]=3 2121 B16R2.132 Clc1ccc(cc1)COc2cccnc2 34a_100000210849_100000694040 [0,1,0,0,0,0|2,0,0]=3 2122 B16R2.132 Clc1ccc(cc1)COc2cccnc2 7a_100000210849_100000187161 [0,1,0,0,0,0|2,0,0]=3 2123 B16R2.132 Clc1ccc(cc1)COc2ccncc2 34a_100000212176_100000694040 [0,1,0,0,0,0|3,0,0]=4 2124 B16R2.132 Clc1ccc(cc1)COc2ccnnc2 34a_100015204005_100000694040 [0,1,0,0,0,0|3,0,0]=4 2125 B16R2.132 Clc1ccc(cc1)COc2cncnc2 7a_100000754086_100000187161 [0,1,0,0,0,0|3,0,0]=4 2126 B16R2.132 Clc1ccc(cc1)CSc2ccccc2 62a_100000187161_100000041952 [0,1,0,0,0,0|2,0,0]=3 2127 B16R2.132 Clc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000187161 [0,1,0,0,0,0|2,0,0]=3 2128 B16R2.132 Clc1ccc(cc1)CSc2ccccn2 62a_100000187161_100011216584 [0,1,0,0,0,0|3,0,0]=4 2129 B16R2.132 Clc1ccc(cc1)CSc2ccccn2 62a_100011216584_100000187161 [0,1,0,0,0,0|3,0,0]=4 2130 B16R2.132 Clc1ccc(cc1)CSc2cccnc2 62a_100000187161_100000210063 [0,1,0,0,0,0|2,0,0]=3 2131 B16R2.132 Clc1ccc(cc1)CSc2cccnc2 62a_100000210063_100000187161 [0,1,0,0,0,0|2,0,0]=3 2132 B16R2.132 Clc1ccc(cc1)CSc2cccnn2 62a_100000187161_100016991348 [0,1,0,0,0,0|3,0,0]=4 2133 B16R2.132 Clc1ccc(cc1)CSc2cccnn2 62a_100016991348_100000187161 [0,1,0,0,0,0|3,0,0]=4 2134 B16R2.132 Clc1ccc(cc1)CSc2ccncc2 62a_100000187161_100000728582 [0,1,0,0,0,0|3,0,0]=4 2135 B16R2.132 Clc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000187161 [0,1,0,0,0,0|3,0,0]=4 2136 B16R2.132 Clc1ccc(cc1)CSc2ccnnc2 62a_100000187161_100000732662 [0,1,0,0,0,0|3,0,0]=4 2137 B16R2.132 Clc1ccc(cc1)CSc2ccnnc2 62a_100000732662_100000187161 [0,1,0,0,0,0|3,0,0]=4 2138 B16R2.132 Clc1ccc(cc1)CSc2cnccn2 62a_100000187161_100000211759 [0,1,0,0,0,0|3,0,0]=4 2139 B16R2.132 Clc1ccc(cc1)CSc2cnccn2 62a_100000211759_100000187161 [0,1,0,0,0,0|3,0,0]=4 2140 B16R2.132 Clc1ccc(cc1)CSc2cncnc2 62a_100000187161_100011206942 [0,1,0,0,0,0|3,0,0]=4 2141 B16R2.132 Clc1ccc(cc1)CSc2cncnc2 62a_100011206942_100000187161 [0,1,0,0,0,0|3,0,0]=4 2142 B16R2.132 Clc1ccc(cc1)NCc2ccccc2 207a_100000210052_100015611070 [0,1,0,0,0,0|1,0,0]=2 2143 B16R2.132 Clc1ccc(cc1)NCc2ccccc2 2230a_100000210052_100015291786 [0,1,0,0,0,0|1,0,0]=2 2144 B16R2.132 Clc1ccc(cc1)NCc2ccccc2 270302a_100000210052_100015611070 [0,1,0,0,0,0|1,0,0]=2 2145 B16R2.132 Clc1ccc(cc1)NCc2ccccc2 34a_100000210052_100015291786 [0,1,0,0,0,0|1,0,0]=2 2146 B16R2.132 Clc1ccc(cc1)NCc2ccccn2 207a_100000210052_100000209966 [0,1,0,0,0,0|2,0,0]=3 2147 B16R2.132 Clc1ccc(cc1)NCc2ccccn2 2230a_100000210052_100000721315 [0,1,0,0,0,0|2,0,0]=3 2148 B16R2.132 Clc1ccc(cc1)NCc2ccccn2 270302a_100000210052_100000209966 [0,1,0,0,0,0|2,0,0]=3 2149 B16R2.132 Clc1ccc(cc1)NCc2ccccn2 34a_100000210052_100000721315 [0,1,0,0,0,0|2,0,0]=3 2150 B16R2.132 Clc1ccc(cc1)NCc2cccnc2 207a_100000210052_100000209961 [0,1,0,0,0,0|0,0,0]=1 2151 B16R2.132 Clc1ccc(cc1)NCc2cccnc2 2230a_100000210052_100000741622 [0,1,0,0,0,0|0,0,0]=1 2152 B16R2.132 Clc1ccc(cc1)NCc2cccnc2 270302a_100000210052_100000209961 [0,1,0,0,0,0|0,0,0]=1 2153 B16R2.132 Clc1ccc(cc1)NCc2cccnc2 34a_100000210052_100000733263 [0,1,0,0,0,0|0,0,0]=1 2154 B16R2.132 Clc1ccc(cc1)NCc2cccnn2 2230a_100000210052_100016990269 [0,1,0,0,0,0|1,0,0]=2 2155 B16R2.132 Clc1ccc(cc1)NCc2cccnn2 34a_100000210052_100016990269 [0,1,0,0,0,0|1,0,0]=2 2156 B16R2.132 Clc1ccc(cc1)NCc2ccncc2 207a_100000210052_100000186114 [0,1,0,0,0,0|2,0,0]=3 2157 B16R2.132 Clc1ccc(cc1)NCc2ccncc2 2230a_100000210052_100015193705 [0,1,0,0,0,0|2,0,0]=3 2158 B16R2.132 Clc1ccc(cc1)NCc2ccnnc2 270302a_100000210052_100011934578 [0,1,0,0,0,0|1,0,0]=2 2159 B16R2.132 Clc1ccc(cc1)NCc2cnccn2 2230a_100000210052_100016995436 [0,1,0,0,0,0|1,0,0]=2 2160 B16R2.132 Clc1ccc(cc1)NCc2cnccn2 34a_100000210052_100016995436 [0,1,0,0,0,0|1,0,0]=2 2161 B16R2.132 Clc1ccc(cc1)NCc2cncnc2 2230a_100000210052_100015196519 [0,1,0,0,0,0|1,0,0]=2 2162 B16R2.132 Clc1ccc(cc1)NCc2cncnc2 270302a_100000210052_100000749868 [0,1,0,0,0,0|1,0,0]=2 2163 B16R2.132 Clc1ccc(cc1)NCc2cncnc2 34a_100000210052_100015196519 [0,1,0,0,0,0|1,0,0]=2 2164 B16R2.132 Clc1ccc(cc1)NCc2ncccn2 2230a_100000210052_100000703007 [0,1,0,0,0,0|3,0,0]=4 2165 B16R2.132 Clc1ccc(cc1)NCc2ncccn2 34a_100000210052_100000703007 [0,1,0,0,0,0|3,0,0]=4 2166 B16R2.132 Clc1ccc(cc1)OCc2ccccc2 34a_100000210216_100015291786 [0,1,0,0,0,0|2,0,0]=3 2167 B16R2.132 Clc1ccc(cc1)OCc2ccccc2 7a_100000210216_100000211182 [0,1,0,0,0,0|2,0,0]=3 2168 B16R2.132 Clc1ccc(cc1)OCc2ccccn2 34a_100000210216_100000721315 [0,1,0,0,0,0|3,0,0]=4 2169 B16R2.132 Clc1ccc(cc1)OCc2ccccn2 7a_100000210216_100000721315 [0,1,0,0,0,0|3,0,0]=4 2170 B16R2.132 Clc1ccc(cc1)OCc2cccnc2 34a_100000210216_100000733263 [0,1,0,0,0,0|1,0,0]=2 2171 B16R2.132 Clc1ccc(cc1)OCc2cccnc2 7a_100000210216_100000741622 [0,1,0,0,0,0|1,0,0]=2 2172 B16R2.132 Clc1ccc(cc1)OCc2cccnn2 34a_100000210216_100016990269 [0,1,0,0,0,0|2,0,0]=3 2173 B16R2.132 Clc1ccc(cc1)OCc2cccnn2 7a_100000210216_100016990269 [0,1,0,0,0,0|2,0,0]=3 2174 B16R2.132 Clc1ccc(cc1)OCc2ccncc2 7a_100000210216_100015193705 [0,1,0,0,0,0|3,0,0]=4 2175 B16R2.132 Clc1ccc(cc1)OCc2cnccn2 34a_100000210216_100016995436 [0,1,0,0,0,0|2,0,0]=3 2176 B16R2.132 Clc1ccc(cc1)OCc2cnccn2 7a_100000210216_100016995436 [0,1,0,0,0,0|2,0,0]=3 2177 B16R2.132 Clc1ccc(cc1)OCc2cncnc2 34a_100000210216_100015196519 [0,1,0,0,0,0|2,0,0]=3 2178 B16R2.132 Clc1ccc(cc1)OCc2cncnc2 7a_100000210216_100015196519 [0,1,0,0,0,0|2,0,0]=3 2179 B16R2.132 Clc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000755918 [0,1,0,0,0,0|2,0,0]=3 2180 B16R2.132 Clc1ccc(cc1)SCc2ccccc2 62a_100000755918_100015291786 [0,1,0,0,0,0|2,0,0]=3 2181 B16R2.132 Clc1ccc(cc1)SCc2ccccn2 62a_100000721315_100000755918 [0,1,0,0,0,0|3,0,0]=4 2182 B16R2.132 Clc1ccc(cc1)SCc2ccccn2 62a_100000755918_100000721315 [0,1,0,0,0,0|3,0,0]=4 2183 B16R2.132 Clc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000755918 [0,1,0,0,0,0|1,0,0]=2 2184 B16R2.132 Clc1ccc(cc1)SCc2cccnc2 62a_100000755918_100000741622 [0,1,0,0,0,0|1,0,0]=2 2185 B16R2.132 Clc1ccc(cc1)SCc2cccnn2 62a_100000755918_100016990269 [0,1,0,0,0,0|2,0,0]=3 2186 B16R2.132 Clc1ccc(cc1)SCc2cccnn2 62a_100016990269_100000755918 [0,1,0,0,0,0|2,0,0]=3 2187 B16R2.132 Clc1ccc(cc1)SCc2ccncc2 62a_100000755918_100015193705 [0,1,0,0,0,0|3,0,0]=4 2188 B16R2.132 Clc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000755918 [0,1,0,0,0,0|3,0,0]=4 2189 B16R2.132 Clc1ccc(cc1)SCc2cnccn2 62a_100000755918_100016995436 [0,1,0,0,0,0|2,0,0]=3 2190 B16R2.132 Clc1ccc(cc1)SCc2cnccn2 62a_100016995436_100000755918 [0,1,0,0,0,0|2,0,0]=3 2191 B16R2.132 Clc1ccc(cc1)SCc2cncnc2 62a_100000755918_100015196519 [0,1,0,0,0,0|2,0,0]=3 2192 B16R2.132 Clc1ccc(cc1)SCc2cncnc2 62a_100015196519_100000755918 [0,1,0,0,0,0|2,0,0]=3 2193 B16R2.132 Clc1ccc(cn1)C#Cc2ccccc2 271570a_100000069678_100000034144 [0,1,0,0,0,0|1,0,1]=3 2194 B16R2.132 Clc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100000034144 [0,1,0,0,0,0|1,0,1]=3 2195 B16R2.132 Clc1ccc(cn1)C=Cc2cccnc2 271570a_100102525586_100000034144 [0,1,0,0,0,0|2,0,1]=4 2196 B16R2.132 Clc1ccc(cn1)CNc2ccccc2 270302a_100000106764_100000766901 [0,1,0,0,0,0|0,0,0]=1 2197 B16R2.132 Clc1ccc(cn1)CNc2ccccc2 34a_100000106764_100000735431 [0,1,0,0,0,0|0,0,0]=1 2198 B16R2.132 Clc1ccc(cn1)CNc2cccnn2 27a_100000735879_100016991348 [0,1,0,0,0,0|2,0,0]=3 2199 B16R2.132 Clc1ccc(cn1)CNc2ccncn2 27a_100000735879_100000703185 [0,1,0,0,0,0|2,0,0]=3 2200 B16R2.132 Clc1ccc(cn1)CNc2cnccn2 27a_100000735879_100000211759 [0,1,0,0,0,0|2,0,0]=3 2201 B16R2.132 Clc1ccc(cn1)CNc2ncccn2 27a_100000735879_100000211032 [0,1,0,0,0,0|2,0,0]=3 2202 B16R2.132 Clc1ccc(cn1)COc2ccccc2 34a_100000210340_100000735431 [0,1,0,0,0,0|1,0,0]=2 2203 B16R2.132 Clc1ccc(cn1)COc2ccccc2 7a_100000210340_100000735431 [0,1,0,0,0,0|1,0,0]=2 2204 B16R2.132 Clc1ccc(cn1)COc2cccnc2 34a_100000210849_100000735431 [0,1,0,0,0,0|2,0,0]=3 2205 B16R2.132 Clc1ccc(cn1)COc2cccnc2 7a_100000210849_100000735431 [0,1,0,0,0,0|2,0,0]=3 2206 B16R2.132 Clc1ccc(cn1)COc2ccncc2 34a_100000212176_100000735431 [0,1,0,0,0,0|2,0,0]=3 2207 B16R2.132 Clc1ccc(cn1)COc2ccnnc2 34a_100015204005_100000735431 [0,1,0,0,0,0|3,0,0]=4 2208 B16R2.132 Clc1ccc(cn1)COc2cncnc2 7a_100000754086_100000735431 [0,1,0,0,0,0|3,0,0]=4 2209 B16R2.132 Clc1ccc(cn1)CSc2ccccc2 62a_100000719477_100000735431 [0,1,0,0,0,0|1,0,0]=2 2210 B16R2.132 Clc1ccc(cn1)CSc2ccccc2 62a_100000735431_100000041952 [0,1,0,0,0,0|1,0,0]=2 2211 B16R2.132 Clc1ccc(cn1)CSc2ccccn2 62a_100000735431_100011216584 [0,1,0,0,0,0|2,0,0]=3 2212 B16R2.132 Clc1ccc(cn1)CSc2ccccn2 62a_100011216584_100000735431 [0,1,0,0,0,0|2,0,0]=3 2213 B16R2.132 Clc1ccc(cn1)CSc2cccnc2 62a_100000210063_100000735431 [0,1,0,0,0,0|2,0,0]=3 2214 B16R2.132 Clc1ccc(cn1)CSc2cccnc2 62a_100000735431_100000210063 [0,1,0,0,0,0|2,0,0]=3 2215 B16R2.132 Clc1ccc(cn1)CSc2cccnn2 62a_100000735431_100016991348 [0,1,0,0,0,0|3,0,0]=4 2216 B16R2.132 Clc1ccc(cn1)CSc2cccnn2 62a_100016991348_100000735431 [0,1,0,0,0,0|3,0,0]=4 2217 B16R2.132 Clc1ccc(cn1)CSc2ccncc2 62a_100000728582_100000735431 [0,1,0,0,0,0|2,0,0]=3 2218 B16R2.132 Clc1ccc(cn1)CSc2ccncc2 62a_100000735431_100000728582 [0,1,0,0,0,0|2,0,0]=3 2219 B16R2.132 Clc1ccc(cn1)CSc2ccncn2 62a_100000703185_100000735431 [0,1,0,0,0,0|3,0,0]=4 2220 B16R2.132 Clc1ccc(cn1)CSc2ccncn2 62a_100000735431_100000703185 [0,1,0,0,0,0|3,0,0]=4 2221 B16R2.132 Clc1ccc(cn1)CSc2ccnnc2 62a_100000732662_100000735431 [0,1,0,0,0,0|3,0,0]=4 2222 B16R2.132 Clc1ccc(cn1)CSc2ccnnc2 62a_100000735431_100000732662 [0,1,0,0,0,0|3,0,0]=4 2223 B16R2.132 Clc1ccc(cn1)CSc2cnccn2 62a_100000211759_100000735431 [0,1,0,0,0,0|3,0,0]=4 2224 B16R2.132 Clc1ccc(cn1)CSc2cnccn2 62a_100000735431_100000211759 [0,1,0,0,0,0|3,0,0]=4 2225 B16R2.132 Clc1ccc(cn1)CSc2cncnc2 62a_100000735431_100011206942 [0,1,0,0,0,0|3,0,0]=4 2226 B16R2.132 Clc1ccc(cn1)CSc2cncnc2 62a_100011206942_100000735431 [0,1,0,0,0,0|3,0,0]=4 2227 B16R2.132 Clc1ccc(cn1)CSc2ncccn2 62a_100000211032_100000735431 [0,1,0,0,0,0|3,0,0]=4 2228 B16R2.132 Clc1ccc(cn1)CSc2ncccn2 62a_100000735431_100000211032 [0,1,0,0,0,0|3,0,0]=4 2229 B16R2.132 Clc1ccc(cn1)OCc2ccccc2 34a_100000744096_100015291786 [0,1,0,0,0,0|2,0,0]=3 2230 B16R2.132 Clc1ccc(cn1)OCc2ccccc2 7a_100000744096_100000211182 [0,1,0,0,0,0|2,0,0]=3 2231 B16R2.132 Clc1ccc(cn1)OCc2ccccn2 34a_100000744096_100000721315 [0,1,0,0,0,0|3,0,0]=4 2232 B16R2.132 Clc1ccc(cn1)OCc2ccccn2 7a_100000744096_100000721315 [0,1,0,0,0,0|3,0,0]=4 2233 B16R2.132 Clc1ccc(cn1)OCc2cccnc2 34a_100000744096_100000733263 [0,1,0,0,0,0|2,0,0]=3 2234 B16R2.132 Clc1ccc(cn1)OCc2cccnc2 7a_100000744096_100000741622 [0,1,0,0,0,0|2,0,0]=3 2235 B16R2.132 Clc1ccc(cn1)OCc2cccnn2 34a_100000744096_100016990269 [0,1,0,0,0,0|3,0,0]=4 2236 B16R2.132 Clc1ccc(cn1)OCc2cccnn2 7a_100000744096_100016990269 [0,1,0,0,0,0|3,0,0]=4 2237 B16R2.132 Clc1ccc(cn1)OCc2ccncc2 7a_100000744096_100015193705 [0,1,0,0,0,0|3,0,0]=4 2238 B16R2.132 Clc1ccc(cn1)OCc2cnccn2 34a_100000744096_100016995436 [0,1,0,0,0,0|3,0,0]=4 2239 B16R2.132 Clc1ccc(cn1)OCc2cnccn2 7a_100000744096_100016995436 [0,1,0,0,0,0|3,0,0]=4 2240 B16R2.132 Clc1ccc(cn1)OCc2cncnc2 34a_100000744096_100015196519 [0,1,0,0,0,0|3,0,0]=4 2241 B16R2.132 Clc1ccc(cn1)OCc2cncnc2 7a_100000744096_100015196519 [0,1,0,0,0,0|3,0,0]=4 2242 B16R2.132 Clc1ccc(cn1)SCc2ccccc2 62a_100000034144_100015291786 [0,1,0,0,0,0|2,0,0]=3 2243 B16R2.132 Clc1ccc(cn1)SCc2ccccc2 62a_100000211182_100000034144 [0,1,0,0,0,0|2,0,0]=3 2244 B16R2.132 Clc1ccc(cn1)SCc2ccccn2 62a_100000034144_100000721315 [0,1,0,0,0,0|3,0,0]=4 2245 B16R2.132 Clc1ccc(cn1)SCc2ccccn2 62a_100000721315_100000034144 [0,1,0,0,0,0|3,0,0]=4 2246 B16R2.132 Clc1ccc(cn1)SCc2cccnc2 62a_100000034144_100000741622 [0,1,0,0,0,0|2,0,0]=3 2247 B16R2.132 Clc1ccc(cn1)SCc2cccnc2 62a_100000741622_100000034144 [0,1,0,0,0,0|2,0,0]=3 2248 B16R2.132 Clc1ccc(cn1)SCc2cccnn2 62a_100000034144_100016990269 [0,1,0,0,0,0|3,0,0]=4 2249 B16R2.132 Clc1ccc(cn1)SCc2cccnn2 62a_100016990269_100000034144 [0,1,0,0,0,0|3,0,0]=4 2250 B16R2.132 Clc1ccc(cn1)SCc2ccncc2 62a_100000034144_100015193705 [0,1,0,0,0,0|3,0,0]=4 2251 B16R2.132 Clc1ccc(cn1)SCc2ccncc2 62a_100015193705_100000034144 [0,1,0,0,0,0|3,0,0]=4 2252 B16R2.132 Clc1ccc(cn1)SCc2cnccn2 62a_100000034144_100016995436 [0,1,0,0,0,0|3,0,0]=4 2253 B16R2.132 Clc1ccc(cn1)SCc2cnccn2 62a_100016995436_100000034144 [0,1,0,0,0,0|3,0,0]=4 2254 B16R2.132 Clc1ccc(cn1)SCc2cncnc2 62a_100000034144_100015196519 [0,1,0,0,0,0|3,0,0]=4 2255 B16R2.132 Clc1ccc(cn1)SCc2cncnc2 62a_100015196519_100000034144 [0,1,0,0,0,0|3,0,0]=4 2256 B16R2.132 Clc1ccc(nc1)C=Cc2cccnc2 271570a_100102525586_100011356976 [0,1,0,0,0,0|2,0,1]=4 2257 B16R2.132 Clc1ccc(nc1)CNc2ccccc2 207a_100000106764_100011361569 [0,1,0,0,0,0|2,0,0]=3 2258 B16R2.132 Clc1ccc(nc1)CNc2ccccc2 270302a_100000106764_100011361569 [0,1,0,0,0,0|2,0,0]=3 2259 B16R2.132 Clc1ccc(nc1)CNc2ccccc2 34a_100000106764_100012066911 [0,1,0,0,0,0|2,0,0]=3 2260 B16R2.132 Clc1ccc(nc1)COc2ccccc2 34a_100000210340_100012066911 [0,1,0,0,0,0|3,0,0]=4 2261 B16R2.132 Clc1ccc(nc1)COc2ccccc2 7a_100000210340_100012066911 [0,1,0,0,0,0|3,0,0]=4 2262 B16R2.132 Clc1ccc(nc1)COc2cccnc2 34a_100000210849_100012066911 [0,1,0,0,0,0|3,0,0]=4 2263 B16R2.132 Clc1ccc(nc1)COc2cccnc2 7a_100000210849_100012066911 [0,1,0,0,0,0|3,0,0]=4 2264 B16R2.132 Clc1ccc(nc1)CSc2ccccc2 62a_100000719477_100000697101 [0,1,0,0,0,0|3,0,0]=4 2265 B16R2.132 Clc1ccc(nc1)CSc2ccccc2 62a_100012066911_100000041952 [0,1,0,0,0,0|3,0,0]=4 2266 B16R2.132 Clc1ccc(nc1)CSc2cccnc2 62a_100000210063_100000697101 [0,1,0,0,0,0|3,0,0]=4 2267 B16R2.132 Clc1ccc(nc1)CSc2cccnc2 62a_100012066911_100000210063 [0,1,0,0,0,0|3,0,0]=4 2268 B16R2.132 Clc1ccc(nc1)OCc2ccccc2 34a_100011215309_100015291786 [0,1,0,0,0,0|3,0,0]=4 2269 B16R2.132 Clc1ccc(nc1)OCc2cccnc2 34a_100011215309_100000733263 [0,1,0,0,0,0|2,0,0]=3 2270 B16R2.132 Clc1ccc(nc1)OCc2cccnn2 34a_100011215309_100016990269 [0,1,0,0,0,0|3,0,0]=4 2271 B16R2.132 Clc1ccc(nc1)OCc2cnccn2 34a_100011215309_100016995436 [0,1,0,0,0,0|3,0,0]=4 2272 B16R2.132 Clc1ccc(nc1)OCc2cncnc2 34a_100011215309_100015196519 [0,1,0,0,0,0|3,0,0]=4 2273 B16R2.132 Clc1ccc(nc1)SCc2ccccc2 62a_100000211182_100011356976 [0,1,0,0,0,0|3,0,0]=4 2274 B16R2.132 Clc1ccc(nc1)SCc2ccccc2 62a_100011356976_100015291786 [0,1,0,0,0,0|3,0,0]=4 2275 B16R2.132 Clc1ccc(nc1)SCc2cccnc2 62a_100000741622_100011356976 [0,1,0,0,0,0|2,0,0]=3 2276 B16R2.132 Clc1ccc(nc1)SCc2cccnc2 62a_100011356976_100000741622 [0,1,0,0,0,0|2,0,0]=3 2277 B16R2.132 Clc1ccc(nc1)SCc2cccnn2 62a_100011356976_100016990269 [0,1,0,0,0,0|3,0,0]=4 2278 B16R2.132 Clc1ccc(nc1)SCc2cccnn2 62a_100016990269_100011356976 [0,1,0,0,0,0|3,0,0]=4 2279 B16R2.132 Clc1ccc(nc1)SCc2cnccn2 62a_100011356976_100016995436 [0,1,0,0,0,0|3,0,0]=4 2280 B16R2.132 Clc1ccc(nc1)SCc2cnccn2 62a_100016995436_100011356976 [0,1,0,0,0,0|3,0,0]=4 2281 B16R2.132 Clc1ccc(nc1)SCc2cncnc2 62a_100011356976_100015196519 [0,1,0,0,0,0|3,0,0]=4 2282 B16R2.132 Clc1ccc(nc1)SCc2cncnc2 62a_100015196519_100011356976 [0,1,0,0,0,0|3,0,0]=4 2283 B16R2.132 Clc1ccc(nn1)CNc2ccccc2 34a_100000106764_100016992710 [0,1,0,0,0,0|1,0,0]=2 2284 B16R2.132 Clc1ccc(nn1)COc2ccccc2 34a_100000210340_100016992710 [0,1,0,0,0,0|2,0,0]=3 2285 B16R2.132 Clc1ccc(nn1)COc2ccccc2 7a_100000210340_100016992710 [0,1,0,0,0,0|2,0,0]=3 2286 B16R2.132 Clc1ccc(nn1)COc2cccnc2 34a_100000210849_100016992710 [0,1,0,0,0,0|3,0,0]=4 2287 B16R2.132 Clc1ccc(nn1)COc2cccnc2 7a_100000210849_100016992710 [0,1,0,0,0,0|3,0,0]=4 2288 B16R2.132 Clc1ccc(nn1)COc2ccncc2 34a_100000212176_100016992710 [0,1,0,0,0,0|3,0,0]=4 2289 B16R2.132 Clc1ccc(nn1)CSc2ccccc2 62a_100000719477_100016992710 [0,1,0,0,0,0|2,0,0]=3 2290 B16R2.132 Clc1ccc(nn1)CSc2ccccc2 62a_100016992710_100000041952 [0,1,0,0,0,0|2,0,0]=3 2291 B16R2.132 Clc1ccc(nn1)CSc2ccccn2 62a_100011216584_100016992710 [0,1,0,0,0,0|3,0,0]=4 2292 B16R2.132 Clc1ccc(nn1)CSc2ccccn2 62a_100016992710_100011216584 [0,1,0,0,0,0|3,0,0]=4 2293 B16R2.132 Clc1ccc(nn1)CSc2cccnc2 62a_100000210063_100016992710 [0,1,0,0,0,0|3,0,0]=4 2294 B16R2.132 Clc1ccc(nn1)CSc2cccnc2 62a_100016992710_100000210063 [0,1,0,0,0,0|3,0,0]=4 2295 B16R2.132 Clc1ccc(nn1)CSc2ccncc2 62a_100000728582_100016992710 [0,1,0,0,0,0|3,0,0]=4 2296 B16R2.132 Clc1ccc(nn1)CSc2ccncc2 62a_100016992710_100000728582 [0,1,0,0,0,0|3,0,0]=4 2297 B16R2.132 Clc1ccc(nn1)SCc2ccccc2 62a_100000068654_100015291786 [0,1,0,0,0,0|3,0,0]=4 2298 B16R2.132 Clc1ccc(nn1)SCc2ccccc2 62a_100000211182_100000068654 [0,1,0,0,0,0|3,0,0]=4 2299 B16R2.132 Clc1ccc(nn1)SCc2cccnc2 62a_100000068654_100000741622 [0,1,0,0,0,0|3,0,0]=4 2300 B16R2.132 Clc1ccc(nn1)SCc2cccnc2 62a_100000741622_100000068654 [0,1,0,0,0,0|3,0,0]=4 2301 B16R2.132 Clc1cnc(cn1)OCc2ccccc2 34a_100015839800_100015291786 [0,1,0,0,0,0|3,0,0]=4 2302 B16R2.132 Clc1cnc(cn1)OCc2cccnc2 34a_100015839800_100000733263 [0,1,0,0,0,0|3,0,0]=4 2303 B16R2.132 Clc1cnc(cn1)SCc2ccccc2 62a_100000211182_100010214907 [0,1,0,0,0,0|3,0,0]=4 2304 B16R2.132 Clc1cnc(cn1)SCc2ccccc2 62a_100010214907_100015291786 [0,1,0,0,0,0|3,0,0]=4 2305 B16R2.132 Clc1cnc(cn1)SCc2cccnc2 62a_100000741622_100010214907 [0,1,0,0,0,0|3,0,0]=4 2306 B16R2.132 Clc1cnc(cn1)SCc2cccnc2 62a_100010214907_100000741622 [0,1,0,0,0,0|3,0,0]=4 2307 B16R2.132 Clc1cnc(nc1)NCc2ccccc2 27a_100015324214_100011356929 [0,1,0,0,0,0|3,0,0]=4 2308 B16R2.132 Clc1cnc(nc1)NCc2cccnc2 27a_100000210453_100011356929 [0,1,0,0,0,0|2,0,0]=3 2309 B16R2.132 Clc1cnc(nc1)NCc2cccnn2 27a_100159270163_100011356929 [0,1,0,0,0,0|3,0,0]=4 2310 B16R2.132 Clc1cnc(nc1)NCc2cnccn2 27a_100000737960_100011356929 [0,1,0,0,0,0|3,0,0]=4 2311 B16R2.132 Clc1cnc(nc1)NCc2cncnc2 27a_100011243677_100011356929 [0,1,0,0,0,0|3,0,0]=4 2312 B16R2.132 Clc1cnc(nc1)SCc2cccnc2 62a_100000741622_100011356929 [0,1,0,0,0,0|3,0,0]=4 2313 B16R2.132 Clc1cnc(nc1)SCc2cccnc2 62a_100011356929_100000741622 [0,1,0,0,0,0|3,0,0]=4 2314 B16R2.132 Clc1ncc(cn1)OCc2ccccc2 34a_100000092845_100015291786 [0,1,0,0,0,0|3,0,0]=4 2315 B16R2.132 Clc1ncc(cn1)OCc2ccccc2 7a_100000092845_100000211182 [0,1,0,0,0,0|3,0,0]=4 2316 B16R2.132 Clc1ncc(cn1)OCc2cccnc2 34a_100000092845_100000733263 [0,1,0,0,0,0|3,0,0]=4 2317 B16R2.132 Clc1ncc(cn1)OCc2cccnc2 7a_100000092845_100000741622 [0,1,0,0,0,0|3,0,0]=4 2318 B16R2.132 Clc1ncc(cn1)SCc2ccccc2 62a_100000059775_100015291786 [0,1,0,0,0,0|3,0,0]=4 2319 B16R2.132 Clc1ncc(cn1)SCc2ccccc2 62a_100000211182_100000059775 [0,1,0,0,0,0|3,0,0]=4 2320 B16R2.132 Clc1ncc(cn1)SCc2cccnc2 62a_100000059775_100000741622 [0,1,0,0,0,0|3,0,0]=4 2321 B16R2.132 Clc1ncc(cn1)SCc2cccnc2 62a_100000741622_100000059775 [0,1,0,0,0,0|3,0,0]=4 2322 B16R2.132 Fc1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100000211213 [0,1,0,0,0,0|2,0,1]=4 2323 B16R2.132 Fc1ccc(cc1)C=Cc2ccccc2 271570a_100102525539_100000210277 [0,1,0,0,0,0|2,0,1]=4 2324 B16R2.132 Fc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000211213 [0,1,0,0,0,0|2,0,1]=4 2325 B16R2.132 Fc1ccc(cc1)C=Cc2cccnc2 271570a_100102525539_100000752921 [0,1,0,0,0,0|1,0,1]=3 2326 B16R2.132 Fc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000211213 [0,1,0,0,0,0|1,0,1]=3 2327 B16R2.132 Fc1ccc(cc1)C=Cc2cccnn2 271570a_100102525539_100016991348 [0,1,0,0,0,0|2,0,1]=4 2328 B16R2.132 Fc1ccc(cc1)C=Cc2ccnnc2 271570a_100102525539_100000732662 [0,1,0,0,0,0|2,0,1]=4 2329 B16R2.132 Fc1ccc(cc1)C=Cc2cnccn2 271570a_100102525539_100000758340 [0,1,0,0,0,0|2,0,1]=4 2330 B16R2.132 Fc1ccc(cc1)C=Cc2cncnc2 271570a_100102525539_100011206942 [0,1,0,0,0,0|2,0,1]=4 2331 B16R2.132 Fc1ccc(cc1)CNc2ccccc2 207a_100000106764_100000210084 [0,1,0,0,0,0|1,0,0]=2 2332 B16R2.132 Fc1ccc(cc1)CNc2ccccc2 270302a_100000106764_100000210084 [0,1,0,0,0,0|1,0,0]=2 2333 B16R2.132 Fc1ccc(cc1)CNc2ccccc2 34a_100000106764_100000198546 [0,1,0,0,0,0|1,0,0]=2 2334 B16R2.132 Fc1ccc(cc1)CNc2cccnn2 27a_100000174882_100016991348 [0,1,0,0,0,0|3,0,0]=4 2335 B16R2.132 Fc1ccc(cc1)CNc2ccncn2 27a_100000174882_100000703185 [0,1,0,0,0,0|3,0,0]=4 2336 B16R2.132 Fc1ccc(cc1)CNc2cnccn2 27a_100000174882_100000211759 [0,1,0,0,0,0|3,0,0]=4 2337 B16R2.132 Fc1ccc(cc1)CNc2ncccn2 27a_100000174882_100000211032 [0,1,0,0,0,0|3,0,0]=4 2338 B16R2.132 Fc1ccc(cc1)COc2ccccc2 34a_100000210340_100000198546 [0,1,0,0,0,0|2,0,0]=3 2339 B16R2.132 Fc1ccc(cc1)COc2ccccc2 7a_100000210340_100000198546 [0,1,0,0,0,0|2,0,0]=3 2340 B16R2.132 Fc1ccc(cc1)COc2cccnc2 34a_100000210849_100000198546 [0,1,0,0,0,0|2,0,0]=3 2341 B16R2.132 Fc1ccc(cc1)COc2cccnc2 7a_100000210849_100000198546 [0,1,0,0,0,0|2,0,0]=3 2342 B16R2.132 Fc1ccc(cc1)COc2ccncc2 34a_100000212176_100000198546 [0,1,0,0,0,0|3,0,0]=4 2343 B16R2.132 Fc1ccc(cc1)COc2ccnnc2 34a_100015204005_100000198546 [0,1,0,0,0,0|3,0,0]=4 2344 B16R2.132 Fc1ccc(cc1)COc2cncnc2 7a_100000754086_100000198546 [0,1,0,0,0,0|3,0,0]=4 2345 B16R2.132 Fc1ccc(cc1)CSc2ccccc2 62a_100000198546_100000041952 [0,1,0,0,0,0|2,0,0]=3 2346 B16R2.132 Fc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000187164 [0,1,0,0,0,0|2,0,0]=3 2347 B16R2.132 Fc1ccc(cc1)CSc2ccccn2 62a_100000198546_100011216584 [0,1,0,0,0,0|3,0,0]=4 2348 B16R2.132 Fc1ccc(cc1)CSc2ccccn2 62a_100011216584_100000187164 [0,1,0,0,0,0|3,0,0]=4 2349 B16R2.132 Fc1ccc(cc1)CSc2cccnc2 62a_100000198546_100000210063 [0,1,0,0,0,0|2,0,0]=3 2350 B16R2.132 Fc1ccc(cc1)CSc2cccnc2 62a_100000210063_100000187164 [0,1,0,0,0,0|2,0,0]=3 2351 B16R2.132 Fc1ccc(cc1)CSc2cccnn2 62a_100000198546_100016991348 [0,1,0,0,0,0|3,0,0]=4 2352 B16R2.132 Fc1ccc(cc1)CSc2cccnn2 62a_100016991348_100000187164 [0,1,0,0,0,0|3,0,0]=4 2353 B16R2.132 Fc1ccc(cc1)CSc2ccncc2 62a_100000198546_100000728582 [0,1,0,0,0,0|3,0,0]=4 2354 B16R2.132 Fc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000187164 [0,1,0,0,0,0|3,0,0]=4 2355 B16R2.132 Fc1ccc(cc1)CSc2ccnnc2 62a_100000198546_100000732662 [0,1,0,0,0,0|3,0,0]=4 2356 B16R2.132 Fc1ccc(cc1)CSc2ccnnc2 62a_100000732662_100000187164 [0,1,0,0,0,0|3,0,0]=4 2357 B16R2.132 Fc1ccc(cc1)CSc2cnccn2 62a_100000198546_100000211759 [0,1,0,0,0,0|3,0,0]=4 2358 B16R2.132 Fc1ccc(cc1)CSc2cnccn2 62a_100000211759_100000187164 [0,1,0,0,0,0|3,0,0]=4 2359 B16R2.132 Fc1ccc(cc1)CSc2cncnc2 62a_100000198546_100011206942 [0,1,0,0,0,0|3,0,0]=4 2360 B16R2.132 Fc1ccc(cc1)CSc2cncnc2 62a_100011206942_100000187164 [0,1,0,0,0,0|3,0,0]=4 2361 B16R2.132 Fc1ccc(cc1)NCc2ccccc2 207a_100000185862_100015611070 [0,1,0,0,0,0|1,0,0]=2 2362 B16R2.132 Fc1ccc(cc1)NCc2ccccc2 270302a_100000185862_100015611070 [0,1,0,0,0,0|1,0,0]=2 2363 B16R2.132 Fc1ccc(cc1)NCc2ccccc2 34a_100000185862_100015291786 [0,1,0,0,0,0|1,0,0]=2 2364 B16R2.132 Fc1ccc(cc1)NCc2ccccn2 207a_100000185862_100000209966 [0,1,0,0,0,0|2,0,0]=3 2365 B16R2.132 Fc1ccc(cc1)NCc2ccccn2 270302a_100000185862_100000209966 [0,1,0,0,0,0|2,0,0]=3 2366 B16R2.132 Fc1ccc(cc1)NCc2ccccn2 34a_100000185862_100000721315 [0,1,0,0,0,0|2,0,0]=3 2367 B16R2.132 Fc1ccc(cc1)NCc2cccnc2 207a_100000185862_100000209961 [0,1,0,0,0,0|0,0,0]=1 2368 B16R2.132 Fc1ccc(cc1)NCc2cccnc2 270302a_100000185862_100000209961 [0,1,0,0,0,0|0,0,0]=1 2369 B16R2.132 Fc1ccc(cc1)NCc2cccnc2 34a_100000185862_100000733263 [0,1,0,0,0,0|0,0,0]=1 2370 B16R2.132 Fc1ccc(cc1)NCc2cccnn2 34a_100000185862_100016990269 [0,1,0,0,0,0|1,0,0]=2 2371 B16R2.132 Fc1ccc(cc1)NCc2ccncc2 207a_100000185862_100000186114 [0,1,0,0,0,0|2,0,0]=3 2372 B16R2.132 Fc1ccc(cc1)NCc2ccnnc2 270302a_100000185862_100011934578 [0,1,0,0,0,0|1,0,0]=2 2373 B16R2.132 Fc1ccc(cc1)NCc2cnccn2 34a_100000185862_100016995436 [0,1,0,0,0,0|1,0,0]=2 2374 B16R2.132 Fc1ccc(cc1)NCc2cncnc2 270302a_100000185862_100000749868 [0,1,0,0,0,0|1,0,0]=2 2375 B16R2.132 Fc1ccc(cc1)NCc2cncnc2 34a_100000185862_100015196519 [0,1,0,0,0,0|1,0,0]=2 2376 B16R2.132 Fc1ccc(cc1)NCc2ncccn2 34a_100000185862_100000703007 [0,1,0,0,0,0|3,0,0]=4 2377 B16R2.132 Fc1ccc(cc1)OCc2ccccc2 34a_100000210339_100015291786 [0,1,0,0,0,0|2,0,0]=3 2378 B16R2.132 Fc1ccc(cc1)OCc2ccccn2 34a_100000210339_100000721315 [0,1,0,0,0,0|3,0,0]=4 2379 B16R2.132 Fc1ccc(cc1)OCc2cccnc2 34a_100000210339_100000733263 [0,1,0,0,0,0|1,0,0]=2 2380 B16R2.132 Fc1ccc(cc1)OCc2cccnn2 34a_100000210339_100016990269 [0,1,0,0,0,0|2,0,0]=3 2381 B16R2.132 Fc1ccc(cc1)OCc2cnccn2 34a_100000210339_100016995436 [0,1,0,0,0,0|2,0,0]=3 2382 B16R2.132 Fc1ccc(cc1)OCc2cncnc2 34a_100000210339_100015196519 [0,1,0,0,0,0|2,0,0]=3 2383 B16R2.132 Fc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000211213 [0,1,0,0,0,0|2,0,0]=3 2384 B16R2.132 Fc1ccc(cc1)SCc2ccccc2 62a_100000211213_100015291786 [0,1,0,0,0,0|2,0,0]=3 2385 B16R2.132 Fc1ccc(cc1)SCc2ccccn2 62a_100000211213_100000721315 [0,1,0,0,0,0|3,0,0]=4 2386 B16R2.132 Fc1ccc(cc1)SCc2ccccn2 62a_100000721315_100000211213 [0,1,0,0,0,0|3,0,0]=4 2387 B16R2.132 Fc1ccc(cc1)SCc2cccnc2 62a_100000211213_100000741622 [0,1,0,0,0,0|1,0,0]=2 2388 B16R2.132 Fc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000211213 [0,1,0,0,0,0|1,0,0]=2 2389 B16R2.132 Fc1ccc(cc1)SCc2cccnn2 62a_100000211213_100016990269 [0,1,0,0,0,0|2,0,0]=3 2390 B16R2.132 Fc1ccc(cc1)SCc2cccnn2 62a_100016990269_100000211213 [0,1,0,0,0,0|2,0,0]=3 2391 B16R2.132 Fc1ccc(cc1)SCc2ccncc2 62a_100000211213_100015193705 [0,1,0,0,0,0|3,0,0]=4 2392 B16R2.132 Fc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000211213 [0,1,0,0,0,0|3,0,0]=4 2393 B16R2.132 Fc1ccc(cc1)SCc2cnccn2 62a_100000211213_100016995436 [0,1,0,0,0,0|2,0,0]=3 2394 B16R2.132 Fc1ccc(cc1)SCc2cnccn2 62a_100016995436_100000211213 [0,1,0,0,0,0|2,0,0]=3 2395 B16R2.132 Fc1ccc(cc1)SCc2cncnc2 62a_100000211213_100015196519 [0,1,0,0,0,0|2,0,0]=3 2396 B16R2.132 Fc1ccc(cc1)SCc2cncnc2 62a_100015196519_100000211213 [0,1,0,0,0,0|2,0,0]=3 2397 B16R2.132 Fc1ccc(cn1)C#Cc2ccccc2 271570a_100000069678_100000748661 [0,1,0,0,0,0|1,0,1]=3 2398 B16R2.132 Fc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100000748661 [0,1,0,0,0,0|1,0,1]=3 2399 B16R2.132 Fc1ccc(cn1)C=Cc2cccnc2 271570a_100102525586_100000748661 [0,1,0,0,0,0|2,0,1]=4 2400 B16R2.132 Fc1ccc(cn1)CNc2ccccc2 270302a_100000106764_100000068566 [0,1,0,0,0,0|0,0,0]=1 2401 B16R2.132 Fc1ccc(cn1)CNc2ccccc2 34a_100000106764_100000099788 [0,1,0,0,0,0|0,0,0]=1 2402 B16R2.132 Fc1ccc(cn1)CNc2cccnn2 27a_100000101913_100016991348 [0,1,0,0,0,0|2,0,0]=3 2403 B16R2.132 Fc1ccc(cn1)CNc2ccncn2 27a_100000101913_100000703185 [0,1,0,0,0,0|2,0,0]=3 2404 B16R2.132 Fc1ccc(cn1)CNc2cnccn2 27a_100000101913_100000211759 [0,1,0,0,0,0|2,0,0]=3 2405 B16R2.132 Fc1ccc(cn1)CNc2ncccn2 27a_100000101913_100000211032 [0,1,0,0,0,0|2,0,0]=3 2406 B16R2.132 Fc1ccc(cn1)COc2ccccc2 34a_100000210340_100000099788 [0,1,0,0,0,0|1,0,0]=2 2407 B16R2.132 Fc1ccc(cn1)COc2ccccc2 7a_100000210340_100009820150 [0,1,0,0,0,0|1,0,0]=2 2408 B16R2.132 Fc1ccc(cn1)COc2cccnc2 34a_100000210849_100000099788 [0,1,0,0,0,0|2,0,0]=3 2409 B16R2.132 Fc1ccc(cn1)COc2cccnc2 7a_100000210849_100009820150 [0,1,0,0,0,0|2,0,0]=3 2410 B16R2.132 Fc1ccc(cn1)COc2ccncc2 34a_100000212176_100000099788 [0,1,0,0,0,0|2,0,0]=3 2411 B16R2.132 Fc1ccc(cn1)COc2ccnnc2 34a_100015204005_100000099788 [0,1,0,0,0,0|3,0,0]=4 2412 B16R2.132 Fc1ccc(cn1)COc2cncnc2 7a_100000754086_100009820150 [0,1,0,0,0,0|3,0,0]=4 2413 B16R2.132 Fc1ccc(cn1)CSc2ccccc2 62a_100000719477_100000099788 [0,1,0,0,0,0|1,0,0]=2 2414 B16R2.132 Fc1ccc(cn1)CSc2ccccc2 62a_100009820150_100000041952 [0,1,0,0,0,0|1,0,0]=2 2415 B16R2.132 Fc1ccc(cn1)CSc2ccccn2 62a_100009820150_100011216584 [0,1,0,0,0,0|2,0,0]=3 2416 B16R2.132 Fc1ccc(cn1)CSc2ccccn2 62a_100011216584_100000099788 [0,1,0,0,0,0|2,0,0]=3 2417 B16R2.132 Fc1ccc(cn1)CSc2cccnc2 62a_100000210063_100000099788 [0,1,0,0,0,0|2,0,0]=3 2418 B16R2.132 Fc1ccc(cn1)CSc2cccnc2 62a_100009820150_100000210063 [0,1,0,0,0,0|2,0,0]=3 2419 B16R2.132 Fc1ccc(cn1)CSc2cccnn2 62a_100009820150_100016991348 [0,1,0,0,0,0|3,0,0]=4 2420 B16R2.132 Fc1ccc(cn1)CSc2cccnn2 62a_100016991348_100000099788 [0,1,0,0,0,0|3,0,0]=4 2421 B16R2.132 Fc1ccc(cn1)CSc2ccncc2 62a_100000728582_100000099788 [0,1,0,0,0,0|2,0,0]=3 2422 B16R2.132 Fc1ccc(cn1)CSc2ccncc2 62a_100009820150_100000728582 [0,1,0,0,0,0|2,0,0]=3 2423 B16R2.132 Fc1ccc(cn1)CSc2ccncn2 62a_100000703185_100000099788 [0,1,0,0,0,0|3,0,0]=4 2424 B16R2.132 Fc1ccc(cn1)CSc2ccncn2 62a_100009820150_100000703185 [0,1,0,0,0,0|3,0,0]=4 2425 B16R2.132 Fc1ccc(cn1)CSc2ccnnc2 62a_100000732662_100000099788 [0,1,0,0,0,0|3,0,0]=4 2426 B16R2.132 Fc1ccc(cn1)CSc2ccnnc2 62a_100009820150_100000732662 [0,1,0,0,0,0|3,0,0]=4 2427 B16R2.132 Fc1ccc(cn1)CSc2cnccn2 62a_100000211759_100000099788 [0,1,0,0,0,0|3,0,0]=4 2428 B16R2.132 Fc1ccc(cn1)CSc2cnccn2 62a_100009820150_100000211759 [0,1,0,0,0,0|3,0,0]=4 2429 B16R2.132 Fc1ccc(cn1)CSc2cncnc2 62a_100009820150_100011206942 [0,1,0,0,0,0|3,0,0]=4 2430 B16R2.132 Fc1ccc(cn1)CSc2cncnc2 62a_100011206942_100000099788 [0,1,0,0,0,0|3,0,0]=4 2431 B16R2.132 Fc1ccc(cn1)CSc2ncccn2 62a_100000211032_100000099788 [0,1,0,0,0,0|3,0,0]=4 2432 B16R2.132 Fc1ccc(cn1)CSc2ncccn2 62a_100009820150_100000211032 [0,1,0,0,0,0|3,0,0]=4 2433 B16R2.132 Fc1ccc(cn1)OCc2ccccc2 34a_100000688820_100015291786 [0,1,0,0,0,0|2,0,0]=3 2434 B16R2.132 Fc1ccc(cn1)OCc2ccccc2 7a_100000688820_100000211182 [0,1,0,0,0,0|2,0,0]=3 2435 B16R2.132 Fc1ccc(cn1)OCc2ccccn2 34a_100000688820_100000721315 [0,1,0,0,0,0|3,0,0]=4 2436 B16R2.132 Fc1ccc(cn1)OCc2ccccn2 7a_100000688820_100000721315 [0,1,0,0,0,0|3,0,0]=4 2437 B16R2.132 Fc1ccc(cn1)OCc2cccnc2 34a_100000688820_100000733263 [0,1,0,0,0,0|2,0,0]=3 2438 B16R2.132 Fc1ccc(cn1)OCc2cccnc2 7a_100000688820_100000741622 [0,1,0,0,0,0|2,0,0]=3 2439 B16R2.132 Fc1ccc(cn1)OCc2cccnn2 34a_100000688820_100016990269 [0,1,0,0,0,0|3,0,0]=4 2440 B16R2.132 Fc1ccc(cn1)OCc2cccnn2 7a_100000688820_100016990269 [0,1,0,0,0,0|3,0,0]=4 2441 B16R2.132 Fc1ccc(cn1)OCc2ccncc2 7a_100000688820_100015193705 [0,1,0,0,0,0|3,0,0]=4 2442 B16R2.132 Fc1ccc(cn1)OCc2cnccn2 34a_100000688820_100016995436 [0,1,0,0,0,0|3,0,0]=4 2443 B16R2.132 Fc1ccc(cn1)OCc2cnccn2 7a_100000688820_100016995436 [0,1,0,0,0,0|3,0,0]=4 2444 B16R2.132 Fc1ccc(cn1)OCc2cncnc2 34a_100000688820_100015196519 [0,1,0,0,0,0|3,0,0]=4 2445 B16R2.132 Fc1ccc(cn1)OCc2cncnc2 7a_100000688820_100015196519 [0,1,0,0,0,0|3,0,0]=4 2446 B16R2.132 Fc1ccc(cn1)SCc2ccccc2 62a_100000042367_100015291786 [0,1,0,0,0,0|2,0,0]=3 2447 B16R2.132 Fc1ccc(cn1)SCc2ccccc2 62a_100000211182_100000042367 [0,1,0,0,0,0|2,0,0]=3 2448 B16R2.132 Fc1ccc(cn1)SCc2ccccn2 62a_100000042367_100000721315 [0,1,0,0,0,0|3,0,0]=4 2449 B16R2.132 Fc1ccc(cn1)SCc2ccccn2 62a_100000721315_100000042367 [0,1,0,0,0,0|3,0,0]=4 2450 B16R2.132 Fc1ccc(cn1)SCc2cccnc2 62a_100000042367_100000741622 [0,1,0,0,0,0|2,0,0]=3 2451 B16R2.132 Fc1ccc(cn1)SCc2cccnc2 62a_100000741622_100000042367 [0,1,0,0,0,0|2,0,0]=3 2452 B16R2.132 Fc1ccc(cn1)SCc2cccnn2 62a_100000042367_100016990269 [0,1,0,0,0,0|3,0,0]=4 2453 B16R2.132 Fc1ccc(cn1)SCc2cccnn2 62a_100016990269_100000042367 [0,1,0,0,0,0|3,0,0]=4 2454 B16R2.132 Fc1ccc(cn1)SCc2ccncc2 62a_100000042367_100015193705 [0,1,0,0,0,0|3,0,0]=4 2455 B16R2.132 Fc1ccc(cn1)SCc2ccncc2 62a_100015193705_100000042367 [0,1,0,0,0,0|3,0,0]=4 2456 B16R2.132 Fc1ccc(cn1)SCc2cnccn2 62a_100000042367_100016995436 [0,1,0,0,0,0|3,0,0]=4 2457 B16R2.132 Fc1ccc(cn1)SCc2cnccn2 62a_100016995436_100000042367 [0,1,0,0,0,0|3,0,0]=4 2458 B16R2.132 Fc1ccc(cn1)SCc2cncnc2 62a_100000042367_100015196519 [0,1,0,0,0,0|3,0,0]=4 2459 B16R2.132 Fc1ccc(cn1)SCc2cncnc2 62a_100015196519_100000042367 [0,1,0,0,0,0|3,0,0]=4 2460 B16R2.132 Fc1ccc(nc1)C=Cc2cccnc2 271570a_100102525586_100000744514 [0,1,0,0,0,0|2,0,1]=4 2461 B16R2.132 Fc1ccc(nc1)CNc2ccccc2 207a_100000106764_100011934744 [0,1,0,0,0,0|2,0,0]=3 2462 B16R2.132 Fc1ccc(nc1)CNc2ccccc2 34a_100000106764_100000703193 [0,1,0,0,0,0|2,0,0]=3 2463 B16R2.132 Fc1ccc(nc1)COc2ccccc2 34a_100000210340_100000703193 [0,1,0,0,0,0|3,0,0]=4 2464 B16R2.132 Fc1ccc(nc1)COc2ccccc2 7a_100000210340_100000703193 [0,1,0,0,0,0|3,0,0]=4 2465 B16R2.132 Fc1ccc(nc1)COc2cccnc2 34a_100000210849_100000703193 [0,1,0,0,0,0|3,0,0]=4 2466 B16R2.132 Fc1ccc(nc1)COc2cccnc2 7a_100000210849_100000703193 [0,1,0,0,0,0|3,0,0]=4 2467 B16R2.132 Fc1ccc(nc1)CSc2ccccc2 62a_100000703193_100000041952 [0,1,0,0,0,0|3,0,0]=4 2468 B16R2.132 Fc1ccc(nc1)CSc2ccccc2 62a_100000719477_100000703193 [0,1,0,0,0,0|3,0,0]=4 2469 B16R2.132 Fc1ccc(nc1)CSc2cccnc2 62a_100000210063_100000703193 [0,1,0,0,0,0|3,0,0]=4 2470 B16R2.132 Fc1ccc(nc1)CSc2cccnc2 62a_100000703193_100000210063 [0,1,0,0,0,0|3,0,0]=4 2471 B16R2.132 Fc1ccc(nc1)OCc2ccccc2 34a_100000742473_100015291786 [0,1,0,0,0,0|3,0,0]=4 2472 B16R2.132 Fc1ccc(nc1)OCc2cccnc2 34a_100000742473_100000733263 [0,1,0,0,0,0|2,0,0]=3 2473 B16R2.132 Fc1ccc(nc1)OCc2cccnn2 34a_100000742473_100016990269 [0,1,0,0,0,0|3,0,0]=4 2474 B16R2.132 Fc1ccc(nc1)OCc2cnccn2 34a_100000742473_100016995436 [0,1,0,0,0,0|3,0,0]=4 2475 B16R2.132 Fc1ccc(nc1)OCc2cncnc2 34a_100000742473_100015196519 [0,1,0,0,0,0|3,0,0]=4 2476 B16R2.132 Fc1ccc(nc1)SCc2ccccc2 62a_100000211182_100000744514 [0,1,0,0,0,0|3,0,0]=4 2477 B16R2.132 Fc1ccc(nc1)SCc2ccccc2 62a_100000744514_100015291786 [0,1,0,0,0,0|3,0,0]=4 2478 B16R2.132 Fc1ccc(nc1)SCc2cccnc2 62a_100000741622_100000744514 [0,1,0,0,0,0|2,0,0]=3 2479 B16R2.132 Fc1ccc(nc1)SCc2cccnc2 62a_100000744514_100000741622 [0,1,0,0,0,0|2,0,0]=3 2480 B16R2.132 Fc1ccc(nc1)SCc2cccnn2 62a_100000744514_100016990269 [0,1,0,0,0,0|3,0,0]=4 2481 B16R2.132 Fc1ccc(nc1)SCc2cccnn2 62a_100016990269_100000744514 [0,1,0,0,0,0|3,0,0]=4 2482 B16R2.132 Fc1ccc(nc1)SCc2cnccn2 62a_100000744514_100016995436 [0,1,0,0,0,0|3,0,0]=4 2483 B16R2.132 Fc1ccc(nc1)SCc2cnccn2 62a_100016995436_100000744514 [0,1,0,0,0,0|3,0,0]=4 2484 B16R2.132 Fc1ccc(nc1)SCc2cncnc2 62a_100000744514_100015196519 [0,1,0,0,0,0|3,0,0]=4 2485 B16R2.132 Fc1ccc(nc1)SCc2cncnc2 62a_100015196519_100000744514 [0,1,0,0,0,0|3,0,0]=4 2486 B16R2.132 Fc1cnc(cn1)C#Cc2ccccc2 271570a_100000069678_100009856528 [0,1,0,0,0,0|2,0,1]=4 2487 B16R2.132 Fc1cnc(cn1)C=Cc2ccccc2 271570a_100102527694_100009856528 [0,1,0,0,0,0|2,0,1]=4 2488 B16R2.132 Fc1cnc(cn1)NCc2ccccc2 27a_100015324214_100009856528 [0,1,0,0,0,0|3,0,0]=4 2489 B16R2.132 Fc1cnc(cn1)NCc2cccnc2 27a_100000210453_100009856528 [0,1,0,0,0,0|2,0,0]=3 2490 B16R2.132 Fc1cnc(cn1)NCc2cccnn2 27a_100159270163_100009856528 [0,1,0,0,0,0|3,0,0]=4 2491 B16R2.132 Fc1cnc(cn1)NCc2cnccn2 27a_100000737960_100009856528 [0,1,0,0,0,0|3,0,0]=4 2492 B16R2.132 Fc1cnc(cn1)NCc2cncnc2 27a_100011243677_100009856528 [0,1,0,0,0,0|3,0,0]=4 2493 B16R2.132 Fc1cnc(cn1)SCc2ccccc2 62a_100000211182_100009856528 [0,1,0,0,0,0|3,0,0]=4 2494 B16R2.132 Fc1cnc(cn1)SCc2ccccc2 62a_100009856528_100015291786 [0,1,0,0,0,0|3,0,0]=4 2495 B16R2.132 Fc1cnc(cn1)SCc2cccnc2 62a_100000741622_100009856528 [0,1,0,0,0,0|3,0,0]=4 2496 B16R2.132 Fc1cnc(cn1)SCc2cccnc2 62a_100009856528_100000741622 [0,1,0,0,0,0|3,0,0]=4 2497 B16R2.132 Fc1cnc(nc1)NCc2ccccc2 27a_100015324214_100000685220 [0,1,0,0,0,0|3,0,0]=4 2498 B16R2.132 Fc1cnc(nc1)NCc2cccnc2 27a_100000210453_100000685220 [0,1,0,0,0,0|2,0,0]=3 2499 B16R2.132 Fc1cnc(nc1)NCc2cccnn2 27a_100159270163_100000685220 [0,1,0,0,0,0|3,0,0]=4 2500 B16R2.132 Fc1cnc(nc1)NCc2cnccn2 27a_100000737960_100000685220 [0,1,0,0,0,0|3,0,0]=4 2501 B16R2.132 Fc1cnc(nc1)NCc2cncnc2 27a_100011243677_100000685220 [0,1,0,0,0,0|3,0,0]=4 2502 B16R2.132 Fc1cnc(nc1)OCc2cccnc2 34a_100011934040_100000733263 [0,1,0,0,0,0|3,0,0]=4 2503 B16R2.132 Fc1cnc(nc1)SCc2cccnc2 62a_100000685220_100000741622 [0,1,0,0,0,0|3,0,0]=4 2504 B16R2.132 Fc1cnc(nc1)SCc2cccnc2 62a_100000741622_100000685220 [0,1,0,0,0,0|3,0,0]=4 2505 B16R2.132 Fc1ncc(cn1)C#Cc2ccccc2 271570a_100000069678_100000685262 [0,1,0,0,0,0|2,0,1]=4 2506 B16R2.132 Fc1ncc(cn1)C=Cc2ccccc2 271570a_100102527694_100000685262 [0,1,0,0,0,0|2,0,1]=4 2507 B16R2.132 Fc1ncc(cn1)OCc2ccccc2 34a_200009874573_100015291786 [0,1,0,0,0,0|3,0,0]=4 2508 B16R2.132 Fc1ncc(cn1)OCc2ccccc2 7a_200009874573_100000211182 [0,1,0,0,0,0|3,0,0]=4 2509 B16R2.132 Fc1ncc(cn1)OCc2cccnc2 34a_200009874573_100000733263 [0,1,0,0,0,0|3,0,0]=4 2510 B16R2.132 Fc1ncc(cn1)OCc2cccnc2 7a_200009874573_100000741622 [0,1,0,0,0,0|3,0,0]=4 2511 B16R2.132 Fc1ncc(cn1)SCc2ccccc2 62a_100000211182_100000685262 [0,1,0,0,0,0|3,0,0]=4 2512 B16R2.132 Fc1ncc(cn1)SCc2ccccc2 62a_100000685262_100015291786 [0,1,0,0,0,0|3,0,0]=4 2513 B16R2.132 Fc1ncc(cn1)SCc2cccnc2 62a_100000685262_100000741622 [0,1,0,0,0,0|3,0,0]=4 2514 B16R2.132 Fc1ncc(cn1)SCc2cccnc2 62a_100000741622_100000685262 [0,1,0,0,0,0|3,0,0]=4 2515 B16R2.132 Ic1ccc(cc1)CNc2ccccc2 207a_100000106764_100000188517 [0,1,0,0,0,0|1,0,0]=2 2516 B16R2.132 Ic1ccc(cc1)CNc2ccccc2 270302a_100000106764_100000188517 [0,1,0,0,0,0|1,0,0]=2 2517 B16R2.132 Ic1ccc(cc1)CNc2ccccc2 34a_100000106764_100000189116 [0,1,0,0,0,0|1,0,0]=2 2518 B16R2.132 Ic1ccc(cc1)CNc2cccnn2 27a_100016989417_100016991348 [0,1,0,0,0,0|3,0,0]=4 2519 B16R2.132 Ic1ccc(cc1)CNc2ccncn2 27a_100016989417_100000703185 [0,1,0,0,0,0|3,0,0]=4 2520 B16R2.132 Ic1ccc(cc1)CNc2cnccn2 27a_100016989417_100000211759 [0,1,0,0,0,0|3,0,0]=4 2521 B16R2.132 Ic1ccc(cc1)CNc2ncccn2 27a_100016989417_100000211032 [0,1,0,0,0,0|3,0,0]=4 2522 B16R2.132 Ic1ccc(cc1)COc2ccccc2 34a_100000210340_100000189116 [0,1,0,0,0,0|2,0,0]=3 2523 B16R2.132 Ic1ccc(cc1)COc2ccccc2 7a_100000210340_100000189116 [0,1,0,0,0,0|2,0,0]=3 2524 B16R2.132 Ic1ccc(cc1)COc2cccnc2 34a_100000210849_100000189116 [0,1,0,0,0,0|2,0,0]=3 2525 B16R2.132 Ic1ccc(cc1)COc2cccnc2 7a_100000210849_100000189116 [0,1,0,0,0,0|2,0,0]=3 2526 B16R2.132 Ic1ccc(cc1)COc2ccncc2 34a_100000212176_100000189116 [0,1,0,0,0,0|3,0,0]=4 2527 B16R2.132 Ic1ccc(cc1)COc2ccnnc2 34a_100015204005_100000189116 [0,1,0,0,0,0|3,0,0]=4 2528 B16R2.132 Ic1ccc(cc1)COc2cncnc2 7a_100000754086_100000189116 [0,1,0,0,0,0|3,0,0]=4 2529 B16R2.132 Ic1ccc(cc1)CSc2ccccc2 62a_100000189116_100000041952 [0,1,0,0,0,0|2,0,0]=3 2530 B16R2.132 Ic1ccc(cc1)CSc2ccccc2 62a_100000719477_100000189116 [0,1,0,0,0,0|2,0,0]=3 2531 B16R2.132 Ic1ccc(cc1)CSc2ccccn2 62a_100000189116_100011216584 [0,1,0,0,0,0|3,0,0]=4 2532 B16R2.132 Ic1ccc(cc1)CSc2ccccn2 62a_100011216584_100000189116 [0,1,0,0,0,0|3,0,0]=4 2533 B16R2.132 Ic1ccc(cc1)CSc2cccnc2 62a_100000189116_100000210063 [0,1,0,0,0,0|2,0,0]=3 2534 B16R2.132 Ic1ccc(cc1)CSc2cccnc2 62a_100000210063_100000189116 [0,1,0,0,0,0|2,0,0]=3 2535 B16R2.132 Ic1ccc(cc1)CSc2cccnn2 62a_100000189116_100016991348 [0,1,0,0,0,0|3,0,0]=4 2536 B16R2.132 Ic1ccc(cc1)CSc2cccnn2 62a_100016991348_100000189116 [0,1,0,0,0,0|3,0,0]=4 2537 B16R2.132 Ic1ccc(cc1)CSc2ccncc2 62a_100000189116_100000728582 [0,1,0,0,0,0|3,0,0]=4 2538 B16R2.132 Ic1ccc(cc1)CSc2ccncc2 62a_100000728582_100000189116 [0,1,0,0,0,0|3,0,0]=4 2539 B16R2.132 Ic1ccc(cc1)CSc2ccnnc2 62a_100000189116_100000732662 [0,1,0,0,0,0|3,0,0]=4 2540 B16R2.132 Ic1ccc(cc1)CSc2ccnnc2 62a_100000732662_100000189116 [0,1,0,0,0,0|3,0,0]=4 2541 B16R2.132 Ic1ccc(cc1)CSc2cnccn2 62a_100000189116_100000211759 [0,1,0,0,0,0|3,0,0]=4 2542 B16R2.132 Ic1ccc(cc1)CSc2cnccn2 62a_100000211759_100000189116 [0,1,0,0,0,0|3,0,0]=4 2543 B16R2.132 Ic1ccc(cc1)CSc2cncnc2 62a_100000189116_100011206942 [0,1,0,0,0,0|3,0,0]=4 2544 B16R2.132 Ic1ccc(cc1)CSc2cncnc2 62a_100011206942_100000189116 [0,1,0,0,0,0|3,0,0]=4 2545 B16R2.132 Ic1ccc(cc1)NCc2ccccc2 207a_100000185761_100015611070 [0,1,0,0,0,0|1,0,0]=2 2546 B16R2.132 Ic1ccc(cc1)NCc2ccccc2 270302a_100000185761_100015611070 [0,1,0,0,0,0|1,0,0]=2 2547 B16R2.132 Ic1ccc(cc1)NCc2ccccc2 34a_100000185761_100015291786 [0,1,0,0,0,0|1,0,0]=2 2548 B16R2.132 Ic1ccc(cc1)NCc2ccccn2 207a_100000185761_100000209966 [0,1,0,0,0,0|2,0,0]=3 2549 B16R2.132 Ic1ccc(cc1)NCc2ccccn2 270302a_100000185761_100000209966 [0,1,0,0,0,0|2,0,0]=3 2550 B16R2.132 Ic1ccc(cc1)NCc2ccccn2 34a_100000185761_100000721315 [0,1,0,0,0,0|2,0,0]=3 2551 B16R2.132 Ic1ccc(cc1)NCc2cccnc2 207a_100000185761_100000209961 [0,1,0,0,0,0|0,0,0]=1 2552 B16R2.132 Ic1ccc(cc1)NCc2cccnc2 270302a_100000185761_100000209961 [0,1,0,0,0,0|0,0,0]=1 2553 B16R2.132 Ic1ccc(cc1)NCc2cccnc2 34a_100000185761_100000733263 [0,1,0,0,0,0|0,0,0]=1 2554 B16R2.132 Ic1ccc(cc1)NCc2cccnn2 34a_100000185761_100016990269 [0,1,0,0,0,0|1,0,0]=2 2555 B16R2.132 Ic1ccc(cc1)NCc2ccncc2 207a_100000185761_100000186114 [0,1,0,0,0,0|2,0,0]=3 2556 B16R2.132 Ic1ccc(cc1)NCc2ccnnc2 270302a_100000185761_100011934578 [0,1,0,0,0,0|1,0,0]=2 2557 B16R2.132 Ic1ccc(cc1)NCc2cnccn2 34a_100000185761_100016995436 [0,1,0,0,0,0|1,0,0]=2 2558 B16R2.132 Ic1ccc(cc1)NCc2cncnc2 270302a_100000185761_100000749868 [0,1,0,0,0,0|1,0,0]=2 2559 B16R2.132 Ic1ccc(cc1)NCc2cncnc2 34a_100000185761_100015196519 [0,1,0,0,0,0|1,0,0]=2 2560 B16R2.132 Ic1ccc(cc1)NCc2ncccn2 34a_100000185761_100000703007 [0,1,0,0,0,0|3,0,0]=4 2561 B16R2.132 Ic1ccc(cc1)OCc2ccccc2 34a_100000212066_100015291786 [0,1,0,0,0,0|2,0,0]=3 2562 B16R2.132 Ic1ccc(cc1)OCc2ccccc2 7a_100000212066_100000211182 [0,1,0,0,0,0|2,0,0]=3 2563 B16R2.132 Ic1ccc(cc1)OCc2ccccn2 34a_100000212066_100000721315 [0,1,0,0,0,0|3,0,0]=4 2564 B16R2.132 Ic1ccc(cc1)OCc2ccccn2 7a_100000212066_100000721315 [0,1,0,0,0,0|3,0,0]=4 2565 B16R2.132 Ic1ccc(cc1)OCc2cccnc2 34a_100000212066_100000733263 [0,1,0,0,0,0|1,0,0]=2 2566 B16R2.132 Ic1ccc(cc1)OCc2cccnc2 7a_100000212066_100000741622 [0,1,0,0,0,0|1,0,0]=2 2567 B16R2.132 Ic1ccc(cc1)OCc2cccnn2 34a_100000212066_100016990269 [0,1,0,0,0,0|2,0,0]=3 2568 B16R2.132 Ic1ccc(cc1)OCc2cccnn2 7a_100000212066_100016990269 [0,1,0,0,0,0|2,0,0]=3 2569 B16R2.132 Ic1ccc(cc1)OCc2ccncc2 7a_100000212066_100015193705 [0,1,0,0,0,0|3,0,0]=4 2570 B16R2.132 Ic1ccc(cc1)OCc2cnccn2 34a_100000212066_100016995436 [0,1,0,0,0,0|2,0,0]=3 2571 B16R2.132 Ic1ccc(cc1)OCc2cnccn2 7a_100000212066_100016995436 [0,1,0,0,0,0|2,0,0]=3 2572 B16R2.132 Ic1ccc(cc1)OCc2cncnc2 34a_100000212066_100015196519 [0,1,0,0,0,0|2,0,0]=3 2573 B16R2.132 Ic1ccc(cc1)OCc2cncnc2 7a_100000212066_100015196519 [0,1,0,0,0,0|2,0,0]=3 2574 B16R2.132 Ic1ccc(cn1)OCc2ccccc2 34a_100000687607_100015291786 [0,1,0,0,0,0|2,0,0]=3 2575 B16R2.132 Ic1ccc(cn1)OCc2ccccc2 7a_100000687607_100000211182 [0,1,0,0,0,0|2,0,0]=3 2576 B16R2.132 Ic1ccc(cn1)OCc2ccccn2 34a_100000687607_100000721315 [0,1,0,0,0,0|3,0,0]=4 2577 B16R2.132 Ic1ccc(cn1)OCc2ccccn2 7a_100000687607_100000721315 [0,1,0,0,0,0|3,0,0]=4 2578 B16R2.132 Ic1ccc(cn1)OCc2cccnc2 34a_100000687607_100000733263 [0,1,0,0,0,0|2,0,0]=3 2579 B16R2.132 Ic1ccc(cn1)OCc2cccnc2 7a_100000687607_100000741622 [0,1,0,0,0,0|2,0,0]=3 2580 B16R2.132 Ic1ccc(cn1)OCc2cccnn2 34a_100000687607_100016990269 [0,1,0,0,0,0|3,0,0]=4 2581 B16R2.132 Ic1ccc(cn1)OCc2cccnn2 7a_100000687607_100016990269 [0,1,0,0,0,0|3,0,0]=4 2582 B16R2.132 Ic1ccc(cn1)OCc2ccncc2 7a_100000687607_100015193705 [0,1,0,0,0,0|3,0,0]=4 2583 B16R2.132 Ic1ccc(cn1)OCc2cnccn2 34a_100000687607_100016995436 [0,1,0,0,0,0|3,0,0]=4 2584 B16R2.132 Ic1ccc(cn1)OCc2cnccn2 7a_100000687607_100016995436 [0,1,0,0,0,0|3,0,0]=4 2585 B16R2.132 Ic1ccc(cn1)OCc2cncnc2 34a_100000687607_100015196519 [0,1,0,0,0,0|3,0,0]=4 2586 B16R2.132 Ic1ccc(cn1)OCc2cncnc2 7a_100000687607_100015196519 [0,1,0,0,0,0|3,0,0]=4 2587 B16R2.132 Nc1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100000185761 [0,1,0,0,0,0|2,0,1]=4 2588 B16R2.132 Nc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000185761 [0,1,0,0,0,0|2,0,1]=4 2589 B16R2.132 Nc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000185761 [0,1,0,0,0,0|1,0,1]=3 2590 B16R2.132 Nc1ccc(cc1)OCc2ccccc2 34a_100000185829_100015291786 [0,1,0,0,0,0|2,0,0]=3 2591 B16R2.132 Nc1ccc(cc1)OCc2ccccn2 34a_100000185829_100000721315 [0,1,0,0,0,0|3,0,0]=4 2592 B16R2.132 Nc1ccc(cc1)OCc2cccnc2 34a_100000185829_100000733263 [0,1,0,0,0,0|1,0,0]=2 2593 B16R2.132 Nc1ccc(cc1)OCc2cccnn2 34a_100000185829_100016990269 [0,1,0,0,0,0|2,0,0]=3 2594 B16R2.132 Nc1ccc(cc1)OCc2cnccn2 34a_100000185829_100016995436 [0,1,0,0,0,0|2,0,0]=3 2595 B16R2.132 Nc1ccc(cc1)OCc2cncnc2 34a_100000185829_100015196519 [0,1,0,0,0,0|2,0,0]=3 2596 B16R2.132 Nc1ccc(cc1)SCc2ccccc2 62a_100000185761_100015291786 [0,1,0,0,0,0|2,0,0]=3 2597 B16R2.132 Nc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000185761 [0,1,0,0,0,0|2,0,0]=3 2598 B16R2.132 Nc1ccc(cc1)SCc2ccccn2 62a_100000185761_100000721315 [0,1,0,0,0,0|3,0,0]=4 2599 B16R2.132 Nc1ccc(cc1)SCc2ccccn2 62a_100000721315_100000185761 [0,1,0,0,0,0|3,0,0]=4 2600 B16R2.132 Nc1ccc(cc1)SCc2cccnc2 62a_100000185761_100000741622 [0,1,0,0,0,0|1,0,0]=2 2601 B16R2.132 Nc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000185761 [0,1,0,0,0,0|1,0,0]=2 2602 B16R2.132 Nc1ccc(cc1)SCc2cccnn2 62a_100000185761_100016990269 [0,1,0,0,0,0|2,0,0]=3 2603 B16R2.132 Nc1ccc(cc1)SCc2cccnn2 62a_100016990269_100000185761 [0,1,0,0,0,0|2,0,0]=3 2604 B16R2.132 Nc1ccc(cc1)SCc2ccncc2 62a_100000185761_100015193705 [0,1,0,0,0,0|3,0,0]=4 2605 B16R2.132 Nc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000185761 [0,1,0,0,0,0|3,0,0]=4 2606 B16R2.132 Nc1ccc(cc1)SCc2cnccn2 62a_100000185761_100016995436 [0,1,0,0,0,0|2,0,0]=3 2607 B16R2.132 Nc1ccc(cc1)SCc2cnccn2 62a_100016995436_100000185761 [0,1,0,0,0,0|2,0,0]=3 2608 B16R2.132 Nc1ccc(cc1)SCc2cncnc2 62a_100000185761_100015196519 [0,1,0,0,0,0|2,0,0]=3 2609 B16R2.132 Nc1ccc(cc1)SCc2cncnc2 62a_100015196519_100000185761 [0,1,0,0,0,0|2,0,0]=3 2610 B16R2.132 Nc1ccc(cn1)C#Cc2ccccc2 271570a_100000069678_100000187370 [0,1,0,0,0,0|1,0,1]=3 2611 B16R2.132 Nc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100000187370 [0,1,0,0,0,0|1,0,1]=3 2612 B16R2.132 Nc1ccc(cn1)C=Cc2cccnc2 271570a_100102525586_100000187370 [0,1,0,0,0,0|2,0,1]=4 2613 B16R2.132 Nc1ccc(cn1)OCc2ccccc2 34a_100015188713_100015291786 [0,1,0,0,0,0|2,0,0]=3 2614 B16R2.132 Nc1ccc(cn1)OCc2ccccc2 7a_100015188713_100000211182 [0,1,0,0,0,0|2,0,0]=3 2615 B16R2.132 Nc1ccc(cn1)OCc2ccccn2 34a_100015188713_100000721315 [0,1,0,0,0,0|3,0,0]=4 2616 B16R2.132 Nc1ccc(cn1)OCc2ccccn2 7a_100015188713_100000721315 [0,1,0,0,0,0|3,0,0]=4 2617 B16R2.132 Nc1ccc(cn1)OCc2cccnc2 34a_100015188713_100000733263 [0,1,0,0,0,0|2,0,0]=3 2618 B16R2.132 Nc1ccc(cn1)OCc2cccnc2 7a_100015188713_100000741622 [0,1,0,0,0,0|2,0,0]=3 2619 B16R2.132 Nc1ccc(cn1)OCc2cccnn2 34a_100015188713_100016990269 [0,1,0,0,0,0|3,0,0]=4 2620 B16R2.132 Nc1ccc(cn1)OCc2cccnn2 7a_100015188713_100016990269 [0,1,0,0,0,0|3,0,0]=4 2621 B16R2.132 Nc1ccc(cn1)OCc2ccncc2 7a_100015188713_100015193705 [0,1,0,0,0,0|3,0,0]=4 2622 B16R2.132 Nc1ccc(cn1)OCc2cnccn2 34a_100015188713_100016995436 [0,1,0,0,0,0|3,0,0]=4 2623 B16R2.132 Nc1ccc(cn1)OCc2cnccn2 7a_100015188713_100016995436 [0,1,0,0,0,0|3,0,0]=4 2624 B16R2.132 Nc1ccc(cn1)OCc2cncnc2 34a_100015188713_100015196519 [0,1,0,0,0,0|3,0,0]=4 2625 B16R2.132 Nc1ccc(cn1)OCc2cncnc2 7a_100015188713_100015196519 [0,1,0,0,0,0|3,0,0]=4 2626 B16R2.132 Nc1ccc(cn1)SCc2ccccc2 62a_100000187370_100015291786 [0,1,0,0,0,0|2,0,0]=3 2627 B16R2.132 Nc1ccc(cn1)SCc2ccccc2 62a_100000211182_100000187370 [0,1,0,0,0,0|2,0,0]=3 2628 B16R2.132 Nc1ccc(cn1)SCc2ccccn2 62a_100000187370_100000721315 [0,1,0,0,0,0|3,0,0]=4 2629 B16R2.132 Nc1ccc(cn1)SCc2ccccn2 62a_100000721315_100000187370 [0,1,0,0,0,0|3,0,0]=4 2630 B16R2.132 Nc1ccc(cn1)SCc2cccnc2 62a_100000187370_100000741622 [0,1,0,0,0,0|2,0,0]=3 2631 B16R2.132 Nc1ccc(cn1)SCc2cccnc2 62a_100000741622_100000187370 [0,1,0,0,0,0|2,0,0]=3 2632 B16R2.132 Nc1ccc(cn1)SCc2cccnn2 62a_100000187370_100016990269 [0,1,0,0,0,0|3,0,0]=4 2633 B16R2.132 Nc1ccc(cn1)SCc2cccnn2 62a_100016990269_100000187370 [0,1,0,0,0,0|3,0,0]=4 2634 B16R2.132 Nc1ccc(cn1)SCc2ccncc2 62a_100000187370_100015193705 [0,1,0,0,0,0|3,0,0]=4 2635 B16R2.132 Nc1ccc(cn1)SCc2ccncc2 62a_100015193705_100000187370 [0,1,0,0,0,0|3,0,0]=4 2636 B16R2.132 Nc1ccc(cn1)SCc2cnccn2 62a_100000187370_100016995436 [0,1,0,0,0,0|3,0,0]=4 2637 B16R2.132 Nc1ccc(cn1)SCc2cnccn2 62a_100016995436_100000187370 [0,1,0,0,0,0|3,0,0]=4 2638 B16R2.132 Nc1ccc(cn1)SCc2cncnc2 62a_100000187370_100015196519 [0,1,0,0,0,0|3,0,0]=4 2639 B16R2.132 Nc1ccc(cn1)SCc2cncnc2 62a_100015196519_100000187370 [0,1,0,0,0,0|3,0,0]=4 2640 B16R2.132 Nc1ccc(nc1)C=Cc2cccnc2 271570a_100102525586_100000744251 [0,1,0,0,0,0|2,0,1]=4 2641 B16R2.132 Nc1ccc(nc1)OCc2ccccc2 34a_100000729260_100015291786 [0,1,0,0,0,0|3,0,0]=4 2642 B16R2.132 Nc1ccc(nc1)OCc2cccnc2 34a_100000729260_100000733263 [0,1,0,0,0,0|2,0,0]=3 2643 B16R2.132 Nc1ccc(nc1)OCc2cccnn2 34a_100000729260_100016990269 [0,1,0,0,0,0|3,0,0]=4 2644 B16R2.132 Nc1ccc(nc1)OCc2cnccn2 34a_100000729260_100016995436 [0,1,0,0,0,0|3,0,0]=4 2645 B16R2.132 Nc1ccc(nc1)OCc2cncnc2 34a_100000729260_100015196519 [0,1,0,0,0,0|3,0,0]=4 2646 B16R2.132 Nc1ccc(nc1)SCc2ccccc2 62a_100000211182_100000737798 [0,1,0,0,0,0|3,0,0]=4 2647 B16R2.132 Nc1ccc(nc1)SCc2ccccc2 62a_100000737798_100015291786 [0,1,0,0,0,0|3,0,0]=4 2648 B16R2.132 Nc1ccc(nc1)SCc2cccnc2 62a_100000737798_100000741622 [0,1,0,0,0,0|2,0,0]=3 2649 B16R2.132 Nc1ccc(nc1)SCc2cccnc2 62a_100000741622_100000737798 [0,1,0,0,0,0|2,0,0]=3 2650 B16R2.132 Nc1ccc(nc1)SCc2cccnn2 62a_100000737798_100016990269 [0,1,0,0,0,0|3,0,0]=4 2651 B16R2.132 Nc1ccc(nc1)SCc2cccnn2 62a_100016990269_100000737798 [0,1,0,0,0,0|3,0,0]=4 2652 B16R2.132 Nc1ccc(nc1)SCc2cnccn2 62a_100000737798_100016995436 [0,1,0,0,0,0|3,0,0]=4 2653 B16R2.132 Nc1ccc(nc1)SCc2cnccn2 62a_100016995436_100000737798 [0,1,0,0,0,0|3,0,0]=4 2654 B16R2.132 Nc1ccc(nc1)SCc2cncnc2 62a_100000737798_100015196519 [0,1,0,0,0,0|3,0,0]=4 2655 B16R2.132 Nc1ccc(nc1)SCc2cncnc2 62a_100015196519_100000737798 [0,1,0,0,0,0|3,0,0]=4 2656 B16R2.132 Nc1ccc(nn1)C#Cc2ccccc2 271570a_100000069678_100009816609 [0,1,0,0,0,0|2,0,1]=4 2657 B16R2.132 Nc1ccc(nn1)C=Cc2ccccc2 271570a_100102527694_100009816609 [0,1,0,0,0,0|2,0,1]=4 2658 B16R2.132 Nc1ccc(nn1)SCc2ccccc2 62a_100000211182_100010219413 [0,1,0,0,0,0|3,0,0]=4 2659 B16R2.132 Nc1ccc(nn1)SCc2ccccc2 62a_100010219413_100015291786 [0,1,0,0,0,0|3,0,0]=4 2660 B16R2.132 Nc1ccc(nn1)SCc2cccnc2 62a_100000741622_100010219413 [0,1,0,0,0,0|3,0,0]=4 2661 B16R2.132 Nc1ccc(nn1)SCc2cccnc2 62a_100010219413_100000741622 [0,1,0,0,0,0|3,0,0]=4 2662 B16R2.132 Nc1cnc(cn1)C#Cc2ccccc2 271570a_100000069678_100000761932 [0,1,0,0,0,0|2,0,1]=4 2663 B16R2.132 Nc1cnc(cn1)C=Cc2ccccc2 271570a_100102527694_100000761932 [0,1,0,0,0,0|2,0,1]=4 2664 B16R2.132 Nc1cnc(cn1)SCc2ccccc2 62a_100000211182_100000744751 [0,1,0,0,0,0|3,0,0]=4 2665 B16R2.132 Nc1cnc(cn1)SCc2ccccc2 62a_100000744751_100015291786 [0,1,0,0,0,0|3,0,0]=4 2666 B16R2.132 Nc1cnc(cn1)SCc2cccnc2 62a_100000741622_100000744751 [0,1,0,0,0,0|3,0,0]=4 2667 B16R2.132 Nc1cnc(cn1)SCc2cccnc2 62a_100000744751_100000741622 [0,1,0,0,0,0|3,0,0]=4 2668 B16R2.132 Nc1cnc(nc1)SCc2cccnc2 62a_100000068403_100000741622 [0,1,0,0,0,0|3,0,0]=4 2669 B16R2.132 Nc1cnc(nc1)SCc2cccnc2 62a_100000741622_100000068403 [0,1,0,0,0,0|3,0,0]=4 2670 B16R2.132 Nc1ncc(cn1)C#Cc2ccccc2 271570a_100000069678_100000760574 [0,1,0,0,0,0|2,0,1]=4 2671 B16R2.132 Nc1ncc(cn1)C=Cc2ccccc2 271570a_100102527694_100000760574 [0,1,0,0,0,0|2,0,1]=4 2672 B16R2.132 Nc1ncc(cn1)OCc2ccccc2 34a_100000087137_100015291786 [0,1,0,0,0,0|3,0,0]=4 2673 B16R2.132 Nc1ncc(cn1)OCc2ccccc2 7a_100000087137_100000211182 [0,1,0,0,0,0|3,0,0]=4 2674 B16R2.132 Nc1ncc(cn1)OCc2cccnc2 34a_100000087137_100000733263 [0,1,0,0,0,0|3,0,0]=4 2675 B16R2.132 Nc1ncc(cn1)OCc2cccnc2 7a_100000087137_100000741622 [0,1,0,0,0,0|3,0,0]=4 2676 B16R2.132 Nc1ncc(cn1)SCc2ccccc2 62a_100000211182_100000766020 [0,1,0,0,0,0|3,0,0]=4 2677 B16R2.132 Nc1ncc(cn1)SCc2ccccc2 62a_100000766020_100015291786 [0,1,0,0,0,0|3,0,0]=4 2678 B16R2.132 Nc1ncc(cn1)SCc2cccnc2 62a_100000741622_100000766020 [0,1,0,0,0,0|3,0,0]=4 2679 B16R2.132 Nc1ncc(cn1)SCc2cccnc2 62a_100000766020_100000741622 [0,1,0,0,0,0|3,0,0]=4 2680 B16R2.132 Nc1ncc(nn1)NCc2cccnc2 27a_100000210453_100000691435 [0,1,0,0,0,0|3,0,0]=4 2681 B16R2.132 O=c1ccc(c[nH]1)C#Cc2ccccc2 271570a_100000069678_100000212171 [0,1,0,0,0,0|1,0,2]=4 2682 B16R2.132 O=c1ccc(c[nH]1)C=Cc2ccccc2 271570a_100102527694_100000212171 [0,1,0,0,0,0|1,0,2]=4 2683 B16R2.132 O=c1ccc(c[nH]1)C=Cc2cccnc2 271570a_100102525586_100000212171 [0,1,0,0,0,0|2,0,1]=4 2684 B16R2.132 O=c1ccc(c[nH]1)OCc2ccccc2 34a_100000075641_100015291786 [0,1,0,0,0,0|2,0,1]=4 2685 B16R2.132 O=c1ccc(c[nH]1)OCc2cccnc2 34a_100000075641_100000733263 [0,1,0,0,0,0|2,0,0]=3 2686 B16R2.132 O=c1ccc(c[nH]1)OCc2cccnn2 34a_100000075641_100016990269 [0,1,0,0,0,0|3,0,0]=4 2687 B16R2.132 O=c1ccc(c[nH]1)OCc2cnccn2 34a_100000075641_100016995436 [0,1,0,0,0,0|3,0,0]=4 2688 B16R2.132 O=c1ccc(c[nH]1)OCc2cncnc2 34a_100000075641_100015196519 [0,1,0,0,0,0|3,0,0]=4 2689 B16R2.132 O=c1ccc(c[nH]1)SCc2ccccc2 62a_100000211182_100000212171 [0,1,0,0,0,0|2,0,1]=4 2690 B16R2.132 O=c1ccc(c[nH]1)SCc2ccccc2 62a_100000212171_100015291786 [0,1,0,0,0,0|2,0,1]=4 2691 B16R2.132 O=c1ccc(c[nH]1)SCc2cccnc2 62a_100000212171_100000741622 [0,1,0,0,0,0|2,0,0]=3 2692 B16R2.132 O=c1ccc(c[nH]1)SCc2cccnc2 62a_100000741622_100000212171 [0,1,0,0,0,0|2,0,0]=3 2693 B16R2.132 O=c1ccc(c[nH]1)SCc2cccnn2 62a_100000212171_100016990269 [0,1,0,0,0,0|3,0,0]=4 2694 B16R2.132 O=c1ccc(c[nH]1)SCc2cccnn2 62a_100016990269_100000212171 [0,1,0,0,0,0|3,0,0]=4 2695 B16R2.132 O=c1ccc(c[nH]1)SCc2cnccn2 62a_100000212171_100016995436 [0,1,0,0,0,0|3,0,0]=4 2696 B16R2.132 O=c1ccc(c[nH]1)SCc2cnccn2 62a_100016995436_100000212171 [0,1,0,0,0,0|3,0,0]=4 2697 B16R2.132 O=c1ccc(c[nH]1)SCc2cncnc2 62a_100000212171_100015196519 [0,1,0,0,0,0|3,0,0]=4 2698 B16R2.132 O=c1ccc(c[nH]1)SCc2cncnc2 62a_100015196519_100000212171 [0,1,0,0,0,0|3,0,0]=4 2699 B16R2.132 O=c1ccc(n[nH]1)CNc2ccccc2 207a_100000106764_100011361533 [0,1,0,0,0,0|1,0,1]=3 2700 B16R2.132 O=c1ccc(n[nH]1)SCc2cccnc2 62a_100000741622_100009820020 [0,1,0,0,0,0|3,0,0]=4 2701 B16R2.132 O=c1ccc(n[nH]1)SCc2cccnc2 62a_100009820020_100000741622 [0,1,0,0,0,0|3,0,0]=4 2702 B16R2.132 O=c1ncc(c[nH]1)C#Cc2ccccc2 271570a_100000069678_102495366499 [0,1,0,0,0,0|2,0,1]=4 2703 B16R2.132 O=c1ncc(c[nH]1)C=Cc2ccccc2 271570a_100102527694_102495366499 [0,1,0,0,0,0|2,0,1]=4 2704 B16R2.132 O=c1ncc(c[nH]1)SCc2ccccc2 62a_100000211182_102495366499 [0,1,0,0,0,0|3,0,0]=4 2705 B16R2.132 O=c1ncc(c[nH]1)SCc2ccccc2 62a_102495366499_100015291786 [0,1,0,0,0,0|3,0,0]=4 2706 B16R2.132 O=c1ncc(c[nH]1)SCc2cccnc2 62a_100000741622_102495366499 [0,1,0,0,0,0|3,0,0]=4 2707 B16R2.132 O=c1ncc(c[nH]1)SCc2cccnc2 62a_102495366499_100000741622 [0,1,0,0,0,0|3,0,0]=4 2708 B16R2.132 Oc1ccc(cc1)/C=C/c2ccccc2 271570a_203496583355_100016990502 [0,1,0,0,0,0|2,0,1]=4 2709 B16R2.132 Oc1ccc(cc1)/N=N/c2ccccc2 271570a_203496583355_100029724385 [0,1,0,0,0,0|2,0,1]=4 2710 B16R2.132 Oc1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100000185759 [0,1,0,0,0,0|2,0,1]=4 2711 B16R2.132 Oc1ccc(cc1)C#Cc2ccccc2 271570a_203496583355_100010000412 [0,1,0,0,0,0|2,0,1]=4 2712 B16R2.132 Oc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000185759 [0,1,0,0,0,0|2,0,1]=4 2713 B16R2.132 Oc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000185759 [0,1,0,0,0,0|1,0,1]=3 2714 B16R2.132 Oc1ccc(cc1)CNc2cccnn2 27a_100000185549_100016991348 [0,1,0,0,0,0|3,0,0]=4 2715 B16R2.132 Oc1ccc(cc1)CNc2ccncn2 27a_100000185549_100000703185 [0,1,0,0,0,0|3,0,0]=4 2716 B16R2.132 Oc1ccc(cc1)CNc2cnccn2 27a_100000185549_100000211759 [0,1,0,0,0,0|3,0,0]=4 2717 B16R2.132 Oc1ccc(cc1)CNc2ncccn2 27a_100000185549_100000211032 [0,1,0,0,0,0|3,0,0]=4 2718 B16R2.132 Oc1ccc(cc1)NCc2ccccc2 270302a_100000185829_100015611070 [0,1,0,0,0,0|1,0,0]=2 2719 B16R2.132 Oc1ccc(cc1)NCc2ccccc2 271570a_203496583355_100000187040 [0,1,0,0,0,0|1,0,0]=2 2720 B16R2.132 Oc1ccc(cc1)NCc2ccccc2 34a_100000185829_100015291786 [0,1,0,0,0,0|1,0,0]=2 2721 B16R2.132 Oc1ccc(cc1)NCc2ccccn2 270302a_100000185829_100000209966 [0,1,0,0,0,0|2,0,0]=3 2722 B16R2.132 Oc1ccc(cc1)NCc2ccccn2 271570a_203496583355_100000238286 [0,1,0,0,0,0|2,0,0]=3 2723 B16R2.132 Oc1ccc(cc1)NCc2ccccn2 34a_100000185829_100000721315 [0,1,0,0,0,0|2,0,0]=3 2724 B16R2.132 Oc1ccc(cc1)NCc2cccnc2 270302a_100000185829_100000209961 [0,1,0,0,0,0|0,0,0]=1 2725 B16R2.132 Oc1ccc(cc1)NCc2cccnc2 271570a_203496583355_100000189165 [0,1,0,0,0,0|0,0,0]=1 2726 B16R2.132 Oc1ccc(cc1)NCc2cccnc2 34a_100000185829_100000733263 [0,1,0,0,0,0|0,0,0]=1 2727 B16R2.132 Oc1ccc(cc1)NCc2cccnn2 34a_100000185829_100016990269 [0,1,0,0,0,0|1,0,0]=2 2728 B16R2.132 Oc1ccc(cc1)NCc2ccnnc2 270302a_100000185829_100011934578 [0,1,0,0,0,0|1,0,0]=2 2729 B16R2.132 Oc1ccc(cc1)NCc2cnccn2 34a_100000185829_100016995436 [0,1,0,0,0,0|1,0,0]=2 2730 B16R2.132 Oc1ccc(cc1)NCc2cncnc2 270302a_100000185829_100000749868 [0,1,0,0,0,0|1,0,0]=2 2731 B16R2.132 Oc1ccc(cc1)NCc2cncnc2 34a_100000185829_100015196519 [0,1,0,0,0,0|1,0,0]=2 2732 B16R2.132 Oc1ccc(cc1)NCc2ncccn2 34a_100000185829_100000703007 [0,1,0,0,0,0|3,0,0]=4 2733 B16R2.132 Oc1ccc(cc1)OCc2ccccc2 271570a_203496583355_100000151783 [0,1,0,0,0,0|2,0,0]=3 2734 B16R2.132 Oc1ccc(cc1)SCc2ccccc2 271570a_203496583355_100009811532 [0,1,0,0,0,0|2,0,0]=3 2735 B16R2.132 Oc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000185759 [0,1,0,0,0,0|2,0,0]=3 2736 B16R2.132 Oc1ccc(cc1)SCc2ccccn2 62a_100000721315_100000185759 [0,1,0,0,0,0|3,0,0]=4 2737 B16R2.132 Oc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000185759 [0,1,0,0,0,0|1,0,0]=2 2738 B16R2.132 Oc1ccc(cc1)SCc2cccnn2 62a_100016990269_100000185759 [0,1,0,0,0,0|2,0,0]=3 2739 B16R2.132 Oc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000185759 [0,1,0,0,0,0|3,0,0]=4 2740 B16R2.132 Oc1ccc(cc1)SCc2cnccn2 62a_100016995436_100000185759 [0,1,0,0,0,0|2,0,0]=3 2741 B16R2.132 Oc1ccc(cc1)SCc2cncnc2 62a_100015196519_100000185759 [0,1,0,0,0,0|2,0,0]=3 2742 B16R2.132 Oc1ccc(cn1)CNc2ccccc2 207a_100000106764_100011361521 [0,1,0,0,0,0|0,0,0]=1 2743 B16R2.132 Oc1ccc(cn1)CNc2ccccc2 270302a_100000106764_100011361521 [0,1,0,0,0,0|0,0,0]=1 2744 B16R2.132 Oc1ccc(cn1)CNc2cccnn2 27a_100000757128_100016991348 [0,1,0,0,0,0|2,0,0]=3 2745 B16R2.132 Oc1ccc(cn1)CNc2ccncn2 27a_100000757128_100000703185 [0,1,0,0,0,0|2,0,0]=3 2746 B16R2.132 Oc1ccc(cn1)CNc2cnccn2 27a_100000757128_100000211759 [0,1,0,0,0,0|2,0,0]=3 2747 B16R2.132 Oc1ccc(cn1)CNc2ncccn2 27a_100000757128_100000211032 [0,1,0,0,0,0|2,0,0]=3 2748 B16R2.132 Oc1ccc(cn1)OCc2ccccc2 271570a_203496583355_200012361712 [0,1,0,0,0,0|2,0,0]=3 2749 B16R2.132 Oc1ccc(cn1)OCc2ccccn2 271570a_203496583355_100013423275 [0,1,0,0,0,0|3,0,0]=4 2750 B16R2.132 Oc1ccc(nc1)C=Cc2cccnc2 271570a_100102525586_100000685995 [0,1,0,0,0,0|2,0,1]=4 2751 B16R2.132 Oc1ccc(nc1)NCc2ccccc2 271570a_203496583355_200000239955 [0,1,0,0,0,0|2,0,0]=3 2752 B16R2.132 Oc1ccc(nc1)OCc2ccccc2 271570a_203496583355_100011465491 [0,1,0,0,0,0|3,0,0]=4 2753 B16R2.132 Oc1ccc(nc1)SCc2ccccc2 62a_100000211182_100000744096 [0,1,0,0,0,0|3,0,0]=4 2754 B16R2.132 Oc1ccc(nc1)SCc2ccccc2 62a_100000685995_100015291786 [0,1,0,0,0,0|3,0,0]=4 2755 B16R2.132 Oc1ccc(nc1)SCc2cccnc2 62a_100000685995_100000741622 [0,1,0,0,0,0|2,0,0]=3 2756 B16R2.132 Oc1ccc(nc1)SCc2cccnc2 62a_100000741622_100000744096 [0,1,0,0,0,0|2,0,0]=3 2757 B16R2.132 Oc1ccc(nc1)SCc2cccnn2 62a_100000685995_100016990269 [0,1,0,0,0,0|3,0,0]=4 2758 B16R2.132 Oc1ccc(nc1)SCc2cccnn2 62a_100016990269_100000744096 [0,1,0,0,0,0|3,0,0]=4 2759 B16R2.132 Oc1ccc(nc1)SCc2cnccn2 62a_100000685995_100016995436 [0,1,0,0,0,0|3,0,0]=4 2760 B16R2.132 Oc1ccc(nc1)SCc2cnccn2 62a_100016995436_100000744096 [0,1,0,0,0,0|3,0,0]=4 2761 B16R2.132 Oc1ccc(nc1)SCc2cncnc2 62a_100000685995_100015196519 [0,1,0,0,0,0|3,0,0]=4 2762 B16R2.132 Oc1ccc(nc1)SCc2cncnc2 62a_100015196519_100000744096 [0,1,0,0,0,0|3,0,0]=4 2763 B16R2.132 Oc1ccc(nn1)NCc2ccccc2 271570a_203496583355_200000215319 [0,1,0,0,0,0|3,0,0]=4 2764 B16R2.132 Oc1ccc(nn1)OCc2ccccc2 271570a_203496583355_100011211657 [0,1,0,0,0,0|3,0,0]=4 2765 B16R2.132 Oc1cnc(cn1)SCc2ccccc2 62a_100000211182_100015839800 [0,1,0,0,0,0|3,0,0]=4 2766 B16R2.132 Oc1cnc(cn1)SCc2ccccc2 62a_100011934580_100015291786 [0,1,0,0,0,0|3,0,0]=4 2767 B16R2.132 Oc1cnc(cn1)SCc2cccnc2 62a_100000741622_100015839800 [0,1,0,0,0,0|3,0,0]=4 2768 B16R2.132 Oc1cnc(cn1)SCc2cccnc2 62a_100011934580_100000741622 [0,1,0,0,0,0|3,0,0]=4 2769 B16R2.132 Oc1cnc(nc1)SCc2cccnc2 62a_100000730009_100000741622 [0,1,0,0,0,0|3,0,0]=4 2770 B16R2.132 Oc1cnc(nc1)SCc2cccnc2 62a_100000741622_100000092845 [0,1,0,0,0,0|3,0,0]=4 2771 B16R2.132 Oc1ncc(cn1)OCc2ccccc2 271570a_203496583355_100010205888 [0,1,0,0,0,0|3,0,0]=4 2772 B16R2.132 [O-][n+]1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000039755 [0,1,0,0,0,0|2,0,1]=4 2773 B16R2.132 [O-][n+]1ccc(cc1)SCc2ccccc2 62a_100000211182_100000039755 [0,1,0,0,0,0|3,0,0]=4 2774 B16R2.132 [O-][n+]1ccc(cc1)SCc2cccnc2 62a_100000741622_100000039755 [0,1,0,0,0,0|2,0,0]=3 2775 B16R2.132 [O-][n+]1ccc(cc1)SCc2cccnn2 62a_100016990269_100000039755 [0,1,0,0,0,0|3,0,0]=4 2776 B16R2.132 [O-][n+]1ccc(cc1)SCc2cnccn2 62a_100016995436_100000039755 [0,1,0,0,0,0|3,0,0]=4 2777 B16R2.132 [O-][n+]1ccc(cc1)SCc2cncnc2 62a_100015196519_100000039755 [0,1,0,0,0,0|3,0,0]=4 2778 B16R2.252 Brc1cc(ccn1)C=Cc2cccnc2 271570a_100102525586_100009814637 [0,1,0,0,0,0|2,0,1]=4 2779 B16R2.252 Brc1cc(ccn1)CNc2ccccc2 34a_100000106764_100010243470 [0,1,0,0,0,0|2,0,0]=3 2780 B16R2.252 Brc1cc(ccn1)COc2ccccc2 34a_100000210340_100010243470 [0,1,0,0,0,0|3,0,0]=4 2781 B16R2.252 Brc1cc(ccn1)COc2ccccc2 7a_100000210340_100010254460 [0,1,0,0,0,0|3,0,0]=4 2782 B16R2.252 Brc1cc(ccn1)COc2cccnc2 34a_100000210849_100010243470 [0,1,0,0,0,0|3,0,0]=4 2783 B16R2.252 Brc1cc(ccn1)COc2cccnc2 7a_100000210849_100010254460 [0,1,0,0,0,0|3,0,0]=4 2784 B16R2.252 Brc1cc(ccn1)CSc2ccccc2 62a_100000719477_100010243470 [0,1,0,0,0,0|3,0,0]=4 2785 B16R2.252 Brc1cc(ccn1)CSc2ccccc2 62a_100010254460_100000041952 [0,1,0,0,0,0|3,0,0]=4 2786 B16R2.252 Brc1cc(ccn1)CSc2cccnc2 62a_100000210063_100010243470 [0,1,0,0,0,0|3,0,0]=4 2787 B16R2.252 Brc1cc(ccn1)CSc2cccnc2 62a_100010254460_100000210063 [0,1,0,0,0,0|3,0,0]=4 2788 B16R2.252 Brc1cc(ccn1)SCc2ccccc2 62a_100000211182_100009814637 [0,1,0,0,0,0|3,0,0]=4 2789 B16R2.252 Brc1cc(ccn1)SCc2ccccc2 62a_100009814637_100015291786 [0,1,0,0,0,0|3,0,0]=4 2790 B16R2.252 Brc1cc(ccn1)SCc2cccnc2 62a_100000741622_100009814637 [0,1,0,0,0,0|2,0,0]=3 2791 B16R2.252 Brc1cc(ccn1)SCc2cccnc2 62a_100009814637_100000741622 [0,1,0,0,0,0|2,0,0]=3 2792 B16R2.252 Brc1cc(ccn1)SCc2cccnn2 62a_100009814637_100016990269 [0,1,0,0,0,0|3,0,0]=4 2793 B16R2.252 Brc1cc(ccn1)SCc2cccnn2 62a_100016990269_100009814637 [0,1,0,0,0,0|3,0,0]=4 2794 B16R2.252 Brc1cc(ccn1)SCc2cnccn2 62a_100009814637_100016995436 [0,1,0,0,0,0|3,0,0]=4 2795 B16R2.252 Brc1cc(ccn1)SCc2cnccn2 62a_100016995436_100009814637 [0,1,0,0,0,0|3,0,0]=4 2796 B16R2.252 Brc1cc(ccn1)SCc2cncnc2 62a_100009814637_100015196519 [0,1,0,0,0,0|3,0,0]=4 2797 B16R2.252 Brc1cc(ccn1)SCc2cncnc2 62a_100015196519_100009814637 [0,1,0,0,0,0|3,0,0]=4 2798 B16R2.252 Brc1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100000691529 [0,1,0,0,0,0|2,0,1]=4 2799 B16R2.252 Brc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000691529 [0,1,0,0,0,0|2,0,1]=4 2800 B16R2.252 Brc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000691529 [0,1,0,0,0,0|1,0,1]=3 2801 B16R2.252 Brc1cccc(c1)CNc2ccccc2 207a_100000106764_100000210085 [0,1,0,0,0,0|1,0,0]=2 2802 B16R2.252 Brc1cccc(c1)CNc2ccccc2 270302a_100000106764_100000210085 [0,1,0,0,0,0|1,0,0]=2 2803 B16R2.252 Brc1cccc(c1)CNc2ccccc2 34a_100000106764_100000698116 [0,1,0,0,0,0|1,0,0]=2 2804 B16R2.252 Brc1cccc(c1)CNc2cccnn2 27a_100000174977_100016991348 [0,1,0,0,0,0|3,0,0]=4 2805 B16R2.252 Brc1cccc(c1)CNc2ccncn2 27a_100000174977_100000703185 [0,1,0,0,0,0|3,0,0]=4 2806 B16R2.252 Brc1cccc(c1)CNc2cnccn2 27a_100000174977_100000211759 [0,1,0,0,0,0|3,0,0]=4 2807 B16R2.252 Brc1cccc(c1)CNc2ncccn2 27a_100000174977_100000211032 [0,1,0,0,0,0|3,0,0]=4 2808 B16R2.252 Brc1cccc(c1)COc2ccccc2 34a_100000210340_100000698116 [0,1,0,0,0,0|2,0,0]=3 2809 B16R2.252 Brc1cccc(c1)COc2ccccc2 7a_100000210340_100000211773 [0,1,0,0,0,0|2,0,0]=3 2810 B16R2.252 Brc1cccc(c1)COc2cccnc2 34a_100000210849_100000698116 [0,1,0,0,0,0|2,0,0]=3 2811 B16R2.252 Brc1cccc(c1)COc2cccnc2 7a_100000210849_100000211773 [0,1,0,0,0,0|2,0,0]=3 2812 B16R2.252 Brc1cccc(c1)COc2ccncc2 34a_100000212176_100000698116 [0,1,0,0,0,0|3,0,0]=4 2813 B16R2.252 Brc1cccc(c1)COc2ccnnc2 34a_100015204005_100000698116 [0,1,0,0,0,0|3,0,0]=4 2814 B16R2.252 Brc1cccc(c1)COc2cncnc2 7a_100000754086_100000211773 [0,1,0,0,0,0|3,0,0]=4 2815 B16R2.252 Brc1cccc(c1)CSc2ccccc2 62a_100000211773_100000041952 [0,1,0,0,0,0|2,0,0]=3 2816 B16R2.252 Brc1cccc(c1)CSc2ccccc2 62a_100000719477_100000211773 [0,1,0,0,0,0|2,0,0]=3 2817 B16R2.252 Brc1cccc(c1)CSc2ccccn2 62a_100000211773_100011216584 [0,1,0,0,0,0|3,0,0]=4 2818 B16R2.252 Brc1cccc(c1)CSc2ccccn2 62a_100011216584_100000211773 [0,1,0,0,0,0|3,0,0]=4 2819 B16R2.252 Brc1cccc(c1)CSc2cccnc2 62a_100000210063_100000211773 [0,1,0,0,0,0|2,0,0]=3 2820 B16R2.252 Brc1cccc(c1)CSc2cccnc2 62a_100000211773_100000210063 [0,1,0,0,0,0|2,0,0]=3 2821 B16R2.252 Brc1cccc(c1)CSc2cccnn2 62a_100000211773_100016991348 [0,1,0,0,0,0|3,0,0]=4 2822 B16R2.252 Brc1cccc(c1)CSc2cccnn2 62a_100016991348_100000211773 [0,1,0,0,0,0|3,0,0]=4 2823 B16R2.252 Brc1cccc(c1)CSc2ccncc2 62a_100000211773_100000728582 [0,1,0,0,0,0|3,0,0]=4 2824 B16R2.252 Brc1cccc(c1)CSc2ccncc2 62a_100000728582_100000211773 [0,1,0,0,0,0|3,0,0]=4 2825 B16R2.252 Brc1cccc(c1)CSc2ccnnc2 62a_100000211773_100000732662 [0,1,0,0,0,0|3,0,0]=4 2826 B16R2.252 Brc1cccc(c1)CSc2ccnnc2 62a_100000732662_100000211773 [0,1,0,0,0,0|3,0,0]=4 2827 B16R2.252 Brc1cccc(c1)CSc2cnccn2 62a_100000211759_100000211773 [0,1,0,0,0,0|3,0,0]=4 2828 B16R2.252 Brc1cccc(c1)CSc2cnccn2 62a_100000211773_100000211759 [0,1,0,0,0,0|3,0,0]=4 2829 B16R2.252 Brc1cccc(c1)CSc2cncnc2 62a_100000211773_100011206942 [0,1,0,0,0,0|3,0,0]=4 2830 B16R2.252 Brc1cccc(c1)CSc2cncnc2 62a_100011206942_100000211773 [0,1,0,0,0,0|3,0,0]=4 2831 B16R2.252 Brc1cccc(c1)NCc2ccccc2 207a_100000210019_100015611070 [0,1,0,0,0,0|1,0,0]=2 2832 B16R2.252 Brc1cccc(c1)NCc2ccccc2 270302a_100000210019_100015611070 [0,1,0,0,0,0|1,0,0]=2 2833 B16R2.252 Brc1cccc(c1)NCc2ccccc2 34a_100000210019_100015291786 [0,1,0,0,0,0|1,0,0]=2 2834 B16R2.252 Brc1cccc(c1)NCc2ccccn2 207a_100000210019_100000209966 [0,1,0,0,0,0|2,0,0]=3 2835 B16R2.252 Brc1cccc(c1)NCc2ccccn2 270302a_100000210019_100000209966 [0,1,0,0,0,0|2,0,0]=3 2836 B16R2.252 Brc1cccc(c1)NCc2ccccn2 34a_100000210019_100000721315 [0,1,0,0,0,0|2,0,0]=3 2837 B16R2.252 Brc1cccc(c1)NCc2cccnc2 207a_100000210019_100000209961 [0,1,0,0,0,0|0,0,0]=1 2838 B16R2.252 Brc1cccc(c1)NCc2cccnc2 270302a_100000210019_100000209961 [0,1,0,0,0,0|0,0,0]=1 2839 B16R2.252 Brc1cccc(c1)NCc2cccnc2 34a_100000210019_100000733263 [0,1,0,0,0,0|0,0,0]=1 2840 B16R2.252 Brc1cccc(c1)NCc2cccnn2 34a_100000210019_100016990269 [0,1,0,0,0,0|1,0,0]=2 2841 B16R2.252 Brc1cccc(c1)NCc2ccncc2 207a_100000210019_100000186114 [0,1,0,0,0,0|2,0,0]=3 2842 B16R2.252 Brc1cccc(c1)NCc2ccnnc2 270302a_100000210019_100011934578 [0,1,0,0,0,0|1,0,0]=2 2843 B16R2.252 Brc1cccc(c1)NCc2cnccn2 34a_100000210019_100016995436 [0,1,0,0,0,0|1,0,0]=2 2844 B16R2.252 Brc1cccc(c1)NCc2cncnc2 270302a_100000210019_100000749868 [0,1,0,0,0,0|1,0,0]=2 2845 B16R2.252 Brc1cccc(c1)NCc2cncnc2 34a_100000210019_100015196519 [0,1,0,0,0,0|1,0,0]=2 2846 B16R2.252 Brc1cccc(c1)NCc2ncccn2 34a_100000210019_100000703007 [0,1,0,0,0,0|3,0,0]=4 2847 B16R2.252 Brc1cccc(c1)OCc2ccccc2 34a_100000210342_100015291786 [0,1,0,0,0,0|2,0,0]=3 2848 B16R2.252 Brc1cccc(c1)OCc2ccccc2 7a_100000210342_100000211182 [0,1,0,0,0,0|2,0,0]=3 2849 B16R2.252 Brc1cccc(c1)OCc2ccccn2 34a_100000210342_100000721315 [0,1,0,0,0,0|3,0,0]=4 2850 B16R2.252 Brc1cccc(c1)OCc2ccccn2 7a_100000210342_100000721315 [0,1,0,0,0,0|3,0,0]=4 2851 B16R2.252 Brc1cccc(c1)OCc2cccnc2 34a_100000210342_100000733263 [0,1,0,0,0,0|1,0,0]=2 2852 B16R2.252 Brc1cccc(c1)OCc2cccnc2 7a_100000210342_100000741622 [0,1,0,0,0,0|1,0,0]=2 2853 B16R2.252 Brc1cccc(c1)OCc2cccnn2 34a_100000210342_100016990269 [0,1,0,0,0,0|2,0,0]=3 2854 B16R2.252 Brc1cccc(c1)OCc2cccnn2 7a_100000210342_100016990269 [0,1,0,0,0,0|2,0,0]=3 2855 B16R2.252 Brc1cccc(c1)OCc2ccncc2 7a_100000210342_100015193705 [0,1,0,0,0,0|3,0,0]=4 2856 B16R2.252 Brc1cccc(c1)OCc2cnccn2 34a_100000210342_100016995436 [0,1,0,0,0,0|2,0,0]=3 2857 B16R2.252 Brc1cccc(c1)OCc2cnccn2 7a_100000210342_100016995436 [0,1,0,0,0,0|2,0,0]=3 2858 B16R2.252 Brc1cccc(c1)OCc2cncnc2 34a_100000210342_100015196519 [0,1,0,0,0,0|2,0,0]=3 2859 B16R2.252 Brc1cccc(c1)OCc2cncnc2 7a_100000210342_100015196519 [0,1,0,0,0,0|2,0,0]=3 2860 B16R2.252 Brc1cccc(c1)SCc2ccccc2 62a_100000211182_100000691529 [0,1,0,0,0,0|2,0,0]=3 2861 B16R2.252 Brc1cccc(c1)SCc2ccccc2 62a_100000691529_100015291786 [0,1,0,0,0,0|2,0,0]=3 2862 B16R2.252 Brc1cccc(c1)SCc2ccccn2 62a_100000691529_100000721315 [0,1,0,0,0,0|3,0,0]=4 2863 B16R2.252 Brc1cccc(c1)SCc2ccccn2 62a_100000721315_100000691529 [0,1,0,0,0,0|3,0,0]=4 2864 B16R2.252 Brc1cccc(c1)SCc2cccnc2 62a_100000691529_100000741622 [0,1,0,0,0,0|1,0,0]=2 2865 B16R2.252 Brc1cccc(c1)SCc2cccnc2 62a_100000741622_100000691529 [0,1,0,0,0,0|1,0,0]=2 2866 B16R2.252 Brc1cccc(c1)SCc2cccnn2 62a_100000691529_100016990269 [0,1,0,0,0,0|2,0,0]=3 2867 B16R2.252 Brc1cccc(c1)SCc2cccnn2 62a_100016990269_100000691529 [0,1,0,0,0,0|2,0,0]=3 2868 B16R2.252 Brc1cccc(c1)SCc2ccncc2 62a_100000691529_100015193705 [0,1,0,0,0,0|3,0,0]=4 2869 B16R2.252 Brc1cccc(c1)SCc2ccncc2 62a_100015193705_100000691529 [0,1,0,0,0,0|3,0,0]=4 2870 B16R2.252 Brc1cccc(c1)SCc2cnccn2 62a_100000691529_100016995436 [0,1,0,0,0,0|2,0,0]=3 2871 B16R2.252 Brc1cccc(c1)SCc2cnccn2 62a_100016995436_100000691529 [0,1,0,0,0,0|2,0,0]=3 2872 B16R2.252 Brc1cccc(c1)SCc2cncnc2 62a_100000691529_100015196519 [0,1,0,0,0,0|2,0,0]=3 2873 B16R2.252 Brc1cccc(c1)SCc2cncnc2 62a_100015196519_100000691529 [0,1,0,0,0,0|2,0,0]=3 2874 B16R2.252 Brc1cccc(n1)C=Cc2cccnc2 271570a_100102525586_100000684672 [0,1,0,0,0,0|2,0,1]=4 2875 B16R2.252 Brc1cccc(n1)CNc2ccccc2 34a_100000106764_100009889011 [0,1,0,0,0,0|2,0,0]=3 2876 B16R2.252 Brc1cccc(n1)COc2ccccc2 34a_100000210340_100009889011 [0,1,0,0,0,0|3,0,0]=4 2877 B16R2.252 Brc1cccc(n1)COc2ccccc2 7a_100000210340_100009889011 [0,1,0,0,0,0|3,0,0]=4 2878 B16R2.252 Brc1cccc(n1)COc2cccnc2 34a_100000210849_100009889011 [0,1,0,0,0,0|3,0,0]=4 2879 B16R2.252 Brc1cccc(n1)COc2cccnc2 7a_100000210849_100009889011 [0,1,0,0,0,0|3,0,0]=4 2880 B16R2.252 Brc1cccc(n1)CSc2ccccc2 62a_100000719477_100009889011 [0,1,0,0,0,0|3,0,0]=4 2881 B16R2.252 Brc1cccc(n1)CSc2ccccc2 62a_100009889011_100000041952 [0,1,0,0,0,0|3,0,0]=4 2882 B16R2.252 Brc1cccc(n1)CSc2cccnc2 62a_100000210063_100009889011 [0,1,0,0,0,0|3,0,0]=4 2883 B16R2.252 Brc1cccc(n1)CSc2cccnc2 62a_100009889011_100000210063 [0,1,0,0,0,0|3,0,0]=4 2884 B16R2.252 Brc1cccc(n1)SCc2ccccc2 62a_100000211182_100000684672 [0,1,0,0,0,0|3,0,0]=4 2885 B16R2.252 Brc1cccc(n1)SCc2ccccc2 62a_100000684672_100015291786 [0,1,0,0,0,0|3,0,0]=4 2886 B16R2.252 Brc1cccc(n1)SCc2cccnc2 62a_100000684672_100000741622 [0,1,0,0,0,0|2,0,0]=3 2887 B16R2.252 Brc1cccc(n1)SCc2cccnc2 62a_100000741622_100000684672 [0,1,0,0,0,0|2,0,0]=3 2888 B16R2.252 Brc1cccc(n1)SCc2cccnn2 62a_100000684672_100016990269 [0,1,0,0,0,0|3,0,0]=4 2889 B16R2.252 Brc1cccc(n1)SCc2cccnn2 62a_100016990269_100000684672 [0,1,0,0,0,0|3,0,0]=4 2890 B16R2.252 Brc1cccc(n1)SCc2cnccn2 62a_100000684672_100016995436 [0,1,0,0,0,0|3,0,0]=4 2891 B16R2.252 Brc1cccc(n1)SCc2cnccn2 62a_100016995436_100000684672 [0,1,0,0,0,0|3,0,0]=4 2892 B16R2.252 Brc1cccc(n1)SCc2cncnc2 62a_100000684672_100015196519 [0,1,0,0,0,0|3,0,0]=4 2893 B16R2.252 Brc1cccc(n1)SCc2cncnc2 62a_100015196519_100000684672 [0,1,0,0,0,0|3,0,0]=4 2894 B16R2.252 Brc1ccnc(c1)CNc2ccccc2 34a_100000106764_100010173614 [0,1,0,0,0,0|2,0,0]=3 2895 B16R2.252 Brc1ccnc(c1)COc2ccccc2 34a_100000210340_100010173614 [0,1,0,0,0,0|3,0,0]=4 2896 B16R2.252 Brc1ccnc(c1)COc2ccccc2 7a_100000210340_100010173614 [0,1,0,0,0,0|3,0,0]=4 2897 B16R2.252 Brc1ccnc(c1)COc2cccnc2 34a_100000210849_100010173614 [0,1,0,0,0,0|3,0,0]=4 2898 B16R2.252 Brc1ccnc(c1)COc2cccnc2 7a_100000210849_100010173614 [0,1,0,0,0,0|3,0,0]=4 2899 B16R2.252 Brc1ccnc(c1)CSc2ccccc2 62a_100000719477_100010173614 [0,1,0,0,0,0|3,0,0]=4 2900 B16R2.252 Brc1ccnc(c1)CSc2ccccc2 62a_100010173614_100000041952 [0,1,0,0,0,0|3,0,0]=4 2901 B16R2.252 Brc1ccnc(c1)CSc2cccnc2 62a_100000210063_100010173614 [0,1,0,0,0,0|3,0,0]=4 2902 B16R2.252 Brc1ccnc(c1)CSc2cccnc2 62a_100010173614_100000210063 [0,1,0,0,0,0|3,0,0]=4 2903 B16R2.252 Brc1cncc(c1)C#Cc2ccccc2 271570a_100000069678_100000728054 [0,1,0,0,0,0|1,0,1]=3 2904 B16R2.252 Brc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100000728054 [0,1,0,0,0,0|1,0,1]=3 2905 B16R2.252 Brc1cncc(c1)C=Cc2cccnc2 271570a_100102525586_100000728054 [0,1,0,0,0,0|2,0,1]=4 2906 B16R2.252 Brc1cncc(c1)CNc2ccccc2 207a_100000106764_100000687066 [0,1,0,0,0,0|0,0,0]=1 2907 B16R2.252 Brc1cncc(c1)CNc2ccccc2 270302a_100000106764_100000687066 [0,1,0,0,0,0|0,0,0]=1 2908 B16R2.252 Brc1cncc(c1)CNc2ccccc2 34a_100000106764_100000738771 [0,1,0,0,0,0|0,0,0]=1 2909 B16R2.252 Brc1cncc(c1)CNc2cccnn2 27a_100011249555_100016991348 [0,1,0,0,0,0|2,0,0]=3 2910 B16R2.252 Brc1cncc(c1)CNc2ccncn2 27a_100011249555_100000703185 [0,1,0,0,0,0|2,0,0]=3 2911 B16R2.252 Brc1cncc(c1)CNc2cnccn2 27a_100011249555_100000211759 [0,1,0,0,0,0|2,0,0]=3 2912 B16R2.252 Brc1cncc(c1)CNc2ncccn2 27a_100011249555_100000211032 [0,1,0,0,0,0|2,0,0]=3 2913 B16R2.252 Brc1cncc(c1)COc2ccccc2 34a_100000210340_100000738771 [0,1,0,0,0,0|1,0,0]=2 2914 B16R2.252 Brc1cncc(c1)COc2ccccc2 7a_100000210340_100000738771 [0,1,0,0,0,0|1,0,0]=2 2915 B16R2.252 Brc1cncc(c1)COc2cccnc2 34a_100000210849_100000738771 [0,1,0,0,0,0|2,0,0]=3 2916 B16R2.252 Brc1cncc(c1)COc2cccnc2 7a_100000210849_100000738771 [0,1,0,0,0,0|2,0,0]=3 2917 B16R2.252 Brc1cncc(c1)COc2ccncc2 34a_100000212176_100000738771 [0,1,0,0,0,0|2,0,0]=3 2918 B16R2.252 Brc1cncc(c1)COc2ccnnc2 34a_100015204005_100000738771 [0,1,0,0,0,0|3,0,0]=4 2919 B16R2.252 Brc1cncc(c1)COc2cncnc2 7a_100000754086_100000738771 [0,1,0,0,0,0|3,0,0]=4 2920 B16R2.252 Brc1cncc(c1)CSc2ccccc2 62a_100000719477_100000738771 [0,1,0,0,0,0|1,0,0]=2 2921 B16R2.252 Brc1cncc(c1)CSc2ccccc2 62a_100000738771_100000041952 [0,1,0,0,0,0|1,0,0]=2 2922 B16R2.252 Brc1cncc(c1)CSc2ccccn2 62a_100000738771_100011216584 [0,1,0,0,0,0|2,0,0]=3 2923 B16R2.252 Brc1cncc(c1)CSc2ccccn2 62a_100011216584_100000738771 [0,1,0,0,0,0|2,0,0]=3 2924 B16R2.252 Brc1cncc(c1)CSc2cccnc2 62a_100000210063_100000738771 [0,1,0,0,0,0|2,0,0]=3 2925 B16R2.252 Brc1cncc(c1)CSc2cccnc2 62a_100000738771_100000210063 [0,1,0,0,0,0|2,0,0]=3 2926 B16R2.252 Brc1cncc(c1)CSc2cccnn2 62a_100000738771_100016991348 [0,1,0,0,0,0|3,0,0]=4 2927 B16R2.252 Brc1cncc(c1)CSc2cccnn2 62a_100016991348_100000738771 [0,1,0,0,0,0|3,0,0]=4 2928 B16R2.252 Brc1cncc(c1)CSc2ccncc2 62a_100000728582_100000738771 [0,1,0,0,0,0|2,0,0]=3 2929 B16R2.252 Brc1cncc(c1)CSc2ccncc2 62a_100000738771_100000728582 [0,1,0,0,0,0|2,0,0]=3 2930 B16R2.252 Brc1cncc(c1)CSc2ccncn2 62a_100000703185_100000738771 [0,1,0,0,0,0|3,0,0]=4 2931 B16R2.252 Brc1cncc(c1)CSc2ccncn2 62a_100000738771_100000703185 [0,1,0,0,0,0|3,0,0]=4 2932 B16R2.252 Brc1cncc(c1)CSc2ccnnc2 62a_100000732662_100000738771 [0,1,0,0,0,0|3,0,0]=4 2933 B16R2.252 Brc1cncc(c1)CSc2ccnnc2 62a_100000738771_100000732662 [0,1,0,0,0,0|3,0,0]=4 2934 B16R2.252 Brc1cncc(c1)CSc2cnccn2 62a_100000211759_100000738771 [0,1,0,0,0,0|3,0,0]=4 2935 B16R2.252 Brc1cncc(c1)CSc2cnccn2 62a_100000738771_100000211759 [0,1,0,0,0,0|3,0,0]=4 2936 B16R2.252 Brc1cncc(c1)CSc2cncnc2 62a_100000738771_100011206942 [0,1,0,0,0,0|3,0,0]=4 2937 B16R2.252 Brc1cncc(c1)CSc2cncnc2 62a_100011206942_100000738771 [0,1,0,0,0,0|3,0,0]=4 2938 B16R2.252 Brc1cncc(c1)CSc2ncccn2 62a_100000211032_100000738771 [0,1,0,0,0,0|3,0,0]=4 2939 B16R2.252 Brc1cncc(c1)CSc2ncccn2 62a_100000738771_100000211032 [0,1,0,0,0,0|3,0,0]=4 2940 B16R2.252 Brc1cncc(c1)OCc2ccccc2 34a_100000754920_100015291786 [0,1,0,0,0,0|2,0,0]=3 2941 B16R2.252 Brc1cncc(c1)OCc2ccccc2 7a_100000754920_100000211182 [0,1,0,0,0,0|2,0,0]=3 2942 B16R2.252 Brc1cncc(c1)OCc2ccccn2 34a_100000754920_100000721315 [0,1,0,0,0,0|3,0,0]=4 2943 B16R2.252 Brc1cncc(c1)OCc2ccccn2 7a_100000754920_100000721315 [0,1,0,0,0,0|3,0,0]=4 2944 B16R2.252 Brc1cncc(c1)OCc2cccnc2 34a_100000754920_100000733263 [0,1,0,0,0,0|2,0,0]=3 2945 B16R2.252 Brc1cncc(c1)OCc2cccnc2 7a_100000754920_100000741622 [0,1,0,0,0,0|2,0,0]=3 2946 B16R2.252 Brc1cncc(c1)OCc2cccnn2 34a_100000754920_100016990269 [0,1,0,0,0,0|3,0,0]=4 2947 B16R2.252 Brc1cncc(c1)OCc2cccnn2 7a_100000754920_100016990269 [0,1,0,0,0,0|3,0,0]=4 2948 B16R2.252 Brc1cncc(c1)OCc2ccncc2 7a_100000754920_100015193705 [0,1,0,0,0,0|3,0,0]=4 2949 B16R2.252 Brc1cncc(c1)OCc2cnccn2 34a_100000754920_100016995436 [0,1,0,0,0,0|3,0,0]=4 2950 B16R2.252 Brc1cncc(c1)OCc2cnccn2 7a_100000754920_100016995436 [0,1,0,0,0,0|3,0,0]=4 2951 B16R2.252 Brc1cncc(c1)OCc2cncnc2 34a_100000754920_100015196519 [0,1,0,0,0,0|3,0,0]=4 2952 B16R2.252 Brc1cncc(c1)OCc2cncnc2 7a_100000754920_100015196519 [0,1,0,0,0,0|3,0,0]=4 2953 B16R2.252 Brc1cncc(c1)SCc2ccccc2 62a_100000211182_100000728054 [0,1,0,0,0,0|2,0,0]=3 2954 B16R2.252 Brc1cncc(c1)SCc2ccccc2 62a_100000728054_100015291786 [0,1,0,0,0,0|2,0,0]=3 2955 B16R2.252 Brc1cncc(c1)SCc2ccccn2 62a_100000721315_100000728054 [0,1,0,0,0,0|3,0,0]=4 2956 B16R2.252 Brc1cncc(c1)SCc2ccccn2 62a_100000728054_100000721315 [0,1,0,0,0,0|3,0,0]=4 2957 B16R2.252 Brc1cncc(c1)SCc2cccnc2 62a_100000728054_100000741622 [0,1,0,0,0,0|2,0,0]=3 2958 B16R2.252 Brc1cncc(c1)SCc2cccnc2 62a_100000741622_100000728054 [0,1,0,0,0,0|2,0,0]=3 2959 B16R2.252 Brc1cncc(c1)SCc2cccnn2 62a_100000728054_100016990269 [0,1,0,0,0,0|3,0,0]=4 2960 B16R2.252 Brc1cncc(c1)SCc2cccnn2 62a_100016990269_100000728054 [0,1,0,0,0,0|3,0,0]=4 2961 B16R2.252 Brc1cncc(c1)SCc2ccncc2 62a_100000728054_100015193705 [0,1,0,0,0,0|3,0,0]=4 2962 B16R2.252 Brc1cncc(c1)SCc2ccncc2 62a_100015193705_100000728054 [0,1,0,0,0,0|3,0,0]=4 2963 B16R2.252 Brc1cncc(c1)SCc2cnccn2 62a_100000728054_100016995436 [0,1,0,0,0,0|3,0,0]=4 2964 B16R2.252 Brc1cncc(c1)SCc2cnccn2 62a_100016995436_100000728054 [0,1,0,0,0,0|3,0,0]=4 2965 B16R2.252 Brc1cncc(c1)SCc2cncnc2 62a_100000728054_100015196519 [0,1,0,0,0,0|3,0,0]=4 2966 B16R2.252 Brc1cncc(c1)SCc2cncnc2 62a_100015196519_100000728054 [0,1,0,0,0,0|3,0,0]=4 2967 B16R2.252 C[n+]1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100009996589 [0,1,0,0,0,0|1,0,2]=4 2968 B16R2.252 C[n+]1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100009996589 [0,1,0,0,0,0|1,0,2]=4 2969 B16R2.252 C[n+]1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100009996589 [0,1,0,0,0,0|2,0,1]=4 2970 B16R2.252 C[n+]1cccc(c1)SCc2ccccc2 62a_100000211182_100009996589 [0,1,0,0,0,0|2,0,1]=4 2971 B16R2.252 C[n+]1cccc(c1)SCc2ccccc2 62a_100009996589_100015291786 [0,1,0,0,0,0|2,0,1]=4 2972 B16R2.252 C[n+]1cccc(c1)SCc2cccnc2 62a_100000741622_100009996589 [0,1,0,0,0,0|2,0,0]=3 2973 B16R2.252 C[n+]1cccc(c1)SCc2cccnc2 62a_100009996589_100000741622 [0,1,0,0,0,0|2,0,0]=3 2974 B16R2.252 C[n+]1cccc(c1)SCc2cccnn2 62a_100009996589_100016990269 [0,1,0,0,0,0|3,0,0]=4 2975 B16R2.252 C[n+]1cccc(c1)SCc2cccnn2 62a_100016990269_100009996589 [0,1,0,0,0,0|3,0,0]=4 2976 B16R2.252 C[n+]1cccc(c1)SCc2cnccn2 62a_100009996589_100016995436 [0,1,0,0,0,0|3,0,0]=4 2977 B16R2.252 C[n+]1cccc(c1)SCc2cnccn2 62a_100016995436_100009996589 [0,1,0,0,0,0|3,0,0]=4 2978 B16R2.252 C[n+]1cccc(c1)SCc2cncnc2 62a_100009996589_100015196519 [0,1,0,0,0,0|3,0,0]=4 2979 B16R2.252 C[n+]1cccc(c1)SCc2cncnc2 62a_100015196519_100009996589 [0,1,0,0,0,0|3,0,0]=4 2980 B16R2.252 Cc1cc(ccn1)C=Cc2cccnc2 271570a_100102525586_100000758586 [0,1,0,0,0,0|2,0,1]=4 2981 B16R2.252 Cc1cc(ccn1)CNc2ccccc2 207a_100000106764_100011361630 [0,1,0,0,0,0|2,0,0]=3 2982 B16R2.252 Cc1cc(ccn1)CNc2ccccc2 34a_100000106764_200020672517 [0,1,0,0,0,0|2,0,0]=3 2983 B16R2.252 Cc1cc(ccn1)COc2ccccc2 34a_100000210340_200020672517 [0,1,0,0,0,0|3,0,0]=4 2984 B16R2.252 Cc1cc(ccn1)COc2ccccc2 7a_100000210340_200020672517 [0,1,0,0,0,0|3,0,0]=4 2985 B16R2.252 Cc1cc(ccn1)COc2cccnc2 34a_100000210849_200020672517 [0,1,0,0,0,0|3,0,0]=4 2986 B16R2.252 Cc1cc(ccn1)COc2cccnc2 7a_100000210849_200020672517 [0,1,0,0,0,0|3,0,0]=4 2987 B16R2.252 Cc1cc(ccn1)CSc2ccccc2 62a_100000719477_200020672517 [0,1,0,0,0,0|3,0,0]=4 2988 B16R2.252 Cc1cc(ccn1)CSc2ccccc2 62a_200020672517_100000041952 [0,1,0,0,0,0|3,0,0]=4 2989 B16R2.252 Cc1cc(ccn1)CSc2cccnc2 62a_100000210063_200020672517 [0,1,0,0,0,0|3,0,0]=4 2990 B16R2.252 Cc1cc(ccn1)CSc2cccnc2 62a_200020672517_100000210063 [0,1,0,0,0,0|3,0,0]=4 2991 B16R2.252 Cc1cc(ccn1)NCc2ccccc2 27a_100015324214_100000758586 [0,1,0,0,0,0|2,0,0]=3 2992 B16R2.252 Cc1cc(ccn1)NCc2ccccn2 27a_100000210449_100000758586 [0,1,0,0,0,0|3,0,0]=4 2993 B16R2.252 Cc1cc(ccn1)NCc2cccnc2 27a_100000210453_100000758586 [0,1,0,0,0,0|1,0,0]=2 2994 B16R2.252 Cc1cc(ccn1)NCc2cccnn2 27a_100159270163_100000758586 [0,1,0,0,0,0|2,0,0]=3 2995 B16R2.252 Cc1cc(ccn1)NCc2ccncc2 27a_100000210450_100000758586 [0,1,0,0,0,0|3,0,0]=4 2996 B16R2.252 Cc1cc(ccn1)NCc2cnccn2 27a_100000737960_100000758586 [0,1,0,0,0,0|2,0,0]=3 2997 B16R2.252 Cc1cc(ccn1)NCc2cncnc2 27a_100011243677_100000758586 [0,1,0,0,0,0|2,0,0]=3 2998 B16R2.252 Cc1cc(ccn1)OCc2ccccc2 34a_100000688365_100015291786 [0,1,0,0,0,0|3,0,0]=4 2999 B16R2.252 Cc1cc(ccn1)OCc2cccnc2 34a_100000688365_100000733263 [0,1,0,0,0,0|2,0,0]=3 3000 B16R2.252 Cc1cc(ccn1)OCc2cccnn2 34a_100000688365_100016990269 [0,1,0,0,0,0|3,0,0]=4 3001 B16R2.252 Cc1cc(ccn1)OCc2cnccn2 34a_100000688365_100016995436 [0,1,0,0,0,0|3,0,0]=4 3002 B16R2.252 Cc1cc(ccn1)OCc2cncnc2 34a_100000688365_100015196519 [0,1,0,0,0,0|3,0,0]=4 3003 B16R2.252 Cc1cc(ccn1)SCc2ccccc2 62a_100000211182_100000758586 [0,1,0,0,0,0|3,0,0]=4 3004 B16R2.252 Cc1cc(ccn1)SCc2ccccc2 62a_100000758586_100015291786 [0,1,0,0,0,0|3,0,0]=4 3005 B16R2.252 Cc1cc(ccn1)SCc2cccnc2 62a_100000741622_100000758586 [0,1,0,0,0,0|2,0,0]=3 3006 B16R2.252 Cc1cc(ccn1)SCc2cccnc2 62a_100000758586_100000741622 [0,1,0,0,0,0|2,0,0]=3 3007 B16R2.252 Cc1cc(ccn1)SCc2cccnn2 62a_100000758586_100016990269 [0,1,0,0,0,0|3,0,0]=4 3008 B16R2.252 Cc1cc(ccn1)SCc2cccnn2 62a_100016990269_100000758586 [0,1,0,0,0,0|3,0,0]=4 3009 B16R2.252 Cc1cc(ccn1)SCc2cnccn2 62a_100000758586_100016995436 [0,1,0,0,0,0|3,0,0]=4 3010 B16R2.252 Cc1cc(ccn1)SCc2cnccn2 62a_100016995436_100000758586 [0,1,0,0,0,0|3,0,0]=4 3011 B16R2.252 Cc1cc(ccn1)SCc2cncnc2 62a_100000758586_100015196519 [0,1,0,0,0,0|3,0,0]=4 3012 B16R2.252 Cc1cc(ccn1)SCc2cncnc2 62a_100015196519_100000758586 [0,1,0,0,0,0|3,0,0]=4 3013 B16R2.252 Cc1cc(ncn1)NCc2ccccc2 27a_100015324214_100000744208 [0,1,0,0,0,0|3,0,0]=4 3014 B16R2.252 Cc1cc(ncn1)NCc2cccnc2 27a_100000210453_100000744208 [0,1,0,0,0,0|2,0,0]=3 3015 B16R2.252 Cc1cc(ncn1)NCc2cccnn2 27a_100159270163_100000744208 [0,1,0,0,0,0|3,0,0]=4 3016 B16R2.252 Cc1cc(ncn1)NCc2cnccn2 27a_100000737960_100000744208 [0,1,0,0,0,0|3,0,0]=4 3017 B16R2.252 Cc1cc(ncn1)NCc2cncnc2 27a_100011243677_100000744208 [0,1,0,0,0,0|3,0,0]=4 3018 B16R2.252 Cc1cc(ncn1)SCc2cccnc2 62a_100000741622_100000744208 [0,1,0,0,0,0|3,0,0]=4 3019 B16R2.252 Cc1cc(ncn1)SCc2cccnc2 62a_100000744208_100000741622 [0,1,0,0,0,0|3,0,0]=4 3020 B16R2.252 Cc1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100011215228 [0,1,0,0,0,0|2,0,1]=4 3021 B16R2.252 Cc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100011215228 [0,1,0,0,0,0|2,0,1]=4 3022 B16R2.252 Cc1cccc(c1)C=Cc2ccccc2 271570a_200135466880_100000210277 [0,1,0,0,0,0|2,0,1]=4 3023 B16R2.252 Cc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100011215228 [0,1,0,0,0,0|1,0,1]=3 3024 B16R2.252 Cc1cccc(c1)C=Cc2cccnc2 271570a_200135466880_100000752921 [0,1,0,0,0,0|1,0,1]=3 3025 B16R2.252 Cc1cccc(c1)C=Cc2cccnn2 271570a_200135466880_100016991348 [0,1,0,0,0,0|2,0,1]=4 3026 B16R2.252 Cc1cccc(c1)C=Cc2ccnnc2 271570a_200135466880_100000732662 [0,1,0,0,0,0|2,0,1]=4 3027 B16R2.252 Cc1cccc(c1)C=Cc2cnccn2 271570a_200135466880_100000758340 [0,1,0,0,0,0|2,0,1]=4 3028 B16R2.252 Cc1cccc(c1)C=Cc2cncnc2 271570a_200135466880_100011206942 [0,1,0,0,0,0|2,0,1]=4 3029 B16R2.252 Cc1cccc(c1)CNc2ccccc2 207a_100000106764_100000211157 [0,1,0,0,0,0|1,0,0]=2 3030 B16R2.252 Cc1cccc(c1)CNc2ccccc2 270302a_100000106764_100000211157 [0,1,0,0,0,0|1,0,0]=2 3031 B16R2.252 Cc1cccc(c1)CNc2ccccc2 34a_100000106764_100000211840 [0,1,0,0,0,0|1,0,0]=2 3032 B16R2.252 Cc1cccc(c1)CNc2cccnn2 27a_100000185548_100016991348 [0,1,0,0,0,0|3,0,0]=4 3033 B16R2.252 Cc1cccc(c1)CNc2ccncn2 27a_100000185548_100000703185 [0,1,0,0,0,0|3,0,0]=4 3034 B16R2.252 Cc1cccc(c1)CNc2cnccn2 27a_100000185548_100000211759 [0,1,0,0,0,0|3,0,0]=4 3035 B16R2.252 Cc1cccc(c1)CNc2ncccn2 27a_100000185548_100000211032 [0,1,0,0,0,0|3,0,0]=4 3036 B16R2.252 Cc1cccc(c1)COc2ccccc2 34a_100000210340_100000211840 [0,1,0,0,0,0|2,0,0]=3 3037 B16R2.252 Cc1cccc(c1)COc2ccccc2 7a_100000210340_100000211840 [0,1,0,0,0,0|2,0,0]=3 3038 B16R2.252 Cc1cccc(c1)COc2cccnc2 34a_100000210849_100000211840 [0,1,0,0,0,0|2,0,0]=3 3039 B16R2.252 Cc1cccc(c1)COc2cccnc2 7a_100000210849_100000211840 [0,1,0,0,0,0|2,0,0]=3 3040 B16R2.252 Cc1cccc(c1)COc2ccncc2 34a_100000212176_100000211840 [0,1,0,0,0,0|3,0,0]=4 3041 B16R2.252 Cc1cccc(c1)COc2ccnnc2 34a_100015204005_100000211840 [0,1,0,0,0,0|3,0,0]=4 3042 B16R2.252 Cc1cccc(c1)COc2cncnc2 7a_100000754086_100000211840 [0,1,0,0,0,0|3,0,0]=4 3043 B16R2.252 Cc1cccc(c1)CSc2ccccc2 62a_100000211840_100000041952 [0,1,0,0,0,0|2,0,0]=3 3044 B16R2.252 Cc1cccc(c1)CSc2ccccc2 62a_100000719477_100000211840 [0,1,0,0,0,0|2,0,0]=3 3045 B16R2.252 Cc1cccc(c1)CSc2ccccn2 62a_100000211840_100011216584 [0,1,0,0,0,0|3,0,0]=4 3046 B16R2.252 Cc1cccc(c1)CSc2ccccn2 62a_100011216584_100000211840 [0,1,0,0,0,0|3,0,0]=4 3047 B16R2.252 Cc1cccc(c1)CSc2cccnc2 62a_100000210063_100000211840 [0,1,0,0,0,0|2,0,0]=3 3048 B16R2.252 Cc1cccc(c1)CSc2cccnc2 62a_100000211840_100000210063 [0,1,0,0,0,0|2,0,0]=3 3049 B16R2.252 Cc1cccc(c1)CSc2cccnn2 62a_100000211840_100016991348 [0,1,0,0,0,0|3,0,0]=4 3050 B16R2.252 Cc1cccc(c1)CSc2cccnn2 62a_100016991348_100000211840 [0,1,0,0,0,0|3,0,0]=4 3051 B16R2.252 Cc1cccc(c1)CSc2ccncc2 62a_100000211840_100000728582 [0,1,0,0,0,0|3,0,0]=4 3052 B16R2.252 Cc1cccc(c1)CSc2ccncc2 62a_100000728582_100000211840 [0,1,0,0,0,0|3,0,0]=4 3053 B16R2.252 Cc1cccc(c1)CSc2ccnnc2 62a_100000211840_100000732662 [0,1,0,0,0,0|3,0,0]=4 3054 B16R2.252 Cc1cccc(c1)CSc2ccnnc2 62a_100000732662_100000211840 [0,1,0,0,0,0|3,0,0]=4 3055 B16R2.252 Cc1cccc(c1)CSc2cnccn2 62a_100000211759_100000211840 [0,1,0,0,0,0|3,0,0]=4 3056 B16R2.252 Cc1cccc(c1)CSc2cnccn2 62a_100000211840_100000211759 [0,1,0,0,0,0|3,0,0]=4 3057 B16R2.252 Cc1cccc(c1)CSc2cncnc2 62a_100000211840_100011206942 [0,1,0,0,0,0|3,0,0]=4 3058 B16R2.252 Cc1cccc(c1)CSc2cncnc2 62a_100011206942_100000211840 [0,1,0,0,0,0|3,0,0]=4 3059 B16R2.252 Cc1cccc(c1)NCc2ccccc2 207a_100000188690_100015611070 [0,1,0,0,0,0|1,0,0]=2 3060 B16R2.252 Cc1cccc(c1)NCc2ccccc2 2230a_100000188690_100015291786 [0,1,0,0,0,0|1,0,0]=2 3061 B16R2.252 Cc1cccc(c1)NCc2ccccc2 270302a_100000188690_100015611070 [0,1,0,0,0,0|1,0,0]=2 3062 B16R2.252 Cc1cccc(c1)NCc2ccccc2 34a_100000188690_100015291786 [0,1,0,0,0,0|1,0,0]=2 3063 B16R2.252 Cc1cccc(c1)NCc2ccccn2 207a_100000188690_100000209966 [0,1,0,0,0,0|2,0,0]=3 3064 B16R2.252 Cc1cccc(c1)NCc2ccccn2 2230a_100000188690_100000721315 [0,1,0,0,0,0|2,0,0]=3 3065 B16R2.252 Cc1cccc(c1)NCc2ccccn2 270302a_100000188690_100000209966 [0,1,0,0,0,0|2,0,0]=3 3066 B16R2.252 Cc1cccc(c1)NCc2ccccn2 34a_100000188690_100000721315 [0,1,0,0,0,0|2,0,0]=3 3067 B16R2.252 Cc1cccc(c1)NCc2cccnc2 207a_100000188690_100000209961 [0,1,0,0,0,0|0,0,0]=1 3068 B16R2.252 Cc1cccc(c1)NCc2cccnc2 2230a_100000188690_100000741622 [0,1,0,0,0,0|0,0,0]=1 3069 B16R2.252 Cc1cccc(c1)NCc2cccnc2 270302a_100000188690_100000209961 [0,1,0,0,0,0|0,0,0]=1 3070 B16R2.252 Cc1cccc(c1)NCc2cccnc2 34a_100000188690_100000733263 [0,1,0,0,0,0|0,0,0]=1 3071 B16R2.252 Cc1cccc(c1)NCc2cccnn2 2230a_100000188690_100016990269 [0,1,0,0,0,0|1,0,0]=2 3072 B16R2.252 Cc1cccc(c1)NCc2cccnn2 34a_100000188690_100016990269 [0,1,0,0,0,0|1,0,0]=2 3073 B16R2.252 Cc1cccc(c1)NCc2ccncc2 207a_100000188690_100000186114 [0,1,0,0,0,0|2,0,0]=3 3074 B16R2.252 Cc1cccc(c1)NCc2ccncc2 2230a_100000188690_100015193705 [0,1,0,0,0,0|2,0,0]=3 3075 B16R2.252 Cc1cccc(c1)NCc2ccnnc2 270302a_100000188690_100011934578 [0,1,0,0,0,0|1,0,0]=2 3076 B16R2.252 Cc1cccc(c1)NCc2cnccn2 2230a_100000188690_100016995436 [0,1,0,0,0,0|1,0,0]=2 3077 B16R2.252 Cc1cccc(c1)NCc2cnccn2 34a_100000188690_100016995436 [0,1,0,0,0,0|1,0,0]=2 3078 B16R2.252 Cc1cccc(c1)NCc2cncnc2 2230a_100000188690_100015196519 [0,1,0,0,0,0|1,0,0]=2 3079 B16R2.252 Cc1cccc(c1)NCc2cncnc2 270302a_100000188690_100000749868 [0,1,0,0,0,0|1,0,0]=2 3080 B16R2.252 Cc1cccc(c1)NCc2cncnc2 34a_100000188690_100015196519 [0,1,0,0,0,0|1,0,0]=2 3081 B16R2.252 Cc1cccc(c1)NCc2ncccn2 2230a_100000188690_100000703007 [0,1,0,0,0,0|3,0,0]=4 3082 B16R2.252 Cc1cccc(c1)NCc2ncccn2 34a_100000188690_100000703007 [0,1,0,0,0,0|3,0,0]=4 3083 B16R2.252 Cc1cccc(c1)OCc2ccccc2 34a_100000210337_100015291786 [0,1,0,0,0,0|2,0,0]=3 3084 B16R2.252 Cc1cccc(c1)OCc2ccccc2 7a_100000210337_100000211182 [0,1,0,0,0,0|2,0,0]=3 3085 B16R2.252 Cc1cccc(c1)OCc2ccccn2 34a_100000210337_100000721315 [0,1,0,0,0,0|3,0,0]=4 3086 B16R2.252 Cc1cccc(c1)OCc2ccccn2 7a_100000210337_100000721315 [0,1,0,0,0,0|3,0,0]=4 3087 B16R2.252 Cc1cccc(c1)OCc2cccnc2 34a_100000210337_100000733263 [0,1,0,0,0,0|1,0,0]=2 3088 B16R2.252 Cc1cccc(c1)OCc2cccnc2 7a_100000210337_100000741622 [0,1,0,0,0,0|1,0,0]=2 3089 B16R2.252 Cc1cccc(c1)OCc2cccnn2 34a_100000210337_100016990269 [0,1,0,0,0,0|2,0,0]=3 3090 B16R2.252 Cc1cccc(c1)OCc2cccnn2 7a_100000210337_100016990269 [0,1,0,0,0,0|2,0,0]=3 3091 B16R2.252 Cc1cccc(c1)OCc2ccncc2 7a_100000210337_100015193705 [0,1,0,0,0,0|3,0,0]=4 3092 B16R2.252 Cc1cccc(c1)OCc2cnccn2 34a_100000210337_100016995436 [0,1,0,0,0,0|2,0,0]=3 3093 B16R2.252 Cc1cccc(c1)OCc2cnccn2 7a_100000210337_100016995436 [0,1,0,0,0,0|2,0,0]=3 3094 B16R2.252 Cc1cccc(c1)OCc2cncnc2 34a_100000210337_100015196519 [0,1,0,0,0,0|2,0,0]=3 3095 B16R2.252 Cc1cccc(c1)OCc2cncnc2 7a_100000210337_100015196519 [0,1,0,0,0,0|2,0,0]=3 3096 B16R2.252 Cc1cccc(c1)SCc2ccccc2 62a_100000211182_100011215228 [0,1,0,0,0,0|2,0,0]=3 3097 B16R2.252 Cc1cccc(c1)SCc2ccccc2 62a_100011215228_100015291786 [0,1,0,0,0,0|2,0,0]=3 3098 B16R2.252 Cc1cccc(c1)SCc2ccccn2 62a_100000721315_100011215228 [0,1,0,0,0,0|3,0,0]=4 3099 B16R2.252 Cc1cccc(c1)SCc2ccccn2 62a_100011215228_100000721315 [0,1,0,0,0,0|3,0,0]=4 3100 B16R2.252 Cc1cccc(c1)SCc2cccnc2 62a_100000741622_100011215228 [0,1,0,0,0,0|1,0,0]=2 3101 B16R2.252 Cc1cccc(c1)SCc2cccnc2 62a_100011215228_100000741622 [0,1,0,0,0,0|1,0,0]=2 3102 B16R2.252 Cc1cccc(c1)SCc2cccnn2 62a_100011215228_100016990269 [0,1,0,0,0,0|2,0,0]=3 3103 B16R2.252 Cc1cccc(c1)SCc2cccnn2 62a_100016990269_100011215228 [0,1,0,0,0,0|2,0,0]=3 3104 B16R2.252 Cc1cccc(c1)SCc2ccncc2 62a_100011215228_100015193705 [0,1,0,0,0,0|3,0,0]=4 3105 B16R2.252 Cc1cccc(c1)SCc2ccncc2 62a_100015193705_100011215228 [0,1,0,0,0,0|3,0,0]=4 3106 B16R2.252 Cc1cccc(c1)SCc2cnccn2 62a_100011215228_100016995436 [0,1,0,0,0,0|2,0,0]=3 3107 B16R2.252 Cc1cccc(c1)SCc2cnccn2 62a_100016995436_100011215228 [0,1,0,0,0,0|2,0,0]=3 3108 B16R2.252 Cc1cccc(c1)SCc2cncnc2 62a_100011215228_100015196519 [0,1,0,0,0,0|2,0,0]=3 3109 B16R2.252 Cc1cccc(c1)SCc2cncnc2 62a_100015196519_100011215228 [0,1,0,0,0,0|2,0,0]=3 3110 B16R2.252 Cc1cccc(n1)C=Cc2cccnc2 271570a_100102525586_100000742759 [0,1,0,0,0,0|2,0,1]=4 3111 B16R2.252 Cc1cccc(n1)CNc2ccccc2 207a_100000106764_100011215050 [0,1,0,0,0,0|2,0,0]=3 3112 B16R2.252 Cc1cccc(n1)CNc2ccccc2 34a_100000106764_100000757606 [0,1,0,0,0,0|2,0,0]=3 3113 B16R2.252 Cc1cccc(n1)COc2ccccc2 34a_100000210340_100000757606 [0,1,0,0,0,0|3,0,0]=4 3114 B16R2.252 Cc1cccc(n1)COc2ccccc2 7a_100000210340_100000757606 [0,1,0,0,0,0|3,0,0]=4 3115 B16R2.252 Cc1cccc(n1)COc2cccnc2 34a_100000210849_100000757606 [0,1,0,0,0,0|3,0,0]=4 3116 B16R2.252 Cc1cccc(n1)COc2cccnc2 7a_100000210849_100000757606 [0,1,0,0,0,0|3,0,0]=4 3117 B16R2.252 Cc1cccc(n1)CSc2ccccc2 62a_100000719477_100000757606 [0,1,0,0,0,0|3,0,0]=4 3118 B16R2.252 Cc1cccc(n1)CSc2ccccc2 62a_100000757606_100000041952 [0,1,0,0,0,0|3,0,0]=4 3119 B16R2.252 Cc1cccc(n1)CSc2cccnc2 62a_100000210063_100000757606 [0,1,0,0,0,0|3,0,0]=4 3120 B16R2.252 Cc1cccc(n1)CSc2cccnc2 62a_100000757606_100000210063 [0,1,0,0,0,0|3,0,0]=4 3121 B16R2.252 Cc1cccc(n1)SCc2ccccc2 62a_100000211182_100000742759 [0,1,0,0,0,0|3,0,0]=4 3122 B16R2.252 Cc1cccc(n1)SCc2ccccc2 62a_100000742759_100015291786 [0,1,0,0,0,0|3,0,0]=4 3123 B16R2.252 Cc1cccc(n1)SCc2cccnc2 62a_100000741622_100000742759 [0,1,0,0,0,0|2,0,0]=3 3124 B16R2.252 Cc1cccc(n1)SCc2cccnc2 62a_100000742759_100000741622 [0,1,0,0,0,0|2,0,0]=3 3125 B16R2.252 Cc1cccc(n1)SCc2cccnn2 62a_100000742759_100016990269 [0,1,0,0,0,0|3,0,0]=4 3126 B16R2.252 Cc1cccc(n1)SCc2cccnn2 62a_100016990269_100000742759 [0,1,0,0,0,0|3,0,0]=4 3127 B16R2.252 Cc1cccc(n1)SCc2cnccn2 62a_100000742759_100016995436 [0,1,0,0,0,0|3,0,0]=4 3128 B16R2.252 Cc1cccc(n1)SCc2cnccn2 62a_100016995436_100000742759 [0,1,0,0,0,0|3,0,0]=4 3129 B16R2.252 Cc1cccc(n1)SCc2cncnc2 62a_100000742759_100015196519 [0,1,0,0,0,0|3,0,0]=4 3130 B16R2.252 Cc1cccc(n1)SCc2cncnc2 62a_100015196519_100000742759 [0,1,0,0,0,0|3,0,0]=4 3131 B16R2.252 Cc1ccnc(c1)C=Cc2cccnc2 271570a_100102525586_100000750283 [0,1,0,0,0,0|2,0,1]=4 3132 B16R2.252 Cc1ccnc(c1)CNc2ccccc2 207a_100000106764_100011361488 [0,1,0,0,0,0|2,0,0]=3 3133 B16R2.252 Cc1ccnc(c1)CNc2ccccc2 34a_100000106764_100000718516 [0,1,0,0,0,0|2,0,0]=3 3134 B16R2.252 Cc1ccnc(c1)COc2ccccc2 34a_100000210340_100000718516 [0,1,0,0,0,0|3,0,0]=4 3135 B16R2.252 Cc1ccnc(c1)COc2ccccc2 7a_100000210340_100000718516 [0,1,0,0,0,0|3,0,0]=4 3136 B16R2.252 Cc1ccnc(c1)COc2cccnc2 34a_100000210849_100000718516 [0,1,0,0,0,0|3,0,0]=4 3137 B16R2.252 Cc1ccnc(c1)COc2cccnc2 7a_100000210849_100000718516 [0,1,0,0,0,0|3,0,0]=4 3138 B16R2.252 Cc1ccnc(c1)CSc2ccccc2 62a_100000718516_100000041952 [0,1,0,0,0,0|3,0,0]=4 3139 B16R2.252 Cc1ccnc(c1)CSc2ccccc2 62a_100000719477_100000718516 [0,1,0,0,0,0|3,0,0]=4 3140 B16R2.252 Cc1ccnc(c1)CSc2cccnc2 62a_100000210063_100000718516 [0,1,0,0,0,0|3,0,0]=4 3141 B16R2.252 Cc1ccnc(c1)CSc2cccnc2 62a_100000718516_100000210063 [0,1,0,0,0,0|3,0,0]=4 3142 B16R2.252 Cc1ccnc(c1)SCc2ccccc2 62a_100000211182_100000750283 [0,1,0,0,0,0|3,0,0]=4 3143 B16R2.252 Cc1ccnc(c1)SCc2ccccc2 62a_100000750283_100015291786 [0,1,0,0,0,0|3,0,0]=4 3144 B16R2.252 Cc1ccnc(c1)SCc2cccnc2 62a_100000741622_100000750283 [0,1,0,0,0,0|2,0,0]=3 3145 B16R2.252 Cc1ccnc(c1)SCc2cccnc2 62a_100000750283_100000741622 [0,1,0,0,0,0|2,0,0]=3 3146 B16R2.252 Cc1ccnc(c1)SCc2cccnn2 62a_100000750283_100016990269 [0,1,0,0,0,0|3,0,0]=4 3147 B16R2.252 Cc1ccnc(c1)SCc2cccnn2 62a_100016990269_100000750283 [0,1,0,0,0,0|3,0,0]=4 3148 B16R2.252 Cc1ccnc(c1)SCc2cnccn2 62a_100000750283_100016995436 [0,1,0,0,0,0|3,0,0]=4 3149 B16R2.252 Cc1ccnc(c1)SCc2cnccn2 62a_100016995436_100000750283 [0,1,0,0,0,0|3,0,0]=4 3150 B16R2.252 Cc1ccnc(c1)SCc2cncnc2 62a_100000750283_100015196519 [0,1,0,0,0,0|3,0,0]=4 3151 B16R2.252 Cc1ccnc(c1)SCc2cncnc2 62a_100015196519_100000750283 [0,1,0,0,0,0|3,0,0]=4 3152 B16R2.252 Cc1ccnc(n1)NCc2ccccc2 27a_100015324214_100000750684 [0,1,0,0,0,0|3,0,0]=4 3153 B16R2.252 Cc1ccnc(n1)NCc2cccnc2 27a_100000210453_100000750684 [0,1,0,0,0,0|2,0,0]=3 3154 B16R2.252 Cc1ccnc(n1)NCc2cccnn2 27a_100159270163_100000750684 [0,1,0,0,0,0|3,0,0]=4 3155 B16R2.252 Cc1ccnc(n1)NCc2cnccn2 27a_100000737960_100000750684 [0,1,0,0,0,0|3,0,0]=4 3156 B16R2.252 Cc1ccnc(n1)NCc2cncnc2 27a_100011243677_100000750684 [0,1,0,0,0,0|3,0,0]=4 3157 B16R2.252 Cc1ccnc(n1)SCc2cccnc2 62a_100000741622_100011243806 [0,1,0,0,0,0|3,0,0]=4 3158 B16R2.252 Cc1ccnc(n1)SCc2cccnc2 62a_100011243806_100000741622 [0,1,0,0,0,0|3,0,0]=4 3159 B16R2.252 Cc1cncc(c1)C#Cc2ccccc2 271570a_100000069678_100000760492 [0,1,0,0,0,0|1,0,1]=3 3160 B16R2.252 Cc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100000760492 [0,1,0,0,0,0|1,0,1]=3 3161 B16R2.252 Cc1cncc(c1)C=Cc2cccnc2 271570a_100102525586_100000760492 [0,1,0,0,0,0|2,0,1]=4 3162 B16R2.252 Cc1cncc(c1)CNc2ccccc2 207a_100000106764_100011998712 [0,1,0,0,0,0|0,0,0]=1 3163 B16R2.252 Cc1cncc(c1)CNc2ccccc2 270302a_100000106764_100011998712 [0,1,0,0,0,0|0,0,0]=1 3164 B16R2.252 Cc1cncc(c1)CNc2ccccc2 34a_100000106764_100000716715 [0,1,0,0,0,0|0,0,0]=1 3165 B16R2.252 Cc1cncc(c1)CNc2cccnn2 27a_100000692839_100016991348 [0,1,0,0,0,0|2,0,0]=3 3166 B16R2.252 Cc1cncc(c1)CNc2ccncn2 27a_100000692839_100000703185 [0,1,0,0,0,0|2,0,0]=3 3167 B16R2.252 Cc1cncc(c1)CNc2cnccn2 27a_100000692839_100000211759 [0,1,0,0,0,0|2,0,0]=3 3168 B16R2.252 Cc1cncc(c1)CNc2ncccn2 27a_100000692839_100000211032 [0,1,0,0,0,0|2,0,0]=3 3169 B16R2.252 Cc1cncc(c1)COc2ccccc2 34a_100000210340_100000716715 [0,1,0,0,0,0|1,0,0]=2 3170 B16R2.252 Cc1cncc(c1)COc2ccccc2 7a_100000210340_100000716715 [0,1,0,0,0,0|1,0,0]=2 3171 B16R2.252 Cc1cncc(c1)COc2cccnc2 34a_100000210849_100000716715 [0,1,0,0,0,0|2,0,0]=3 3172 B16R2.252 Cc1cncc(c1)COc2cccnc2 7a_100000210849_100000716715 [0,1,0,0,0,0|2,0,0]=3 3173 B16R2.252 Cc1cncc(c1)COc2ccncc2 34a_100000212176_100000716715 [0,1,0,0,0,0|2,0,0]=3 3174 B16R2.252 Cc1cncc(c1)COc2ccnnc2 34a_100015204005_100000716715 [0,1,0,0,0,0|3,0,0]=4 3175 B16R2.252 Cc1cncc(c1)COc2cncnc2 7a_100000754086_100000716715 [0,1,0,0,0,0|3,0,0]=4 3176 B16R2.252 Cc1cncc(c1)CSc2ccccc2 62a_100000716715_100000041952 [0,1,0,0,0,0|1,0,0]=2 3177 B16R2.252 Cc1cncc(c1)CSc2ccccc2 62a_100000719477_100000716715 [0,1,0,0,0,0|1,0,0]=2 3178 B16R2.252 Cc1cncc(c1)CSc2ccccn2 62a_100000716715_100011216584 [0,1,0,0,0,0|2,0,0]=3 3179 B16R2.252 Cc1cncc(c1)CSc2ccccn2 62a_100011216584_100000716715 [0,1,0,0,0,0|2,0,0]=3 3180 B16R2.252 Cc1cncc(c1)CSc2cccnc2 62a_100000210063_100000716715 [0,1,0,0,0,0|2,0,0]=3 3181 B16R2.252 Cc1cncc(c1)CSc2cccnc2 62a_100000716715_100000210063 [0,1,0,0,0,0|2,0,0]=3 3182 B16R2.252 Cc1cncc(c1)CSc2cccnn2 62a_100000716715_100016991348 [0,1,0,0,0,0|3,0,0]=4 3183 B16R2.252 Cc1cncc(c1)CSc2cccnn2 62a_100016991348_100000716715 [0,1,0,0,0,0|3,0,0]=4 3184 B16R2.252 Cc1cncc(c1)CSc2ccncc2 62a_100000716715_100000728582 [0,1,0,0,0,0|2,0,0]=3 3185 B16R2.252 Cc1cncc(c1)CSc2ccncc2 62a_100000728582_100000716715 [0,1,0,0,0,0|2,0,0]=3 3186 B16R2.252 Cc1cncc(c1)CSc2ccncn2 62a_100000703185_100000716715 [0,1,0,0,0,0|3,0,0]=4 3187 B16R2.252 Cc1cncc(c1)CSc2ccncn2 62a_100000716715_100000703185 [0,1,0,0,0,0|3,0,0]=4 3188 B16R2.252 Cc1cncc(c1)CSc2ccnnc2 62a_100000716715_100000732662 [0,1,0,0,0,0|3,0,0]=4 3189 B16R2.252 Cc1cncc(c1)CSc2ccnnc2 62a_100000732662_100000716715 [0,1,0,0,0,0|3,0,0]=4 3190 B16R2.252 Cc1cncc(c1)CSc2cnccn2 62a_100000211759_100000716715 [0,1,0,0,0,0|3,0,0]=4 3191 B16R2.252 Cc1cncc(c1)CSc2cnccn2 62a_100000716715_100000211759 [0,1,0,0,0,0|3,0,0]=4 3192 B16R2.252 Cc1cncc(c1)CSc2cncnc2 62a_100000716715_100011206942 [0,1,0,0,0,0|3,0,0]=4 3193 B16R2.252 Cc1cncc(c1)CSc2cncnc2 62a_100011206942_100000716715 [0,1,0,0,0,0|3,0,0]=4 3194 B16R2.252 Cc1cncc(c1)CSc2ncccn2 62a_100000211032_100000716715 [0,1,0,0,0,0|3,0,0]=4 3195 B16R2.252 Cc1cncc(c1)CSc2ncccn2 62a_100000716715_100000211032 [0,1,0,0,0,0|3,0,0]=4 3196 B16R2.252 Cc1cncc(c1)OCc2ccccc2 34a_100011830280_100015291786 [0,1,0,0,0,0|2,0,0]=3 3197 B16R2.252 Cc1cncc(c1)OCc2ccccc2 7a_100011830280_100000211182 [0,1,0,0,0,0|2,0,0]=3 3198 B16R2.252 Cc1cncc(c1)OCc2ccccn2 34a_100011830280_100000721315 [0,1,0,0,0,0|3,0,0]=4 3199 B16R2.252 Cc1cncc(c1)OCc2ccccn2 7a_100011830280_100000721315 [0,1,0,0,0,0|3,0,0]=4 3200 B16R2.252 Cc1cncc(c1)OCc2cccnc2 34a_100011830280_100000733263 [0,1,0,0,0,0|2,0,0]=3 3201 B16R2.252 Cc1cncc(c1)OCc2cccnc2 7a_100011830280_100000741622 [0,1,0,0,0,0|2,0,0]=3 3202 B16R2.252 Cc1cncc(c1)OCc2cccnn2 34a_100011830280_100016990269 [0,1,0,0,0,0|3,0,0]=4 3203 B16R2.252 Cc1cncc(c1)OCc2cccnn2 7a_100011830280_100016990269 [0,1,0,0,0,0|3,0,0]=4 3204 B16R2.252 Cc1cncc(c1)OCc2ccncc2 7a_100011830280_100015193705 [0,1,0,0,0,0|3,0,0]=4 3205 B16R2.252 Cc1cncc(c1)OCc2cnccn2 34a_100011830280_100016995436 [0,1,0,0,0,0|3,0,0]=4 3206 B16R2.252 Cc1cncc(c1)OCc2cnccn2 7a_100011830280_100016995436 [0,1,0,0,0,0|3,0,0]=4 3207 B16R2.252 Cc1cncc(c1)OCc2cncnc2 34a_100011830280_100015196519 [0,1,0,0,0,0|3,0,0]=4 3208 B16R2.252 Cc1cncc(c1)OCc2cncnc2 7a_100011830280_100015196519 [0,1,0,0,0,0|3,0,0]=4 3209 B16R2.252 Cc1cncc(c1)SCc2ccccc2 62a_100000211182_100000760492 [0,1,0,0,0,0|2,0,0]=3 3210 B16R2.252 Cc1cncc(c1)SCc2ccccc2 62a_100000760492_100015291786 [0,1,0,0,0,0|2,0,0]=3 3211 B16R2.252 Cc1cncc(c1)SCc2ccccn2 62a_100000721315_100000760492 [0,1,0,0,0,0|3,0,0]=4 3212 B16R2.252 Cc1cncc(c1)SCc2ccccn2 62a_100000760492_100000721315 [0,1,0,0,0,0|3,0,0]=4 3213 B16R2.252 Cc1cncc(c1)SCc2cccnc2 62a_100000741622_100000760492 [0,1,0,0,0,0|2,0,0]=3 3214 B16R2.252 Cc1cncc(c1)SCc2cccnc2 62a_100000760492_100000741622 [0,1,0,0,0,0|2,0,0]=3 3215 B16R2.252 Cc1cncc(c1)SCc2cccnn2 62a_100000760492_100016990269 [0,1,0,0,0,0|3,0,0]=4 3216 B16R2.252 Cc1cncc(c1)SCc2cccnn2 62a_100016990269_100000760492 [0,1,0,0,0,0|3,0,0]=4 3217 B16R2.252 Cc1cncc(c1)SCc2ccncc2 62a_100000760492_100015193705 [0,1,0,0,0,0|3,0,0]=4 3218 B16R2.252 Cc1cncc(c1)SCc2ccncc2 62a_100015193705_100000760492 [0,1,0,0,0,0|3,0,0]=4 3219 B16R2.252 Cc1cncc(c1)SCc2cnccn2 62a_100000760492_100016995436 [0,1,0,0,0,0|3,0,0]=4 3220 B16R2.252 Cc1cncc(c1)SCc2cnccn2 62a_100016995436_100000760492 [0,1,0,0,0,0|3,0,0]=4 3221 B16R2.252 Cc1cncc(c1)SCc2cncnc2 62a_100000760492_100015196519 [0,1,0,0,0,0|3,0,0]=4 3222 B16R2.252 Cc1cncc(c1)SCc2cncnc2 62a_100015196519_100000760492 [0,1,0,0,0,0|3,0,0]=4 3223 B16R2.252 Cc1cncc(n1)C#Cc2ccccc2 271570a_100000069678_100009842155 [0,1,0,0,0,0|2,0,1]=4 3224 B16R2.252 Cc1cncc(n1)C=Cc2ccccc2 271570a_100102527694_100009842155 [0,1,0,0,0,0|2,0,1]=4 3225 B16R2.252 Cc1cncc(n1)CNc2ccccc2 207a_100000106764_100000100294 [0,1,0,0,0,0|1,0,0]=2 3226 B16R2.252 Cc1cncc(n1)NCc2ccccc2 27a_100015324214_100000754123 [0,1,0,0,0,0|3,0,0]=4 3227 B16R2.252 Cc1cncc(n1)NCc2cccnc2 27a_100000210453_100000754123 [0,1,0,0,0,0|2,0,0]=3 3228 B16R2.252 Cc1cncc(n1)NCc2cccnn2 27a_100159270163_100000754123 [0,1,0,0,0,0|3,0,0]=4 3229 B16R2.252 Cc1cncc(n1)NCc2cnccn2 27a_100000737960_100000754123 [0,1,0,0,0,0|3,0,0]=4 3230 B16R2.252 Cc1cncc(n1)NCc2cncnc2 27a_100011243677_100000754123 [0,1,0,0,0,0|3,0,0]=4 3231 B16R2.252 Cc1cncc(n1)SCc2ccccc2 62a_100000211182_100000754123 [0,1,0,0,0,0|3,0,0]=4 3232 B16R2.252 Cc1cncc(n1)SCc2ccccc2 62a_100000754123_100015291786 [0,1,0,0,0,0|3,0,0]=4 3233 B16R2.252 Cc1cncc(n1)SCc2cccnc2 62a_100000741622_100000754123 [0,1,0,0,0,0|3,0,0]=4 3234 B16R2.252 Cc1cncc(n1)SCc2cccnc2 62a_100000754123_100000741622 [0,1,0,0,0,0|3,0,0]=4 3235 B16R2.252 Cc1cnnc(c1)C#Cc2ccccc2 271570a_100000069678_100000070100 [0,1,0,0,0,0|2,0,1]=4 3236 B16R2.252 Cc1cnnc(c1)C=Cc2ccccc2 271570a_100102527694_100000070100 [0,1,0,0,0,0|2,0,1]=4 3237 B16R2.252 Cc1cnnc(c1)NCc2ccccc2 27a_100015324214_100000070100 [0,1,0,0,0,0|3,0,0]=4 3238 B16R2.252 Cc1cnnc(c1)NCc2cccnc2 27a_100000210453_100000070100 [0,1,0,0,0,0|2,0,0]=3 3239 B16R2.252 Cc1cnnc(c1)NCc2cccnn2 27a_100159270163_100000070100 [0,1,0,0,0,0|3,0,0]=4 3240 B16R2.252 Cc1cnnc(c1)NCc2cnccn2 27a_100000737960_100000070100 [0,1,0,0,0,0|3,0,0]=4 3241 B16R2.252 Cc1cnnc(c1)NCc2cncnc2 27a_100011243677_100000070100 [0,1,0,0,0,0|3,0,0]=4 3242 B16R2.252 Cc1cnnc(c1)OCc2ccccc2 34a_100000766097_100015291786 [0,1,0,0,0,0|3,0,0]=4 3243 B16R2.252 Cc1cnnc(c1)OCc2cccnc2 34a_100000766097_100000733263 [0,1,0,0,0,0|3,0,0]=4 3244 B16R2.252 Cc1cnnc(c1)SCc2ccccc2 62a_100000070100_100015291786 [0,1,0,0,0,0|3,0,0]=4 3245 B16R2.252 Cc1cnnc(c1)SCc2ccccc2 62a_100000211182_100000070100 [0,1,0,0,0,0|3,0,0]=4 3246 B16R2.252 Cc1cnnc(c1)SCc2cccnc2 62a_100000070100_100000741622 [0,1,0,0,0,0|3,0,0]=4 3247 B16R2.252 Cc1cnnc(c1)SCc2cccnc2 62a_100000741622_100000070100 [0,1,0,0,0,0|3,0,0]=4 3248 B16R2.252 Cc1nccc(n1)NCc2ccccc2 27a_100015324214_100000749937 [0,1,0,0,0,0|3,0,0]=4 3249 B16R2.252 Cc1nccc(n1)NCc2cccnc2 27a_100000210453_100000749937 [0,1,0,0,0,0|2,0,0]=3 3250 B16R2.252 Cc1nccc(n1)NCc2cccnn2 27a_100159270163_100000749937 [0,1,0,0,0,0|3,0,0]=4 3251 B16R2.252 Cc1nccc(n1)NCc2cnccn2 27a_100000737960_100000749937 [0,1,0,0,0,0|3,0,0]=4 3252 B16R2.252 Cc1nccc(n1)NCc2cncnc2 27a_100011243677_100000749937 [0,1,0,0,0,0|3,0,0]=4 3253 B16R2.252 Cc1nccc(n1)SCc2cccnc2 62a_100000741622_100000749937 [0,1,0,0,0,0|3,0,0]=4 3254 B16R2.252 Cc1nccc(n1)SCc2cccnc2 62a_100000749937_100000741622 [0,1,0,0,0,0|3,0,0]=4 3255 B16R2.252 Clc1cc(ccn1)C=Cc2cccnc2 271570a_100102525586_100000035001 [0,1,0,0,0,0|2,0,1]=4 3256 B16R2.252 Clc1cc(ccn1)CNc2ccccc2 34a_100000106764_100000764220 [0,1,0,0,0,0|2,0,0]=3 3257 B16R2.252 Clc1cc(ccn1)COc2ccccc2 34a_100000210340_100000764220 [0,1,0,0,0,0|3,0,0]=4 3258 B16R2.252 Clc1cc(ccn1)COc2ccccc2 7a_100000210340_100000764220 [0,1,0,0,0,0|3,0,0]=4 3259 B16R2.252 Clc1cc(ccn1)COc2cccnc2 34a_100000210849_100000764220 [0,1,0,0,0,0|3,0,0]=4 3260 B16R2.252 Clc1cc(ccn1)COc2cccnc2 7a_100000210849_100000764220 [0,1,0,0,0,0|3,0,0]=4 3261 B16R2.252 Clc1cc(ccn1)CSc2ccccc2 62a_100000719477_100000764220 [0,1,0,0,0,0|3,0,0]=4 3262 B16R2.252 Clc1cc(ccn1)CSc2ccccc2 62a_100000764220_100000041952 [0,1,0,0,0,0|3,0,0]=4 3263 B16R2.252 Clc1cc(ccn1)CSc2cccnc2 62a_100000210063_100000764220 [0,1,0,0,0,0|3,0,0]=4 3264 B16R2.252 Clc1cc(ccn1)CSc2cccnc2 62a_100000764220_100000210063 [0,1,0,0,0,0|3,0,0]=4 3265 B16R2.252 Clc1cc(ccn1)OCc2ccccc2 34a_100000762945_100015291786 [0,1,0,0,0,0|3,0,0]=4 3266 B16R2.252 Clc1cc(ccn1)OCc2cccnc2 34a_100000762945_100000733263 [0,1,0,0,0,0|2,0,0]=3 3267 B16R2.252 Clc1cc(ccn1)OCc2cccnn2 34a_100000762945_100016990269 [0,1,0,0,0,0|3,0,0]=4 3268 B16R2.252 Clc1cc(ccn1)OCc2cnccn2 34a_100000762945_100016995436 [0,1,0,0,0,0|3,0,0]=4 3269 B16R2.252 Clc1cc(ccn1)OCc2cncnc2 34a_100000762945_100015196519 [0,1,0,0,0,0|3,0,0]=4 3270 B16R2.252 Clc1cc(ccn1)SCc2ccccc2 62a_100000035001_100015291786 [0,1,0,0,0,0|3,0,0]=4 3271 B16R2.252 Clc1cc(ccn1)SCc2ccccc2 62a_100000211182_100000035001 [0,1,0,0,0,0|3,0,0]=4 3272 B16R2.252 Clc1cc(ccn1)SCc2cccnc2 62a_100000035001_100000741622 [0,1,0,0,0,0|2,0,0]=3 3273 B16R2.252 Clc1cc(ccn1)SCc2cccnc2 62a_100000741622_100000035001 [0,1,0,0,0,0|2,0,0]=3 3274 B16R2.252 Clc1cc(ccn1)SCc2cccnn2 62a_100000035001_100016990269 [0,1,0,0,0,0|3,0,0]=4 3275 B16R2.252 Clc1cc(ccn1)SCc2cccnn2 62a_100016990269_100000035001 [0,1,0,0,0,0|3,0,0]=4 3276 B16R2.252 Clc1cc(ccn1)SCc2cnccn2 62a_100000035001_100016995436 [0,1,0,0,0,0|3,0,0]=4 3277 B16R2.252 Clc1cc(ccn1)SCc2cnccn2 62a_100016995436_100000035001 [0,1,0,0,0,0|3,0,0]=4 3278 B16R2.252 Clc1cc(ccn1)SCc2cncnc2 62a_100000035001_100015196519 [0,1,0,0,0,0|3,0,0]=4 3279 B16R2.252 Clc1cc(ccn1)SCc2cncnc2 62a_100015196519_100000035001 [0,1,0,0,0,0|3,0,0]=4 3280 B16R2.252 Clc1cc(cnn1)OCc2ccccc2 34a_200010734679_100015291786 [0,1,0,0,0,0|3,0,0]=4 3281 B16R2.252 Clc1cc(cnn1)OCc2cccnc2 34a_200010734679_100000733263 [0,1,0,0,0,0|3,0,0]=4 3282 B16R2.252 Clc1cc(ncn1)SCc2cccnc2 62a_100000741622_100010161198 [0,1,0,0,0,0|3,0,0]=4 3283 B16R2.252 Clc1cc(ncn1)SCc2cccnc2 62a_100010161198_100000741622 [0,1,0,0,0,0|3,0,0]=4 3284 B16R2.252 Clc1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100000699651 [0,1,0,0,0,0|2,0,1]=4 3285 B16R2.252 Clc1cccc(c1)C=Cc2ccccc2 271570a_100102525933_100000210277 [0,1,0,0,0,0|2,0,1]=4 3286 B16R2.252 Clc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000699651 [0,1,0,0,0,0|2,0,1]=4 3287 B16R2.252 Clc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000699651 [0,1,0,0,0,0|1,0,1]=3 3288 B16R2.252 Clc1cccc(c1)C=Cc2cccnc2 271570a_100102525933_100000752921 [0,1,0,0,0,0|1,0,1]=3 3289 B16R2.252 Clc1cccc(c1)C=Cc2cccnn2 271570a_100102525933_100016991348 [0,1,0,0,0,0|2,0,1]=4 3290 B16R2.252 Clc1cccc(c1)C=Cc2ccnnc2 271570a_100102525933_100000732662 [0,1,0,0,0,0|2,0,1]=4 3291 B16R2.252 Clc1cccc(c1)C=Cc2cnccn2 271570a_100102525933_100000758340 [0,1,0,0,0,0|2,0,1]=4 3292 B16R2.252 Clc1cccc(c1)C=Cc2cncnc2 271570a_100102525933_100011206942 [0,1,0,0,0,0|2,0,1]=4 3293 B16R2.252 Clc1cccc(c1)CNc2ccccc2 207a_100000106764_100000210801 [0,1,0,0,0,0|1,0,0]=2 3294 B16R2.252 Clc1cccc(c1)CNc2ccccc2 270302a_100000106764_100000210801 [0,1,0,0,0,0|1,0,0]=2 3295 B16R2.252 Clc1cccc(c1)CNc2ccccc2 34a_100000106764_100000187163 [0,1,0,0,0,0|1,0,0]=2 3296 B16R2.252 Clc1cccc(c1)CNc2cccnn2 27a_100000174878_100016991348 [0,1,0,0,0,0|3,0,0]=4 3297 B16R2.252 Clc1cccc(c1)CNc2ccncn2 27a_100000174878_100000703185 [0,1,0,0,0,0|3,0,0]=4 3298 B16R2.252 Clc1cccc(c1)CNc2cnccn2 27a_100000174878_100000211759 [0,1,0,0,0,0|3,0,0]=4 3299 B16R2.252 Clc1cccc(c1)CNc2ncccn2 27a_100000174878_100000211032 [0,1,0,0,0,0|3,0,0]=4 3300 B16R2.252 Clc1cccc(c1)COc2ccccc2 34a_100000210340_100000187163 [0,1,0,0,0,0|2,0,0]=3 3301 B16R2.252 Clc1cccc(c1)COc2ccccc2 7a_100000210340_100000187163 [0,1,0,0,0,0|2,0,0]=3 3302 B16R2.252 Clc1cccc(c1)COc2cccnc2 34a_100000210849_100000187163 [0,1,0,0,0,0|2,0,0]=3 3303 B16R2.252 Clc1cccc(c1)COc2cccnc2 7a_100000210849_100000187163 [0,1,0,0,0,0|2,0,0]=3 3304 B16R2.252 Clc1cccc(c1)COc2ccncc2 34a_100000212176_100000187163 [0,1,0,0,0,0|3,0,0]=4 3305 B16R2.252 Clc1cccc(c1)COc2ccnnc2 34a_100015204005_100000187163 [0,1,0,0,0,0|3,0,0]=4 3306 B16R2.252 Clc1cccc(c1)COc2cncnc2 7a_100000754086_100000187163 [0,1,0,0,0,0|3,0,0]=4 3307 B16R2.252 Clc1cccc(c1)CSc2ccccc2 62a_100000187163_100000041952 [0,1,0,0,0,0|2,0,0]=3 3308 B16R2.252 Clc1cccc(c1)CSc2ccccc2 62a_100000719477_100000187163 [0,1,0,0,0,0|2,0,0]=3 3309 B16R2.252 Clc1cccc(c1)CSc2ccccn2 62a_100000187163_100011216584 [0,1,0,0,0,0|3,0,0]=4 3310 B16R2.252 Clc1cccc(c1)CSc2ccccn2 62a_100011216584_100000187163 [0,1,0,0,0,0|3,0,0]=4 3311 B16R2.252 Clc1cccc(c1)CSc2cccnc2 62a_100000187163_100000210063 [0,1,0,0,0,0|2,0,0]=3 3312 B16R2.252 Clc1cccc(c1)CSc2cccnc2 62a_100000210063_100000187163 [0,1,0,0,0,0|2,0,0]=3 3313 B16R2.252 Clc1cccc(c1)CSc2cccnn2 62a_100000187163_100016991348 [0,1,0,0,0,0|3,0,0]=4 3314 B16R2.252 Clc1cccc(c1)CSc2cccnn2 62a_100016991348_100000187163 [0,1,0,0,0,0|3,0,0]=4 3315 B16R2.252 Clc1cccc(c1)CSc2ccncc2 62a_100000187163_100000728582 [0,1,0,0,0,0|3,0,0]=4 3316 B16R2.252 Clc1cccc(c1)CSc2ccncc2 62a_100000728582_100000187163 [0,1,0,0,0,0|3,0,0]=4 3317 B16R2.252 Clc1cccc(c1)CSc2ccnnc2 62a_100000187163_100000732662 [0,1,0,0,0,0|3,0,0]=4 3318 B16R2.252 Clc1cccc(c1)CSc2ccnnc2 62a_100000732662_100000187163 [0,1,0,0,0,0|3,0,0]=4 3319 B16R2.252 Clc1cccc(c1)CSc2cnccn2 62a_100000187163_100000211759 [0,1,0,0,0,0|3,0,0]=4 3320 B16R2.252 Clc1cccc(c1)CSc2cnccn2 62a_100000211759_100000187163 [0,1,0,0,0,0|3,0,0]=4 3321 B16R2.252 Clc1cccc(c1)CSc2cncnc2 62a_100000187163_100011206942 [0,1,0,0,0,0|3,0,0]=4 3322 B16R2.252 Clc1cccc(c1)CSc2cncnc2 62a_100011206942_100000187163 [0,1,0,0,0,0|3,0,0]=4 3323 B16R2.252 Clc1cccc(c1)NCc2ccccc2 207a_100000185859_100015611070 [0,1,0,0,0,0|1,0,0]=2 3324 B16R2.252 Clc1cccc(c1)NCc2ccccc2 270302a_100000185859_100015611070 [0,1,0,0,0,0|1,0,0]=2 3325 B16R2.252 Clc1cccc(c1)NCc2ccccc2 34a_100000185859_100015291786 [0,1,0,0,0,0|1,0,0]=2 3326 B16R2.252 Clc1cccc(c1)NCc2ccccn2 207a_100000185859_100000209966 [0,1,0,0,0,0|2,0,0]=3 3327 B16R2.252 Clc1cccc(c1)NCc2ccccn2 270302a_100000185859_100000209966 [0,1,0,0,0,0|2,0,0]=3 3328 B16R2.252 Clc1cccc(c1)NCc2ccccn2 34a_100000185859_100000721315 [0,1,0,0,0,0|2,0,0]=3 3329 B16R2.252 Clc1cccc(c1)NCc2cccnc2 207a_100000185859_100000209961 [0,1,0,0,0,0|0,0,0]=1 3330 B16R2.252 Clc1cccc(c1)NCc2cccnc2 270302a_100000185859_100000209961 [0,1,0,0,0,0|0,0,0]=1 3331 B16R2.252 Clc1cccc(c1)NCc2cccnc2 34a_100000185859_100000733263 [0,1,0,0,0,0|0,0,0]=1 3332 B16R2.252 Clc1cccc(c1)NCc2cccnn2 34a_100000185859_100016990269 [0,1,0,0,0,0|1,0,0]=2 3333 B16R2.252 Clc1cccc(c1)NCc2ccncc2 207a_100000185859_100000186114 [0,1,0,0,0,0|2,0,0]=3 3334 B16R2.252 Clc1cccc(c1)NCc2ccnnc2 270302a_100000185859_100011934578 [0,1,0,0,0,0|1,0,0]=2 3335 B16R2.252 Clc1cccc(c1)NCc2cnccn2 34a_100000185859_100016995436 [0,1,0,0,0,0|1,0,0]=2 3336 B16R2.252 Clc1cccc(c1)NCc2cncnc2 270302a_100000185859_100000749868 [0,1,0,0,0,0|1,0,0]=2 3337 B16R2.252 Clc1cccc(c1)NCc2cncnc2 34a_100000185859_100015196519 [0,1,0,0,0,0|1,0,0]=2 3338 B16R2.252 Clc1cccc(c1)NCc2ncccn2 34a_100000185859_100000703007 [0,1,0,0,0,0|3,0,0]=4 3339 B16R2.252 Clc1cccc(c1)OCc2ccccc2 34a_100000210295_100015291786 [0,1,0,0,0,0|2,0,0]=3 3340 B16R2.252 Clc1cccc(c1)OCc2ccccc2 7a_100000210295_100000211182 [0,1,0,0,0,0|2,0,0]=3 3341 B16R2.252 Clc1cccc(c1)OCc2ccccn2 34a_100000210295_100000721315 [0,1,0,0,0,0|3,0,0]=4 3342 B16R2.252 Clc1cccc(c1)OCc2ccccn2 7a_100000210295_100000721315 [0,1,0,0,0,0|3,0,0]=4 3343 B16R2.252 Clc1cccc(c1)OCc2cccnc2 34a_100000210295_100000733263 [0,1,0,0,0,0|1,0,0]=2 3344 B16R2.252 Clc1cccc(c1)OCc2cccnc2 7a_100000210295_100000741622 [0,1,0,0,0,0|1,0,0]=2 3345 B16R2.252 Clc1cccc(c1)OCc2cccnn2 34a_100000210295_100016990269 [0,1,0,0,0,0|2,0,0]=3 3346 B16R2.252 Clc1cccc(c1)OCc2cccnn2 7a_100000210295_100016990269 [0,1,0,0,0,0|2,0,0]=3 3347 B16R2.252 Clc1cccc(c1)OCc2ccncc2 7a_100000210295_100015193705 [0,1,0,0,0,0|3,0,0]=4 3348 B16R2.252 Clc1cccc(c1)OCc2cnccn2 34a_100000210295_100016995436 [0,1,0,0,0,0|2,0,0]=3 3349 B16R2.252 Clc1cccc(c1)OCc2cnccn2 7a_100000210295_100016995436 [0,1,0,0,0,0|2,0,0]=3 3350 B16R2.252 Clc1cccc(c1)OCc2cncnc2 34a_100000210295_100015196519 [0,1,0,0,0,0|2,0,0]=3 3351 B16R2.252 Clc1cccc(c1)OCc2cncnc2 7a_100000210295_100015196519 [0,1,0,0,0,0|2,0,0]=3 3352 B16R2.252 Clc1cccc(c1)SCc2ccccc2 62a_100000211182_100000699651 [0,1,0,0,0,0|2,0,0]=3 3353 B16R2.252 Clc1cccc(c1)SCc2ccccc2 62a_100000699651_100015291786 [0,1,0,0,0,0|2,0,0]=3 3354 B16R2.252 Clc1cccc(c1)SCc2ccccn2 62a_100000699651_100000721315 [0,1,0,0,0,0|3,0,0]=4 3355 B16R2.252 Clc1cccc(c1)SCc2ccccn2 62a_100000721315_100000699651 [0,1,0,0,0,0|3,0,0]=4 3356 B16R2.252 Clc1cccc(c1)SCc2cccnc2 62a_100000699651_100000741622 [0,1,0,0,0,0|1,0,0]=2 3357 B16R2.252 Clc1cccc(c1)SCc2cccnc2 62a_100000741622_100000699651 [0,1,0,0,0,0|1,0,0]=2 3358 B16R2.252 Clc1cccc(c1)SCc2cccnn2 62a_100000699651_100016990269 [0,1,0,0,0,0|2,0,0]=3 3359 B16R2.252 Clc1cccc(c1)SCc2cccnn2 62a_100016990269_100000699651 [0,1,0,0,0,0|2,0,0]=3 3360 B16R2.252 Clc1cccc(c1)SCc2ccncc2 62a_100000699651_100015193705 [0,1,0,0,0,0|3,0,0]=4 3361 B16R2.252 Clc1cccc(c1)SCc2ccncc2 62a_100015193705_100000699651 [0,1,0,0,0,0|3,0,0]=4 3362 B16R2.252 Clc1cccc(c1)SCc2cnccn2 62a_100000699651_100016995436 [0,1,0,0,0,0|2,0,0]=3 3363 B16R2.252 Clc1cccc(c1)SCc2cnccn2 62a_100016995436_100000699651 [0,1,0,0,0,0|2,0,0]=3 3364 B16R2.252 Clc1cccc(c1)SCc2cncnc2 62a_100000699651_100015196519 [0,1,0,0,0,0|2,0,0]=3 3365 B16R2.252 Clc1cccc(c1)SCc2cncnc2 62a_100015196519_100000699651 [0,1,0,0,0,0|2,0,0]=3 3366 B16R2.252 Clc1cccc(n1)CNc2ccccc2 34a_100000106764_100000086093 [0,1,0,0,0,0|2,0,0]=3 3367 B16R2.252 Clc1cccc(n1)COc2ccccc2 34a_100000210340_100000086093 [0,1,0,0,0,0|3,0,0]=4 3368 B16R2.252 Clc1cccc(n1)COc2ccccc2 7a_100000210340_100000086093 [0,1,0,0,0,0|3,0,0]=4 3369 B16R2.252 Clc1cccc(n1)COc2cccnc2 34a_100000210849_100000086093 [0,1,0,0,0,0|3,0,0]=4 3370 B16R2.252 Clc1cccc(n1)COc2cccnc2 7a_100000210849_100000086093 [0,1,0,0,0,0|3,0,0]=4 3371 B16R2.252 Clc1cccc(n1)CSc2ccccc2 62a_100000086093_100000041952 [0,1,0,0,0,0|3,0,0]=4 3372 B16R2.252 Clc1cccc(n1)CSc2ccccc2 62a_100000719477_100000086093 [0,1,0,0,0,0|3,0,0]=4 3373 B16R2.252 Clc1cccc(n1)CSc2cccnc2 62a_100000086093_100000210063 [0,1,0,0,0,0|3,0,0]=4 3374 B16R2.252 Clc1cccc(n1)CSc2cccnc2 62a_100000210063_100000086093 [0,1,0,0,0,0|3,0,0]=4 3375 B16R2.252 Clc1cccc(n1)SCc2ccccc2 62a_100000051397_100015291786 [0,1,0,0,0,0|3,0,0]=4 3376 B16R2.252 Clc1cccc(n1)SCc2ccccc2 62a_100000211182_100000051397 [0,1,0,0,0,0|3,0,0]=4 3377 B16R2.252 Clc1cccc(n1)SCc2cccnc2 62a_100000051397_100000741622 [0,1,0,0,0,0|2,0,0]=3 3378 B16R2.252 Clc1cccc(n1)SCc2cccnc2 62a_100000741622_100000051397 [0,1,0,0,0,0|2,0,0]=3 3379 B16R2.252 Clc1cccc(n1)SCc2cccnn2 62a_100000051397_100016990269 [0,1,0,0,0,0|3,0,0]=4 3380 B16R2.252 Clc1cccc(n1)SCc2cccnn2 62a_100016990269_100000051397 [0,1,0,0,0,0|3,0,0]=4 3381 B16R2.252 Clc1cccc(n1)SCc2cnccn2 62a_100000051397_100016995436 [0,1,0,0,0,0|3,0,0]=4 3382 B16R2.252 Clc1cccc(n1)SCc2cnccn2 62a_100016995436_100000051397 [0,1,0,0,0,0|3,0,0]=4 3383 B16R2.252 Clc1cccc(n1)SCc2cncnc2 62a_100000051397_100015196519 [0,1,0,0,0,0|3,0,0]=4 3384 B16R2.252 Clc1cccc(n1)SCc2cncnc2 62a_100015196519_100000051397 [0,1,0,0,0,0|3,0,0]=4 3385 B16R2.252 Clc1ccnc(c1)C=Cc2cccnc2 271570a_100102525586_100010167805 [0,1,0,0,0,0|2,0,1]=4 3386 B16R2.252 Clc1ccnc(c1)CNc2ccccc2 34a_100000106764_100016988179 [0,1,0,0,0,0|2,0,0]=3 3387 B16R2.252 Clc1ccnc(c1)COc2ccccc2 34a_100000210340_100016988179 [0,1,0,0,0,0|3,0,0]=4 3388 B16R2.252 Clc1ccnc(c1)COc2ccccc2 7a_100000210340_100016988179 [0,1,0,0,0,0|3,0,0]=4 3389 B16R2.252 Clc1ccnc(c1)COc2cccnc2 34a_100000210849_100016988179 [0,1,0,0,0,0|3,0,0]=4 3390 B16R2.252 Clc1ccnc(c1)COc2cccnc2 7a_100000210849_100016988179 [0,1,0,0,0,0|3,0,0]=4 3391 B16R2.252 Clc1ccnc(c1)CSc2ccccc2 62a_100000719477_100016988179 [0,1,0,0,0,0|3,0,0]=4 3392 B16R2.252 Clc1ccnc(c1)CSc2ccccc2 62a_100016988179_100000041952 [0,1,0,0,0,0|3,0,0]=4 3393 B16R2.252 Clc1ccnc(c1)CSc2cccnc2 62a_100000210063_100016988179 [0,1,0,0,0,0|3,0,0]=4 3394 B16R2.252 Clc1ccnc(c1)CSc2cccnc2 62a_100016988179_100000210063 [0,1,0,0,0,0|3,0,0]=4 3395 B16R2.252 Clc1ccnc(c1)SCc2ccccc2 62a_100000211182_100010167805 [0,1,0,0,0,0|3,0,0]=4 3396 B16R2.252 Clc1ccnc(c1)SCc2ccccc2 62a_100010167805_100015291786 [0,1,0,0,0,0|3,0,0]=4 3397 B16R2.252 Clc1ccnc(c1)SCc2cccnc2 62a_100000741622_100010167805 [0,1,0,0,0,0|2,0,0]=3 3398 B16R2.252 Clc1ccnc(c1)SCc2cccnc2 62a_100010167805_100000741622 [0,1,0,0,0,0|2,0,0]=3 3399 B16R2.252 Clc1ccnc(c1)SCc2cccnn2 62a_100010167805_100016990269 [0,1,0,0,0,0|3,0,0]=4 3400 B16R2.252 Clc1ccnc(c1)SCc2cccnn2 62a_100016990269_100010167805 [0,1,0,0,0,0|3,0,0]=4 3401 B16R2.252 Clc1ccnc(c1)SCc2cnccn2 62a_100010167805_100016995436 [0,1,0,0,0,0|3,0,0]=4 3402 B16R2.252 Clc1ccnc(c1)SCc2cnccn2 62a_100016995436_100010167805 [0,1,0,0,0,0|3,0,0]=4 3403 B16R2.252 Clc1ccnc(c1)SCc2cncnc2 62a_100010167805_100015196519 [0,1,0,0,0,0|3,0,0]=4 3404 B16R2.252 Clc1ccnc(c1)SCc2cncnc2 62a_100015196519_100010167805 [0,1,0,0,0,0|3,0,0]=4 3405 B16R2.252 Clc1cncc(c1)C#Cc2ccccc2 271570a_100000069678_100000049639 [0,1,0,0,0,0|1,0,1]=3 3406 B16R2.252 Clc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100000049639 [0,1,0,0,0,0|1,0,1]=3 3407 B16R2.252 Clc1cncc(c1)C=Cc2cccnc2 271570a_100102525586_100000049639 [0,1,0,0,0,0|2,0,1]=4 3408 B16R2.252 Clc1cncc(c1)CNc2ccccc2 207a_100000106764_100000088910 [0,1,0,0,0,0|0,0,0]=1 3409 B16R2.252 Clc1cncc(c1)CNc2ccccc2 270302a_100000106764_100000088910 [0,1,0,0,0,0|0,0,0]=1 3410 B16R2.252 Clc1cncc(c1)CNc2ccccc2 34a_100000106764_100016992070 [0,1,0,0,0,0|0,0,0]=1 3411 B16R2.252 Clc1cncc(c1)CNc2cccnn2 27a_200020614424_100016991348 [0,1,0,0,0,0|2,0,0]=3 3412 B16R2.252 Clc1cncc(c1)CNc2ccncn2 27a_200020614424_100000703185 [0,1,0,0,0,0|2,0,0]=3 3413 B16R2.252 Clc1cncc(c1)CNc2cnccn2 27a_200020614424_100000211759 [0,1,0,0,0,0|2,0,0]=3 3414 B16R2.252 Clc1cncc(c1)CNc2ncccn2 27a_200020614424_100000211032 [0,1,0,0,0,0|2,0,0]=3 3415 B16R2.252 Clc1cncc(c1)COc2ccccc2 34a_100000210340_100016992070 [0,1,0,0,0,0|1,0,0]=2 3416 B16R2.252 Clc1cncc(c1)COc2ccccc2 7a_100000210340_100016992070 [0,1,0,0,0,0|1,0,0]=2 3417 B16R2.252 Clc1cncc(c1)COc2cccnc2 34a_100000210849_100016992070 [0,1,0,0,0,0|2,0,0]=3 3418 B16R2.252 Clc1cncc(c1)COc2cccnc2 7a_100000210849_100016992070 [0,1,0,0,0,0|2,0,0]=3 3419 B16R2.252 Clc1cncc(c1)COc2ccncc2 34a_100000212176_100016992070 [0,1,0,0,0,0|2,0,0]=3 3420 B16R2.252 Clc1cncc(c1)COc2ccnnc2 34a_100015204005_100016992070 [0,1,0,0,0,0|3,0,0]=4 3421 B16R2.252 Clc1cncc(c1)COc2cncnc2 7a_100000754086_100016992070 [0,1,0,0,0,0|3,0,0]=4 3422 B16R2.252 Clc1cncc(c1)CSc2ccccc2 62a_100000719477_100016992070 [0,1,0,0,0,0|1,0,0]=2 3423 B16R2.252 Clc1cncc(c1)CSc2ccccc2 62a_100016992070_100000041952 [0,1,0,0,0,0|1,0,0]=2 3424 B16R2.252 Clc1cncc(c1)CSc2ccccn2 62a_100011216584_100016992070 [0,1,0,0,0,0|2,0,0]=3 3425 B16R2.252 Clc1cncc(c1)CSc2ccccn2 62a_100016992070_100011216584 [0,1,0,0,0,0|2,0,0]=3 3426 B16R2.252 Clc1cncc(c1)CSc2cccnc2 62a_100000210063_100016992070 [0,1,0,0,0,0|2,0,0]=3 3427 B16R2.252 Clc1cncc(c1)CSc2cccnc2 62a_100016992070_100000210063 [0,1,0,0,0,0|2,0,0]=3 3428 B16R2.252 Clc1cncc(c1)CSc2cccnn2 62a_100016991348_100016992070 [0,1,0,0,0,0|3,0,0]=4 3429 B16R2.252 Clc1cncc(c1)CSc2cccnn2 62a_100016992070_100016991348 [0,1,0,0,0,0|3,0,0]=4 3430 B16R2.252 Clc1cncc(c1)CSc2ccncc2 62a_100000728582_100016992070 [0,1,0,0,0,0|2,0,0]=3 3431 B16R2.252 Clc1cncc(c1)CSc2ccncc2 62a_100016992070_100000728582 [0,1,0,0,0,0|2,0,0]=3 3432 B16R2.252 Clc1cncc(c1)CSc2ccncn2 62a_100000703185_100016992070 [0,1,0,0,0,0|3,0,0]=4 3433 B16R2.252 Clc1cncc(c1)CSc2ccncn2 62a_100016992070_100000703185 [0,1,0,0,0,0|3,0,0]=4 3434 B16R2.252 Clc1cncc(c1)CSc2ccnnc2 62a_100000732662_100016992070 [0,1,0,0,0,0|3,0,0]=4 3435 B16R2.252 Clc1cncc(c1)CSc2ccnnc2 62a_100016992070_100000732662 [0,1,0,0,0,0|3,0,0]=4 3436 B16R2.252 Clc1cncc(c1)CSc2cnccn2 62a_100000211759_100016992070 [0,1,0,0,0,0|3,0,0]=4 3437 B16R2.252 Clc1cncc(c1)CSc2cnccn2 62a_100016992070_100000211759 [0,1,0,0,0,0|3,0,0]=4 3438 B16R2.252 Clc1cncc(c1)CSc2cncnc2 62a_100011206942_100016992070 [0,1,0,0,0,0|3,0,0]=4 3439 B16R2.252 Clc1cncc(c1)CSc2cncnc2 62a_100016992070_100011206942 [0,1,0,0,0,0|3,0,0]=4 3440 B16R2.252 Clc1cncc(c1)CSc2ncccn2 62a_100000211032_100016992070 [0,1,0,0,0,0|3,0,0]=4 3441 B16R2.252 Clc1cncc(c1)CSc2ncccn2 62a_100016992070_100000211032 [0,1,0,0,0,0|3,0,0]=4 3442 B16R2.252 Clc1cncc(c1)OCc2ccccc2 7a_100000032511_100000211182 [0,1,0,0,0,0|2,0,0]=3 3443 B16R2.252 Clc1cncc(c1)OCc2ccccn2 7a_100000032511_100000721315 [0,1,0,0,0,0|3,0,0]=4 3444 B16R2.252 Clc1cncc(c1)OCc2cccnc2 7a_100000032511_100000741622 [0,1,0,0,0,0|2,0,0]=3 3445 B16R2.252 Clc1cncc(c1)OCc2cccnn2 7a_100000032511_100016990269 [0,1,0,0,0,0|3,0,0]=4 3446 B16R2.252 Clc1cncc(c1)OCc2ccncc2 7a_100000032511_100015193705 [0,1,0,0,0,0|3,0,0]=4 3447 B16R2.252 Clc1cncc(c1)OCc2cnccn2 7a_100000032511_100016995436 [0,1,0,0,0,0|3,0,0]=4 3448 B16R2.252 Clc1cncc(c1)OCc2cncnc2 7a_100000032511_100015196519 [0,1,0,0,0,0|3,0,0]=4 3449 B16R2.252 Clc1cncc(c1)SCc2ccccc2 62a_100000049639_100015291786 [0,1,0,0,0,0|2,0,0]=3 3450 B16R2.252 Clc1cncc(c1)SCc2ccccc2 62a_100000211182_100000049639 [0,1,0,0,0,0|2,0,0]=3 3451 B16R2.252 Clc1cncc(c1)SCc2ccccn2 62a_100000049639_100000721315 [0,1,0,0,0,0|3,0,0]=4 3452 B16R2.252 Clc1cncc(c1)SCc2ccccn2 62a_100000721315_100000049639 [0,1,0,0,0,0|3,0,0]=4 3453 B16R2.252 Clc1cncc(c1)SCc2cccnc2 62a_100000049639_100000741622 [0,1,0,0,0,0|2,0,0]=3 3454 B16R2.252 Clc1cncc(c1)SCc2cccnc2 62a_100000741622_100000049639 [0,1,0,0,0,0|2,0,0]=3 3455 B16R2.252 Clc1cncc(c1)SCc2cccnn2 62a_100000049639_100016990269 [0,1,0,0,0,0|3,0,0]=4 3456 B16R2.252 Clc1cncc(c1)SCc2cccnn2 62a_100016990269_100000049639 [0,1,0,0,0,0|3,0,0]=4 3457 B16R2.252 Clc1cncc(c1)SCc2ccncc2 62a_100000049639_100015193705 [0,1,0,0,0,0|3,0,0]=4 3458 B16R2.252 Clc1cncc(c1)SCc2ccncc2 62a_100015193705_100000049639 [0,1,0,0,0,0|3,0,0]=4 3459 B16R2.252 Clc1cncc(c1)SCc2cnccn2 62a_100000049639_100016995436 [0,1,0,0,0,0|3,0,0]=4 3460 B16R2.252 Clc1cncc(c1)SCc2cnccn2 62a_100016995436_100000049639 [0,1,0,0,0,0|3,0,0]=4 3461 B16R2.252 Clc1cncc(c1)SCc2cncnc2 62a_100000049639_100015196519 [0,1,0,0,0,0|3,0,0]=4 3462 B16R2.252 Clc1cncc(c1)SCc2cncnc2 62a_100015196519_100000049639 [0,1,0,0,0,0|3,0,0]=4 3463 B16R2.252 Clc1cncc(n1)NCc2ccccc2 27a_100015324214_100010892449 [0,1,0,0,0,0|3,0,0]=4 3464 B16R2.252 Clc1cncc(n1)NCc2cccnc2 27a_100000210453_100010892449 [0,1,0,0,0,0|2,0,0]=3 3465 B16R2.252 Clc1cncc(n1)NCc2cccnn2 27a_100159270163_100010892449 [0,1,0,0,0,0|3,0,0]=4 3466 B16R2.252 Clc1cncc(n1)NCc2cnccn2 27a_100000737960_100010892449 [0,1,0,0,0,0|3,0,0]=4 3467 B16R2.252 Clc1cncc(n1)NCc2cncnc2 27a_100011243677_100010892449 [0,1,0,0,0,0|3,0,0]=4 3468 B16R2.252 Clc1cncc(n1)SCc2ccccc2 62a_100000211182_100010892449 [0,1,0,0,0,0|3,0,0]=4 3469 B16R2.252 Clc1cncc(n1)SCc2ccccc2 62a_100010892449_100015291786 [0,1,0,0,0,0|3,0,0]=4 3470 B16R2.252 Clc1cncc(n1)SCc2cccnc2 62a_100000741622_100010892449 [0,1,0,0,0,0|3,0,0]=4 3471 B16R2.252 Clc1cncc(n1)SCc2cccnc2 62a_100010892449_100000741622 [0,1,0,0,0,0|3,0,0]=4 3472 B16R2.252 Clc1nccc(n1)CNc2ccccc2 34a_100000106764_100000099655 [0,1,0,0,0,0|3,0,0]=4 3473 B16R2.252 Clc1nccc(n1)SCc2cccnc2 62a_100000741622_100010154678 [0,1,0,0,0,0|3,0,0]=4 3474 B16R2.252 Clc1nccc(n1)SCc2cccnc2 62a_100010154678_100000741622 [0,1,0,0,0,0|3,0,0]=4 3475 B16R2.252 Fc1cc(ccn1)C=Cc2cccnc2 271570a_100102525586_100009816116 [0,1,0,0,0,0|2,0,1]=4 3476 B16R2.252 Fc1cc(ccn1)NCc2ccccc2 27a_100015324214_100009816116 [0,1,0,0,0,0|2,0,0]=3 3477 B16R2.252 Fc1cc(ccn1)NCc2ccccn2 27a_100000210449_100009816116 [0,1,0,0,0,0|3,0,0]=4 3478 B16R2.252 Fc1cc(ccn1)NCc2cccnc2 27a_100000210453_100009816116 [0,1,0,0,0,0|1,0,0]=2 3479 B16R2.252 Fc1cc(ccn1)NCc2cccnn2 27a_100159270163_100009816116 [0,1,0,0,0,0|2,0,0]=3 3480 B16R2.252 Fc1cc(ccn1)NCc2ccncc2 27a_100000210450_100009816116 [0,1,0,0,0,0|3,0,0]=4 3481 B16R2.252 Fc1cc(ccn1)NCc2cnccn2 27a_100000737960_100009816116 [0,1,0,0,0,0|2,0,0]=3 3482 B16R2.252 Fc1cc(ccn1)NCc2cncnc2 27a_100011243677_100009816116 [0,1,0,0,0,0|2,0,0]=3 3483 B16R2.252 Fc1cc(ccn1)OCc2ccccc2 34a_100000732698_100015291786 [0,1,0,0,0,0|3,0,0]=4 3484 B16R2.252 Fc1cc(ccn1)OCc2cccnc2 34a_100000732698_100000733263 [0,1,0,0,0,0|2,0,0]=3 3485 B16R2.252 Fc1cc(ccn1)OCc2cccnn2 34a_100000732698_100016990269 [0,1,0,0,0,0|3,0,0]=4 3486 B16R2.252 Fc1cc(ccn1)OCc2cnccn2 34a_100000732698_100016995436 [0,1,0,0,0,0|3,0,0]=4 3487 B16R2.252 Fc1cc(ccn1)OCc2cncnc2 34a_100000732698_100015196519 [0,1,0,0,0,0|3,0,0]=4 3488 B16R2.252 Fc1cc(ccn1)SCc2ccccc2 62a_100000211182_100009816116 [0,1,0,0,0,0|3,0,0]=4 3489 B16R2.252 Fc1cc(ccn1)SCc2ccccc2 62a_100009816116_100015291786 [0,1,0,0,0,0|3,0,0]=4 3490 B16R2.252 Fc1cc(ccn1)SCc2cccnc2 62a_100000741622_100009816116 [0,1,0,0,0,0|2,0,0]=3 3491 B16R2.252 Fc1cc(ccn1)SCc2cccnc2 62a_100009816116_100000741622 [0,1,0,0,0,0|2,0,0]=3 3492 B16R2.252 Fc1cc(ccn1)SCc2cccnn2 62a_100009816116_100016990269 [0,1,0,0,0,0|3,0,0]=4 3493 B16R2.252 Fc1cc(ccn1)SCc2cccnn2 62a_100016990269_100009816116 [0,1,0,0,0,0|3,0,0]=4 3494 B16R2.252 Fc1cc(ccn1)SCc2cnccn2 62a_100009816116_100016995436 [0,1,0,0,0,0|3,0,0]=4 3495 B16R2.252 Fc1cc(ccn1)SCc2cnccn2 62a_100016995436_100009816116 [0,1,0,0,0,0|3,0,0]=4 3496 B16R2.252 Fc1cc(ccn1)SCc2cncnc2 62a_100009816116_100015196519 [0,1,0,0,0,0|3,0,0]=4 3497 B16R2.252 Fc1cc(ccn1)SCc2cncnc2 62a_100015196519_100009816116 [0,1,0,0,0,0|3,0,0]=4 3498 B16R2.252 Fc1cc(ncn1)NCc2ccccc2 27a_100015324214_200009880791 [0,1,0,0,0,0|3,0,0]=4 3499 B16R2.252 Fc1cc(ncn1)NCc2cccnc2 27a_100000210453_200009880791 [0,1,0,0,0,0|2,0,0]=3 3500 B16R2.252 Fc1cc(ncn1)NCc2cccnn2 27a_100159270163_200009880791 [0,1,0,0,0,0|3,0,0]=4 3501 B16R2.252 Fc1cc(ncn1)NCc2cnccn2 27a_100000737960_200009880791 [0,1,0,0,0,0|3,0,0]=4 3502 B16R2.252 Fc1cc(ncn1)NCc2cncnc2 27a_100011243677_200009880791 [0,1,0,0,0,0|3,0,0]=4 3503 B16R2.252 Fc1cc(ncn1)SCc2cccnc2 62a_100000741622_200009880791 [0,1,0,0,0,0|3,0,0]=4 3504 B16R2.252 Fc1cc(ncn1)SCc2cccnc2 62a_200009880791_100000741622 [0,1,0,0,0,0|3,0,0]=4 3505 B16R2.252 Fc1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100000685547 [0,1,0,0,0,0|2,0,1]=4 3506 B16R2.252 Fc1cccc(c1)C=Cc2ccccc2 271570a_100102525537_100000210277 [0,1,0,0,0,0|2,0,1]=4 3507 B16R2.252 Fc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000685547 [0,1,0,0,0,0|2,0,1]=4 3508 B16R2.252 Fc1cccc(c1)C=Cc2cccnc2 271570a_100102525537_100000752921 [0,1,0,0,0,0|1,0,1]=3 3509 B16R2.252 Fc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000685547 [0,1,0,0,0,0|1,0,1]=3 3510 B16R2.252 Fc1cccc(c1)C=Cc2cccnn2 271570a_100102525537_100016991348 [0,1,0,0,0,0|2,0,1]=4 3511 B16R2.252 Fc1cccc(c1)C=Cc2ccnnc2 271570a_100102525537_100000732662 [0,1,0,0,0,0|2,0,1]=4 3512 B16R2.252 Fc1cccc(c1)C=Cc2cnccn2 271570a_100102525537_100000758340 [0,1,0,0,0,0|2,0,1]=4 3513 B16R2.252 Fc1cccc(c1)C=Cc2cncnc2 271570a_100102525537_100011206942 [0,1,0,0,0,0|2,0,1]=4 3514 B16R2.252 Fc1cccc(c1)CNc2ccccc2 207a_100000106764_100000210812 [0,1,0,0,0,0|1,0,0]=2 3515 B16R2.252 Fc1cccc(c1)CNc2ccccc2 270302a_100000106764_100000210812 [0,1,0,0,0,0|1,0,0]=2 3516 B16R2.252 Fc1cccc(c1)CNc2ccccc2 34a_100000106764_100000187166 [0,1,0,0,0,0|1,0,0]=2 3517 B16R2.252 Fc1cccc(c1)CNc2cccnn2 27a_100000174948_100016991348 [0,1,0,0,0,0|3,0,0]=4 3518 B16R2.252 Fc1cccc(c1)CNc2ccncn2 27a_100000174948_100000703185 [0,1,0,0,0,0|3,0,0]=4 3519 B16R2.252 Fc1cccc(c1)CNc2cnccn2 27a_100000174948_100000211759 [0,1,0,0,0,0|3,0,0]=4 3520 B16R2.252 Fc1cccc(c1)CNc2ncccn2 27a_100000174948_100000211032 [0,1,0,0,0,0|3,0,0]=4 3521 B16R2.252 Fc1cccc(c1)COc2ccccc2 34a_100000210340_100000187166 [0,1,0,0,0,0|2,0,0]=3 3522 B16R2.252 Fc1cccc(c1)COc2ccccc2 7a_100000210340_100000230114 [0,1,0,0,0,0|2,0,0]=3 3523 B16R2.252 Fc1cccc(c1)COc2cccnc2 34a_100000210849_100000187166 [0,1,0,0,0,0|2,0,0]=3 3524 B16R2.252 Fc1cccc(c1)COc2cccnc2 7a_100000210849_100000230114 [0,1,0,0,0,0|2,0,0]=3 3525 B16R2.252 Fc1cccc(c1)COc2ccncc2 34a_100000212176_100000187166 [0,1,0,0,0,0|3,0,0]=4 3526 B16R2.252 Fc1cccc(c1)COc2ccnnc2 34a_100015204005_100000187166 [0,1,0,0,0,0|3,0,0]=4 3527 B16R2.252 Fc1cccc(c1)COc2cncnc2 7a_100000754086_100000230114 [0,1,0,0,0,0|3,0,0]=4 3528 B16R2.252 Fc1cccc(c1)CSc2ccccc2 62a_100000230114_100000041952 [0,1,0,0,0,0|2,0,0]=3 3529 B16R2.252 Fc1cccc(c1)CSc2ccccc2 62a_100000719477_100000230114 [0,1,0,0,0,0|2,0,0]=3 3530 B16R2.252 Fc1cccc(c1)CSc2ccccn2 62a_100000230114_100011216584 [0,1,0,0,0,0|3,0,0]=4 3531 B16R2.252 Fc1cccc(c1)CSc2ccccn2 62a_100011216584_100000230114 [0,1,0,0,0,0|3,0,0]=4 3532 B16R2.252 Fc1cccc(c1)CSc2cccnc2 62a_100000210063_100000230114 [0,1,0,0,0,0|2,0,0]=3 3533 B16R2.252 Fc1cccc(c1)CSc2cccnc2 62a_100000230114_100000210063 [0,1,0,0,0,0|2,0,0]=3 3534 B16R2.252 Fc1cccc(c1)CSc2cccnn2 62a_100000230114_100016991348 [0,1,0,0,0,0|3,0,0]=4 3535 B16R2.252 Fc1cccc(c1)CSc2cccnn2 62a_100016991348_100000230114 [0,1,0,0,0,0|3,0,0]=4 3536 B16R2.252 Fc1cccc(c1)CSc2ccncc2 62a_100000230114_100000728582 [0,1,0,0,0,0|3,0,0]=4 3537 B16R2.252 Fc1cccc(c1)CSc2ccncc2 62a_100000728582_100000230114 [0,1,0,0,0,0|3,0,0]=4 3538 B16R2.252 Fc1cccc(c1)CSc2ccnnc2 62a_100000230114_100000732662 [0,1,0,0,0,0|3,0,0]=4 3539 B16R2.252 Fc1cccc(c1)CSc2ccnnc2 62a_100000732662_100000230114 [0,1,0,0,0,0|3,0,0]=4 3540 B16R2.252 Fc1cccc(c1)CSc2cnccn2 62a_100000211759_100000230114 [0,1,0,0,0,0|3,0,0]=4 3541 B16R2.252 Fc1cccc(c1)CSc2cnccn2 62a_100000230114_100000211759 [0,1,0,0,0,0|3,0,0]=4 3542 B16R2.252 Fc1cccc(c1)CSc2cncnc2 62a_100000230114_100011206942 [0,1,0,0,0,0|3,0,0]=4 3543 B16R2.252 Fc1cccc(c1)CSc2cncnc2 62a_100011206942_100000230114 [0,1,0,0,0,0|3,0,0]=4 3544 B16R2.252 Fc1cccc(c1)NCc2ccccc2 207a_100000210047_100015611070 [0,1,0,0,0,0|1,0,0]=2 3545 B16R2.252 Fc1cccc(c1)NCc2ccccc2 270302a_100000210047_100015611070 [0,1,0,0,0,0|1,0,0]=2 3546 B16R2.252 Fc1cccc(c1)NCc2ccccc2 34a_100000210047_100015291786 [0,1,0,0,0,0|1,0,0]=2 3547 B16R2.252 Fc1cccc(c1)NCc2ccccn2 207a_100000210047_100000209966 [0,1,0,0,0,0|2,0,0]=3 3548 B16R2.252 Fc1cccc(c1)NCc2ccccn2 270302a_100000210047_100000209966 [0,1,0,0,0,0|2,0,0]=3 3549 B16R2.252 Fc1cccc(c1)NCc2ccccn2 34a_100000210047_100000721315 [0,1,0,0,0,0|2,0,0]=3 3550 B16R2.252 Fc1cccc(c1)NCc2cccnc2 207a_100000210047_100000209961 [0,1,0,0,0,0|0,0,0]=1 3551 B16R2.252 Fc1cccc(c1)NCc2cccnc2 270302a_100000210047_100000209961 [0,1,0,0,0,0|0,0,0]=1 3552 B16R2.252 Fc1cccc(c1)NCc2cccnc2 34a_100000210047_100000733263 [0,1,0,0,0,0|0,0,0]=1 3553 B16R2.252 Fc1cccc(c1)NCc2cccnn2 34a_100000210047_100016990269 [0,1,0,0,0,0|1,0,0]=2 3554 B16R2.252 Fc1cccc(c1)NCc2ccncc2 207a_100000210047_100000186114 [0,1,0,0,0,0|2,0,0]=3 3555 B16R2.252 Fc1cccc(c1)NCc2ccnnc2 270302a_100000210047_100011934578 [0,1,0,0,0,0|1,0,0]=2 3556 B16R2.252 Fc1cccc(c1)NCc2cnccn2 34a_100000210047_100016995436 [0,1,0,0,0,0|1,0,0]=2 3557 B16R2.252 Fc1cccc(c1)NCc2cncnc2 270302a_100000210047_100000749868 [0,1,0,0,0,0|1,0,0]=2 3558 B16R2.252 Fc1cccc(c1)NCc2cncnc2 34a_100000210047_100015196519 [0,1,0,0,0,0|1,0,0]=2 3559 B16R2.252 Fc1cccc(c1)NCc2ncccn2 34a_100000210047_100000703007 [0,1,0,0,0,0|3,0,0]=4 3560 B16R2.252 Fc1cccc(c1)OCc2ccccc2 34a_100000210426_100015291786 [0,1,0,0,0,0|2,0,0]=3 3561 B16R2.252 Fc1cccc(c1)OCc2ccccc2 7a_100000210426_100000211182 [0,1,0,0,0,0|2,0,0]=3 3562 B16R2.252 Fc1cccc(c1)OCc2ccccn2 34a_100000210426_100000721315 [0,1,0,0,0,0|3,0,0]=4 3563 B16R2.252 Fc1cccc(c1)OCc2ccccn2 7a_100000210426_100000721315 [0,1,0,0,0,0|3,0,0]=4 3564 B16R2.252 Fc1cccc(c1)OCc2cccnc2 34a_100000210426_100000733263 [0,1,0,0,0,0|1,0,0]=2 3565 B16R2.252 Fc1cccc(c1)OCc2cccnc2 7a_100000210426_100000741622 [0,1,0,0,0,0|1,0,0]=2 3566 B16R2.252 Fc1cccc(c1)OCc2cccnn2 34a_100000210426_100016990269 [0,1,0,0,0,0|2,0,0]=3 3567 B16R2.252 Fc1cccc(c1)OCc2cccnn2 7a_100000210426_100016990269 [0,1,0,0,0,0|2,0,0]=3 3568 B16R2.252 Fc1cccc(c1)OCc2ccncc2 7a_100000210426_100015193705 [0,1,0,0,0,0|3,0,0]=4 3569 B16R2.252 Fc1cccc(c1)OCc2cnccn2 34a_100000210426_100016995436 [0,1,0,0,0,0|2,0,0]=3 3570 B16R2.252 Fc1cccc(c1)OCc2cnccn2 7a_100000210426_100016995436 [0,1,0,0,0,0|2,0,0]=3 3571 B16R2.252 Fc1cccc(c1)OCc2cncnc2 34a_100000210426_100015196519 [0,1,0,0,0,0|2,0,0]=3 3572 B16R2.252 Fc1cccc(c1)OCc2cncnc2 7a_100000210426_100015196519 [0,1,0,0,0,0|2,0,0]=3 3573 B16R2.252 Fc1cccc(c1)SCc2ccccc2 62a_100000211182_100000685547 [0,1,0,0,0,0|2,0,0]=3 3574 B16R2.252 Fc1cccc(c1)SCc2ccccc2 62a_100000685547_100015291786 [0,1,0,0,0,0|2,0,0]=3 3575 B16R2.252 Fc1cccc(c1)SCc2ccccn2 62a_100000685547_100000721315 [0,1,0,0,0,0|3,0,0]=4 3576 B16R2.252 Fc1cccc(c1)SCc2ccccn2 62a_100000721315_100000685547 [0,1,0,0,0,0|3,0,0]=4 3577 B16R2.252 Fc1cccc(c1)SCc2cccnc2 62a_100000685547_100000741622 [0,1,0,0,0,0|1,0,0]=2 3578 B16R2.252 Fc1cccc(c1)SCc2cccnc2 62a_100000741622_100000685547 [0,1,0,0,0,0|1,0,0]=2 3579 B16R2.252 Fc1cccc(c1)SCc2cccnn2 62a_100000685547_100016990269 [0,1,0,0,0,0|2,0,0]=3 3580 B16R2.252 Fc1cccc(c1)SCc2cccnn2 62a_100016990269_100000685547 [0,1,0,0,0,0|2,0,0]=3 3581 B16R2.252 Fc1cccc(c1)SCc2ccncc2 62a_100000685547_100015193705 [0,1,0,0,0,0|3,0,0]=4 3582 B16R2.252 Fc1cccc(c1)SCc2ccncc2 62a_100015193705_100000685547 [0,1,0,0,0,0|3,0,0]=4 3583 B16R2.252 Fc1cccc(c1)SCc2cnccn2 62a_100000685547_100016995436 [0,1,0,0,0,0|2,0,0]=3 3584 B16R2.252 Fc1cccc(c1)SCc2cnccn2 62a_100016995436_100000685547 [0,1,0,0,0,0|2,0,0]=3 3585 B16R2.252 Fc1cccc(c1)SCc2cncnc2 62a_100000685547_100015196519 [0,1,0,0,0,0|2,0,0]=3 3586 B16R2.252 Fc1cccc(c1)SCc2cncnc2 62a_100015196519_100000685547 [0,1,0,0,0,0|2,0,0]=3 3587 B16R2.252 Fc1cccc(n1)C=Cc2cccnc2 271570a_100102525586_100009815982 [0,1,0,0,0,0|2,0,1]=4 3588 B16R2.252 Fc1cccc(n1)CNc2ccccc2 34a_100000106764_100009819644 [0,1,0,0,0,0|2,0,0]=3 3589 B16R2.252 Fc1cccc(n1)COc2ccccc2 34a_100000210340_100009819644 [0,1,0,0,0,0|3,0,0]=4 3590 B16R2.252 Fc1cccc(n1)COc2ccccc2 7a_100000210340_100009819644 [0,1,0,0,0,0|3,0,0]=4 3591 B16R2.252 Fc1cccc(n1)COc2cccnc2 34a_100000210849_100009819644 [0,1,0,0,0,0|3,0,0]=4 3592 B16R2.252 Fc1cccc(n1)COc2cccnc2 7a_100000210849_100009819644 [0,1,0,0,0,0|3,0,0]=4 3593 B16R2.252 Fc1cccc(n1)CSc2ccccc2 62a_100000719477_100009819644 [0,1,0,0,0,0|3,0,0]=4 3594 B16R2.252 Fc1cccc(n1)CSc2ccccc2 62a_100009819644_100000041952 [0,1,0,0,0,0|3,0,0]=4 3595 B16R2.252 Fc1cccc(n1)CSc2cccnc2 62a_100000210063_100009819644 [0,1,0,0,0,0|3,0,0]=4 3596 B16R2.252 Fc1cccc(n1)CSc2cccnc2 62a_100009819644_100000210063 [0,1,0,0,0,0|3,0,0]=4 3597 B16R2.252 Fc1cccc(n1)NCc2ccccc2 27a_100015324214_100009815982 [0,1,0,0,0,0|2,0,0]=3 3598 B16R2.252 Fc1cccc(n1)NCc2ccccn2 27a_100000210449_100009815982 [0,1,0,0,0,0|3,0,0]=4 3599 B16R2.252 Fc1cccc(n1)NCc2cccnc2 27a_100000210453_100009815982 [0,1,0,0,0,0|1,0,0]=2 3600 B16R2.252 Fc1cccc(n1)NCc2cccnn2 27a_100159270163_100009815982 [0,1,0,0,0,0|2,0,0]=3 3601 B16R2.252 Fc1cccc(n1)NCc2ccncc2 27a_100000210450_100009815982 [0,1,0,0,0,0|3,0,0]=4 3602 B16R2.252 Fc1cccc(n1)NCc2cnccn2 27a_100000737960_100009815982 [0,1,0,0,0,0|2,0,0]=3 3603 B16R2.252 Fc1cccc(n1)NCc2cncnc2 27a_100011243677_100009815982 [0,1,0,0,0,0|2,0,0]=3 3604 B16R2.252 Fc1cccc(n1)OCc2ccccc2 34a_100011432558_100015291786 [0,1,0,0,0,0|3,0,0]=4 3605 B16R2.252 Fc1cccc(n1)OCc2cccnc2 34a_100011432558_100000733263 [0,1,0,0,0,0|2,0,0]=3 3606 B16R2.252 Fc1cccc(n1)OCc2cccnn2 34a_100011432558_100016990269 [0,1,0,0,0,0|3,0,0]=4 3607 B16R2.252 Fc1cccc(n1)OCc2cnccn2 34a_100011432558_100016995436 [0,1,0,0,0,0|3,0,0]=4 3608 B16R2.252 Fc1cccc(n1)OCc2cncnc2 34a_100011432558_100015196519 [0,1,0,0,0,0|3,0,0]=4 3609 B16R2.252 Fc1cccc(n1)SCc2ccccc2 62a_100000211182_100009815982 [0,1,0,0,0,0|3,0,0]=4 3610 B16R2.252 Fc1cccc(n1)SCc2ccccc2 62a_100009815982_100015291786 [0,1,0,0,0,0|3,0,0]=4 3611 B16R2.252 Fc1cccc(n1)SCc2cccnc2 62a_100000741622_100009815982 [0,1,0,0,0,0|2,0,0]=3 3612 B16R2.252 Fc1cccc(n1)SCc2cccnc2 62a_100009815982_100000741622 [0,1,0,0,0,0|2,0,0]=3 3613 B16R2.252 Fc1cccc(n1)SCc2cccnn2 62a_100009815982_100016990269 [0,1,0,0,0,0|3,0,0]=4 3614 B16R2.252 Fc1cccc(n1)SCc2cccnn2 62a_100016990269_100009815982 [0,1,0,0,0,0|3,0,0]=4 3615 B16R2.252 Fc1cccc(n1)SCc2cnccn2 62a_100009815982_100016995436 [0,1,0,0,0,0|3,0,0]=4 3616 B16R2.252 Fc1cccc(n1)SCc2cnccn2 62a_100016995436_100009815982 [0,1,0,0,0,0|3,0,0]=4 3617 B16R2.252 Fc1cccc(n1)SCc2cncnc2 62a_100009815982_100015196519 [0,1,0,0,0,0|3,0,0]=4 3618 B16R2.252 Fc1cccc(n1)SCc2cncnc2 62a_100015196519_100009815982 [0,1,0,0,0,0|3,0,0]=4 3619 B16R2.252 Fc1ccnc(c1)C=Cc2cccnc2 271570a_100102525586_100009817058 [0,1,0,0,0,0|2,0,1]=4 3620 B16R2.252 Fc1ccnc(c1)NCc2ccccc2 27a_100015324214_100000764206 [0,1,0,0,0,0|2,0,0]=3 3621 B16R2.252 Fc1ccnc(c1)NCc2ccccn2 27a_100000210449_100000764206 [0,1,0,0,0,0|3,0,0]=4 3622 B16R2.252 Fc1ccnc(c1)NCc2cccnc2 27a_100000210453_100000764206 [0,1,0,0,0,0|1,0,0]=2 3623 B16R2.252 Fc1ccnc(c1)NCc2cccnn2 27a_100159270163_100000764206 [0,1,0,0,0,0|2,0,0]=3 3624 B16R2.252 Fc1ccnc(c1)NCc2ccncc2 27a_100000210450_100000764206 [0,1,0,0,0,0|3,0,0]=4 3625 B16R2.252 Fc1ccnc(c1)NCc2cnccn2 27a_100000737960_100000764206 [0,1,0,0,0,0|2,0,0]=3 3626 B16R2.252 Fc1ccnc(c1)NCc2cncnc2 27a_100011243677_100000764206 [0,1,0,0,0,0|2,0,0]=3 3627 B16R2.252 Fc1ccnc(c1)SCc2ccccc2 62a_100000211182_100000764206 [0,1,0,0,0,0|3,0,0]=4 3628 B16R2.252 Fc1ccnc(c1)SCc2ccccc2 62a_100000764206_100015291786 [0,1,0,0,0,0|3,0,0]=4 3629 B16R2.252 Fc1ccnc(c1)SCc2cccnc2 62a_100000741622_100000764206 [0,1,0,0,0,0|2,0,0]=3 3630 B16R2.252 Fc1ccnc(c1)SCc2cccnc2 62a_100000764206_100000741622 [0,1,0,0,0,0|2,0,0]=3 3631 B16R2.252 Fc1ccnc(c1)SCc2cccnn2 62a_100000764206_100016990269 [0,1,0,0,0,0|3,0,0]=4 3632 B16R2.252 Fc1ccnc(c1)SCc2cccnn2 62a_100016990269_100000764206 [0,1,0,0,0,0|3,0,0]=4 3633 B16R2.252 Fc1ccnc(c1)SCc2cnccn2 62a_100000764206_100016995436 [0,1,0,0,0,0|3,0,0]=4 3634 B16R2.252 Fc1ccnc(c1)SCc2cnccn2 62a_100016995436_100000764206 [0,1,0,0,0,0|3,0,0]=4 3635 B16R2.252 Fc1ccnc(c1)SCc2cncnc2 62a_100000764206_100015196519 [0,1,0,0,0,0|3,0,0]=4 3636 B16R2.252 Fc1ccnc(c1)SCc2cncnc2 62a_100015196519_100000764206 [0,1,0,0,0,0|3,0,0]=4 3637 B16R2.252 Fc1cncc(c1)C#Cc2ccccc2 271570a_100000069678_100000744099 [0,1,0,0,0,0|1,0,1]=3 3638 B16R2.252 Fc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100000744099 [0,1,0,0,0,0|1,0,1]=3 3639 B16R2.252 Fc1cncc(c1)C=Cc2cccnc2 271570a_100102525586_100000744099 [0,1,0,0,0,0|2,0,1]=4 3640 B16R2.252 Fc1cncc(c1)CNc2ccccc2 207a_100000106764_100011361476 [0,1,0,0,0,0|0,0,0]=1 3641 B16R2.252 Fc1cncc(c1)CNc2ccccc2 270302a_100000106764_100011361476 [0,1,0,0,0,0|0,0,0]=1 3642 B16R2.252 Fc1cncc(c1)CNc2ccccc2 34a_100000106764_100000725299 [0,1,0,0,0,0|0,0,0]=1 3643 B16R2.252 Fc1cncc(c1)CNc2cccnn2 27a_100011962886_100016991348 [0,1,0,0,0,0|2,0,0]=3 3644 B16R2.252 Fc1cncc(c1)CNc2ccncn2 27a_100011962886_100000703185 [0,1,0,0,0,0|2,0,0]=3 3645 B16R2.252 Fc1cncc(c1)CNc2cnccn2 27a_100011962886_100000211759 [0,1,0,0,0,0|2,0,0]=3 3646 B16R2.252 Fc1cncc(c1)CNc2ncccn2 27a_100011962886_100000211032 [0,1,0,0,0,0|2,0,0]=3 3647 B16R2.252 Fc1cncc(c1)COc2ccccc2 34a_100000210340_100000725299 [0,1,0,0,0,0|1,0,0]=2 3648 B16R2.252 Fc1cncc(c1)COc2ccccc2 7a_100000210340_100000725299 [0,1,0,0,0,0|1,0,0]=2 3649 B16R2.252 Fc1cncc(c1)COc2cccnc2 34a_100000210849_100000725299 [0,1,0,0,0,0|2,0,0]=3 3650 B16R2.252 Fc1cncc(c1)COc2cccnc2 7a_100000210849_100000725299 [0,1,0,0,0,0|2,0,0]=3 3651 B16R2.252 Fc1cncc(c1)COc2ccncc2 34a_100000212176_100000725299 [0,1,0,0,0,0|2,0,0]=3 3652 B16R2.252 Fc1cncc(c1)COc2ccnnc2 34a_100015204005_100000725299 [0,1,0,0,0,0|3,0,0]=4 3653 B16R2.252 Fc1cncc(c1)COc2cncnc2 7a_100000754086_100000725299 [0,1,0,0,0,0|3,0,0]=4 3654 B16R2.252 Fc1cncc(c1)CSc2ccccc2 62a_100000719477_100000725299 [0,1,0,0,0,0|1,0,0]=2 3655 B16R2.252 Fc1cncc(c1)CSc2ccccc2 62a_100000725299_100000041952 [0,1,0,0,0,0|1,0,0]=2 3656 B16R2.252 Fc1cncc(c1)CSc2ccccn2 62a_100000725299_100011216584 [0,1,0,0,0,0|2,0,0]=3 3657 B16R2.252 Fc1cncc(c1)CSc2ccccn2 62a_100011216584_100000725299 [0,1,0,0,0,0|2,0,0]=3 3658 B16R2.252 Fc1cncc(c1)CSc2cccnc2 62a_100000210063_100000725299 [0,1,0,0,0,0|2,0,0]=3 3659 B16R2.252 Fc1cncc(c1)CSc2cccnc2 62a_100000725299_100000210063 [0,1,0,0,0,0|2,0,0]=3 3660 B16R2.252 Fc1cncc(c1)CSc2cccnn2 62a_100000725299_100016991348 [0,1,0,0,0,0|3,0,0]=4 3661 B16R2.252 Fc1cncc(c1)CSc2cccnn2 62a_100016991348_100000725299 [0,1,0,0,0,0|3,0,0]=4 3662 B16R2.252 Fc1cncc(c1)CSc2ccncc2 62a_100000725299_100000728582 [0,1,0,0,0,0|2,0,0]=3 3663 B16R2.252 Fc1cncc(c1)CSc2ccncc2 62a_100000728582_100000725299 [0,1,0,0,0,0|2,0,0]=3 3664 B16R2.252 Fc1cncc(c1)CSc2ccncn2 62a_100000703185_100000725299 [0,1,0,0,0,0|3,0,0]=4 3665 B16R2.252 Fc1cncc(c1)CSc2ccncn2 62a_100000725299_100000703185 [0,1,0,0,0,0|3,0,0]=4 3666 B16R2.252 Fc1cncc(c1)CSc2ccnnc2 62a_100000725299_100000732662 [0,1,0,0,0,0|3,0,0]=4 3667 B16R2.252 Fc1cncc(c1)CSc2ccnnc2 62a_100000732662_100000725299 [0,1,0,0,0,0|3,0,0]=4 3668 B16R2.252 Fc1cncc(c1)CSc2cnccn2 62a_100000211759_100000725299 [0,1,0,0,0,0|3,0,0]=4 3669 B16R2.252 Fc1cncc(c1)CSc2cnccn2 62a_100000725299_100000211759 [0,1,0,0,0,0|3,0,0]=4 3670 B16R2.252 Fc1cncc(c1)CSc2cncnc2 62a_100000725299_100011206942 [0,1,0,0,0,0|3,0,0]=4 3671 B16R2.252 Fc1cncc(c1)CSc2cncnc2 62a_100011206942_100000725299 [0,1,0,0,0,0|3,0,0]=4 3672 B16R2.252 Fc1cncc(c1)CSc2ncccn2 62a_100000211032_100000725299 [0,1,0,0,0,0|3,0,0]=4 3673 B16R2.252 Fc1cncc(c1)CSc2ncccn2 62a_100000725299_100000211032 [0,1,0,0,0,0|3,0,0]=4 3674 B16R2.252 Fc1cncc(c1)OCc2ccccc2 34a_100011830296_100015291786 [0,1,0,0,0,0|2,0,0]=3 3675 B16R2.252 Fc1cncc(c1)OCc2ccccc2 7a_100011830296_100000211182 [0,1,0,0,0,0|2,0,0]=3 3676 B16R2.252 Fc1cncc(c1)OCc2ccccn2 34a_100011830296_100000721315 [0,1,0,0,0,0|3,0,0]=4 3677 B16R2.252 Fc1cncc(c1)OCc2ccccn2 7a_100011830296_100000721315 [0,1,0,0,0,0|3,0,0]=4 3678 B16R2.252 Fc1cncc(c1)OCc2cccnc2 34a_100011830296_100000733263 [0,1,0,0,0,0|2,0,0]=3 3679 B16R2.252 Fc1cncc(c1)OCc2cccnc2 7a_100011830296_100000741622 [0,1,0,0,0,0|2,0,0]=3 3680 B16R2.252 Fc1cncc(c1)OCc2cccnn2 34a_100011830296_100016990269 [0,1,0,0,0,0|3,0,0]=4 3681 B16R2.252 Fc1cncc(c1)OCc2cccnn2 7a_100011830296_100016990269 [0,1,0,0,0,0|3,0,0]=4 3682 B16R2.252 Fc1cncc(c1)OCc2ccncc2 7a_100011830296_100015193705 [0,1,0,0,0,0|3,0,0]=4 3683 B16R2.252 Fc1cncc(c1)OCc2cnccn2 34a_100011830296_100016995436 [0,1,0,0,0,0|3,0,0]=4 3684 B16R2.252 Fc1cncc(c1)OCc2cnccn2 7a_100011830296_100016995436 [0,1,0,0,0,0|3,0,0]=4 3685 B16R2.252 Fc1cncc(c1)OCc2cncnc2 34a_100011830296_100015196519 [0,1,0,0,0,0|3,0,0]=4 3686 B16R2.252 Fc1cncc(c1)OCc2cncnc2 7a_100011830296_100015196519 [0,1,0,0,0,0|3,0,0]=4 3687 B16R2.252 Fc1cncc(c1)SCc2ccccc2 62a_100000211182_100000744099 [0,1,0,0,0,0|2,0,0]=3 3688 B16R2.252 Fc1cncc(c1)SCc2ccccc2 62a_100000744099_100015291786 [0,1,0,0,0,0|2,0,0]=3 3689 B16R2.252 Fc1cncc(c1)SCc2ccccn2 62a_100000721315_100000744099 [0,1,0,0,0,0|3,0,0]=4 3690 B16R2.252 Fc1cncc(c1)SCc2ccccn2 62a_100000744099_100000721315 [0,1,0,0,0,0|3,0,0]=4 3691 B16R2.252 Fc1cncc(c1)SCc2cccnc2 62a_100000741622_100000744099 [0,1,0,0,0,0|2,0,0]=3 3692 B16R2.252 Fc1cncc(c1)SCc2cccnc2 62a_100000744099_100000741622 [0,1,0,0,0,0|2,0,0]=3 3693 B16R2.252 Fc1cncc(c1)SCc2cccnn2 62a_100000744099_100016990269 [0,1,0,0,0,0|3,0,0]=4 3694 B16R2.252 Fc1cncc(c1)SCc2cccnn2 62a_100016990269_100000744099 [0,1,0,0,0,0|3,0,0]=4 3695 B16R2.252 Fc1cncc(c1)SCc2ccncc2 62a_100000744099_100015193705 [0,1,0,0,0,0|3,0,0]=4 3696 B16R2.252 Fc1cncc(c1)SCc2ccncc2 62a_100015193705_100000744099 [0,1,0,0,0,0|3,0,0]=4 3697 B16R2.252 Fc1cncc(c1)SCc2cnccn2 62a_100000744099_100016995436 [0,1,0,0,0,0|3,0,0]=4 3698 B16R2.252 Fc1cncc(c1)SCc2cnccn2 62a_100016995436_100000744099 [0,1,0,0,0,0|3,0,0]=4 3699 B16R2.252 Fc1cncc(c1)SCc2cncnc2 62a_100000744099_100015196519 [0,1,0,0,0,0|3,0,0]=4 3700 B16R2.252 Fc1cncc(c1)SCc2cncnc2 62a_100015196519_100000744099 [0,1,0,0,0,0|3,0,0]=4 3701 B16R2.252 Fc1cncc(n1)C#Cc2ccccc2 271570a_100000069678_200009863489 [0,1,0,0,0,0|2,0,1]=4 3702 B16R2.252 Fc1cncc(n1)C=Cc2ccccc2 271570a_100102527694_200009863489 [0,1,0,0,0,0|2,0,1]=4 3703 B16R2.252 Fc1cncc(n1)NCc2ccccc2 27a_100015324214_200009863489 [0,1,0,0,0,0|3,0,0]=4 3704 B16R2.252 Fc1cncc(n1)NCc2cccnc2 27a_100000210453_200009863489 [0,1,0,0,0,0|2,0,0]=3 3705 B16R2.252 Fc1cncc(n1)NCc2cccnn2 27a_100159270163_200009863489 [0,1,0,0,0,0|3,0,0]=4 3706 B16R2.252 Fc1cncc(n1)NCc2cnccn2 27a_100000737960_200009863489 [0,1,0,0,0,0|3,0,0]=4 3707 B16R2.252 Fc1cncc(n1)NCc2cncnc2 27a_100011243677_200009863489 [0,1,0,0,0,0|3,0,0]=4 3708 B16R2.252 Fc1cncc(n1)SCc2ccccc2 62a_100000211182_200009863489 [0,1,0,0,0,0|3,0,0]=4 3709 B16R2.252 Fc1cncc(n1)SCc2ccccc2 62a_200009863489_100015291786 [0,1,0,0,0,0|3,0,0]=4 3710 B16R2.252 Fc1cncc(n1)SCc2cccnc2 62a_100000741622_200009863489 [0,1,0,0,0,0|3,0,0]=4 3711 B16R2.252 Fc1cncc(n1)SCc2cccnc2 62a_200009863489_100000741622 [0,1,0,0,0,0|3,0,0]=4 3712 B16R2.252 Ic1cccc(c1)CNc2ccccc2 207a_100000106764_100000014684 [0,1,0,0,0,0|1,0,0]=2 3713 B16R2.252 Ic1cccc(c1)CNc2ccccc2 270302a_100000106764_100000014684 [0,1,0,0,0,0|1,0,0]=2 3714 B16R2.252 Ic1cccc(c1)CNc2ccccc2 34a_100000106764_100011218688 [0,1,0,0,0,0|1,0,0]=2 3715 B16R2.252 Ic1cccc(c1)CNc2cccnn2 27a_100000106179_100016991348 [0,1,0,0,0,0|3,0,0]=4 3716 B16R2.252 Ic1cccc(c1)CNc2ccncn2 27a_100000106179_100000703185 [0,1,0,0,0,0|3,0,0]=4 3717 B16R2.252 Ic1cccc(c1)CNc2cnccn2 27a_100000106179_100000211759 [0,1,0,0,0,0|3,0,0]=4 3718 B16R2.252 Ic1cccc(c1)CNc2ncccn2 27a_100000106179_100000211032 [0,1,0,0,0,0|3,0,0]=4 3719 B16R2.252 Ic1cccc(c1)COc2ccccc2 34a_100000210340_100011218688 [0,1,0,0,0,0|2,0,0]=3 3720 B16R2.252 Ic1cccc(c1)COc2ccccc2 7a_100000210340_100011218688 [0,1,0,0,0,0|2,0,0]=3 3721 B16R2.252 Ic1cccc(c1)COc2cccnc2 34a_100000210849_100011218688 [0,1,0,0,0,0|2,0,0]=3 3722 B16R2.252 Ic1cccc(c1)COc2cccnc2 7a_100000210849_100011218688 [0,1,0,0,0,0|2,0,0]=3 3723 B16R2.252 Ic1cccc(c1)COc2ccncc2 34a_100000212176_100011218688 [0,1,0,0,0,0|3,0,0]=4 3724 B16R2.252 Ic1cccc(c1)COc2ccnnc2 34a_100015204005_100011218688 [0,1,0,0,0,0|3,0,0]=4 3725 B16R2.252 Ic1cccc(c1)COc2cncnc2 7a_100000754086_100011218688 [0,1,0,0,0,0|3,0,0]=4 3726 B16R2.252 Ic1cccc(c1)CSc2ccccc2 62a_100000719477_100011218688 [0,1,0,0,0,0|2,0,0]=3 3727 B16R2.252 Ic1cccc(c1)CSc2ccccc2 62a_100011218688_100000041952 [0,1,0,0,0,0|2,0,0]=3 3728 B16R2.252 Ic1cccc(c1)CSc2ccccn2 62a_100011216584_100011218688 [0,1,0,0,0,0|3,0,0]=4 3729 B16R2.252 Ic1cccc(c1)CSc2ccccn2 62a_100011218688_100011216584 [0,1,0,0,0,0|3,0,0]=4 3730 B16R2.252 Ic1cccc(c1)CSc2cccnc2 62a_100000210063_100011218688 [0,1,0,0,0,0|2,0,0]=3 3731 B16R2.252 Ic1cccc(c1)CSc2cccnc2 62a_100011218688_100000210063 [0,1,0,0,0,0|2,0,0]=3 3732 B16R2.252 Ic1cccc(c1)CSc2cccnn2 62a_100011218688_100016991348 [0,1,0,0,0,0|3,0,0]=4 3733 B16R2.252 Ic1cccc(c1)CSc2cccnn2 62a_100016991348_100011218688 [0,1,0,0,0,0|3,0,0]=4 3734 B16R2.252 Ic1cccc(c1)CSc2ccncc2 62a_100000728582_100011218688 [0,1,0,0,0,0|3,0,0]=4 3735 B16R2.252 Ic1cccc(c1)CSc2ccncc2 62a_100011218688_100000728582 [0,1,0,0,0,0|3,0,0]=4 3736 B16R2.252 Ic1cccc(c1)CSc2ccnnc2 62a_100000732662_100011218688 [0,1,0,0,0,0|3,0,0]=4 3737 B16R2.252 Ic1cccc(c1)CSc2ccnnc2 62a_100011218688_100000732662 [0,1,0,0,0,0|3,0,0]=4 3738 B16R2.252 Ic1cccc(c1)CSc2cnccn2 62a_100000211759_100011218688 [0,1,0,0,0,0|3,0,0]=4 3739 B16R2.252 Ic1cccc(c1)CSc2cnccn2 62a_100011218688_100000211759 [0,1,0,0,0,0|3,0,0]=4 3740 B16R2.252 Ic1cccc(c1)CSc2cncnc2 62a_100011206942_100011218688 [0,1,0,0,0,0|3,0,0]=4 3741 B16R2.252 Ic1cccc(c1)CSc2cncnc2 62a_100011218688_100011206942 [0,1,0,0,0,0|3,0,0]=4 3742 B16R2.252 Ic1cccc(c1)NCc2ccccc2 207a_100000211102_100015611070 [0,1,0,0,0,0|1,0,0]=2 3743 B16R2.252 Ic1cccc(c1)NCc2ccccc2 270302a_100000211102_100015611070 [0,1,0,0,0,0|1,0,0]=2 3744 B16R2.252 Ic1cccc(c1)NCc2ccccc2 34a_100000211102_100015291786 [0,1,0,0,0,0|1,0,0]=2 3745 B16R2.252 Ic1cccc(c1)NCc2ccccn2 207a_100000211102_100000209966 [0,1,0,0,0,0|2,0,0]=3 3746 B16R2.252 Ic1cccc(c1)NCc2ccccn2 270302a_100000211102_100000209966 [0,1,0,0,0,0|2,0,0]=3 3747 B16R2.252 Ic1cccc(c1)NCc2ccccn2 34a_100000211102_100000721315 [0,1,0,0,0,0|2,0,0]=3 3748 B16R2.252 Ic1cccc(c1)NCc2cccnc2 207a_100000211102_100000209961 [0,1,0,0,0,0|0,0,0]=1 3749 B16R2.252 Ic1cccc(c1)NCc2cccnc2 270302a_100000211102_100000209961 [0,1,0,0,0,0|0,0,0]=1 3750 B16R2.252 Ic1cccc(c1)NCc2cccnc2 34a_100000211102_100000733263 [0,1,0,0,0,0|0,0,0]=1 3751 B16R2.252 Ic1cccc(c1)NCc2cccnn2 34a_100000211102_100016990269 [0,1,0,0,0,0|1,0,0]=2 3752 B16R2.252 Ic1cccc(c1)NCc2ccncc2 207a_100000211102_100000186114 [0,1,0,0,0,0|2,0,0]=3 3753 B16R2.252 Ic1cccc(c1)NCc2ccnnc2 270302a_100000211102_100011934578 [0,1,0,0,0,0|1,0,0]=2 3754 B16R2.252 Ic1cccc(c1)NCc2cnccn2 34a_100000211102_100016995436 [0,1,0,0,0,0|1,0,0]=2 3755 B16R2.252 Ic1cccc(c1)NCc2cncnc2 270302a_100000211102_100000749868 [0,1,0,0,0,0|1,0,0]=2 3756 B16R2.252 Ic1cccc(c1)NCc2cncnc2 34a_100000211102_100015196519 [0,1,0,0,0,0|1,0,0]=2 3757 B16R2.252 Ic1cccc(c1)NCc2ncccn2 34a_100000211102_100000703007 [0,1,0,0,0,0|3,0,0]=4 3758 B16R2.252 Ic1cccc(c1)OCc2ccccc2 34a_100000211634_100015291786 [0,1,0,0,0,0|2,0,0]=3 3759 B16R2.252 Ic1cccc(c1)OCc2ccccc2 7a_100000211634_100000211182 [0,1,0,0,0,0|2,0,0]=3 3760 B16R2.252 Ic1cccc(c1)OCc2ccccn2 34a_100000211634_100000721315 [0,1,0,0,0,0|3,0,0]=4 3761 B16R2.252 Ic1cccc(c1)OCc2ccccn2 7a_100000211634_100000721315 [0,1,0,0,0,0|3,0,0]=4 3762 B16R2.252 Ic1cccc(c1)OCc2cccnc2 34a_100000211634_100000733263 [0,1,0,0,0,0|1,0,0]=2 3763 B16R2.252 Ic1cccc(c1)OCc2cccnc2 7a_100000211634_100000741622 [0,1,0,0,0,0|1,0,0]=2 3764 B16R2.252 Ic1cccc(c1)OCc2cccnn2 34a_100000211634_100016990269 [0,1,0,0,0,0|2,0,0]=3 3765 B16R2.252 Ic1cccc(c1)OCc2cccnn2 7a_100000211634_100016990269 [0,1,0,0,0,0|2,0,0]=3 3766 B16R2.252 Ic1cccc(c1)OCc2ccncc2 7a_100000211634_100015193705 [0,1,0,0,0,0|3,0,0]=4 3767 B16R2.252 Ic1cccc(c1)OCc2cnccn2 34a_100000211634_100016995436 [0,1,0,0,0,0|2,0,0]=3 3768 B16R2.252 Ic1cccc(c1)OCc2cnccn2 7a_100000211634_100016995436 [0,1,0,0,0,0|2,0,0]=3 3769 B16R2.252 Ic1cccc(c1)OCc2cncnc2 34a_100000211634_100015196519 [0,1,0,0,0,0|2,0,0]=3 3770 B16R2.252 Ic1cccc(c1)OCc2cncnc2 7a_100000211634_100015196519 [0,1,0,0,0,0|2,0,0]=3 3771 B16R2.252 Nc1cc(ccn1)C=Cc2cccnc2 271570a_100102525586_100000744379 [0,1,0,0,0,0|2,0,1]=4 3772 B16R2.252 Nc1cc(ccn1)OCc2ccccc2 34a_100011834064_100015291786 [0,1,0,0,0,0|3,0,0]=4 3773 B16R2.252 Nc1cc(ccn1)OCc2cccnc2 34a_100011834064_100000733263 [0,1,0,0,0,0|2,0,0]=3 3774 B16R2.252 Nc1cc(ccn1)OCc2cccnn2 34a_100011834064_100016990269 [0,1,0,0,0,0|3,0,0]=4 3775 B16R2.252 Nc1cc(ccn1)OCc2cnccn2 34a_100011834064_100016995436 [0,1,0,0,0,0|3,0,0]=4 3776 B16R2.252 Nc1cc(ccn1)OCc2cncnc2 34a_100011834064_100015196519 [0,1,0,0,0,0|3,0,0]=4 3777 B16R2.252 Nc1cc(ccn1)SCc2ccccc2 62a_100000049665_100015291786 [0,1,0,0,0,0|3,0,0]=4 3778 B16R2.252 Nc1cc(ccn1)SCc2ccccc2 62a_100000211182_100000049665 [0,1,0,0,0,0|3,0,0]=4 3779 B16R2.252 Nc1cc(ccn1)SCc2cccnc2 62a_100000049665_100000741622 [0,1,0,0,0,0|2,0,0]=3 3780 B16R2.252 Nc1cc(ccn1)SCc2cccnc2 62a_100000741622_100000049665 [0,1,0,0,0,0|2,0,0]=3 3781 B16R2.252 Nc1cc(ccn1)SCc2cccnn2 62a_100000049665_100016990269 [0,1,0,0,0,0|3,0,0]=4 3782 B16R2.252 Nc1cc(ccn1)SCc2cccnn2 62a_100016990269_100000049665 [0,1,0,0,0,0|3,0,0]=4 3783 B16R2.252 Nc1cc(ccn1)SCc2cnccn2 62a_100000049665_100016995436 [0,1,0,0,0,0|3,0,0]=4 3784 B16R2.252 Nc1cc(ccn1)SCc2cnccn2 62a_100016995436_100000049665 [0,1,0,0,0,0|3,0,0]=4 3785 B16R2.252 Nc1cc(ccn1)SCc2cncnc2 62a_100000049665_100015196519 [0,1,0,0,0,0|3,0,0]=4 3786 B16R2.252 Nc1cc(ccn1)SCc2cncnc2 62a_100015196519_100000049665 [0,1,0,0,0,0|3,0,0]=4 3787 B16R2.252 Nc1cc(cnn1)C#Cc2ccccc2 271570a_100000069678_100000130277 [0,1,0,0,0,0|2,0,1]=4 3788 B16R2.252 Nc1cc(cnn1)C=Cc2ccccc2 271570a_100102527694_100000130277 [0,1,0,0,0,0|2,0,1]=4 3789 B16R2.252 Nc1cc(cnn1)OCc2ccccc2 34a_200015193112_100015291786 [0,1,0,0,0,0|3,0,0]=4 3790 B16R2.252 Nc1cc(cnn1)OCc2cccnc2 34a_200015193112_100000733263 [0,1,0,0,0,0|3,0,0]=4 3791 B16R2.252 Nc1cc(cnn1)SCc2ccccc2 62a_100000130277_100015291786 [0,1,0,0,0,0|3,0,0]=4 3792 B16R2.252 Nc1cc(cnn1)SCc2ccccc2 62a_100000211182_100000130277 [0,1,0,0,0,0|3,0,0]=4 3793 B16R2.252 Nc1cc(cnn1)SCc2cccnc2 62a_100000130277_100000741622 [0,1,0,0,0,0|3,0,0]=4 3794 B16R2.252 Nc1cc(cnn1)SCc2cccnc2 62a_100000741622_100000130277 [0,1,0,0,0,0|3,0,0]=4 3795 B16R2.252 Nc1cc(ncn1)NCc2ccccc2 27a_100015324214_100000701291 [0,1,0,0,0,0|3,0,0]=4 3796 B16R2.252 Nc1cc(ncn1)NCc2cccnc2 27a_100000210453_100000701291 [0,1,0,0,0,0|2,0,0]=3 3797 B16R2.252 Nc1cc(ncn1)NCc2cccnn2 27a_100159270163_100000701291 [0,1,0,0,0,0|3,0,0]=4 3798 B16R2.252 Nc1cc(ncn1)NCc2cnccn2 27a_100000737960_100000701291 [0,1,0,0,0,0|3,0,0]=4 3799 B16R2.252 Nc1cc(ncn1)NCc2cncnc2 27a_100011243677_100000701291 [0,1,0,0,0,0|3,0,0]=4 3800 B16R2.252 Nc1cc(ncn1)SCc2cccnc2 62a_100000701291_100000741622 [0,1,0,0,0,0|3,0,0]=4 3801 B16R2.252 Nc1cc(ncn1)SCc2cccnc2 62a_100000741622_100000701291 [0,1,0,0,0,0|3,0,0]=4 3802 B16R2.252 Nc1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100000210019 [0,1,0,0,0,0|2,0,1]=4 3803 B16R2.252 Nc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000210019 [0,1,0,0,0,0|2,0,1]=4 3804 B16R2.252 Nc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000210019 [0,1,0,0,0,0|1,0,1]=3 3805 B16R2.252 Nc1cccc(c1)OCc2ccccc2 34a_100000210217_100015291786 [0,1,0,0,0,0|2,0,0]=3 3806 B16R2.252 Nc1cccc(c1)OCc2ccccn2 34a_100000210217_100000721315 [0,1,0,0,0,0|3,0,0]=4 3807 B16R2.252 Nc1cccc(c1)OCc2cccnc2 34a_100000210217_100000733263 [0,1,0,0,0,0|1,0,0]=2 3808 B16R2.252 Nc1cccc(c1)OCc2cccnn2 34a_100000210217_100016990269 [0,1,0,0,0,0|2,0,0]=3 3809 B16R2.252 Nc1cccc(c1)OCc2cnccn2 34a_100000210217_100016995436 [0,1,0,0,0,0|2,0,0]=3 3810 B16R2.252 Nc1cccc(c1)OCc2cncnc2 34a_100000210217_100015196519 [0,1,0,0,0,0|2,0,0]=3 3811 B16R2.252 Nc1cccc(c1)SCc2ccccc2 62a_100000210019_100015291786 [0,1,0,0,0,0|2,0,0]=3 3812 B16R2.252 Nc1cccc(c1)SCc2ccccc2 62a_100000211182_100000210019 [0,1,0,0,0,0|2,0,0]=3 3813 B16R2.252 Nc1cccc(c1)SCc2ccccn2 62a_100000210019_100000721315 [0,1,0,0,0,0|3,0,0]=4 3814 B16R2.252 Nc1cccc(c1)SCc2ccccn2 62a_100000721315_100000210019 [0,1,0,0,0,0|3,0,0]=4 3815 B16R2.252 Nc1cccc(c1)SCc2cccnc2 62a_100000210019_100000741622 [0,1,0,0,0,0|1,0,0]=2 3816 B16R2.252 Nc1cccc(c1)SCc2cccnc2 62a_100000741622_100000210019 [0,1,0,0,0,0|1,0,0]=2 3817 B16R2.252 Nc1cccc(c1)SCc2cccnn2 62a_100000210019_100016990269 [0,1,0,0,0,0|2,0,0]=3 3818 B16R2.252 Nc1cccc(c1)SCc2cccnn2 62a_100016990269_100000210019 [0,1,0,0,0,0|2,0,0]=3 3819 B16R2.252 Nc1cccc(c1)SCc2ccncc2 62a_100000210019_100015193705 [0,1,0,0,0,0|3,0,0]=4 3820 B16R2.252 Nc1cccc(c1)SCc2ccncc2 62a_100015193705_100000210019 [0,1,0,0,0,0|3,0,0]=4 3821 B16R2.252 Nc1cccc(c1)SCc2cnccn2 62a_100000210019_100016995436 [0,1,0,0,0,0|2,0,0]=3 3822 B16R2.252 Nc1cccc(c1)SCc2cnccn2 62a_100016995436_100000210019 [0,1,0,0,0,0|2,0,0]=3 3823 B16R2.252 Nc1cccc(c1)SCc2cncnc2 62a_100000210019_100015196519 [0,1,0,0,0,0|2,0,0]=3 3824 B16R2.252 Nc1cccc(c1)SCc2cncnc2 62a_100015196519_100000210019 [0,1,0,0,0,0|2,0,0]=3 3825 B16R2.252 Nc1cccc(n1)C=Cc2cccnc2 271570a_100102525586_100000740741 [0,1,0,0,0,0|2,0,1]=4 3826 B16R2.252 Nc1cccc(n1)SCc2ccccc2 62a_100000211182_100000740741 [0,1,0,0,0,0|3,0,0]=4 3827 B16R2.252 Nc1cccc(n1)SCc2ccccc2 62a_100000740741_100015291786 [0,1,0,0,0,0|3,0,0]=4 3828 B16R2.252 Nc1cccc(n1)SCc2cccnc2 62a_100000740741_100000741622 [0,1,0,0,0,0|2,0,0]=3 3829 B16R2.252 Nc1cccc(n1)SCc2cccnc2 62a_100000741622_100000740741 [0,1,0,0,0,0|2,0,0]=3 3830 B16R2.252 Nc1cccc(n1)SCc2cccnn2 62a_100000740741_100016990269 [0,1,0,0,0,0|3,0,0]=4 3831 B16R2.252 Nc1cccc(n1)SCc2cccnn2 62a_100016990269_100000740741 [0,1,0,0,0,0|3,0,0]=4 3832 B16R2.252 Nc1cccc(n1)SCc2cnccn2 62a_100000740741_100016995436 [0,1,0,0,0,0|3,0,0]=4 3833 B16R2.252 Nc1cccc(n1)SCc2cnccn2 62a_100016995436_100000740741 [0,1,0,0,0,0|3,0,0]=4 3834 B16R2.252 Nc1cccc(n1)SCc2cncnc2 62a_100000740741_100015196519 [0,1,0,0,0,0|3,0,0]=4 3835 B16R2.252 Nc1cccc(n1)SCc2cncnc2 62a_100015196519_100000740741 [0,1,0,0,0,0|3,0,0]=4 3836 B16R2.252 Nc1ccnc(c1)C=Cc2cccnc2 271570a_100102525586_100009814236 [0,1,0,0,0,0|2,0,1]=4 3837 B16R2.252 Nc1ccnc(c1)SCc2ccccc2 62a_100000211182_100009814236 [0,1,0,0,0,0|3,0,0]=4 3838 B16R2.252 Nc1ccnc(c1)SCc2ccccc2 62a_100009814236_100015291786 [0,1,0,0,0,0|3,0,0]=4 3839 B16R2.252 Nc1ccnc(c1)SCc2cccnc2 62a_100000741622_100009814236 [0,1,0,0,0,0|2,0,0]=3 3840 B16R2.252 Nc1ccnc(c1)SCc2cccnc2 62a_100009814236_100000741622 [0,1,0,0,0,0|2,0,0]=3 3841 B16R2.252 Nc1ccnc(c1)SCc2cccnn2 62a_100009814236_100016990269 [0,1,0,0,0,0|3,0,0]=4 3842 B16R2.252 Nc1ccnc(c1)SCc2cccnn2 62a_100016990269_100009814236 [0,1,0,0,0,0|3,0,0]=4 3843 B16R2.252 Nc1ccnc(c1)SCc2cnccn2 62a_100009814236_100016995436 [0,1,0,0,0,0|3,0,0]=4 3844 B16R2.252 Nc1ccnc(c1)SCc2cnccn2 62a_100016995436_100009814236 [0,1,0,0,0,0|3,0,0]=4 3845 B16R2.252 Nc1ccnc(c1)SCc2cncnc2 62a_100009814236_100015196519 [0,1,0,0,0,0|3,0,0]=4 3846 B16R2.252 Nc1ccnc(c1)SCc2cncnc2 62a_100015196519_100009814236 [0,1,0,0,0,0|3,0,0]=4 3847 B16R2.252 Nc1ccnc(n1)NCc2ccccc2 27a_100015324214_100000757536 [0,1,0,0,0,0|3,0,0]=4 3848 B16R2.252 Nc1ccnc(n1)NCc2cccnc2 27a_100000210453_100000757536 [0,1,0,0,0,0|2,0,0]=3 3849 B16R2.252 Nc1ccnc(n1)NCc2cccnn2 27a_100159270163_100000757536 [0,1,0,0,0,0|3,0,0]=4 3850 B16R2.252 Nc1ccnc(n1)NCc2cnccn2 27a_100000737960_100000757536 [0,1,0,0,0,0|3,0,0]=4 3851 B16R2.252 Nc1ccnc(n1)NCc2cncnc2 27a_100011243677_100000757536 [0,1,0,0,0,0|3,0,0]=4 3852 B16R2.252 Nc1ccnc(n1)SCc2cccnc2 62a_100000741622_100000757536 [0,1,0,0,0,0|3,0,0]=4 3853 B16R2.252 Nc1ccnc(n1)SCc2cccnc2 62a_100000757536_100000741622 [0,1,0,0,0,0|3,0,0]=4 3854 B16R2.252 Nc1cncc(c1)C#Cc2ccccc2 271570a_100000069678_100000687067 [0,1,0,0,0,0|1,0,1]=3 3855 B16R2.252 Nc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100000687067 [0,1,0,0,0,0|1,0,1]=3 3856 B16R2.252 Nc1cncc(c1)C=Cc2cccnc2 271570a_100102525586_100000687067 [0,1,0,0,0,0|2,0,1]=4 3857 B16R2.252 Nc1cncc(c1)OCc2ccccc2 34a_100011997051_100015291786 [0,1,0,0,0,0|2,0,0]=3 3858 B16R2.252 Nc1cncc(c1)OCc2ccccn2 34a_100011997051_100000721315 [0,1,0,0,0,0|3,0,0]=4 3859 B16R2.252 Nc1cncc(c1)OCc2cccnc2 34a_100011997051_100000733263 [0,1,0,0,0,0|2,0,0]=3 3860 B16R2.252 Nc1cncc(c1)OCc2cccnn2 34a_100011997051_100016990269 [0,1,0,0,0,0|3,0,0]=4 3861 B16R2.252 Nc1cncc(c1)OCc2cnccn2 34a_100011997051_100016995436 [0,1,0,0,0,0|3,0,0]=4 3862 B16R2.252 Nc1cncc(c1)OCc2cncnc2 34a_100011997051_100015196519 [0,1,0,0,0,0|3,0,0]=4 3863 B16R2.252 Nc1cncc(c1)SCc2ccccc2 62a_100000211182_100000687067 [0,1,0,0,0,0|2,0,0]=3 3864 B16R2.252 Nc1cncc(c1)SCc2ccccc2 62a_100000687067_100015291786 [0,1,0,0,0,0|2,0,0]=3 3865 B16R2.252 Nc1cncc(c1)SCc2ccccn2 62a_100000687067_100000721315 [0,1,0,0,0,0|3,0,0]=4 3866 B16R2.252 Nc1cncc(c1)SCc2ccccn2 62a_100000721315_100000687067 [0,1,0,0,0,0|3,0,0]=4 3867 B16R2.252 Nc1cncc(c1)SCc2cccnc2 62a_100000687067_100000741622 [0,1,0,0,0,0|2,0,0]=3 3868 B16R2.252 Nc1cncc(c1)SCc2cccnc2 62a_100000741622_100000687067 [0,1,0,0,0,0|2,0,0]=3 3869 B16R2.252 Nc1cncc(c1)SCc2cccnn2 62a_100000687067_100016990269 [0,1,0,0,0,0|3,0,0]=4 3870 B16R2.252 Nc1cncc(c1)SCc2cccnn2 62a_100016990269_100000687067 [0,1,0,0,0,0|3,0,0]=4 3871 B16R2.252 Nc1cncc(c1)SCc2ccncc2 62a_100000687067_100015193705 [0,1,0,0,0,0|3,0,0]=4 3872 B16R2.252 Nc1cncc(c1)SCc2ccncc2 62a_100015193705_100000687067 [0,1,0,0,0,0|3,0,0]=4 3873 B16R2.252 Nc1cncc(c1)SCc2cnccn2 62a_100000687067_100016995436 [0,1,0,0,0,0|3,0,0]=4 3874 B16R2.252 Nc1cncc(c1)SCc2cnccn2 62a_100016995436_100000687067 [0,1,0,0,0,0|3,0,0]=4 3875 B16R2.252 Nc1cncc(c1)SCc2cncnc2 62a_100000687067_100015196519 [0,1,0,0,0,0|3,0,0]=4 3876 B16R2.252 Nc1cncc(c1)SCc2cncnc2 62a_100015196519_100000687067 [0,1,0,0,0,0|3,0,0]=4 3877 B16R2.252 Nc1cncc(n1)C#Cc2ccccc2 271570a_100000069678_100009819714 [0,1,0,0,0,0|2,0,1]=4 3878 B16R2.252 Nc1cncc(n1)C=Cc2ccccc2 271570a_100102527694_100009819714 [0,1,0,0,0,0|2,0,1]=4 3879 B16R2.252 Nc1cncc(n1)SCc2ccccc2 62a_100000211182_100000747728 [0,1,0,0,0,0|3,0,0]=4 3880 B16R2.252 Nc1cncc(n1)SCc2ccccc2 62a_100000747728_100015291786 [0,1,0,0,0,0|3,0,0]=4 3881 B16R2.252 Nc1cncc(n1)SCc2cccnc2 62a_100000741622_100000747728 [0,1,0,0,0,0|3,0,0]=4 3882 B16R2.252 Nc1cncc(n1)SCc2cccnc2 62a_100000747728_100000741622 [0,1,0,0,0,0|3,0,0]=4 3883 B16R2.252 Nc1cnnc(c1)SCc2ccccc2 62a_100000211182_100011996757 [0,1,0,0,0,0|3,0,0]=4 3884 B16R2.252 Nc1cnnc(c1)SCc2ccccc2 62a_100011996757_100015291786 [0,1,0,0,0,0|3,0,0]=4 3885 B16R2.252 Nc1cnnc(c1)SCc2cccnc2 62a_100000741622_100011996757 [0,1,0,0,0,0|3,0,0]=4 3886 B16R2.252 Nc1cnnc(c1)SCc2cccnc2 62a_100011996757_100000741622 [0,1,0,0,0,0|3,0,0]=4 3887 B16R2.252 Nc1nccc(n1)NCc2ccccc2 27a_100015324214_100000055538 [0,1,0,0,0,0|3,0,0]=4 3888 B16R2.252 Nc1nccc(n1)NCc2cccnc2 27a_100000210453_100000055538 [0,1,0,0,0,0|2,0,0]=3 3889 B16R2.252 Nc1nccc(n1)NCc2cccnn2 27a_100159270163_100000055538 [0,1,0,0,0,0|3,0,0]=4 3890 B16R2.252 Nc1nccc(n1)NCc2cnccn2 27a_100000737960_100000055538 [0,1,0,0,0,0|3,0,0]=4 3891 B16R2.252 Nc1nccc(n1)NCc2cncnc2 27a_100011243677_100000055538 [0,1,0,0,0,0|3,0,0]=4 3892 B16R2.252 Nc1nccc(n1)SCc2cccnc2 62a_100000055538_100000741622 [0,1,0,0,0,0|3,0,0]=4 3893 B16R2.252 Nc1nccc(n1)SCc2cccnc2 62a_100000741622_100000055538 [0,1,0,0,0,0|3,0,0]=4 3894 B16R2.252 Nc1ncnc(n1)NCc2cccnc2 27a_100000210453_100000123831 [0,1,0,0,0,0|3,0,0]=4 3895 B16R2.252 O=c1cc(cc[nH]1)C=Cc2cccnc2 271570a_100102525586_100009816521 [0,1,0,0,0,0|2,0,1]=4 3896 B16R2.252 O=c1cc(cc[nH]1)NCc2ccccc2 27a_100015324214_100000061649 [0,1,0,0,0,0|2,0,0]=3 3897 B16R2.252 O=c1cc(cc[nH]1)NCc2ccccn2 27a_100000210449_100000061649 [0,1,0,0,0,0|3,0,0]=4 3898 B16R2.252 O=c1cc(cc[nH]1)NCc2cccnc2 27a_100000210453_100000061649 [0,1,0,0,0,0|1,0,0]=2 3899 B16R2.252 O=c1cc(cc[nH]1)NCc2cccnn2 27a_100159270163_100000061649 [0,1,0,0,0,0|2,0,0]=3 3900 B16R2.252 O=c1cc(cc[nH]1)NCc2ccncc2 27a_100000210450_100000061649 [0,1,0,0,0,0|3,0,0]=4 3901 B16R2.252 O=c1cc(cc[nH]1)NCc2cnccn2 27a_100000737960_100000061649 [0,1,0,0,0,0|2,0,0]=3 3902 B16R2.252 O=c1cc(cc[nH]1)NCc2cncnc2 27a_100011243677_100000061649 [0,1,0,0,0,0|2,0,0]=3 3903 B16R2.252 O=c1cc(cc[nH]1)OCc2ccccc2 34a_100000032262_100015291786 [0,1,0,0,0,0|3,0,0]=4 3904 B16R2.252 O=c1cc(cc[nH]1)OCc2cccnc2 34a_100000032262_100000733263 [0,1,0,0,0,0|2,0,0]=3 3905 B16R2.252 O=c1cc(cc[nH]1)OCc2cccnn2 34a_100000032262_100016990269 [0,1,0,0,0,0|3,0,0]=4 3906 B16R2.252 O=c1cc(cc[nH]1)OCc2cnccn2 34a_100000032262_100016995436 [0,1,0,0,0,0|3,0,0]=4 3907 B16R2.252 O=c1cc(cc[nH]1)OCc2cncnc2 34a_100000032262_100015196519 [0,1,0,0,0,0|3,0,0]=4 3908 B16R2.252 O=c1cc(cc[nH]1)SCc2ccccc2 62a_100000211182_100009816521 [0,1,0,0,0,0|3,0,0]=4 3909 B16R2.252 O=c1cc(cc[nH]1)SCc2ccccc2 62a_100009816521_100015291786 [0,1,0,0,0,0|3,0,0]=4 3910 B16R2.252 O=c1cc(cc[nH]1)SCc2cccnc2 62a_100000741622_100009816521 [0,1,0,0,0,0|2,0,0]=3 3911 B16R2.252 O=c1cc(cc[nH]1)SCc2cccnc2 62a_100009816521_100000741622 [0,1,0,0,0,0|2,0,0]=3 3912 B16R2.252 O=c1cc(cc[nH]1)SCc2cccnn2 62a_100009816521_100016990269 [0,1,0,0,0,0|3,0,0]=4 3913 B16R2.252 O=c1cc(cc[nH]1)SCc2cccnn2 62a_100016990269_100009816521 [0,1,0,0,0,0|3,0,0]=4 3914 B16R2.252 O=c1cc(cc[nH]1)SCc2cnccn2 62a_100009816521_100016995436 [0,1,0,0,0,0|3,0,0]=4 3915 B16R2.252 O=c1cc(cc[nH]1)SCc2cnccn2 62a_100016995436_100009816521 [0,1,0,0,0,0|3,0,0]=4 3916 B16R2.252 O=c1cc(cc[nH]1)SCc2cncnc2 62a_100009816521_100015196519 [0,1,0,0,0,0|3,0,0]=4 3917 B16R2.252 O=c1cc(cc[nH]1)SCc2cncnc2 62a_100015196519_100009816521 [0,1,0,0,0,0|3,0,0]=4 3918 B16R2.252 O=c1cc(cn[nH]1)C#Cc2ccccc2 271570a_100000069678_100010197405 [0,1,0,0,0,0|2,0,1]=4 3919 B16R2.252 O=c1cc(cn[nH]1)C=Cc2ccccc2 271570a_100102527694_100010197405 [0,1,0,0,0,0|2,0,1]=4 3920 B16R2.252 O=c1cc(cn[nH]1)SCc2ccccc2 62a_100000211182_100010197405 [0,1,0,0,0,0|3,0,0]=4 3921 B16R2.252 O=c1cc(cn[nH]1)SCc2cccnc2 62a_100000741622_100010197405 [0,1,0,0,0,0|3,0,0]=4 3922 B16R2.252 O=c1cc(nc[nH]1)SCc2cccnc2 62a_100012002517_100000741622 [0,1,0,0,0,0|3,0,0]=4 3923 B16R2.252 O=c1cc[nH]c(c1)SCc2ccccc2 62a_100009817434_100015291786 [0,1,0,0,0,0|3,0,0]=4 3924 B16R2.252 O=c1cc[nH]c(c1)SCc2cccnc2 62a_100009817434_100000741622 [0,1,0,0,0,0|2,0,0]=3 3925 B16R2.252 O=c1cc[nH]c(c1)SCc2cccnn2 62a_100009817434_100016990269 [0,1,0,0,0,0|3,0,0]=4 3926 B16R2.252 O=c1cc[nH]c(c1)SCc2cnccn2 62a_100009817434_100016995436 [0,1,0,0,0,0|3,0,0]=4 3927 B16R2.252 O=c1cc[nH]c(c1)SCc2cncnc2 62a_100009817434_100015196519 [0,1,0,0,0,0|3,0,0]=4 3928 B16R2.252 O=c1cccc([nH]1)C=Cc2cccnc2 271570a_100102525586_100000761760 [0,1,0,0,0,0|2,0,1]=4 3929 B16R2.252 O=c1cccc([nH]1)CNc2ccccc2 207a_100000106764_100011935257 [0,1,0,0,0,0|2,0,0]=3 3930 B16R2.252 O=c1cccc([nH]1)OCc2ccccc2 34a_100000033347_100015291786 [0,1,0,0,0,0|3,0,0]=4 3931 B16R2.252 O=c1cccc([nH]1)OCc2cccnc2 34a_100000033347_100000733263 [0,1,0,0,0,0|2,0,0]=3 3932 B16R2.252 O=c1cccc([nH]1)OCc2cccnn2 34a_100000033347_100016990269 [0,1,0,0,0,0|3,0,0]=4 3933 B16R2.252 O=c1cccc([nH]1)OCc2cnccn2 34a_100000033347_100016995436 [0,1,0,0,0,0|3,0,0]=4 3934 B16R2.252 O=c1cccc([nH]1)OCc2cncnc2 34a_100000033347_100015196519 [0,1,0,0,0,0|3,0,0]=4 3935 B16R2.252 O=c1cccc([nH]1)SCc2ccccc2 62a_100000211182_100000752884 [0,1,0,0,0,0|3,0,0]=4 3936 B16R2.252 O=c1cccc([nH]1)SCc2cccnc2 62a_100000741622_100000752884 [0,1,0,0,0,0|2,0,0]=3 3937 B16R2.252 O=c1cccc([nH]1)SCc2cccnn2 62a_100016990269_100000752884 [0,1,0,0,0,0|3,0,0]=4 3938 B16R2.252 O=c1cccc([nH]1)SCc2cnccn2 62a_100016995436_100000752884 [0,1,0,0,0,0|3,0,0]=4 3939 B16R2.252 O=c1cccc([nH]1)SCc2cncnc2 62a_100015196519_100000752884 [0,1,0,0,0,0|3,0,0]=4 3940 B16R2.252 O=c1nc(cc[nH]1)NCc2ccccc2 27a_100015324214_200000134032 [0,1,0,0,0,0|3,0,0]=4 3941 B16R2.252 O=c1nc(cc[nH]1)NCc2cccnc2 27a_100000210453_200000134032 [0,1,0,0,0,0|2,0,0]=3 3942 B16R2.252 O=c1nc(cc[nH]1)NCc2cccnn2 27a_100159270163_200000134032 [0,1,0,0,0,0|3,0,0]=4 3943 B16R2.252 O=c1nc(cc[nH]1)NCc2cnccn2 27a_100000737960_200000134032 [0,1,0,0,0,0|3,0,0]=4 3944 B16R2.252 O=c1nc(cc[nH]1)NCc2cncnc2 27a_100011243677_200000134032 [0,1,0,0,0,0|3,0,0]=4 3945 B16R2.252 O=c1nc(cc[nH]1)SCc2cccnc2 62a_100000741622_200000134032 [0,1,0,0,0,0|3,0,0]=4 3946 B16R2.252 Oc1cc(ccn1)CNc2ccccc2 207a_100000106764_100000688113 [0,1,0,0,0,0|2,0,0]=3 3947 B16R2.252 Oc1cc(ccn1)OCc2ccccc2 271570a_203496583355_200000766317 [0,1,0,0,0,0|3,0,0]=4 3948 B16R2.252 Oc1cc(cnn1)OCc2ccccc2 271570a_203496583355_200010116973 [0,1,0,0,0,0|3,0,0]=4 3949 B16R2.252 Oc1cc(ncn1)NCc2ccccc2 271570a_203496583355_100000242484 [0,1,0,0,0,0|3,0,0]=4 3950 B16R2.252 Oc1cc(ncn1)NCc2ccccc2 27a_100015324214_100000765262 [0,1,0,0,0,0|3,0,0]=4 3951 B16R2.252 Oc1cc(ncn1)NCc2cccnc2 27a_100000210453_100000765262 [0,1,0,0,0,0|2,0,0]=3 3952 B16R2.252 Oc1cc(ncn1)NCc2cccnn2 27a_100159270163_100000765262 [0,1,0,0,0,0|3,0,0]=4 3953 B16R2.252 Oc1cc(ncn1)NCc2cnccn2 27a_100000737960_100000765262 [0,1,0,0,0,0|3,0,0]=4 3954 B16R2.252 Oc1cc(ncn1)NCc2cncnc2 27a_100011243677_100000765262 [0,1,0,0,0,0|3,0,0]=4 3955 B16R2.252 Oc1cc(ncn1)SCc2cccnc2 62a_100000741622_100000765262 [0,1,0,0,0,0|3,0,0]=4 3956 B16R2.252 Oc1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100000211634 [0,1,0,0,0,0|2,0,1]=4 3957 B16R2.252 Oc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000211634 [0,1,0,0,0,0|2,0,1]=4 3958 B16R2.252 Oc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000211634 [0,1,0,0,0,0|1,0,1]=3 3959 B16R2.252 Oc1cccc(c1)CNc2ccccc2 207a_100000106764_100000188321 [0,1,0,0,0,0|1,0,0]=2 3960 B16R2.252 Oc1cccc(c1)CNc2ccccc2 34a_100000106764_100011660834 [0,1,0,0,0,0|1,0,0]=2 3961 B16R2.252 Oc1cccc(c1)CNc2cccnn2 27a_100000743036_100016991348 [0,1,0,0,0,0|3,0,0]=4 3962 B16R2.252 Oc1cccc(c1)CNc2ccncn2 27a_100000743036_100000703185 [0,1,0,0,0,0|3,0,0]=4 3963 B16R2.252 Oc1cccc(c1)CNc2cnccn2 27a_100000743036_100000211759 [0,1,0,0,0,0|3,0,0]=4 3964 B16R2.252 Oc1cccc(c1)CNc2ncccn2 27a_100000743036_100000211032 [0,1,0,0,0,0|3,0,0]=4 3965 B16R2.252 Oc1cccc(c1)COc2ccccc2 271570a_203496583355_100000173242 [0,1,0,0,0,0|2,0,0]=3 3966 B16R2.252 Oc1cccc(c1)COc2ccccc2 34a_100000210340_100011660834 [0,1,0,0,0,0|2,0,0]=3 3967 B16R2.252 Oc1cccc(c1)COc2ccccc2 7a_100000210340_100000084143 [0,1,0,0,0,0|2,0,0]=3 3968 B16R2.252 Oc1cccc(c1)COc2cccnc2 34a_100000210849_100011660834 [0,1,0,0,0,0|2,0,0]=3 3969 B16R2.252 Oc1cccc(c1)COc2cccnc2 7a_100000210849_100000084143 [0,1,0,0,0,0|2,0,0]=3 3970 B16R2.252 Oc1cccc(c1)COc2ccncc2 34a_100000212176_100011660834 [0,1,0,0,0,0|3,0,0]=4 3971 B16R2.252 Oc1cccc(c1)COc2ccnnc2 34a_100015204005_100011660834 [0,1,0,0,0,0|3,0,0]=4 3972 B16R2.252 Oc1cccc(c1)COc2cncnc2 7a_100000754086_100000084143 [0,1,0,0,0,0|3,0,0]=4 3973 B16R2.252 Oc1cccc(c1)CSc2ccccc2 62a_100000719477_100011660834 [0,1,0,0,0,0|2,0,0]=3 3974 B16R2.252 Oc1cccc(c1)CSc2ccccc2 62a_100011660834_100000041952 [0,1,0,0,0,0|2,0,0]=3 3975 B16R2.252 Oc1cccc(c1)CSc2ccccn2 62a_100011216584_100011660834 [0,1,0,0,0,0|3,0,0]=4 3976 B16R2.252 Oc1cccc(c1)CSc2ccccn2 62a_100011660834_100011216584 [0,1,0,0,0,0|3,0,0]=4 3977 B16R2.252 Oc1cccc(c1)CSc2cccnc2 62a_100000210063_100011660834 [0,1,0,0,0,0|2,0,0]=3 3978 B16R2.252 Oc1cccc(c1)CSc2cccnc2 62a_100011660834_100000210063 [0,1,0,0,0,0|2,0,0]=3 3979 B16R2.252 Oc1cccc(c1)CSc2cccnn2 62a_100011660834_100016991348 [0,1,0,0,0,0|3,0,0]=4 3980 B16R2.252 Oc1cccc(c1)CSc2cccnn2 62a_100016991348_100011660834 [0,1,0,0,0,0|3,0,0]=4 3981 B16R2.252 Oc1cccc(c1)CSc2ccncc2 62a_100000728582_100011660834 [0,1,0,0,0,0|3,0,0]=4 3982 B16R2.252 Oc1cccc(c1)CSc2ccncc2 62a_100011660834_100000728582 [0,1,0,0,0,0|3,0,0]=4 3983 B16R2.252 Oc1cccc(c1)CSc2ccnnc2 62a_100000732662_100011660834 [0,1,0,0,0,0|3,0,0]=4 3984 B16R2.252 Oc1cccc(c1)CSc2ccnnc2 62a_100011660834_100000732662 [0,1,0,0,0,0|3,0,0]=4 3985 B16R2.252 Oc1cccc(c1)CSc2cnccn2 62a_100000211759_100011660834 [0,1,0,0,0,0|3,0,0]=4 3986 B16R2.252 Oc1cccc(c1)CSc2cnccn2 62a_100011660834_100000211759 [0,1,0,0,0,0|3,0,0]=4 3987 B16R2.252 Oc1cccc(c1)CSc2cncnc2 62a_100011206942_100011660834 [0,1,0,0,0,0|3,0,0]=4 3988 B16R2.252 Oc1cccc(c1)CSc2cncnc2 62a_100011660834_100011206942 [0,1,0,0,0,0|3,0,0]=4 3989 B16R2.252 Oc1cccc(c1)NCc2ccccc2 270302a_100000210217_100015611070 [0,1,0,0,0,0|1,0,0]=2 3990 B16R2.252 Oc1cccc(c1)NCc2ccccc2 271570a_203496583355_100000224063 [0,1,0,0,0,0|1,0,0]=2 3991 B16R2.252 Oc1cccc(c1)NCc2ccccc2 34a_100000210217_100015291786 [0,1,0,0,0,0|1,0,0]=2 3992 B16R2.252 Oc1cccc(c1)NCc2ccccn2 270302a_100000210217_100000209966 [0,1,0,0,0,0|2,0,0]=3 3993 B16R2.252 Oc1cccc(c1)NCc2ccccn2 34a_100000210217_100000721315 [0,1,0,0,0,0|2,0,0]=3 3994 B16R2.252 Oc1cccc(c1)NCc2cccnc2 270302a_100000210217_100000209961 [0,1,0,0,0,0|0,0,0]=1 3995 B16R2.252 Oc1cccc(c1)NCc2cccnc2 34a_100000210217_100000733263 [0,1,0,0,0,0|0,0,0]=1 3996 B16R2.252 Oc1cccc(c1)NCc2cccnn2 34a_100000210217_100016990269 [0,1,0,0,0,0|1,0,0]=2 3997 B16R2.252 Oc1cccc(c1)NCc2ccnnc2 270302a_100000210217_100011934578 [0,1,0,0,0,0|1,0,0]=2 3998 B16R2.252 Oc1cccc(c1)NCc2cnccn2 34a_100000210217_100016995436 [0,1,0,0,0,0|1,0,0]=2 3999 B16R2.252 Oc1cccc(c1)NCc2cncnc2 270302a_100000210217_100000749868 [0,1,0,0,0,0|1,0,0]=2 4000 B16R2.252 Oc1cccc(c1)NCc2cncnc2 34a_100000210217_100015196519 [0,1,0,0,0,0|1,0,0]=2 4001 B16R2.252 Oc1cccc(c1)NCc2ncccn2 34a_100000210217_100000703007 [0,1,0,0,0,0|3,0,0]=4 4002 B16R2.252 Oc1cccc(c1)OCc2ccccc2 271570a_203496583355_100000151840 [0,1,0,0,0,0|2,0,0]=3 4003 B16R2.252 Oc1cccc(c1)OCc2ccccn2 271570a_203496583355_200011214830 [0,1,0,0,0,0|3,0,0]=4 4004 B16R2.252 Oc1cccc(c1)SCc2ccccc2 271570a_203496583355_100103287807 [0,1,0,0,0,0|2,0,0]=3 4005 B16R2.252 Oc1cccc(c1)SCc2ccccc2 62a_100000211182_100000211634 [0,1,0,0,0,0|2,0,0]=3 4006 B16R2.252 Oc1cccc(c1)SCc2ccccn2 62a_100000721315_100000211634 [0,1,0,0,0,0|3,0,0]=4 4007 B16R2.252 Oc1cccc(c1)SCc2cccnc2 62a_100000741622_100000211634 [0,1,0,0,0,0|1,0,0]=2 4008 B16R2.252 Oc1cccc(c1)SCc2cccnn2 62a_100016990269_100000211634 [0,1,0,0,0,0|2,0,0]=3 4009 B16R2.252 Oc1cccc(c1)SCc2ccncc2 62a_100015193705_100000211634 [0,1,0,0,0,0|3,0,0]=4 4010 B16R2.252 Oc1cccc(c1)SCc2cnccn2 62a_100016995436_100000211634 [0,1,0,0,0,0|2,0,0]=3 4011 B16R2.252 Oc1cccc(c1)SCc2cncnc2 62a_100015196519_100000211634 [0,1,0,0,0,0|2,0,0]=3 4012 B16R2.252 Oc1cccc(n1)NCc2ccccc2 271570a_203496583355_200011960457 [0,1,0,0,0,0|2,0,0]=3 4013 B16R2.252 Oc1cccc(n1)OCc2ccccc2 271570a_203496583355_100011960212 [0,1,0,0,0,0|3,0,0]=4 4014 B16R2.252 Oc1ccnc(c1)C=Cc2cccnc2 271570a_100102525586_100000762945 [0,1,0,0,0,0|2,0,1]=4 4015 B16R2.252 Oc1ccnc(c1)OCc2ccccc2 271570a_203496583355_200010986176 [0,1,0,0,0,0|3,0,0]=4 4016 B16R2.252 Oc1ccnc(c1)SCc2ccccc2 271570a_203496583355_100042452854 [0,1,0,0,0,0|3,0,0]=4 4017 B16R2.252 Oc1ccnc(c1)SCc2ccccc2 62a_100000211182_100000762945 [0,1,0,0,0,0|3,0,0]=4 4018 B16R2.252 Oc1ccnc(c1)SCc2cccnc2 62a_100000741622_100000762945 [0,1,0,0,0,0|2,0,0]=3 4019 B16R2.252 Oc1ccnc(c1)SCc2cccnn2 62a_100016990269_100000762945 [0,1,0,0,0,0|3,0,0]=4 4020 B16R2.252 Oc1ccnc(c1)SCc2cnccn2 62a_100016995436_100000762945 [0,1,0,0,0,0|3,0,0]=4 4021 B16R2.252 Oc1ccnc(c1)SCc2cncnc2 62a_100015196519_100000762945 [0,1,0,0,0,0|3,0,0]=4 4022 B16R2.252 Oc1ccnc(n1)NCc2ccccc2 27a_100015324214_100011649813 [0,1,0,0,0,0|3,0,0]=4 4023 B16R2.252 Oc1ccnc(n1)NCc2cccnc2 27a_100000210453_100011649813 [0,1,0,0,0,0|2,0,0]=3 4024 B16R2.252 Oc1ccnc(n1)NCc2cccnn2 27a_100159270163_100011649813 [0,1,0,0,0,0|3,0,0]=4 4025 B16R2.252 Oc1ccnc(n1)NCc2cnccn2 27a_100000737960_100011649813 [0,1,0,0,0,0|3,0,0]=4 4026 B16R2.252 Oc1ccnc(n1)NCc2cncnc2 27a_100011243677_100011649813 [0,1,0,0,0,0|3,0,0]=4 4027 B16R2.252 Oc1ccnc(n1)SCc2cccnc2 62a_100000741622_100011649813 [0,1,0,0,0,0|3,0,0]=4 4028 B16R2.252 Oc1cncc(c1)C#Cc2ccccc2 271570a_100000069678_100000754920 [0,1,0,0,0,0|1,0,1]=3 4029 B16R2.252 Oc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100000754920 [0,1,0,0,0,0|1,0,1]=3 4030 B16R2.252 Oc1cncc(c1)C=Cc2cccnc2 271570a_100102525586_100000754920 [0,1,0,0,0,0|2,0,1]=4 4031 B16R2.252 Oc1cncc(c1)CNc2ccccc2 207a_100000106764_100012187055 [0,1,0,0,0,0|0,0,0]=1 4032 B16R2.252 Oc1cncc(c1)OCc2ccccc2 271570a_203496583355_100012029532 [0,1,0,0,0,0|2,0,0]=3 4033 B16R2.252 Oc1cncc(c1)SCc2ccccc2 62a_100000211182_100000754920 [0,1,0,0,0,0|2,0,0]=3 4034 B16R2.252 Oc1cncc(c1)SCc2ccccc2 62a_100000754920_100015291786 [0,1,0,0,0,0|2,0,0]=3 4035 B16R2.252 Oc1cncc(c1)SCc2ccccn2 62a_100000721315_100000754920 [0,1,0,0,0,0|3,0,0]=4 4036 B16R2.252 Oc1cncc(c1)SCc2ccccn2 62a_100000754920_100000721315 [0,1,0,0,0,0|3,0,0]=4 4037 B16R2.252 Oc1cncc(c1)SCc2cccnc2 62a_100000741622_100000754920 [0,1,0,0,0,0|2,0,0]=3 4038 B16R2.252 Oc1cncc(c1)SCc2cccnc2 62a_100000754920_100000741622 [0,1,0,0,0,0|2,0,0]=3 4039 B16R2.252 Oc1cncc(c1)SCc2cccnn2 62a_100000754920_100016990269 [0,1,0,0,0,0|3,0,0]=4 4040 B16R2.252 Oc1cncc(c1)SCc2cccnn2 62a_100016990269_100000754920 [0,1,0,0,0,0|3,0,0]=4 4041 B16R2.252 Oc1cncc(c1)SCc2ccncc2 62a_100000754920_100015193705 [0,1,0,0,0,0|3,0,0]=4 4042 B16R2.252 Oc1cncc(c1)SCc2ccncc2 62a_100015193705_100000754920 [0,1,0,0,0,0|3,0,0]=4 4043 B16R2.252 Oc1cncc(c1)SCc2cnccn2 62a_100000754920_100016995436 [0,1,0,0,0,0|3,0,0]=4 4044 B16R2.252 Oc1cncc(c1)SCc2cnccn2 62a_100016995436_100000754920 [0,1,0,0,0,0|3,0,0]=4 4045 B16R2.252 Oc1cncc(c1)SCc2cncnc2 62a_100000754920_100015196519 [0,1,0,0,0,0|3,0,0]=4 4046 B16R2.252 Oc1cncc(c1)SCc2cncnc2 62a_100015196519_100000754920 [0,1,0,0,0,0|3,0,0]=4 4047 B16R2.252 Oc1cncc(n1)C#Cc2ccccc2 271570a_100000069678_100011269956 [0,1,0,0,0,0|2,0,1]=4 4048 B16R2.252 Oc1cncc(n1)C=Cc2ccccc2 271570a_100102527694_100011269956 [0,1,0,0,0,0|2,0,1]=4 4049 B16R2.252 Oc1cncc(n1)NCc2ccccc2 271570a_203496583355_200000243942 [0,1,0,0,0,0|3,0,0]=4 4050 B16R2.252 Oc1cncc(n1)OCc2ccccc2 271570a_203496583355_100000243162 [0,1,0,0,0,0|3,0,0]=4 4051 B16R2.252 Oc1cncc(n1)SCc2ccccc2 62a_100000211182_100011269956 [0,1,0,0,0,0|3,0,0]=4 4052 B16R2.252 Oc1cncc(n1)SCc2cccnc2 62a_100000741622_100011269956 [0,1,0,0,0,0|3,0,0]=4 4053 B16R2.252 Oc1cnnc(c1)C#Cc2ccccc2 271570a_100000069678_200010734679 [0,1,0,0,0,0|2,0,1]=4 4054 B16R2.252 Oc1cnnc(c1)C=Cc2ccccc2 271570a_100102527694_200010734679 [0,1,0,0,0,0|2,0,1]=4 4055 B16R2.252 Oc1cnnc(c1)SCc2ccccc2 62a_100000211182_200010734679 [0,1,0,0,0,0|3,0,0]=4 4056 B16R2.252 Oc1cnnc(c1)SCc2cccnc2 62a_100000741622_200010734679 [0,1,0,0,0,0|3,0,0]=4 4057 B16R2.252 [O-][n+]1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100009815978 [0,1,0,0,0,0|1,0,2]=4 4058 B16R2.252 [O-][n+]1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100009815978 [0,1,0,0,0,0|1,0,2]=4 4059 B16R2.252 [O-][n+]1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100009815978 [0,1,0,0,0,0|2,0,1]=4 4060 B16R2.252 [O-][n+]1cccc(c1)OCc2ccccc2 34a_100000039713_100015291786 [0,1,0,0,0,0|2,0,1]=4 4061 B16R2.252 [O-][n+]1cccc(c1)OCc2ccccc2 7a_100000039713_100000211182 [0,1,0,0,0,0|2,0,1]=4 4062 B16R2.252 [O-][n+]1cccc(c1)OCc2cccnc2 34a_100000039713_100000733263 [0,1,0,0,0,0|2,0,0]=3 4063 B16R2.252 [O-][n+]1cccc(c1)OCc2cccnc2 7a_100000039713_100000741622 [0,1,0,0,0,0|2,0,0]=3 4064 B16R2.252 [O-][n+]1cccc(c1)OCc2cccnn2 34a_100000039713_100016990269 [0,1,0,0,0,0|3,0,0]=4 4065 B16R2.252 [O-][n+]1cccc(c1)OCc2cccnn2 7a_100000039713_100016990269 [0,1,0,0,0,0|3,0,0]=4 4066 B16R2.252 [O-][n+]1cccc(c1)OCc2cnccn2 34a_100000039713_100016995436 [0,1,0,0,0,0|3,0,0]=4 4067 B16R2.252 [O-][n+]1cccc(c1)OCc2cnccn2 7a_100000039713_100016995436 [0,1,0,0,0,0|3,0,0]=4 4068 B16R2.252 [O-][n+]1cccc(c1)OCc2cncnc2 34a_100000039713_100015196519 [0,1,0,0,0,0|3,0,0]=4 4069 B16R2.252 [O-][n+]1cccc(c1)OCc2cncnc2 7a_100000039713_100015196519 [0,1,0,0,0,0|3,0,0]=4 4070 B16R2.252 [O-][n+]1cccc(c1)SCc2ccccc2 62a_100000211182_100009815978 [0,1,0,0,0,0|2,0,1]=4 4071 B16R2.252 [O-][n+]1cccc(c1)SCc2cccnc2 62a_100000741622_100009815978 [0,1,0,0,0,0|2,0,0]=3 4072 B16R2.252 [O-][n+]1cccc(c1)SCc2cccnn2 62a_100016990269_100009815978 [0,1,0,0,0,0|3,0,0]=4 4073 B16R2.252 [O-][n+]1cccc(c1)SCc2cnccn2 62a_100016995436_100009815978 [0,1,0,0,0,0|3,0,0]=4 4074 B16R2.252 [O-][n+]1cccc(c1)SCc2cncnc2 62a_100015196519_100009815978 [0,1,0,0,0,0|3,0,0]=4 4075 B16R2.252 [O-][n+]1ccnc(c1)NCc2ccccc2 27a_100015324214_100009880115 [0,1,0,0,0,0|3,0,0]=4 4076 B16R2.252 [O-][n+]1ccnc(c1)NCc2cccnc2 27a_100000210453_100009880115 [0,1,0,0,0,0|2,0,0]=3 4077 B16R2.252 [O-][n+]1ccnc(c1)NCc2cccnn2 27a_100159270163_100009880115 [0,1,0,0,0,0|3,0,0]=4 4078 B16R2.252 [O-][n+]1ccnc(c1)NCc2cnccn2 27a_100000737960_100009880115 [0,1,0,0,0,0|3,0,0]=4 4079 B16R2.252 [O-][n+]1ccnc(c1)NCc2cncnc2 27a_100011243677_100009880115 [0,1,0,0,0,0|3,0,0]=4 4080 B16R2.252 [O-][n+]1ccnc(c1)SCc2cccnc2 62a_100000741622_100009880115 [0,1,0,0,0,0|3,0,0]=4 4081 B16R2.252 [S]c1cccc(c1)C#Cc2ccccc2 271570a_100000069678_114929384022 [0,1,0,0,0,0|2,0,1]=4 4082 B16R2.252 [S]c1cccc(c1)C=Cc2ccccc2 271570a_100102527694_114929384022 [0,1,0,0,0,0|2,0,1]=4 4083 B16R2.252 [S]c1cccc(c1)C=Cc2cccnc2 271570a_100102525586_114929384022 [0,1,0,0,0,0|1,0,1]=3 4084 B16R2.252 [S]c1cccc(c1)SCc2ccccc2 62a_100000211182_114929384022 [0,1,0,0,0,0|2,0,0]=3 4085 B16R2.252 [S]c1cccc(c1)SCc2ccccc2 62a_114929384022_100015291786 [0,1,0,0,0,0|2,0,0]=3 4086 B16R2.252 [S]c1cccc(c1)SCc2ccccn2 62a_100000721315_114929384022 [0,1,0,0,0,0|3,0,0]=4 4087 B16R2.252 [S]c1cccc(c1)SCc2ccccn2 62a_114929384022_100000721315 [0,1,0,0,0,0|3,0,0]=4 4088 B16R2.252 [S]c1cccc(c1)SCc2cccnc2 62a_100000741622_114929384022 [0,1,0,0,0,0|1,0,0]=2 4089 B16R2.252 [S]c1cccc(c1)SCc2cccnc2 62a_114929384022_100000741622 [0,1,0,0,0,0|1,0,0]=2 4090 B16R2.252 [S]c1cccc(c1)SCc2cccnn2 62a_100016990269_114929384022 [0,1,0,0,0,0|2,0,0]=3 4091 B16R2.252 [S]c1cccc(c1)SCc2cccnn2 62a_114929384022_100016990269 [0,1,0,0,0,0|2,0,0]=3 4092 B16R2.252 [S]c1cccc(c1)SCc2ccncc2 62a_100015193705_114929384022 [0,1,0,0,0,0|3,0,0]=4 4093 B16R2.252 [S]c1cccc(c1)SCc2ccncc2 62a_114929384022_100015193705 [0,1,0,0,0,0|3,0,0]=4 4094 B16R2.252 [S]c1cccc(c1)SCc2cnccn2 62a_100016995436_114929384022 [0,1,0,0,0,0|2,0,0]=3 4095 B16R2.252 [S]c1cccc(c1)SCc2cnccn2 62a_114929384022_100016995436 [0,1,0,0,0,0|2,0,0]=3 4096 B16R2.252 [S]c1cccc(c1)SCc2cncnc2 62a_100015196519_114929384022 [0,1,0,0,0,0|2,0,0]=3 4097 B16R2.252 [S]c1cccc(c1)SCc2cncnc2 62a_114929384022_100015196519 [0,1,0,0,0,0|2,0,0]=3 4098 B14R1.123 C/C=C/C=C/COCc1cccnc1 34a_100016283227_100000733263 [0,0,1,0,0,0|1,0,2]=4 4099 B14R1.123 C=CCCC=NNCc1cccnc1 4a_100000738295_100011216789 [0,0,1,0,0,0|1,0,2]=4 4100 B14R1.123 CC=CC=CC=NNc1ccccc1 4a_100015195140_100000691131 [0,0,1,0,0,0|2,0,1]=4 4101 B14R1.123 CC=CC=CC=NNc1cccnc1 4a_100000728903_100000691131 [0,0,1,0,0,0|1,0,2]=4 4102 B14R1.123 CCC=CC=NNCc1cccnc1 4a_100000738295_100011216943 [0,0,1,0,0,0|1,0,2]=4 4103 B14R1.156 C=CC=CC(=O)CCc1ccccc1 1458a_100016291481_100000765856 [0,0,1,0,0,0|3,0,0]=4 4104 B14R1.156 C=CC=CC(=O)CCc1cccnc1 1458a_100016291481_200011713674 [0,0,1,0,0,0|2,0,0]=3 4105 B14R1.156 C=CC=CC(=O)NCc1ccccc1 1626a_100015324214_100016291481 [0,0,1,0,0,0|2,0,0]=3 4106 B14R1.156 C=CC=CC(=O)NCc1ccccn1 1626a_100000210449_100016291481 [0,0,1,0,0,0|3,0,0]=4 4107 B14R1.156 C=CC=CC(=O)NCc1ccncc1 1626a_100000210450_100016291481 [0,0,1,0,0,0|3,0,0]=4 4108 B14R1.156 C=CC=CC(=O)NNc1ccccc1 22a_100015195140_100016291481 [0,0,1,0,0,0|3,0,0]=4 4109 B14R1.156 C=CC=CC(=O)NNc1cccnc1 22a_100000728903_100016291481 [0,0,1,0,0,0|2,0,0]=3 4110 B14R1.156 C=CC=CC(=O)NNc1cccnn1 22a_100000757824_100016291481 [0,0,1,0,0,0|3,0,0]=4 4111 B14R1.156 C=CC=CC(=O)NNc1cnccn1 22a_100000736894_100016291481 [0,0,1,0,0,0|3,0,0]=4 4112 B14R1.156 C=CCCC(=O)NCc1cccnc1 11a_100000210453_100000749702 [0,0,1,0,0,0|1,0,2]=4 4113 B14R1.156 C=CCCC(=O)NCc1cccnc1 240690a_100000210453_100000749702 [0,0,1,0,0,0|1,0,2]=4 4114 B14R1.156 C=CCCC(=O)NCc1cccnc1 527a_100000210453_100000749702 [0,0,1,0,0,0|1,0,2]=4 4115 B14R1.156 C=CCNC(=O)NCc1cccnc1 2708a_100000210453_100020586998 [0,0,1,0,0,0|2,0,1]=4 4116 B14R1.156 C=CCNC(=O)NCc1cccnc1 273464a_100000210453_100020586998 [0,0,1,0,0,0|2,0,1]=4 4117 B14R1.156 C=CCNC(=O)NCc1cccnc1 273464a_100020586998_100000210453 [0,0,1,0,0,0|2,0,1]=4 4118 B14R1.156 C=CCNC(=O)NCc1cccnc1 512a_100000210453_100020586998 [0,0,1,0,0,0|2,0,1]=4 4119 B14R1.156 C=CCNC(=O)NCc1cccnc1 512a_100020586998_100000210453 [0,0,1,0,0,0|2,0,1]=4 4120 B14R1.156 C=CCOC(=O)CNc1ccccc1 34a_100000106764_100000033060 [0,0,1,0,0,0|3,0,0]=4 4121 B14R1.156 CC=CCC(=O)NCc1cccnc1 11a_100000210453_100121576822 [0,0,1,0,0,0|1,0,2]=4 4122 B14R1.156 CC=CCC(=O)NCc1cccnc1 240690a_100000210453_100121576822 [0,0,1,0,0,0|1,0,2]=4 4123 B14R1.156 CC=CCC(=O)NCc1cccnc1 527a_100000210453_100121576822 [0,0,1,0,0,0|1,0,2]=4 4124 B14R1.156 CCC=CC(=O)NCc1cccnc1 11a_100000210453_100000212282 [0,0,1,0,0,0|1,0,2]=4 4125 B14R1.156 CCC=CC(=O)NCc1cccnc1 240690a_100000210453_100000212282 [0,0,1,0,0,0|1,0,2]=4 4126 B14R1.156 COC=CC(=O)NCc1cccnc1 240690a_100000210453_100016268678 [0,0,1,0,0,0|2,0,1]=4 4127 B14R1.979 C=CCC(C=C)OCc1cccnc1 34a_100000038011_100000733263 [0,0,1,0,0,0|1,0,2]=4 4128 B14R1.979 C=CCC(C=C)OCc1cccnc1 7a_100000038011_100000741622 [0,0,1,0,0,0|1,0,2]=4 4129 B14R2.6 c1cc(ccn1)Sc2ccnnc2 62a_100000728582_100000732662 [0,0,0,0,1,0|3,0,0]=4 4130 B14R2.6 c1cc(ccn1)Sc2ccnnc2 62a_100000732662_100000728582 [0,0,0,0,1,0|3,0,0]=4 4131 B14R2.6 c1cc(ccn1)Sc2cnccn2 62a_100000211759_100000728582 [0,0,0,0,1,0|3,0,0]=4 4132 B14R2.6 c1cc(ccn1)Sc2cnccn2 62a_100000728582_100000211759 [0,0,0,0,1,0|3,0,0]=4 4133 B14R2.6 c1cc(ccn1)Sc2cncnc2 62a_100000728582_100011206942 [0,0,0,0,1,0|3,0,0]=4 4134 B14R2.6 c1cc(ccn1)Sc2cncnc2 62a_100011206942_100000728582 [0,0,0,0,1,0|3,0,0]=4 4135 B14R2.6 c1ccc(cc1)Nc2cccnn2 27a_100000106764_100016991348 [0,0,0,0,1,0|1,0,0]=2 4136 B14R2.6 c1ccc(cc1)Nc2ccncn2 27a_100000106764_100000703185 [0,0,0,0,1,0|3,0,0]=4 4137 B14R2.6 c1ccc(cc1)Nc2cnccn2 27a_100000106764_100000211759 [0,0,0,0,1,0|1,0,0]=2 4138 B14R2.6 c1ccc(cc1)Nc2ncccn2 27a_100000106764_100000211032 [0,0,0,0,1,0|3,0,0]=4 4139 B14R2.6 c1ccc(cc1)Sc2ccccc2 62a_100000719477_100000041952 [0,0,0,0,1,0|2,0,0]=3 4140 B14R2.6 c1ccc(cc1)Sc2ccccn2 62a_100000719477_100011216584 [0,0,0,0,1,0|3,0,0]=4 4141 B14R2.6 c1ccc(cc1)Sc2ccccn2 62a_100011216584_100000041952 [0,0,0,0,1,0|3,0,0]=4 4142 B14R2.6 c1ccc(cc1)Sc2cccnc2 62a_100000210063_100000041952 [0,0,0,0,1,0|1,0,0]=2 4143 B14R2.6 c1ccc(cc1)Sc2cccnc2 62a_100000719477_100000210063 [0,0,0,0,1,0|1,0,0]=2 4144 B14R2.6 c1ccc(cc1)Sc2cccnn2 62a_100000719477_100016991348 [0,0,0,0,1,0|2,0,0]=3 4145 B14R2.6 c1ccc(cc1)Sc2cccnn2 62a_100016991348_100000041952 [0,0,0,0,1,0|2,0,0]=3 4146 B14R2.6 c1ccc(cc1)Sc2ccncc2 62a_100000719477_100000728582 [0,0,0,0,1,0|3,0,0]=4 4147 B14R2.6 c1ccc(cc1)Sc2ccncc2 62a_100000728582_100000041952 [0,0,0,0,1,0|3,0,0]=4 4148 B14R2.6 c1ccc(cc1)Sc2ccnnc2 62a_100000719477_100000732662 [0,0,0,0,1,0|2,0,0]=3 4149 B14R2.6 c1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000041952 [0,0,0,0,1,0|2,0,0]=3 4150 B14R2.6 c1ccc(cc1)Sc2cnccn2 62a_100000211759_100000041952 [0,0,0,0,1,0|2,0,0]=3 4151 B14R2.6 c1ccc(cc1)Sc2cnccn2 62a_100000719477_100000211759 [0,0,0,0,1,0|2,0,0]=3 4152 B14R2.6 c1ccc(cc1)Sc2cncnc2 62a_100000719477_100011206942 [0,0,0,0,1,0|2,0,0]=3 4153 B14R2.6 c1ccc(cc1)Sc2cncnc2 62a_100011206942_100000041952 [0,0,0,0,1,0|2,0,0]=3 4154 B14R2.6 c1ccc(cc1)Sc2cnnnc2 62a_100000719477_100009846058 [0,0,0,0,1,0|3,0,0]=4 4155 B14R2.6 c1ccc(cc1)Sc2cnnnc2 62a_100009846058_100000041952 [0,0,0,0,1,0|3,0,0]=4 4156 B14R2.6 c1ccc(nc1)Sc2cccnc2 62a_100000210063_100011216584 [0,0,0,0,1,0|2,0,0]=3 4157 B14R2.6 c1ccc(nc1)Sc2cccnc2 62a_100011216584_100000210063 [0,0,0,0,1,0|2,0,0]=3 4158 B14R2.6 c1ccc(nc1)Sc2cccnn2 62a_100011216584_100016991348 [0,0,0,0,1,0|3,0,0]=4 4159 B14R2.6 c1ccc(nc1)Sc2cccnn2 62a_100016991348_100011216584 [0,0,0,0,1,0|3,0,0]=4 4160 B14R2.6 c1ccc(nc1)Sc2ccnnc2 62a_100000732662_100011216584 [0,0,0,0,1,0|3,0,0]=4 4161 B14R2.6 c1ccc(nc1)Sc2ccnnc2 62a_100011216584_100000732662 [0,0,0,0,1,0|3,0,0]=4 4162 B14R2.6 c1ccc(nc1)Sc2cnccn2 62a_100000211759_100011216584 [0,0,0,0,1,0|3,0,0]=4 4163 B14R2.6 c1ccc(nc1)Sc2cnccn2 62a_100011216584_100000211759 [0,0,0,0,1,0|3,0,0]=4 4164 B14R2.6 c1ccc(nc1)Sc2cncnc2 62a_100011206942_100011216584 [0,0,0,0,1,0|3,0,0]=4 4165 B14R2.6 c1ccc(nc1)Sc2cncnc2 62a_100011216584_100011206942 [0,0,0,0,1,0|3,0,0]=4 4166 B14R2.6 c1cnc(nc1)Sc2cccnc2 62a_100000210063_100000211032 [0,0,0,0,1,0|3,0,0]=4 4167 B14R2.6 c1cnc(nc1)Sc2cccnc2 62a_100000211032_100000210063 [0,0,0,0,1,0|3,0,0]=4 4168 B14R2.6 c1cncc(c1)Sc2cccnc2 62a_100000210063_100000210063 [0,0,0,0,1,0|2,0,0]=3 4169 B14R2.6 c1cncc(c1)Sc2cccnn2 62a_100000210063_100016991348 [0,0,0,0,1,0|3,0,0]=4 4170 B14R2.6 c1cncc(c1)Sc2cccnn2 62a_100016991348_100000210063 [0,0,0,0,1,0|3,0,0]=4 4171 B14R2.6 c1cncc(c1)Sc2ccncc2 62a_100000210063_100000728582 [0,0,0,0,1,0|2,0,0]=3 4172 B14R2.6 c1cncc(c1)Sc2ccncc2 62a_100000728582_100000210063 [0,0,0,0,1,0|2,0,0]=3 4173 B14R2.6 c1cncc(c1)Sc2ccncn2 62a_100000210063_100000703185 [0,0,0,0,1,0|3,0,0]=4 4174 B14R2.6 c1cncc(c1)Sc2ccncn2 62a_100000703185_100000210063 [0,0,0,0,1,0|3,0,0]=4 4175 B14R2.6 c1cncc(c1)Sc2ccnnc2 62a_100000210063_100000732662 [0,0,0,0,1,0|3,0,0]=4 4176 B14R2.6 c1cncc(c1)Sc2ccnnc2 62a_100000732662_100000210063 [0,0,0,0,1,0|3,0,0]=4 4177 B14R2.6 c1cncc(c1)Sc2cnccn2 62a_100000210063_100000211759 [0,0,0,0,1,0|3,0,0]=4 4178 B14R2.6 c1cncc(c1)Sc2cnccn2 62a_100000211759_100000210063 [0,0,0,0,1,0|3,0,0]=4 4179 B14R2.6 c1cncc(c1)Sc2cncnc2 62a_100000210063_100011206942 [0,0,0,0,1,0|3,0,0]=4 4180 B14R2.6 c1cncc(c1)Sc2cncnc2 62a_100011206942_100000210063 [0,0,0,0,1,0|3,0,0]=4 4181 B14R2.6 c1cnnc(c1)Sc2ccncc2 62a_100000728582_100016991348 [0,0,0,0,1,0|3,0,0]=4 4182 B14R2.6 c1cnnc(c1)Sc2ccncc2 62a_100016991348_100000728582 [0,0,0,0,1,0|3,0,0]=4 4183 B14R2.101 C(#Cc1c[nH]cn1)c2ccccc2 271570a_100000069678_100000756875 [0,0,0,0,1,0|2,0,1]=4 4184 B14R2.101 C(#Cc1cc[nH]n1)c2ccccc2 271570a_100000069678_100000062575 [0,0,0,0,1,0|2,0,1]=4 4185 B14R2.101 C(#Cc1ccco1)c2ccccc2 271570a_100000069678_100009814098 [0,0,0,0,1,0|2,0,1]=4 4186 B14R2.101 C(#Cc1cccs1)c2ccccc2 271570a_100000069678_100011215356 [0,0,0,0,1,0|2,0,1]=4 4187 B14R2.101 C(#Cc1ccoc1)c2ccccc2 271570a_100000069678_100011215275 [0,0,0,0,1,0|2,0,1]=4 4188 B14R2.101 C(#Cc1ccsc1)c2ccccc2 271570a_100000069678_100000738268 [0,0,0,0,1,0|2,0,1]=4 4189 B14R2.101 C(#Cc1ccsn1)c2ccccc2 271570a_100000069678_100009818082 [0,0,0,0,1,0|2,0,1]=4 4190 B14R2.101 C(#Cc1cn[nH]c1)c2ccccc2 271570a_100000069678_100000238712 [0,0,0,0,1,0|2,0,1]=4 4191 B14R2.101 C(#Cc1cnco1)c2ccccc2 271570a_100000069678_100020591547 [0,0,0,0,1,0|2,0,1]=4 4192 B14R2.101 C(#Cc1cncs1)c2ccccc2 271570a_100000069678_100011934649 [0,0,0,0,1,0|2,0,1]=4 4193 B14R2.101 C(#Cc1cnoc1)c2ccccc2 271570a_100000069678_100009815712 [0,0,0,0,1,0|2,0,1]=4 4194 B14R2.101 C(#Cc1cnsc1)c2ccccc2 271570a_100000069678_100009815736 [0,0,0,0,1,0|2,0,1]=4 4195 B14R2.101 C(#Cc1cscn1)c2ccccc2 271570a_100000069678_100000751502 [0,0,0,0,1,0|2,0,1]=4 4196 B14R2.101 C(#Cc1ncc[nH]1)c2ccccc2 271570a_100000069678_100025796157 [0,0,0,0,1,0|2,0,1]=4 4197 B14R2.101 C(#Cc1ncco1)c2ccccc2 271570a_100000069678_100011787736 [0,0,0,0,1,0|2,0,1]=4 4198 B14R2.101 C(#Cc1nccs1)c2ccccc2 271570a_100000069678_100000211983 [0,0,0,0,1,0|2,0,1]=4 4199 B14R2.101 C(=Cc1c[nH]cn1)c2ccccc2 271570a_100102527694_100000756875 [0,0,0,0,1,0|2,0,1]=4 4200 B14R2.101 C(=Cc1cc[nH]n1)c2ccccc2 271570a_100102527694_100000062575 [0,0,0,0,1,0|2,0,1]=4 4201 B14R2.101 C(=Cc1ccco1)c2ccccc2 271570a_100102527694_100009814098 [0,0,0,0,1,0|2,0,1]=4 4202 B14R2.101 C(=Cc1ccco1)c2cccnc2 271570a_100102525586_100009814098 [0,0,0,0,1,0|2,0,1]=4 4203 B14R2.101 C(=Cc1cccs1)c2ccccc2 271570a_100102527694_100011215356 [0,0,0,0,1,0|2,0,1]=4 4204 B14R2.101 C(=Cc1cccs1)c2cccnc2 271570a_100102525586_100011215356 [0,0,0,0,1,0|2,0,1]=4 4205 B14R2.101 C(=Cc1ccoc1)c2ccccc2 271570a_100102527694_100011215275 [0,0,0,0,1,0|2,0,1]=4 4206 B14R2.101 C(=Cc1ccoc1)c2cccnc2 271570a_100102525586_100011215275 [0,0,0,0,1,0|2,0,1]=4 4207 B14R2.101 C(=Cc1ccsc1)c2ccccc2 271570a_100102527694_100000738268 [0,0,0,0,1,0|2,0,1]=4 4208 B14R2.101 C(=Cc1ccsc1)c2cccnc2 271570a_100102525586_100000738268 [0,0,0,0,1,0|2,0,1]=4 4209 B14R2.101 C(=Cc1ccsn1)c2ccccc2 271570a_100102527694_100009818082 [0,0,0,0,1,0|2,0,1]=4 4210 B14R2.101 C(=Cc1cn[nH]c1)c2ccccc2 271570a_100102527694_100000238712 [0,0,0,0,1,0|2,0,1]=4 4211 B14R2.101 C(=Cc1cnco1)c2ccccc2 271570a_100102527694_100020591547 [0,0,0,0,1,0|2,0,1]=4 4212 B14R2.101 C(=Cc1cncs1)c2ccccc2 271570a_100102527694_100011934649 [0,0,0,0,1,0|2,0,1]=4 4213 B14R2.101 C(=Cc1cnoc1)c2ccccc2 271570a_100102527694_100009815712 [0,0,0,0,1,0|2,0,1]=4 4214 B14R2.101 C(=Cc1cnsc1)c2ccccc2 271570a_100102527694_100009815736 [0,0,0,0,1,0|2,0,1]=4 4215 B14R2.101 C(=Cc1cscn1)c2ccccc2 271570a_100102527694_100000751502 [0,0,0,0,1,0|2,0,1]=4 4216 B14R2.101 C(=Cc1ncc[nH]1)c2ccccc2 271570a_100102527694_100025796157 [0,0,0,0,1,0|2,0,1]=4 4217 B14R2.101 C(=Cc1ncco1)c2ccccc2 271570a_100102527694_100011787736 [0,0,0,0,1,0|2,0,1]=4 4218 B14R2.101 C(=Cc1nccs1)c2ccccc2 271570a_100102527694_100000211983 [0,0,0,0,1,0|2,0,1]=4 4219 B14R2.101 C1=CC(=NNc2ccccc2)CC1 4a_100015195140_100000239507 [0,0,0,0,1,0|1,0,2]=4 4220 B14R2.101 C1=CCC(=NNc2ccccc2)C1 4a_100015195140_100000766571 [0,0,0,0,1,0|1,0,2]=4 4221 B14R2.101 C1=CCC(C1)NCc2cccnc2 207a_100015188752_100000209961 [0,0,0,0,1,0|0,0,3]=4 4222 B14R2.101 C1=CCC(C1)NCc2cccnc2 2230a_100015188752_100000741622 [0,0,0,0,1,0|0,0,3]=4 4223 B14R2.101 C1=CCC(C1)NCc2cccnc2 270004a_100015188752_100000209961 [0,0,0,0,1,0|0,0,3]=4 4224 B14R2.101 c1cc(ccn1)OCc2c[nH]cn2 34a_100000212176_100000707719 [0,0,0,0,1,0|3,0,0]=4 4225 B14R2.101 c1cc(ccn1)OCc2ccn[nH]2 34a_100000212176_100000728653 [0,0,0,0,1,0|3,0,0]=4 4226 B14R2.101 c1cc(ccn1)OCc2ccon2 34a_100000212176_100000234950 [0,0,0,0,1,0|3,0,0]=4 4227 B14R2.101 c1cc(ccn1)OCc2ccsc2 34a_100000212176_100011261437 [0,0,0,0,1,0|3,0,0]=4 4228 B14R2.101 c1cc(ccn1)OCc2cncs2 34a_100000212176_100015185245 [0,0,0,0,1,0|3,0,0]=4 4229 B14R2.101 c1cc(ccn1)OCc2cscn2 34a_100000212176_100000205941 [0,0,0,0,1,0|3,0,0]=4 4230 B14R2.101 c1cc(ccn1)OCc2ncc[nH]2 34a_100000212176_100016991755 [0,0,0,0,1,0|3,0,0]=4 4231 B14R2.101 c1cc(ccn1)OCc2ncco2 34a_100000212176_103436540062 [0,0,0,0,1,0|3,0,0]=4 4232 B14R2.101 c1cc(ccn1)OCc2nccs2 34a_100000212176_100015184050 [0,0,0,0,1,0|3,0,0]=4 4233 B14R2.101 c1cc(ccn1)SCc2c[nH]cn2 62a_100000707719_100000728582 [0,0,0,0,1,0|3,0,0]=4 4234 B14R2.101 c1cc(ccn1)SCc2c[nH]cn2 62a_100000728582_100000707719 [0,0,0,0,1,0|3,0,0]=4 4235 B14R2.101 c1cc(ccn1)SCc2ccn[nH]2 62a_100000728582_100000728653 [0,0,0,0,1,0|3,0,0]=4 4236 B14R2.101 c1cc(ccn1)SCc2ccn[nH]2 62a_100000728653_100000728582 [0,0,0,0,1,0|3,0,0]=4 4237 B14R2.101 c1cc(ccn1)SCc2ccon2 62a_100000234950_100000728582 [0,0,0,0,1,0|3,0,0]=4 4238 B14R2.101 c1cc(ccn1)SCc2ccon2 62a_100000728582_100000234950 [0,0,0,0,1,0|3,0,0]=4 4239 B14R2.101 c1cc(ccn1)SCc2ccsc2 62a_100000728582_100011233845 [0,0,0,0,1,0|3,0,0]=4 4240 B14R2.101 c1cc(ccn1)SCc2ccsc2 62a_100011261437_100000728582 [0,0,0,0,1,0|3,0,0]=4 4241 B14R2.101 c1cc(ccn1)SCc2cncs2 62a_100000728582_100015185245 [0,0,0,0,1,0|3,0,0]=4 4242 B14R2.101 c1cc(ccn1)SCc2cncs2 62a_100015185245_100000728582 [0,0,0,0,1,0|3,0,0]=4 4243 B14R2.101 c1cc(ccn1)SCc2cscn2 62a_100000205941_100000728582 [0,0,0,0,1,0|3,0,0]=4 4244 B14R2.101 c1cc(ccn1)SCc2cscn2 62a_100000728582_100000205941 [0,0,0,0,1,0|3,0,0]=4 4245 B14R2.101 c1cc(ccn1)SCc2ncc[nH]2 62a_100000728582_100016991755 [0,0,0,0,1,0|3,0,0]=4 4246 B14R2.101 c1cc(ccn1)SCc2ncc[nH]2 62a_100016991755_100000728582 [0,0,0,0,1,0|3,0,0]=4 4247 B14R2.101 c1cc(ccn1)SCc2ncco2 62a_100000728582_103436540062 [0,0,0,0,1,0|3,0,0]=4 4248 B14R2.101 c1cc(ccn1)SCc2ncco2 62a_103436540062_100000728582 [0,0,0,0,1,0|3,0,0]=4 4249 B14R2.101 c1cc(ccn1)SCc2nccs2 62a_100000728582_100015184050 [0,0,0,0,1,0|3,0,0]=4 4250 B14R2.101 c1cc(ccn1)SCc2nccs2 62a_100015184050_100000728582 [0,0,0,0,1,0|3,0,0]=4 4251 B14R2.101 c1cc(ncn1)NCc2c[nH]cn2 27a_100000758547_100000703185 [0,0,0,0,1,0|3,0,0]=4 4252 B14R2.101 c1cc(ncn1)NCc2cc[nH]n2 27a_100000739516_100000703185 [0,0,0,0,1,0|3,0,0]=4 4253 B14R2.101 c1cc(ncn1)NCc2ccoc2 27a_100015206860_100000703185 [0,0,0,0,1,0|3,0,0]=4 4254 B14R2.101 c1cc(ncn1)NCc2ccon2 27a_100000688301_100000703185 [0,0,0,0,1,0|3,0,0]=4 4255 B14R2.101 c1cc(ncn1)NCc2ccsc2 27a_100000186416_100000703185 [0,0,0,0,1,0|3,0,0]=4 4256 B14R2.101 c1cc(ncn1)NCc2cn[nH]c2 27a_100000737208_100000703185 [0,0,0,0,1,0|3,0,0]=4 4257 B14R2.101 c1cc(ncn1)NCc2cnco2 27a_100020634212_100000703185 [0,0,0,0,1,0|3,0,0]=4 4258 B14R2.101 c1cc(ncn1)NCc2cncs2 27a_100016987365_100000703185 [0,0,0,0,1,0|3,0,0]=4 4259 B14R2.101 c1cc(ncn1)NCc2cocn2 27a_100015188801_100000703185 [0,0,0,0,1,0|3,0,0]=4 4260 B14R2.101 c1cc(ncn1)NCc2cscn2 27a_100015185402_100000703185 [0,0,0,0,1,0|3,0,0]=4 4261 B14R2.101 c1cc(ncn1)NCc2ncc[nH]2 27a_100000754540_100000703185 [0,0,0,0,1,0|3,0,0]=4 4262 B14R2.101 c1cc(ncn1)NCc2ncco2 27a_100016994969_100000703185 [0,0,0,0,1,0|3,0,0]=4 4263 B14R2.101 c1cc(ncn1)NCc2nccs2 27a_100000740555_100000703185 [0,0,0,0,1,0|3,0,0]=4 4264 B14R2.101 c1ccc(cc1)COc2ccsc2 34a_100000106738_100015291786 [0,0,0,0,1,0|3,0,0]=4 4265 B14R2.101 c1ccc(cc1)COc2ccsc2 7a_100000106738_100000211182 [0,0,0,0,1,0|3,0,0]=4 4266 B14R2.101 c1ccc(cc1)CSc2c[nH]cn2 62a_100000211182_100000756875 [0,0,0,0,1,0|3,0,0]=4 4267 B14R2.101 c1ccc(cc1)CSc2c[nH]cn2 62a_100000756875_100015291786 [0,0,0,0,1,0|3,0,0]=4 4268 B14R2.101 c1ccc(cc1)CSc2cc[nH]n2 62a_100000062575_100015291786 [0,0,0,0,1,0|3,0,0]=4 4269 B14R2.101 c1ccc(cc1)CSc2cc[nH]n2 62a_100000211182_100000062575 [0,0,0,0,1,0|3,0,0]=4 4270 B14R2.101 c1ccc(cc1)CSc2ccco2 62a_100000211182_100009814098 [0,0,0,0,1,0|3,0,0]=4 4271 B14R2.101 c1ccc(cc1)CSc2ccco2 62a_100009814098_100015291786 [0,0,0,0,1,0|3,0,0]=4 4272 B14R2.101 c1ccc(cc1)CSc2cccs2 62a_100000211182_100011215356 [0,0,0,0,1,0|3,0,0]=4 4273 B14R2.101 c1ccc(cc1)CSc2cccs2 62a_100011215356_100015291786 [0,0,0,0,1,0|3,0,0]=4 4274 B14R2.101 c1ccc(cc1)CSc2ccoc2 62a_100000211182_100011215275 [0,0,0,0,1,0|3,0,0]=4 4275 B14R2.101 c1ccc(cc1)CSc2ccoc2 62a_100011215275_100015291786 [0,0,0,0,1,0|3,0,0]=4 4276 B14R2.101 c1ccc(cc1)CSc2ccon2 62a_100000211182_100009818083 [0,0,0,0,1,0|3,0,0]=4 4277 B14R2.101 c1ccc(cc1)CSc2ccon2 62a_100009818083_100015291786 [0,0,0,0,1,0|3,0,0]=4 4278 B14R2.101 c1ccc(cc1)CSc2ccsc2 62a_100000211182_100000738268 [0,0,0,0,1,0|3,0,0]=4 4279 B14R2.101 c1ccc(cc1)CSc2ccsc2 62a_100000738268_100015291786 [0,0,0,0,1,0|3,0,0]=4 4280 B14R2.101 c1ccc(cc1)CSc2ccsn2 62a_100000211182_100009818082 [0,0,0,0,1,0|3,0,0]=4 4281 B14R2.101 c1ccc(cc1)CSc2ccsn2 62a_100009818082_100015291786 [0,0,0,0,1,0|3,0,0]=4 4282 B14R2.101 c1ccc(cc1)CSc2cn[nH]c2 62a_100000211182_100000238712 [0,0,0,0,1,0|3,0,0]=4 4283 B14R2.101 c1ccc(cc1)CSc2cn[nH]c2 62a_100000238712_100015291786 [0,0,0,0,1,0|3,0,0]=4 4284 B14R2.101 c1ccc(cc1)CSc2cnco2 62a_100000211182_100020591547 [0,0,0,0,1,0|3,0,0]=4 4285 B14R2.101 c1ccc(cc1)CSc2cnco2 62a_100020591547_100015291786 [0,0,0,0,1,0|3,0,0]=4 4286 B14R2.101 c1ccc(cc1)CSc2cncs2 62a_100000211182_100011934649 [0,0,0,0,1,0|3,0,0]=4 4287 B14R2.101 c1ccc(cc1)CSc2cncs2 62a_100011934649_100015291786 [0,0,0,0,1,0|3,0,0]=4 4288 B14R2.101 c1ccc(cc1)CSc2cnoc2 62a_100000211182_100009815712 [0,0,0,0,1,0|3,0,0]=4 4289 B14R2.101 c1ccc(cc1)CSc2cnoc2 62a_100009815712_100015291786 [0,0,0,0,1,0|3,0,0]=4 4290 B14R2.101 c1ccc(cc1)CSc2cnsc2 62a_100000211182_100009815736 [0,0,0,0,1,0|3,0,0]=4 4291 B14R2.101 c1ccc(cc1)CSc2cnsc2 62a_100009815736_100015291786 [0,0,0,0,1,0|3,0,0]=4 4292 B14R2.101 c1ccc(cc1)CSc2cscn2 62a_100000211182_100000751502 [0,0,0,0,1,0|3,0,0]=4 4293 B14R2.101 c1ccc(cc1)CSc2cscn2 62a_100000751502_100015291786 [0,0,0,0,1,0|3,0,0]=4 4294 B14R2.101 c1ccc(cc1)CSc2ncc[nH]2 62a_100000211182_100025796157 [0,0,0,0,1,0|3,0,0]=4 4295 B14R2.101 c1ccc(cc1)CSc2ncc[nH]2 62a_100025796157_100015291786 [0,0,0,0,1,0|3,0,0]=4 4296 B14R2.101 c1ccc(cc1)CSc2ncco2 62a_100000211182_100011787736 [0,0,0,0,1,0|3,0,0]=4 4297 B14R2.101 c1ccc(cc1)CSc2ncco2 62a_100011787736_100015291786 [0,0,0,0,1,0|3,0,0]=4 4298 B14R2.101 c1ccc(cc1)CSc2nccs2 62a_100000211182_100000211983 [0,0,0,0,1,0|3,0,0]=4 4299 B14R2.101 c1ccc(cc1)CSc2nccs2 62a_100000211983_100015291786 [0,0,0,0,1,0|3,0,0]=4 4300 B14R2.101 c1ccc(cc1)NCC2=NCCN2 34a_100000106764_100000737910 [0,0,0,0,1,0|1,0,2]=4 4301 B14R2.101 c1ccc(cc1)NCc2c[nH]cn2 34a_100000106764_100000707719 [0,0,0,0,1,0|1,0,0]=2 4302 B14R2.101 c1ccc(cc1)NCc2cc[nH]n2 207a_100000106764_100000738523 [0,0,0,0,1,0|1,0,0]=2 4303 B14R2.101 c1ccc(cc1)NCc2ccco2 207a_100000106764_100000186105 [0,0,0,0,1,0|1,0,0]=2 4304 B14R2.101 c1ccc(cc1)NCc2ccco2 270302a_100000106764_100000186105 [0,0,0,0,1,0|1,0,0]=2 4305 B14R2.101 c1ccc(cc1)NCc2cccs2 207a_100000106764_100000209959 [0,0,0,0,1,0|1,0,0]=2 4306 B14R2.101 c1ccc(cc1)NCc2cccs2 270302a_100000106764_100000209959 [0,0,0,0,1,0|1,0,0]=2 4307 B14R2.101 c1ccc(cc1)NCc2ccn[nH]2 34a_100000106764_100000728653 [0,0,0,0,1,0|1,0,0]=2 4308 B14R2.101 c1ccc(cc1)NCc2ccoc2 207a_100000106764_100011215517 [0,0,0,0,1,0|1,0,0]=2 4309 B14R2.101 c1ccc(cc1)NCc2ccon2 34a_100000106764_100000234950 [0,0,0,0,1,0|1,0,0]=2 4310 B14R2.101 c1ccc(cc1)NCc2ccsc2 207a_100000106764_100000188534 [0,0,0,0,1,0|1,0,0]=2 4311 B14R2.101 c1ccc(cc1)NCc2ccsc2 270302a_100000106764_100000188534 [0,0,0,0,1,0|1,0,0]=2 4312 B14R2.101 c1ccc(cc1)NCc2ccsc2 34a_100000106764_100011261437 [0,0,0,0,1,0|1,0,0]=2 4313 B14R2.101 c1ccc(cc1)NCc2cn[nH]c2 207a_100000106764_100016992096 [0,0,0,0,1,0|1,0,0]=2 4314 B14R2.101 c1ccc(cc1)NCc2cn[nH]c2 270302a_100000106764_100016992096 [0,0,0,0,1,0|1,0,0]=2 4315 B14R2.101 c1ccc(cc1)NCc2cnc[nH]2 207a_100000106764_100000742939 [0,0,0,0,1,0|1,0,0]=2 4316 B14R2.101 c1ccc(cc1)NCc2cncs2 207a_100000106764_100000749870 [0,0,0,0,1,0|1,0,0]=2 4317 B14R2.101 c1ccc(cc1)NCc2cncs2 270302a_100000106764_100000749870 [0,0,0,0,1,0|1,0,0]=2 4318 B14R2.101 c1ccc(cc1)NCc2cncs2 34a_100000106764_100015185245 [0,0,0,0,1,0|1,0,0]=2 4319 B14R2.101 c1ccc(cc1)NCc2cscn2 207a_100000106764_100000743575 [0,0,0,0,1,0|1,0,0]=2 4320 B14R2.101 c1ccc(cc1)NCc2cscn2 270302a_100000106764_100000743575 [0,0,0,0,1,0|1,0,0]=2 4321 B14R2.101 c1ccc(cc1)NCc2cscn2 34a_100000106764_100000205941 [0,0,0,0,1,0|1,0,0]=2 4322 B14R2.101 c1ccc(cc1)NCc2ncc[nH]2 207a_100000106764_100000743867 [0,0,0,0,1,0|1,0,0]=2 4323 B14R2.101 c1ccc(cc1)NCc2ncc[nH]2 34a_100000106764_100016991755 [0,0,0,0,1,0|1,0,0]=2 4324 B14R2.101 c1ccc(cc1)NCc2ncco2 34a_100000106764_103436540062 [0,0,0,0,1,0|1,0,0]=2 4325 B14R2.101 c1ccc(cc1)NCc2nccs2 207a_100000106764_100000750902 [0,0,0,0,1,0|1,0,0]=2 4326 B14R2.101 c1ccc(cc1)NCc2nccs2 270302a_100000106764_100000750902 [0,0,0,0,1,0|1,0,0]=2 4327 B14R2.101 c1ccc(cc1)NCc2nccs2 34a_100000106764_100015184050 [0,0,0,0,1,0|1,0,0]=2 4328 B14R2.101 c1ccc(cc1)NCc2ncon2 34a_100000106764_100000233494 [0,0,0,0,1,0|2,0,0]=3 4329 B14R2.101 c1ccc(cc1)NCc2nnn[nH]2 34a_100000106764_100000765167 [0,0,0,0,1,0|3,0,0]=4 4330 B14R2.101 c1ccc(cc1)NCn2cncn2 34a_100000106764_200020645497 [0,0,0,0,1,0|2,0,0]=3 4331 B14R2.101 c1ccc(cc1)OCc2c[nH]cn2 34a_100000210340_100000707719 [0,0,0,0,1,0|2,0,0]=3 4332 B14R2.101 c1ccc(cc1)OCc2ccn[nH]2 34a_100000210340_100000728653 [0,0,0,0,1,0|2,0,0]=3 4333 B14R2.101 c1ccc(cc1)OCc2ccn[nH]2 7a_100000210340_100000728653 [0,0,0,0,1,0|2,0,0]=3 4334 B14R2.101 c1ccc(cc1)OCc2ccon2 34a_100000210340_100000234950 [0,0,0,0,1,0|2,0,0]=3 4335 B14R2.101 c1ccc(cc1)OCc2ccon2 7a_100000210340_100000234950 [0,0,0,0,1,0|2,0,0]=3 4336 B14R2.101 c1ccc(cc1)OCc2ccsc2 34a_100000210340_100011261437 [0,0,0,0,1,0|2,0,0]=3 4337 B14R2.101 c1ccc(cc1)OCc2ccsc2 7a_100000210340_100011261437 [0,0,0,0,1,0|2,0,0]=3 4338 B14R2.101 c1ccc(cc1)OCc2cncs2 34a_100000210340_100015185245 [0,0,0,0,1,0|2,0,0]=3 4339 B14R2.101 c1ccc(cc1)OCc2cncs2 7a_100000210340_100015185245 [0,0,0,0,1,0|2,0,0]=3 4340 B14R2.101 c1ccc(cc1)OCc2cscn2 34a_100000210340_100000205941 [0,0,0,0,1,0|2,0,0]=3 4341 B14R2.101 c1ccc(cc1)OCc2cscn2 7a_100000210340_100000205941 [0,0,0,0,1,0|2,0,0]=3 4342 B14R2.101 c1ccc(cc1)OCc2ncc[nH]2 34a_100000210340_100016991755 [0,0,0,0,1,0|2,0,0]=3 4343 B14R2.101 c1ccc(cc1)OCc2ncc[nH]2 7a_100000210340_100000753453 [0,0,0,0,1,0|2,0,0]=3 4344 B14R2.101 c1ccc(cc1)OCc2ncco2 34a_100000210340_103436540062 [0,0,0,0,1,0|2,0,0]=3 4345 B14R2.101 c1ccc(cc1)OCc2ncco2 7a_100000210340_103436540062 [0,0,0,0,1,0|2,0,0]=3 4346 B14R2.101 c1ccc(cc1)OCc2nccs2 34a_100000210340_100015184050 [0,0,0,0,1,0|2,0,0]=3 4347 B14R2.101 c1ccc(cc1)OCc2nccs2 7a_100000210340_100015184050 [0,0,0,0,1,0|2,0,0]=3 4348 B14R2.101 c1ccc(cc1)OCc2ncon2 34a_100000210340_100000233494 [0,0,0,0,1,0|3,0,0]=4 4349 B14R2.101 c1ccc(cc1)OCn2cncn2 34a_100000210340_200020645497 [0,0,0,0,1,0|3,0,0]=4 4350 B14R2.101 c1ccc(cc1)OCn2cncn2 7a_100000210340_200020645497 [0,0,0,0,1,0|3,0,0]=4 4351 B14R2.101 c1ccc(cc1)SCc2c[nH]cn2 62a_100000707719_100000041952 [0,0,0,0,1,0|2,0,0]=3 4352 B14R2.101 c1ccc(cc1)SCc2c[nH]cn2 62a_100000719477_100000707719 [0,0,0,0,1,0|2,0,0]=3 4353 B14R2.101 c1ccc(cc1)SCc2ccn[nH]2 62a_100000719477_100000728653 [0,0,0,0,1,0|2,0,0]=3 4354 B14R2.101 c1ccc(cc1)SCc2ccn[nH]2 62a_100000728653_100000041952 [0,0,0,0,1,0|2,0,0]=3 4355 B14R2.101 c1ccc(cc1)SCc2ccon2 62a_100000234950_100000041952 [0,0,0,0,1,0|2,0,0]=3 4356 B14R2.101 c1ccc(cc1)SCc2ccon2 62a_100000719477_100000234950 [0,0,0,0,1,0|2,0,0]=3 4357 B14R2.101 c1ccc(cc1)SCc2ccsc2 62a_100000719477_100011233845 [0,0,0,0,1,0|2,0,0]=3 4358 B14R2.101 c1ccc(cc1)SCc2ccsc2 62a_100011261437_100000041952 [0,0,0,0,1,0|2,0,0]=3 4359 B14R2.101 c1ccc(cc1)SCc2cncs2 62a_100000719477_100015185245 [0,0,0,0,1,0|2,0,0]=3 4360 B14R2.101 c1ccc(cc1)SCc2cncs2 62a_100015185245_100000041952 [0,0,0,0,1,0|2,0,0]=3 4361 B14R2.101 c1ccc(cc1)SCc2cscn2 62a_100000205941_100000041952 [0,0,0,0,1,0|2,0,0]=3 4362 B14R2.101 c1ccc(cc1)SCc2cscn2 62a_100000719477_100000205941 [0,0,0,0,1,0|2,0,0]=3 4363 B14R2.101 c1ccc(cc1)SCc2ncc[nH]2 62a_100000719477_100016991755 [0,0,0,0,1,0|2,0,0]=3 4364 B14R2.101 c1ccc(cc1)SCc2ncc[nH]2 62a_100016991755_100000041952 [0,0,0,0,1,0|2,0,0]=3 4365 B14R2.101 c1ccc(cc1)SCc2ncco2 62a_100000719477_103436540062 [0,0,0,0,1,0|2,0,0]=3 4366 B14R2.101 c1ccc(cc1)SCc2ncco2 62a_103436540062_100000041952 [0,0,0,0,1,0|2,0,0]=3 4367 B14R2.101 c1ccc(cc1)SCc2nccs2 62a_100000719477_100015184050 [0,0,0,0,1,0|2,0,0]=3 4368 B14R2.101 c1ccc(cc1)SCc2nccs2 62a_100015184050_100000041952 [0,0,0,0,1,0|2,0,0]=3 4369 B14R2.101 c1ccc(cc1)SCc2ncon2 62a_100000233494_100000041952 [0,0,0,0,1,0|3,0,0]=4 4370 B14R2.101 c1ccc(cc1)SCc2ncon2 62a_100000719477_100000233494 [0,0,0,0,1,0|3,0,0]=4 4371 B14R2.101 c1ccc(cc1)SCn2cncn2 62a_100000719477_200020645497 [0,0,0,0,1,0|3,0,0]=4 4372 B14R2.101 c1ccc(cc1)SCn2cncn2 62a_200020645497_100000041952 [0,0,0,0,1,0|3,0,0]=4 4373 B14R2.101 c1ccc(nc1)SCc2c[nH]cn2 62a_100000707719_100011216584 [0,0,0,0,1,0|3,0,0]=4 4374 B14R2.101 c1ccc(nc1)SCc2c[nH]cn2 62a_100011216584_100000707719 [0,0,0,0,1,0|3,0,0]=4 4375 B14R2.101 c1ccc(nc1)SCc2ccn[nH]2 62a_100000728653_100011216584 [0,0,0,0,1,0|3,0,0]=4 4376 B14R2.101 c1ccc(nc1)SCc2ccn[nH]2 62a_100011216584_100000728653 [0,0,0,0,1,0|3,0,0]=4 4377 B14R2.101 c1ccc(nc1)SCc2ccon2 62a_100000234950_100011216584 [0,0,0,0,1,0|3,0,0]=4 4378 B14R2.101 c1ccc(nc1)SCc2ccon2 62a_100011216584_100000234950 [0,0,0,0,1,0|3,0,0]=4 4379 B14R2.101 c1ccc(nc1)SCc2ccsc2 62a_100011216584_100011233845 [0,0,0,0,1,0|3,0,0]=4 4380 B14R2.101 c1ccc(nc1)SCc2ccsc2 62a_100011261437_100011216584 [0,0,0,0,1,0|3,0,0]=4 4381 B14R2.101 c1ccc(nc1)SCc2cncs2 62a_100011216584_100015185245 [0,0,0,0,1,0|3,0,0]=4 4382 B14R2.101 c1ccc(nc1)SCc2cncs2 62a_100015185245_100011216584 [0,0,0,0,1,0|3,0,0]=4 4383 B14R2.101 c1ccc(nc1)SCc2cscn2 62a_100000205941_100011216584 [0,0,0,0,1,0|3,0,0]=4 4384 B14R2.101 c1ccc(nc1)SCc2cscn2 62a_100011216584_100000205941 [0,0,0,0,1,0|3,0,0]=4 4385 B14R2.101 c1ccc(nc1)SCc2ncc[nH]2 62a_100011216584_100016991755 [0,0,0,0,1,0|3,0,0]=4 4386 B14R2.101 c1ccc(nc1)SCc2ncc[nH]2 62a_100016991755_100011216584 [0,0,0,0,1,0|3,0,0]=4 4387 B14R2.101 c1ccc(nc1)SCc2ncco2 62a_100011216584_103436540062 [0,0,0,0,1,0|3,0,0]=4 4388 B14R2.101 c1ccc(nc1)SCc2ncco2 62a_103436540062_100011216584 [0,0,0,0,1,0|3,0,0]=4 4389 B14R2.101 c1ccc(nc1)SCc2nccs2 62a_100011216584_100015184050 [0,0,0,0,1,0|3,0,0]=4 4390 B14R2.101 c1ccc(nc1)SCc2nccs2 62a_100015184050_100011216584 [0,0,0,0,1,0|3,0,0]=4 4391 B14R2.101 c1cnc(cn1)COc2ccsc2 34a_100000106738_100016995436 [0,0,0,0,1,0|3,0,0]=4 4392 B14R2.101 c1cnc(cn1)COc2ccsc2 7a_100000106738_100016995436 [0,0,0,0,1,0|3,0,0]=4 4393 B14R2.101 c1cnc(cn1)CSc2ccoc2 62a_100011215275_100016995436 [0,0,0,0,1,0|3,0,0]=4 4394 B14R2.101 c1cnc(cn1)CSc2ccoc2 62a_100016995436_100011215275 [0,0,0,0,1,0|3,0,0]=4 4395 B14R2.101 c1cnc(cn1)CSc2ccsc2 62a_100000738268_100016995436 [0,0,0,0,1,0|3,0,0]=4 4396 B14R2.101 c1cnc(cn1)CSc2ccsc2 62a_100016995436_100000738268 [0,0,0,0,1,0|3,0,0]=4 4397 B14R2.101 c1cnc(cn1)NCc2c[nH]cn2 27a_100000758547_100000211759 [0,0,0,0,1,0|3,0,0]=4 4398 B14R2.101 c1cnc(cn1)NCc2cc[nH]n2 27a_100000739516_100000211759 [0,0,0,0,1,0|3,0,0]=4 4399 B14R2.101 c1cnc(cn1)NCc2ccoc2 27a_100015206860_100000211759 [0,0,0,0,1,0|3,0,0]=4 4400 B14R2.101 c1cnc(cn1)NCc2ccon2 27a_100000688301_100000211759 [0,0,0,0,1,0|3,0,0]=4 4401 B14R2.101 c1cnc(cn1)NCc2ccsc2 27a_100000186416_100000211759 [0,0,0,0,1,0|3,0,0]=4 4402 B14R2.101 c1cnc(cn1)NCc2cn[nH]c2 27a_100000737208_100000211759 [0,0,0,0,1,0|3,0,0]=4 4403 B14R2.101 c1cnc(cn1)NCc2cnco2 27a_100020634212_100000211759 [0,0,0,0,1,0|3,0,0]=4 4404 B14R2.101 c1cnc(cn1)NCc2cncs2 27a_100016987365_100000211759 [0,0,0,0,1,0|3,0,0]=4 4405 B14R2.101 c1cnc(cn1)NCc2cocn2 27a_100015188801_100000211759 [0,0,0,0,1,0|3,0,0]=4 4406 B14R2.101 c1cnc(cn1)NCc2cscn2 27a_100015185402_100000211759 [0,0,0,0,1,0|3,0,0]=4 4407 B14R2.101 c1cnc(cn1)NCc2ncc[nH]2 27a_100000754540_100000211759 [0,0,0,0,1,0|3,0,0]=4 4408 B14R2.101 c1cnc(cn1)NCc2ncco2 27a_100016994969_100000211759 [0,0,0,0,1,0|3,0,0]=4 4409 B14R2.101 c1cnc(cn1)NCc2nccs2 27a_100000740555_100000211759 [0,0,0,0,1,0|3,0,0]=4 4410 B14R2.101 c1cnc(nc1)NCc2c[nH]cn2 27a_100000758547_100000211032 [0,0,0,0,1,0|3,0,0]=4 4411 B14R2.101 c1cnc(nc1)NCc2cc[nH]n2 27a_100000739516_100000211032 [0,0,0,0,1,0|3,0,0]=4 4412 B14R2.101 c1cnc(nc1)NCc2ccco2 27a_100000185738_100000211032 [0,0,0,0,1,0|3,0,0]=4 4413 B14R2.101 c1cnc(nc1)NCc2cccs2 27a_100000211653_100000211032 [0,0,0,0,1,0|3,0,0]=4 4414 B14R2.101 c1cnc(nc1)NCc2ccoc2 27a_100015206860_100000211032 [0,0,0,0,1,0|3,0,0]=4 4415 B14R2.101 c1cnc(nc1)NCc2ccon2 27a_100000688301_100000211032 [0,0,0,0,1,0|3,0,0]=4 4416 B14R2.101 c1cnc(nc1)NCc2ccsc2 27a_100000186416_100000211032 [0,0,0,0,1,0|3,0,0]=4 4417 B14R2.101 c1cnc(nc1)NCc2cn[nH]c2 27a_100000737208_100000211032 [0,0,0,0,1,0|3,0,0]=4 4418 B14R2.101 c1cnc(nc1)NCc2cnco2 27a_100020634212_100000211032 [0,0,0,0,1,0|3,0,0]=4 4419 B14R2.101 c1cnc(nc1)NCc2cncs2 27a_100016987365_100000211032 [0,0,0,0,1,0|3,0,0]=4 4420 B14R2.101 c1cnc(nc1)NCc2cocn2 27a_100015188801_100000211032 [0,0,0,0,1,0|3,0,0]=4 4421 B14R2.101 c1cnc(nc1)NCc2cscn2 27a_100015185402_100000211032 [0,0,0,0,1,0|3,0,0]=4 4422 B14R2.101 c1cnc(nc1)NCc2ncc[nH]2 27a_100000754540_100000211032 [0,0,0,0,1,0|3,0,0]=4 4423 B14R2.101 c1cnc(nc1)NCc2ncco2 27a_100016994969_100000211032 [0,0,0,0,1,0|3,0,0]=4 4424 B14R2.101 c1cnc(nc1)NCc2nccs2 27a_100000740555_100000211032 [0,0,0,0,1,0|3,0,0]=4 4425 B14R2.101 c1cncc(c1)CNc2ncns2 27a_100000210453_100000693119 [0,0,0,0,1,0|3,0,0]=4 4426 B14R2.101 c1cncc(c1)CNc2nncs2 27a_100000210453_100000739804 [0,0,0,0,1,0|3,0,0]=4 4427 B14R2.101 c1cncc(c1)COc2ccsc2 34a_100000106738_100000733263 [0,0,0,0,1,0|2,0,0]=3 4428 B14R2.101 c1cncc(c1)COc2ccsc2 7a_100000106738_100000741622 [0,0,0,0,1,0|2,0,0]=3 4429 B14R2.101 c1cncc(c1)CSc2c[nH]cn2 62a_100000741622_100000756875 [0,0,0,0,1,0|3,0,0]=4 4430 B14R2.101 c1cncc(c1)CSc2c[nH]cn2 62a_100000756875_100000741622 [0,0,0,0,1,0|3,0,0]=4 4431 B14R2.101 c1cncc(c1)CSc2cc[nH]n2 62a_100000062575_100000741622 [0,0,0,0,1,0|3,0,0]=4 4432 B14R2.101 c1cncc(c1)CSc2cc[nH]n2 62a_100000741622_100000062575 [0,0,0,0,1,0|3,0,0]=4 4433 B14R2.101 c1cncc(c1)CSc2ccco2 62a_100000741622_100009814098 [0,0,0,0,1,0|2,0,0]=3 4434 B14R2.101 c1cncc(c1)CSc2ccco2 62a_100009814098_100000741622 [0,0,0,0,1,0|2,0,0]=3 4435 B14R2.101 c1cncc(c1)CSc2cccs2 62a_100000741622_100011215356 [0,0,0,0,1,0|2,0,0]=3 4436 B14R2.101 c1cncc(c1)CSc2cccs2 62a_100011215356_100000741622 [0,0,0,0,1,0|2,0,0]=3 4437 B14R2.101 c1cncc(c1)CSc2ccoc2 62a_100000741622_100011215275 [0,0,0,0,1,0|2,0,0]=3 4438 B14R2.101 c1cncc(c1)CSc2ccoc2 62a_100011215275_100000741622 [0,0,0,0,1,0|2,0,0]=3 4439 B14R2.101 c1cncc(c1)CSc2ccon2 62a_100000741622_100009818083 [0,0,0,0,1,0|3,0,0]=4 4440 B14R2.101 c1cncc(c1)CSc2ccon2 62a_100009818083_100000741622 [0,0,0,0,1,0|3,0,0]=4 4441 B14R2.101 c1cncc(c1)CSc2ccsc2 62a_100000738268_100000741622 [0,0,0,0,1,0|2,0,0]=3 4442 B14R2.101 c1cncc(c1)CSc2ccsc2 62a_100000741622_100000738268 [0,0,0,0,1,0|2,0,0]=3 4443 B14R2.101 c1cncc(c1)CSc2ccsn2 62a_100000741622_100009818082 [0,0,0,0,1,0|3,0,0]=4 4444 B14R2.101 c1cncc(c1)CSc2ccsn2 62a_100009818082_100000741622 [0,0,0,0,1,0|3,0,0]=4 4445 B14R2.101 c1cncc(c1)CSc2cn[nH]c2 62a_100000238712_100000741622 [0,0,0,0,1,0|3,0,0]=4 4446 B14R2.101 c1cncc(c1)CSc2cn[nH]c2 62a_100000741622_100000238712 [0,0,0,0,1,0|3,0,0]=4 4447 B14R2.101 c1cncc(c1)CSc2cnco2 62a_100000741622_100020591547 [0,0,0,0,1,0|3,0,0]=4 4448 B14R2.101 c1cncc(c1)CSc2cnco2 62a_100020591547_100000741622 [0,0,0,0,1,0|3,0,0]=4 4449 B14R2.101 c1cncc(c1)CSc2cncs2 62a_100000741622_100011934649 [0,0,0,0,1,0|3,0,0]=4 4450 B14R2.101 c1cncc(c1)CSc2cncs2 62a_100011934649_100000741622 [0,0,0,0,1,0|3,0,0]=4 4451 B14R2.101 c1cncc(c1)CSc2cnoc2 62a_100000741622_100009815712 [0,0,0,0,1,0|3,0,0]=4 4452 B14R2.101 c1cncc(c1)CSc2cnoc2 62a_100009815712_100000741622 [0,0,0,0,1,0|3,0,0]=4 4453 B14R2.101 c1cncc(c1)CSc2cnsc2 62a_100000741622_100009815736 [0,0,0,0,1,0|3,0,0]=4 4454 B14R2.101 c1cncc(c1)CSc2cnsc2 62a_100009815736_100000741622 [0,0,0,0,1,0|3,0,0]=4 4455 B14R2.101 c1cncc(c1)CSc2cscn2 62a_100000741622_100000751502 [0,0,0,0,1,0|3,0,0]=4 4456 B14R2.101 c1cncc(c1)CSc2cscn2 62a_100000751502_100000741622 [0,0,0,0,1,0|3,0,0]=4 4457 B14R2.101 c1cncc(c1)CSc2ncc[nH]2 62a_100000741622_100025796157 [0,0,0,0,1,0|3,0,0]=4 4458 B14R2.101 c1cncc(c1)CSc2ncc[nH]2 62a_100025796157_100000741622 [0,0,0,0,1,0|3,0,0]=4 4459 B14R2.101 c1cncc(c1)CSc2ncco2 62a_100000741622_100011787736 [0,0,0,0,1,0|3,0,0]=4 4460 B14R2.101 c1cncc(c1)CSc2ncco2 62a_100011787736_100000741622 [0,0,0,0,1,0|3,0,0]=4 4461 B14R2.101 c1cncc(c1)CSc2nccs2 62a_100000211983_100000741622 [0,0,0,0,1,0|3,0,0]=4 4462 B14R2.101 c1cncc(c1)CSc2nccs2 62a_100000741622_100000211983 [0,0,0,0,1,0|3,0,0]=4 4463 B14R2.101 c1cncc(c1)OCc2c[nH]cn2 34a_100000210849_100000707719 [0,0,0,0,1,0|3,0,0]=4 4464 B14R2.101 c1cncc(c1)OCc2ccn[nH]2 34a_100000210849_100000728653 [0,0,0,0,1,0|3,0,0]=4 4465 B14R2.101 c1cncc(c1)OCc2ccn[nH]2 7a_100000210849_100000728653 [0,0,0,0,1,0|3,0,0]=4 4466 B14R2.101 c1cncc(c1)OCc2ccon2 34a_100000210849_100000234950 [0,0,0,0,1,0|3,0,0]=4 4467 B14R2.101 c1cncc(c1)OCc2ccon2 7a_100000210849_100000234950 [0,0,0,0,1,0|3,0,0]=4 4468 B14R2.101 c1cncc(c1)OCc2ccsc2 34a_100000210849_100011261437 [0,0,0,0,1,0|3,0,0]=4 4469 B14R2.101 c1cncc(c1)OCc2ccsc2 7a_100000210849_100011261437 [0,0,0,0,1,0|3,0,0]=4 4470 B14R2.101 c1cncc(c1)OCc2cncs2 34a_100000210849_100015185245 [0,0,0,0,1,0|3,0,0]=4 4471 B14R2.101 c1cncc(c1)OCc2cncs2 7a_100000210849_100015185245 [0,0,0,0,1,0|3,0,0]=4 4472 B14R2.101 c1cncc(c1)OCc2cscn2 34a_100000210849_100000205941 [0,0,0,0,1,0|3,0,0]=4 4473 B14R2.101 c1cncc(c1)OCc2cscn2 7a_100000210849_100000205941 [0,0,0,0,1,0|3,0,0]=4 4474 B14R2.101 c1cncc(c1)OCc2ncc[nH]2 34a_100000210849_100016991755 [0,0,0,0,1,0|3,0,0]=4 4475 B14R2.101 c1cncc(c1)OCc2ncc[nH]2 7a_100000210849_100000753453 [0,0,0,0,1,0|3,0,0]=4 4476 B14R2.101 c1cncc(c1)OCc2ncco2 34a_100000210849_103436540062 [0,0,0,0,1,0|3,0,0]=4 4477 B14R2.101 c1cncc(c1)OCc2ncco2 7a_100000210849_103436540062 [0,0,0,0,1,0|3,0,0]=4 4478 B14R2.101 c1cncc(c1)OCc2nccs2 34a_100000210849_100015184050 [0,0,0,0,1,0|3,0,0]=4 4479 B14R2.101 c1cncc(c1)OCc2nccs2 7a_100000210849_100015184050 [0,0,0,0,1,0|3,0,0]=4 4480 B14R2.101 c1cncc(c1)SCc2c[nH]cn2 62a_100000210063_100000707719 [0,0,0,0,1,0|3,0,0]=4 4481 B14R2.101 c1cncc(c1)SCc2c[nH]cn2 62a_100000707719_100000210063 [0,0,0,0,1,0|3,0,0]=4 4482 B14R2.101 c1cncc(c1)SCc2ccn[nH]2 62a_100000210063_100000728653 [0,0,0,0,1,0|3,0,0]=4 4483 B14R2.101 c1cncc(c1)SCc2ccn[nH]2 62a_100000728653_100000210063 [0,0,0,0,1,0|3,0,0]=4 4484 B14R2.101 c1cncc(c1)SCc2ccon2 62a_100000210063_100000234950 [0,0,0,0,1,0|3,0,0]=4 4485 B14R2.101 c1cncc(c1)SCc2ccon2 62a_100000234950_100000210063 [0,0,0,0,1,0|3,0,0]=4 4486 B14R2.101 c1cncc(c1)SCc2ccsc2 62a_100000210063_100011233845 [0,0,0,0,1,0|3,0,0]=4 4487 B14R2.101 c1cncc(c1)SCc2ccsc2 62a_100011261437_100000210063 [0,0,0,0,1,0|3,0,0]=4 4488 B14R2.101 c1cncc(c1)SCc2cncs2 62a_100000210063_100015185245 [0,0,0,0,1,0|3,0,0]=4 4489 B14R2.101 c1cncc(c1)SCc2cncs2 62a_100015185245_100000210063 [0,0,0,0,1,0|3,0,0]=4 4490 B14R2.101 c1cncc(c1)SCc2cscn2 62a_100000205941_100000210063 [0,0,0,0,1,0|3,0,0]=4 4491 B14R2.101 c1cncc(c1)SCc2cscn2 62a_100000210063_100000205941 [0,0,0,0,1,0|3,0,0]=4 4492 B14R2.101 c1cncc(c1)SCc2ncc[nH]2 62a_100000210063_100016991755 [0,0,0,0,1,0|3,0,0]=4 4493 B14R2.101 c1cncc(c1)SCc2ncc[nH]2 62a_100016991755_100000210063 [0,0,0,0,1,0|3,0,0]=4 4494 B14R2.101 c1cncc(c1)SCc2ncco2 62a_100000210063_103436540062 [0,0,0,0,1,0|3,0,0]=4 4495 B14R2.101 c1cncc(c1)SCc2ncco2 62a_103436540062_100000210063 [0,0,0,0,1,0|3,0,0]=4 4496 B14R2.101 c1cncc(c1)SCc2nccs2 62a_100000210063_100015184050 [0,0,0,0,1,0|3,0,0]=4 4497 B14R2.101 c1cncc(c1)SCc2nccs2 62a_100015184050_100000210063 [0,0,0,0,1,0|3,0,0]=4 4498 B14R2.101 c1cnnc(c1)COc2ccsc2 34a_100000106738_100016990269 [0,0,0,0,1,0|3,0,0]=4 4499 B14R2.101 c1cnnc(c1)COc2ccsc2 7a_100000106738_100016990269 [0,0,0,0,1,0|3,0,0]=4 4500 B14R2.101 c1cnnc(c1)CSc2ccco2 62a_100009814098_100016990269 [0,0,0,0,1,0|3,0,0]=4 4501 B14R2.101 c1cnnc(c1)CSc2ccco2 62a_100016990269_100009814098 [0,0,0,0,1,0|3,0,0]=4 4502 B14R2.101 c1cnnc(c1)CSc2cccs2 62a_100011215356_100016990269 [0,0,0,0,1,0|3,0,0]=4 4503 B14R2.101 c1cnnc(c1)CSc2cccs2 62a_100016990269_100011215356 [0,0,0,0,1,0|3,0,0]=4 4504 B14R2.101 c1cnnc(c1)CSc2ccoc2 62a_100011215275_100016990269 [0,0,0,0,1,0|3,0,0]=4 4505 B14R2.101 c1cnnc(c1)CSc2ccoc2 62a_100016990269_100011215275 [0,0,0,0,1,0|3,0,0]=4 4506 B14R2.101 c1cnnc(c1)CSc2ccsc2 62a_100000738268_100016990269 [0,0,0,0,1,0|3,0,0]=4 4507 B14R2.101 c1cnnc(c1)CSc2ccsc2 62a_100016990269_100000738268 [0,0,0,0,1,0|3,0,0]=4 4508 B14R2.101 c1cnnc(c1)NCc2c[nH]cn2 27a_100000758547_100016991348 [0,0,0,0,1,0|3,0,0]=4 4509 B14R2.101 c1cnnc(c1)NCc2cc[nH]n2 27a_100000739516_100016991348 [0,0,0,0,1,0|3,0,0]=4 4510 B14R2.101 c1cnnc(c1)NCc2ccco2 27a_100000185738_100016991348 [0,0,0,0,1,0|3,0,0]=4 4511 B14R2.101 c1cnnc(c1)NCc2cccs2 27a_100000211653_100016991348 [0,0,0,0,1,0|3,0,0]=4 4512 B14R2.101 c1cnnc(c1)NCc2ccoc2 27a_100015206860_100016991348 [0,0,0,0,1,0|3,0,0]=4 4513 B14R2.101 c1cnnc(c1)NCc2ccon2 27a_100000688301_100016991348 [0,0,0,0,1,0|3,0,0]=4 4514 B14R2.101 c1cnnc(c1)NCc2ccsc2 27a_100000186416_100016991348 [0,0,0,0,1,0|3,0,0]=4 4515 B14R2.101 c1cnnc(c1)NCc2cn[nH]c2 27a_100000737208_100016991348 [0,0,0,0,1,0|3,0,0]=4 4516 B14R2.101 c1cnnc(c1)NCc2cnco2 27a_100020634212_100016991348 [0,0,0,0,1,0|3,0,0]=4 4517 B14R2.101 c1cnnc(c1)NCc2cncs2 27a_100016987365_100016991348 [0,0,0,0,1,0|3,0,0]=4 4518 B14R2.101 c1cnnc(c1)NCc2cocn2 27a_100015188801_100016991348 [0,0,0,0,1,0|3,0,0]=4 4519 B14R2.101 c1cnnc(c1)NCc2cscn2 27a_100015185402_100016991348 [0,0,0,0,1,0|3,0,0]=4 4520 B14R2.101 c1cnnc(c1)NCc2ncc[nH]2 27a_100000754540_100016991348 [0,0,0,0,1,0|3,0,0]=4 4521 B14R2.101 c1cnnc(c1)NCc2ncco2 27a_100016994969_100016991348 [0,0,0,0,1,0|3,0,0]=4 4522 B14R2.101 c1cnnc(c1)NCc2nccs2 27a_100000740555_100016991348 [0,0,0,0,1,0|3,0,0]=4 4523 B14R2.101 c1coc(c1)CNc2ccncn2 27a_100000185738_100000703185 [0,0,0,0,1,0|3,0,0]=4 4524 B14R2.101 c1coc(c1)CNc2cnccn2 27a_100000185738_100000211759 [0,0,0,0,1,0|3,0,0]=4 4525 B14R2.101 c1coc(c1)SCc2cnccn2 62a_100009814098_100016995436 [0,0,0,0,1,0|3,0,0]=4 4526 B14R2.101 c1coc(c1)SCc2cnccn2 62a_100016995436_100009814098 [0,0,0,0,1,0|3,0,0]=4 4527 B14R2.101 c1coc(c1)SCc2cncnc2 62a_100009814098_100015196519 [0,0,0,0,1,0|3,0,0]=4 4528 B14R2.101 c1coc(c1)SCc2cncnc2 62a_100015196519_100009814098 [0,0,0,0,1,0|3,0,0]=4 4529 B14R2.101 c1csc(c1)CNc2ccncn2 27a_100000211653_100000703185 [0,0,0,0,1,0|3,0,0]=4 4530 B14R2.101 c1csc(c1)CNc2cnccn2 27a_100000211653_100000211759 [0,0,0,0,1,0|3,0,0]=4 4531 B14R2.101 c1csc(c1)SCc2cnccn2 62a_100011215356_100016995436 [0,0,0,0,1,0|3,0,0]=4 4532 B14R2.101 c1csc(c1)SCc2cnccn2 62a_100016995436_100011215356 [0,0,0,0,1,0|3,0,0]=4 4533 B14R2.101 c1csc(c1)SCc2cncnc2 62a_100011215356_100015196519 [0,0,0,0,1,0|3,0,0]=4 4534 B14R2.101 c1csc(c1)SCc2cncnc2 62a_100015196519_100011215356 [0,0,0,0,1,0|3,0,0]=4 4535 B14R2.101 c1ncc(cn1)COc2ccsc2 34a_100000106738_100015196519 [0,0,0,0,1,0|3,0,0]=4 4536 B14R2.101 c1ncc(cn1)COc2ccsc2 7a_100000106738_100015196519 [0,0,0,0,1,0|3,0,0]=4 4537 B14R2.101 c1ncc(cn1)CSc2ccoc2 62a_100011215275_100015196519 [0,0,0,0,1,0|3,0,0]=4 4538 B14R2.101 c1ncc(cn1)CSc2ccoc2 62a_100015196519_100011215275 [0,0,0,0,1,0|3,0,0]=4 4539 B14R2.101 c1ncc(cn1)CSc2ccsc2 62a_100000738268_100015196519 [0,0,0,0,1,0|3,0,0]=4 4540 B14R2.101 c1ncc(cn1)CSc2ccsc2 62a_100015196519_100000738268 [0,0,0,0,1,0|3,0,0]=4 4541 B16R2.2256 C(=Cc1ccccc1)Cc2ccccc2 271570a_200016263579_100000210277 [0,0,0,0,0,1|2,0,0]=3 4542 B16R2.2256 C(=Cc1ccccn1)Cc2ccccc2 271570a_200016263579_100011216584 [0,0,0,0,0,1|3,0,0]=4 4543 B16R2.2256 C(=Cc1cccnc1)Cc2ccccc2 271570a_200016263579_100000752921 [0,0,0,0,0,1|1,0,1]=3 4544 B16R2.2256 C(=Cc1cccnn1)Cc2ccccc2 271570a_200016263579_100016991348 [0,0,0,0,0,1|2,0,1]=4 4545 B16R2.2256 C(=Cc1ccncc1)Cc2ccccc2 271570a_200016263579_100000035832 [0,0,0,0,0,1|3,0,0]=4 4546 B16R2.2256 C(=Cc1ccnnc1)Cc2ccccc2 271570a_200016263579_100000732662 [0,0,0,0,0,1|2,0,1]=4 4547 B16R2.2256 C(=Cc1cnccn1)Cc2ccccc2 271570a_200016263579_100000758340 [0,0,0,0,0,1|2,0,1]=4 4548 B16R2.2256 C(=Cc1cncnc1)Cc2ccccc2 271570a_200016263579_100011206942 [0,0,0,0,0,1|2,0,1]=4 4549 B16R2.2256 C(=NNc1ccccc1)c2ccccc2 4a_100015195140_100015611070 [0,0,0,0,0,1|1,0,1]=3 4550 B16R2.2256 C(=NNc1ccccc1)c2ccccn2 4a_100015195140_100000209966 [0,0,0,0,0,1|2,0,1]=4 4551 B16R2.2256 C(=NNc1ccccc1)c2cccnc2 4a_100015195140_100000209961 [0,0,0,0,0,1|0,0,1]=2 4552 B16R2.2256 C(=NNc1ccccc1)c2ccncc2 4a_100015195140_100000186114 [0,0,0,0,0,1|2,0,1]=4 4553 B16R2.2256 C(=NNc1ccccc1)c2ccnnc2 4a_100015195140_100011934578 [0,0,0,0,0,1|1,0,1]=3 4554 B16R2.2256 C(=NNc1ccccc1)c2cnccn2 4a_100015195140_100000749867 [0,0,0,0,0,1|1,0,1]=3 4555 B16R2.2256 C(=NNc1ccccc1)c2cncnc2 4a_100015195140_100000749868 [0,0,0,0,0,1|1,0,1]=3 4556 B16R2.2256 C(=NNc1ccccn1)c2ccccc2 4a_100000183288_100015611070 [0,0,0,0,0,1|2,0,1]=4 4557 B16R2.2256 C(=NNc1ccccn1)c2cccnc2 4a_100000183288_100000209961 [0,0,0,0,0,1|1,0,1]=3 4558 B16R2.2256 C(=NNc1ccccn1)c2ccnnc2 4a_100000183288_100011934578 [0,0,0,0,0,1|2,0,1]=4 4559 B16R2.2256 C(=NNc1ccccn1)c2cnccn2 4a_100000183288_100000749867 [0,0,0,0,0,1|2,0,1]=4 4560 B16R2.2256 C(=NNc1ccccn1)c2cncnc2 4a_100000183288_100000749868 [0,0,0,0,0,1|2,0,1]=4 4561 B16R2.2256 C(=NNc1cccnc1)c2ccccc2 4a_100000728903_100015611070 [0,0,0,0,0,1|1,0,1]=3 4562 B16R2.2256 C(=NNc1cccnc1)c2ccccn2 4a_100000728903_100000209966 [0,0,0,0,0,1|2,0,1]=4 4563 B16R2.2256 C(=NNc1cccnc1)c2cccnc2 4a_100000728903_100000209961 [0,0,0,0,0,1|1,0,1]=3 4564 B16R2.2256 C(=NNc1cccnc1)c2ccncc2 4a_100000728903_100000186114 [0,0,0,0,0,1|2,0,1]=4 4565 B16R2.2256 C(=NNc1cccnc1)c2ccnnc2 4a_100000728903_100011934578 [0,0,0,0,0,1|2,0,1]=4 4566 B16R2.2256 C(=NNc1cccnc1)c2cnccn2 4a_100000728903_100000749867 [0,0,0,0,0,1|2,0,1]=4 4567 B16R2.2256 C(=NNc1cccnc1)c2cncnc2 4a_100000728903_100000749868 [0,0,0,0,0,1|2,0,1]=4 4568 B16R2.2256 C(=NNc1cccnn1)c2ccccc2 4a_100000757824_100015611070 [0,0,0,0,0,1|2,0,1]=4 4569 B16R2.2256 C(=NNc1cccnn1)c2cccnc2 4a_100000757824_100000209961 [0,0,0,0,0,1|2,0,1]=4 4570 B16R2.2256 C(=NNc1ccncc1)c2ccccc2 4a_100000698918_100015611070 [0,0,0,0,0,1|2,0,1]=4 4571 B16R2.2256 C(=NNc1ccncc1)c2cccnc2 4a_100000698918_100000209961 [0,0,0,0,0,1|1,0,1]=3 4572 B16R2.2256 C(=NNc1ccncc1)c2ccnnc2 4a_100000698918_100011934578 [0,0,0,0,0,1|2,0,1]=4 4573 B16R2.2256 C(=NNc1ccncc1)c2cnccn2 4a_100000698918_100000749867 [0,0,0,0,0,1|2,0,1]=4 4574 B16R2.2256 C(=NNc1ccncc1)c2cncnc2 4a_100000698918_100000749868 [0,0,0,0,0,1|2,0,1]=4 4575 B16R2.2256 C(=NNc1ccncn1)c2cccnc2 4a_100011438088_100000209961 [0,0,0,0,0,1|2,0,1]=4 4576 B16R2.2256 C(=NNc1cnccn1)c2ccccc2 4a_100000736894_100015611070 [0,0,0,0,0,1|2,0,1]=4 4577 B16R2.2256 C(=NNc1cnccn1)c2cccnc2 4a_100000736894_100000209961 [0,0,0,0,0,1|2,0,1]=4 4578 B16R2.2256 C(=NNc1ncccn1)c2cccnc2 4a_100000736892_100000209961 [0,0,0,0,0,1|2,0,1]=4 4579 B16R2.2256 C1=CC(=NNCc2cccnc2)CCC1 4a_100000738295_100011213375 [0,0,0,0,0,1|0,0,3]=4 4580 B16R2.2256 c1cc(ccn1)CCNc2cnccn2 27a_100000742849_100000211759 [0,0,0,0,0,1|3,0,0]=4 4581 B16R2.2256 c1cc(ccn1)CCOc2cncnc2 7a_100000754086_100000723409 [0,0,0,0,0,1|3,0,0]=4 4582 B16R2.2256 c1cc(ccn1)CCSc2ccnnc2 62a_100000723409_100000732662 [0,0,0,0,0,1|3,0,0]=4 4583 B16R2.2256 c1cc(ccn1)CCSc2ccnnc2 62a_100000732662_100000723409 [0,0,0,0,0,1|3,0,0]=4 4584 B16R2.2256 c1cc(ccn1)CCSc2cnccn2 62a_100000211759_100000723409 [0,0,0,0,0,1|3,0,0]=4 4585 B16R2.2256 c1cc(ccn1)CCSc2cnccn2 62a_100000723409_100000211759 [0,0,0,0,0,1|3,0,0]=4 4586 B16R2.2256 c1cc(ccn1)CCSc2cncnc2 62a_100000723409_100011206942 [0,0,0,0,0,1|3,0,0]=4 4587 B16R2.2256 c1cc(ccn1)CCSc2cncnc2 62a_100011206942_100000723409 [0,0,0,0,0,1|3,0,0]=4 4588 B16R2.2256 c1cc(ccn1)CNCc2cncnc2 207a_100011243677_100000186114 [0,0,0,0,0,1|2,0,0]=3 4589 B16R2.2256 c1cc(ccn1)CNCc2cncnc2 2230a_100011243677_100015193705 [0,0,0,0,0,1|2,0,0]=3 4590 B16R2.2256 c1cc(ccn1)CSCc2cnccn2 62a_100015193705_100016995436 [0,0,0,0,0,1|3,0,0]=4 4591 B16R2.2256 c1cc(ccn1)CSCc2cnccn2 62a_100016995436_100015193705 [0,0,0,0,0,1|3,0,0]=4 4592 B16R2.2256 c1cc(ccn1)CSCc2cncnc2 62a_100015193705_100015196519 [0,0,0,0,0,1|3,0,0]=4 4593 B16R2.2256 c1cc(ccn1)CSCc2cncnc2 62a_100015196519_100015193705 [0,0,0,0,0,1|3,0,0]=4 4594 B16R2.2256 c1cc(ncn1)NCCc2cnccn2 27a_100000723456_100000703185 [0,0,0,0,0,1|3,0,0]=4 4595 B16R2.2256 c1ccc(cc1)CCNc2ccccc2 34a_100000106764_100000765856 [0,0,0,0,0,1|1,0,0]=2 4596 B16R2.2256 c1ccc(cc1)CCNc2cccnn2 27a_100000106460_100016991348 [0,0,0,0,0,1|2,0,0]=3 4597 B16R2.2256 c1ccc(cc1)CCNc2ccncn2 27a_100000106460_100000703185 [0,0,0,0,0,1|3,0,0]=4 4598 B16R2.2256 c1ccc(cc1)CCNc2cnccn2 27a_100000106460_100000211759 [0,0,0,0,0,1|2,0,0]=3 4599 B16R2.2256 c1ccc(cc1)CCNc2ncccn2 27a_100000106460_100000211032 [0,0,0,0,0,1|3,0,0]=4 4600 B16R2.2256 c1ccc(cc1)CCOc2ccccc2 34a_100000210340_100000765856 [0,0,0,0,0,1|2,0,0]=3 4601 B16R2.2256 c1ccc(cc1)CCOc2ccccc2 7a_100000210340_100000765856 [0,0,0,0,0,1|2,0,0]=3 4602 B16R2.2256 c1ccc(cc1)CCOc2cccnc2 34a_100000210849_100000765856 [0,0,0,0,0,1|1,0,0]=2 4603 B16R2.2256 c1ccc(cc1)CCOc2cccnc2 7a_100000210849_100000765856 [0,0,0,0,0,1|1,0,0]=2 4604 B16R2.2256 c1ccc(cc1)CCOc2ccncc2 34a_100000212176_100000765856 [0,0,0,0,0,1|3,0,0]=4 4605 B16R2.2256 c1ccc(cc1)CCOc2ccnnc2 34a_100015204005_100000765856 [0,0,0,0,0,1|2,0,0]=3 4606 B16R2.2256 c1ccc(cc1)CCOc2cncnc2 7a_100000754086_100000765856 [0,0,0,0,0,1|2,0,0]=3 4607 B16R2.2256 c1ccc(cc1)CCSc2ccccc2 62a_100000719477_100011218657 [0,0,0,0,0,1|2,0,0]=3 4608 B16R2.2256 c1ccc(cc1)CCSc2ccccc2 62a_100000765856_100000041952 [0,0,0,0,0,1|2,0,0]=3 4609 B16R2.2256 c1ccc(cc1)CCSc2ccccn2 62a_100000765856_100011216584 [0,0,0,0,0,1|3,0,0]=4 4610 B16R2.2256 c1ccc(cc1)CCSc2ccccn2 62a_100011216584_100011218657 [0,0,0,0,0,1|3,0,0]=4 4611 B16R2.2256 c1ccc(cc1)CCSc2cccnc2 62a_100000210063_100011218657 [0,0,0,0,0,1|1,0,0]=2 4612 B16R2.2256 c1ccc(cc1)CCSc2cccnc2 62a_100000765856_100000210063 [0,0,0,0,0,1|1,0,0]=2 4613 B16R2.2256 c1ccc(cc1)CCSc2cccnn2 62a_100000765856_100016991348 [0,0,0,0,0,1|2,0,0]=3 4614 B16R2.2256 c1ccc(cc1)CCSc2cccnn2 62a_100016991348_100011218657 [0,0,0,0,0,1|2,0,0]=3 4615 B16R2.2256 c1ccc(cc1)CCSc2ccncc2 62a_100000728582_100011218657 [0,0,0,0,0,1|3,0,0]=4 4616 B16R2.2256 c1ccc(cc1)CCSc2ccncc2 62a_100000765856_100000728582 [0,0,0,0,0,1|3,0,0]=4 4617 B16R2.2256 c1ccc(cc1)CCSc2ccnnc2 62a_100000732662_100011218657 [0,0,0,0,0,1|2,0,0]=3 4618 B16R2.2256 c1ccc(cc1)CCSc2ccnnc2 62a_100000765856_100000732662 [0,0,0,0,0,1|2,0,0]=3 4619 B16R2.2256 c1ccc(cc1)CCSc2cnccn2 62a_100000211759_100011218657 [0,0,0,0,0,1|2,0,0]=3 4620 B16R2.2256 c1ccc(cc1)CCSc2cnccn2 62a_100000765856_100000211759 [0,0,0,0,0,1|2,0,0]=3 4621 B16R2.2256 c1ccc(cc1)CCSc2cncnc2 62a_100000765856_100011206942 [0,0,0,0,0,1|2,0,0]=3 4622 B16R2.2256 c1ccc(cc1)CCSc2cncnc2 62a_100011206942_100011218657 [0,0,0,0,0,1|2,0,0]=3 4623 B16R2.2256 c1ccc(cc1)CCSc2cnnnc2 62a_100000765856_100009846058 [0,0,0,0,0,1|3,0,0]=4 4624 B16R2.2256 c1ccc(cc1)CCSc2cnnnc2 62a_100009846058_100011218657 [0,0,0,0,0,1|3,0,0]=4 4625 B16R2.2256 c1ccc(cc1)CNCc2ccccc2 207a_100015324214_100015611070 [0,0,0,0,0,1|1,0,0]=2 4626 B16R2.2256 c1ccc(cc1)CNCc2ccccc2 2230a_100015324214_100015291786 [0,0,0,0,0,1|1,0,0]=2 4627 B16R2.2256 c1ccc(cc1)CNCc2ccccc2 270004a_100015324214_100015611070 [0,0,0,0,0,1|1,0,0]=2 4628 B16R2.2256 c1ccc(cc1)CNCc2ccccc2 34a_100015324214_100015291786 [0,0,0,0,0,1|1,0,0]=2 4629 B16R2.2256 c1ccc(cc1)CNCc2ccccn2 207a_100015324214_100000209966 [0,0,0,0,0,1|2,0,0]=3 4630 B16R2.2256 c1ccc(cc1)CNCc2ccccn2 2230a_100015324214_100000721315 [0,0,0,0,0,1|2,0,0]=3 4631 B16R2.2256 c1ccc(cc1)CNCc2ccccn2 270004a_100000210449_100015611070 [0,0,0,0,0,1|2,0,0]=3 4632 B16R2.2256 c1ccc(cc1)CNCc2ccccn2 270004a_100015324214_100000209966 [0,0,0,0,0,1|2,0,0]=3 4633 B16R2.2256 c1ccc(cc1)CNCc2ccccn2 34a_100015324214_100000721315 [0,0,0,0,0,1|2,0,0]=3 4634 B16R2.2256 c1ccc(cc1)CNCc2cccnc2 207a_100000210453_100015611070 [0,0,0,0,0,1|0,0,0]=1 4635 B16R2.2256 c1ccc(cc1)CNCc2cccnc2 207a_100015324214_100000209961 [0,0,0,0,0,1|0,0,0]=1 4636 B16R2.2256 c1ccc(cc1)CNCc2cccnc2 2230a_100015324214_100000741622 [0,0,0,0,0,1|0,0,0]=1 4637 B16R2.2256 c1ccc(cc1)CNCc2cccnc2 270004a_100000210453_100015611070 [0,0,0,0,0,1|0,0,0]=1 4638 B16R2.2256 c1ccc(cc1)CNCc2cccnc2 270004a_100015324214_100000209961 [0,0,0,0,0,1|0,0,0]=1 4639 B16R2.2256 c1ccc(cc1)CNCc2cccnc2 34a_100015324214_100000733263 [0,0,0,0,0,1|0,0,0]=1 4640 B16R2.2256 c1ccc(cc1)CNCc2cccnn2 2230a_100015324214_100016990269 [0,0,0,0,0,1|1,0,0]=2 4641 B16R2.2256 c1ccc(cc1)CNCc2cccnn2 2230a_100159270163_100015291786 [0,0,0,0,0,1|1,0,0]=2 4642 B16R2.2256 c1ccc(cc1)CNCc2cccnn2 34a_100015324214_100016990269 [0,0,0,0,0,1|1,0,0]=2 4643 B16R2.2256 c1ccc(cc1)CNCc2ccncc2 207a_100015324214_100000186114 [0,0,0,0,0,1|2,0,0]=3 4644 B16R2.2256 c1ccc(cc1)CNCc2ccncc2 2230a_100015324214_100015193705 [0,0,0,0,0,1|2,0,0]=3 4645 B16R2.2256 c1ccc(cc1)CNCc2ccnnc2 270004a_100015324214_100011934578 [0,0,0,0,0,1|1,0,0]=2 4646 B16R2.2256 c1ccc(cc1)CNCc2cnccn2 2230a_100015324214_100016995436 [0,0,0,0,0,1|1,0,0]=2 4647 B16R2.2256 c1ccc(cc1)CNCc2cnccn2 270004a_100015324214_100000749867 [0,0,0,0,0,1|1,0,0]=2 4648 B16R2.2256 c1ccc(cc1)CNCc2cnccn2 34a_100015324214_100016995436 [0,0,0,0,0,1|1,0,0]=2 4649 B16R2.2256 c1ccc(cc1)CNCc2cncnc2 207a_100011243677_100015611070 [0,0,0,0,0,1|1,0,0]=2 4650 B16R2.2256 c1ccc(cc1)CNCc2cncnc2 2230a_100011243677_100015291786 [0,0,0,0,0,1|1,0,0]=2 4651 B16R2.2256 c1ccc(cc1)CNCc2cncnc2 2230a_100015324214_100015196519 [0,0,0,0,0,1|1,0,0]=2 4652 B16R2.2256 c1ccc(cc1)CNCc2cncnc2 270004a_100011243677_100015611070 [0,0,0,0,0,1|1,0,0]=2 4653 B16R2.2256 c1ccc(cc1)CNCc2cncnc2 270004a_100015324214_100000749868 [0,0,0,0,0,1|1,0,0]=2 4654 B16R2.2256 c1ccc(cc1)CNCc2cncnc2 34a_100015324214_100015196519 [0,0,0,0,0,1|1,0,0]=2 4655 B16R2.2256 c1ccc(cc1)CNCc2ncccn2 2230a_100015324214_100000703007 [0,0,0,0,0,1|3,0,0]=4 4656 B16R2.2256 c1ccc(cc1)CNCc2ncccn2 270004a_100015324214_100011532527 [0,0,0,0,0,1|3,0,0]=4 4657 B16R2.2256 c1ccc(cc1)CNCc2ncccn2 34a_100015324214_100000703007 [0,0,0,0,0,1|3,0,0]=4 4658 B16R2.2256 c1ccc(cc1)COCc2ccccc2 34a_100000210790_100015291786 [0,0,0,0,0,1|2,0,0]=3 4659 B16R2.2256 c1ccc(cc1)COCc2ccccc2 7a_100000210790_100000211182 [0,0,0,0,0,1|2,0,0]=3 4660 B16R2.2256 c1ccc(cc1)COCc2ccccn2 34a_100000210790_100000721315 [0,0,0,0,0,1|3,0,0]=4 4661 B16R2.2256 c1ccc(cc1)COCc2ccccn2 7a_100000210790_100000721315 [0,0,0,0,0,1|3,0,0]=4 4662 B16R2.2256 c1ccc(cc1)COCc2cccnc2 34a_100000210790_100000733263 [0,0,0,0,0,1|1,0,0]=2 4663 B16R2.2256 c1ccc(cc1)COCc2cccnc2 7a_100000210790_100000741622 [0,0,0,0,0,1|1,0,0]=2 4664 B16R2.2256 c1ccc(cc1)COCc2cccnn2 34a_100000210790_100016990269 [0,0,0,0,0,1|2,0,0]=3 4665 B16R2.2256 c1ccc(cc1)COCc2cccnn2 7a_100000210790_100016990269 [0,0,0,0,0,1|2,0,0]=3 4666 B16R2.2256 c1ccc(cc1)COCc2ccncc2 7a_100000210790_100015193705 [0,0,0,0,0,1|3,0,0]=4 4667 B16R2.2256 c1ccc(cc1)COCc2cnccn2 34a_100000210790_100016995436 [0,0,0,0,0,1|2,0,0]=3 4668 B16R2.2256 c1ccc(cc1)COCc2cnccn2 7a_100000210790_100016995436 [0,0,0,0,0,1|2,0,0]=3 4669 B16R2.2256 c1ccc(cc1)COCc2cncnc2 34a_100000210790_100015196519 [0,0,0,0,0,1|2,0,0]=3 4670 B16R2.2256 c1ccc(cc1)COCc2cncnc2 7a_100000210790_100015196519 [0,0,0,0,0,1|2,0,0]=3 4671 B16R2.2256 c1ccc(cc1)CSCc2ccccc2 62a_100000211182_100015291786 [0,0,0,0,0,1|2,0,0]=3 4672 B16R2.2256 c1ccc(cc1)CSCc2ccccn2 62a_100000211182_100000721315 [0,0,0,0,0,1|3,0,0]=4 4673 B16R2.2256 c1ccc(cc1)CSCc2ccccn2 62a_100000721315_100015291786 [0,0,0,0,0,1|3,0,0]=4 4674 B16R2.2256 c1ccc(cc1)CSCc2cccnc2 62a_100000211182_100000741622 [0,0,0,0,0,1|1,0,0]=2 4675 B16R2.2256 c1ccc(cc1)CSCc2cccnc2 62a_100000741622_100015291786 [0,0,0,0,0,1|1,0,0]=2 4676 B16R2.2256 c1ccc(cc1)CSCc2cccnn2 62a_100000211182_100016990269 [0,0,0,0,0,1|2,0,0]=3 4677 B16R2.2256 c1ccc(cc1)CSCc2cccnn2 62a_100016990269_100015291786 [0,0,0,0,0,1|2,0,0]=3 4678 B16R2.2256 c1ccc(cc1)CSCc2ccncc2 62a_100000211182_100015193705 [0,0,0,0,0,1|3,0,0]=4 4679 B16R2.2256 c1ccc(cc1)CSCc2ccncc2 62a_100015193705_100015291786 [0,0,0,0,0,1|3,0,0]=4 4680 B16R2.2256 c1ccc(cc1)CSCc2cnccn2 62a_100000211182_100016995436 [0,0,0,0,0,1|2,0,0]=3 4681 B16R2.2256 c1ccc(cc1)CSCc2cnccn2 62a_100016995436_100015291786 [0,0,0,0,0,1|2,0,0]=3 4682 B16R2.2256 c1ccc(cc1)CSCc2cncnc2 62a_100000211182_100015196519 [0,0,0,0,0,1|2,0,0]=3 4683 B16R2.2256 c1ccc(cc1)CSCc2cncnc2 62a_100015196519_100015291786 [0,0,0,0,0,1|2,0,0]=3 4684 B16R2.2256 c1ccc(cc1)OCCc2ccccn2 7a_100000210340_100015183660 [0,0,0,0,0,1|3,0,0]=4 4685 B16R2.2256 c1ccc(cc1)OCCc2cccnc2 7a_100000210340_200011713674 [0,0,0,0,0,1|1,0,0]=2 4686 B16R2.2256 c1ccc(cc1)OCCc2ccncc2 7a_100000210340_100000723409 [0,0,0,0,0,1|3,0,0]=4 4687 B16R2.2256 c1ccc(cc1)SCCc2ccccn2 62a_100000719477_100015183660 [0,0,0,0,0,1|3,0,0]=4 4688 B16R2.2256 c1ccc(cc1)SCCc2ccccn2 62a_100015183660_100000041952 [0,0,0,0,0,1|3,0,0]=4 4689 B16R2.2256 c1ccc(cc1)SCCc2cccnc2 62a_100000719477_200011713674 [0,0,0,0,0,1|1,0,0]=2 4690 B16R2.2256 c1ccc(cc1)SCCc2cccnc2 62a_200011713674_100000041952 [0,0,0,0,0,1|1,0,0]=2 4691 B16R2.2256 c1ccc(cc1)SCCc2ccncc2 62a_100000719477_100000723409 [0,0,0,0,0,1|3,0,0]=4 4692 B16R2.2256 c1ccc(cc1)SCCc2ccncc2 62a_100000723409_100000041952 [0,0,0,0,0,1|3,0,0]=4 4693 B16R2.2256 c1ccc(cc1)SCSc2ccccc2 62a_100000719477_100011218342 [0,0,0,0,0,1|2,0,0]=3 4694 B16R2.2256 c1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000041952 [0,0,0,0,0,1|2,0,0]=3 4695 B16R2.2256 c1ccc(cc1)SCSc2ccccn2 62a_100011216584_100011218342 [0,0,0,0,0,1|3,0,0]=4 4696 B16R2.2256 c1ccc(cc1)SCSc2ccccn2 62a_100011218342_100011216584 [0,0,0,0,0,1|3,0,0]=4 4697 B16R2.2256 c1ccc(cc1)SCSc2cccnc2 62a_100000210063_100011218342 [0,0,0,0,0,1|1,0,0]=2 4698 B16R2.2256 c1ccc(cc1)SCSc2cccnc2 62a_100011218342_100000210063 [0,0,0,0,0,1|1,0,0]=2 4699 B16R2.2256 c1ccc(cc1)SCSc2cccnn2 62a_100011218342_100016991348 [0,0,0,0,0,1|2,0,0]=3 4700 B16R2.2256 c1ccc(cc1)SCSc2cccnn2 62a_100016991348_100011218342 [0,0,0,0,0,1|2,0,0]=3 4701 B16R2.2256 c1ccc(cc1)SCSc2ccncc2 62a_100000728582_100011218342 [0,0,0,0,0,1|3,0,0]=4 4702 B16R2.2256 c1ccc(cc1)SCSc2ccncc2 62a_100011218342_100000728582 [0,0,0,0,0,1|3,0,0]=4 4703 B16R2.2256 c1ccc(cc1)SCSc2ccnnc2 62a_100000732662_100011218342 [0,0,0,0,0,1|2,0,0]=3 4704 B16R2.2256 c1ccc(cc1)SCSc2ccnnc2 62a_100011218342_100000732662 [0,0,0,0,0,1|2,0,0]=3 4705 B16R2.2256 c1ccc(cc1)SCSc2cnccn2 62a_100000211759_100011218342 [0,0,0,0,0,1|2,0,0]=3 4706 B16R2.2256 c1ccc(cc1)SCSc2cnccn2 62a_100011218342_100000211759 [0,0,0,0,0,1|2,0,0]=3 4707 B16R2.2256 c1ccc(cc1)SCSc2cncnc2 62a_100011206942_100011218342 [0,0,0,0,0,1|2,0,0]=3 4708 B16R2.2256 c1ccc(cc1)SCSc2cncnc2 62a_100011218342_100011206942 [0,0,0,0,0,1|2,0,0]=3 4709 B16R2.2256 c1ccc(cc1)SCSc2cnnnc2 62a_100009846058_100011218342 [0,0,0,0,0,1|3,0,0]=4 4710 B16R2.2256 c1ccc(cc1)SCSc2cnnnc2 62a_100011218342_100009846058 [0,0,0,0,0,1|3,0,0]=4 4711 B16R2.2256 c1ccc(nc1)CCNc2cccnn2 27a_100000211156_100016991348 [0,0,0,0,0,1|3,0,0]=4 4712 B16R2.2256 c1ccc(nc1)CCNc2cnccn2 27a_100000211156_100000211759 [0,0,0,0,0,1|3,0,0]=4 4713 B16R2.2256 c1ccc(nc1)CCOc2cccnc2 7a_100000210849_100015183660 [0,0,0,0,0,1|2,0,0]=3 4714 B16R2.2256 c1ccc(nc1)CCOc2cncnc2 7a_100000754086_100015183660 [0,0,0,0,0,1|3,0,0]=4 4715 B16R2.2256 c1ccc(nc1)CCSc2cccnc2 62a_100000210063_100015183660 [0,0,0,0,0,1|2,0,0]=3 4716 B16R2.2256 c1ccc(nc1)CCSc2cccnc2 62a_100015183660_100000210063 [0,0,0,0,0,1|2,0,0]=3 4717 B16R2.2256 c1ccc(nc1)CCSc2cccnn2 62a_100015183660_100016991348 [0,0,0,0,0,1|3,0,0]=4 4718 B16R2.2256 c1ccc(nc1)CCSc2cccnn2 62a_100016991348_100015183660 [0,0,0,0,0,1|3,0,0]=4 4719 B16R2.2256 c1ccc(nc1)CCSc2ccnnc2 62a_100000732662_100015183660 [0,0,0,0,0,1|3,0,0]=4 4720 B16R2.2256 c1ccc(nc1)CCSc2ccnnc2 62a_100015183660_100000732662 [0,0,0,0,0,1|3,0,0]=4 4721 B16R2.2256 c1ccc(nc1)CCSc2cnccn2 62a_100000211759_100015183660 [0,0,0,0,0,1|3,0,0]=4 4722 B16R2.2256 c1ccc(nc1)CCSc2cnccn2 62a_100015183660_100000211759 [0,0,0,0,0,1|3,0,0]=4 4723 B16R2.2256 c1ccc(nc1)CCSc2cncnc2 62a_100011206942_100015183660 [0,0,0,0,0,1|3,0,0]=4 4724 B16R2.2256 c1ccc(nc1)CCSc2cncnc2 62a_100015183660_100011206942 [0,0,0,0,0,1|3,0,0]=4 4725 B16R2.2256 c1ccc(nc1)CNCc2ccccn2 270004a_100000210449_100000209966 [0,0,0,0,0,1|3,0,0]=4 4726 B16R2.2256 c1ccc(nc1)CNCc2cccnc2 207a_100000210453_100000209966 [0,0,0,0,0,1|1,0,0]=2 4727 B16R2.2256 c1ccc(nc1)CNCc2cccnc2 270004a_100000210449_100000209961 [0,0,0,0,0,1|1,0,0]=2 4728 B16R2.2256 c1ccc(nc1)CNCc2cccnc2 270004a_100000210453_100000209966 [0,0,0,0,0,1|1,0,0]=2 4729 B16R2.2256 c1ccc(nc1)CNCc2cccnn2 2230a_100159270163_100000721315 [0,0,0,0,0,1|2,0,0]=3 4730 B16R2.2256 c1ccc(nc1)CNCc2ccnnc2 270004a_100000210449_100011934578 [0,0,0,0,0,1|2,0,0]=3 4731 B16R2.2256 c1ccc(nc1)CNCc2cnccn2 270004a_100000210449_100000749867 [0,0,0,0,0,1|2,0,0]=3 4732 B16R2.2256 c1ccc(nc1)CNCc2cncnc2 207a_100011243677_100000209966 [0,0,0,0,0,1|2,0,0]=3 4733 B16R2.2256 c1ccc(nc1)CNCc2cncnc2 2230a_100011243677_100000721315 [0,0,0,0,0,1|2,0,0]=3 4734 B16R2.2256 c1ccc(nc1)CNCc2cncnc2 270004a_100000210449_100000749868 [0,0,0,0,0,1|2,0,0]=3 4735 B16R2.2256 c1ccc(nc1)CNCc2cncnc2 270004a_100011243677_100000209966 [0,0,0,0,0,1|2,0,0]=3 4736 B16R2.2256 c1ccc(nc1)CSCc2cccnc2 62a_100000721315_100000741622 [0,0,0,0,0,1|2,0,0]=3 4737 B16R2.2256 c1ccc(nc1)CSCc2cccnc2 62a_100000741622_100000721315 [0,0,0,0,0,1|2,0,0]=3 4738 B16R2.2256 c1ccc(nc1)CSCc2cccnn2 62a_100000721315_100016990269 [0,0,0,0,0,1|3,0,0]=4 4739 B16R2.2256 c1ccc(nc1)CSCc2cccnn2 62a_100016990269_100000721315 [0,0,0,0,0,1|3,0,0]=4 4740 B16R2.2256 c1ccc(nc1)CSCc2cnccn2 62a_100000721315_100016995436 [0,0,0,0,0,1|3,0,0]=4 4741 B16R2.2256 c1ccc(nc1)CSCc2cnccn2 62a_100016995436_100000721315 [0,0,0,0,0,1|3,0,0]=4 4742 B16R2.2256 c1ccc(nc1)CSCc2cncnc2 62a_100000721315_100015196519 [0,0,0,0,0,1|3,0,0]=4 4743 B16R2.2256 c1ccc(nc1)CSCc2cncnc2 62a_100015196519_100000721315 [0,0,0,0,0,1|3,0,0]=4 4744 B16R2.2256 c1ccc(nc1)SCCc2cccnc2 62a_100011216584_200011713674 [0,0,0,0,0,1|2,0,0]=3 4745 B16R2.2256 c1ccc(nc1)SCCc2cccnc2 62a_200011713674_100011216584 [0,0,0,0,0,1|2,0,0]=3 4746 B16R2.2256 c1cnc(cn1)CCNc2cnccn2 27a_100000723456_100000211759 [0,0,0,0,0,1|3,0,0]=4 4747 B16R2.2256 c1cnc(cn1)CNCc2cncnc2 2230a_100011243677_100016995436 [0,0,0,0,0,1|3,0,0]=4 4748 B16R2.2256 c1cnc(cn1)CNCc2cncnc2 270004a_100011243677_100000749867 [0,0,0,0,0,1|3,0,0]=4 4749 B16R2.2256 c1cnc(nc1)CNCc2cccnc2 270004a_100000210453_100011532527 [0,0,0,0,0,1|2,0,0]=3 4750 B16R2.2256 c1cnc(nc1)CNCc2cccnn2 2230a_100159270163_100000703007 [0,0,0,0,0,1|3,0,0]=4 4751 B16R2.2256 c1cnc(nc1)CNCc2cncnc2 2230a_100011243677_100000703007 [0,0,0,0,0,1|3,0,0]=4 4752 B16R2.2256 c1cnc(nc1)CNCc2cncnc2 270004a_100011243677_100011532527 [0,0,0,0,0,1|3,0,0]=4 4753 B16R2.2256 c1cnc(nc1)CSCc2cccnc2 62a_100000703007_100000741622 [0,0,0,0,0,1|3,0,0]=4 4754 B16R2.2256 c1cnc(nc1)CSCc2cccnc2 62a_100000741622_100000703007 [0,0,0,0,0,1|3,0,0]=4 4755 B16R2.2256 c1cnc(nc1)NCCc2cccnc2 27a_100000736294_100000211032 [0,0,0,0,0,1|2,0,0]=3 4756 B16R2.2256 c1cnc(nc1)NCCc2cnccn2 27a_100000723456_100000211032 [0,0,0,0,0,1|3,0,0]=4 4757 B16R2.2256 c1cnc(nc1)SCCc2cccnc2 62a_100000211032_200011713674 [0,0,0,0,0,1|3,0,0]=4 4758 B16R2.2256 c1cnc(nc1)SCCc2cccnc2 62a_200011713674_100000211032 [0,0,0,0,0,1|3,0,0]=4 4759 B16R2.2256 c1cncc(c1)CCNc2cccnn2 27a_100000736294_100016991348 [0,0,0,0,0,1|2,0,0]=3 4760 B16R2.2256 c1cncc(c1)CCNc2ccncn2 27a_100000736294_100000703185 [0,0,0,0,0,1|2,0,0]=3 4761 B16R2.2256 c1cncc(c1)CCNc2cnccn2 27a_100000736294_100000211759 [0,0,0,0,0,1|2,0,0]=3 4762 B16R2.2256 c1cncc(c1)CCOc2cccnc2 7a_100000210849_200011713674 [0,0,0,0,0,1|2,0,0]=3 4763 B16R2.2256 c1cncc(c1)CCOc2cncnc2 7a_100000754086_200011713674 [0,0,0,0,0,1|3,0,0]=4 4764 B16R2.2256 c1cncc(c1)CCSc2cccnc2 62a_100000210063_200011713674 [0,0,0,0,0,1|2,0,0]=3 4765 B16R2.2256 c1cncc(c1)CCSc2cccnc2 62a_200011713674_100000210063 [0,0,0,0,0,1|2,0,0]=3 4766 B16R2.2256 c1cncc(c1)CCSc2cccnn2 62a_100016991348_200011713674 [0,0,0,0,0,1|3,0,0]=4 4767 B16R2.2256 c1cncc(c1)CCSc2cccnn2 62a_200011713674_100016991348 [0,0,0,0,0,1|3,0,0]=4 4768 B16R2.2256 c1cncc(c1)CCSc2ccncc2 62a_100000728582_200011713674 [0,0,0,0,0,1|2,0,0]=3 4769 B16R2.2256 c1cncc(c1)CCSc2ccncc2 62a_200011713674_100000728582 [0,0,0,0,0,1|2,0,0]=3 4770 B16R2.2256 c1cncc(c1)CCSc2ccncn2 62a_100000703185_200011713674 [0,0,0,0,0,1|3,0,0]=4 4771 B16R2.2256 c1cncc(c1)CCSc2ccncn2 62a_200011713674_100000703185 [0,0,0,0,0,1|3,0,0]=4 4772 B16R2.2256 c1cncc(c1)CCSc2ccnnc2 62a_100000732662_200011713674 [0,0,0,0,0,1|3,0,0]=4 4773 B16R2.2256 c1cncc(c1)CCSc2ccnnc2 62a_200011713674_100000732662 [0,0,0,0,0,1|3,0,0]=4 4774 B16R2.2256 c1cncc(c1)CCSc2cnccn2 62a_100000211759_200011713674 [0,0,0,0,0,1|3,0,0]=4 4775 B16R2.2256 c1cncc(c1)CCSc2cnccn2 62a_200011713674_100000211759 [0,0,0,0,0,1|3,0,0]=4 4776 B16R2.2256 c1cncc(c1)CCSc2cncnc2 62a_100011206942_200011713674 [0,0,0,0,0,1|3,0,0]=4 4777 B16R2.2256 c1cncc(c1)CCSc2cncnc2 62a_200011713674_100011206942 [0,0,0,0,0,1|3,0,0]=4 4778 B16R2.2256 c1cncc(c1)CNCc2cccnc2 207a_100000210453_100000209961 [0,0,0,0,0,1|1,0,0]=2 4779 B16R2.2256 c1cncc(c1)CNCc2cccnc2 270004a_100000210453_100000209961 [0,0,0,0,0,1|1,0,0]=2 4780 B16R2.2256 c1cncc(c1)CNCc2cccnn2 2230a_100159270163_100000741622 [0,0,0,0,0,1|2,0,0]=3 4781 B16R2.2256 c1cncc(c1)CNCc2ccncc2 207a_100000210453_100000186114 [0,0,0,0,0,1|1,0,0]=2 4782 B16R2.2256 c1cncc(c1)CNCc2ccnnc2 270004a_100000210453_100011934578 [0,0,0,0,0,1|2,0,0]=3 4783 B16R2.2256 c1cncc(c1)CNCc2cnccn2 270004a_100000210453_100000749867 [0,0,0,0,0,1|2,0,0]=3 4784 B16R2.2256 c1cncc(c1)CNCc2cncnc2 207a_100011243677_100000209961 [0,0,0,0,0,1|2,0,0]=3 4785 B16R2.2256 c1cncc(c1)CNCc2cncnc2 2230a_100011243677_100000741622 [0,0,0,0,0,1|2,0,0]=3 4786 B16R2.2256 c1cncc(c1)CNCc2cncnc2 270004a_100000210453_100000749868 [0,0,0,0,0,1|2,0,0]=3 4787 B16R2.2256 c1cncc(c1)CNCc2cncnc2 270004a_100011243677_100000209961 [0,0,0,0,0,1|2,0,0]=3 4788 B16R2.2256 c1cncc(c1)CSCc2cccnc2 62a_100000741622_100000741622 [0,0,0,0,0,1|2,0,0]=3 4789 B16R2.2256 c1cncc(c1)CSCc2cccnn2 62a_100000741622_100016990269 [0,0,0,0,0,1|3,0,0]=4 4790 B16R2.2256 c1cncc(c1)CSCc2cccnn2 62a_100016990269_100000741622 [0,0,0,0,0,1|3,0,0]=4 4791 B16R2.2256 c1cncc(c1)CSCc2ccncc2 62a_100000741622_100015193705 [0,0,0,0,0,1|2,0,0]=3 4792 B16R2.2256 c1cncc(c1)CSCc2ccncc2 62a_100015193705_100000741622 [0,0,0,0,0,1|2,0,0]=3 4793 B16R2.2256 c1cncc(c1)CSCc2cnccn2 62a_100000741622_100016995436 [0,0,0,0,0,1|3,0,0]=4 4794 B16R2.2256 c1cncc(c1)CSCc2cnccn2 62a_100016995436_100000741622 [0,0,0,0,0,1|3,0,0]=4 4795 B16R2.2256 c1cncc(c1)CSCc2cncnc2 62a_100000741622_100015196519 [0,0,0,0,0,1|3,0,0]=4 4796 B16R2.2256 c1cncc(c1)CSCc2cncnc2 62a_100015196519_100000741622 [0,0,0,0,0,1|3,0,0]=4 4797 B16R2.2256 c1cncc(c1)OCCc2ccncc2 7a_100000210849_100000723409 [0,0,0,0,0,1|2,0,0]=3 4798 B16R2.2256 c1cncc(c1)SCCc2ccncc2 62a_100000210063_100000723409 [0,0,0,0,0,1|2,0,0]=3 4799 B16R2.2256 c1cncc(c1)SCCc2ccncc2 62a_100000723409_100000210063 [0,0,0,0,0,1|2,0,0]=3 4800 B16R2.2256 c1cnnc(c1)CNCc2cccnn2 2230a_100159270163_100016990269 [0,0,0,0,0,1|3,0,0]=4 4801 B16R2.2256 c1cnnc(c1)CNCc2ccncc2 2230a_100159270163_100015193705 [0,0,0,0,0,1|2,0,0]=3 4802 B16R2.2256 c1cnnc(c1)CNCc2cnccn2 2230a_100159270163_100016995436 [0,0,0,0,0,1|3,0,0]=4 4803 B16R2.2256 c1cnnc(c1)CNCc2cncnc2 2230a_100011243677_100016990269 [0,0,0,0,0,1|3,0,0]=4 4804 B16R2.2256 c1cnnc(c1)CNCc2cncnc2 2230a_100159270163_100015196519 [0,0,0,0,0,1|3,0,0]=4 4805 B16R2.2256 c1cnnc(c1)CSCc2ccncc2 62a_100015193705_100016990269 [0,0,0,0,0,1|3,0,0]=4 4806 B16R2.2256 c1cnnc(c1)CSCc2ccncc2 62a_100016990269_100015193705 [0,0,0,0,0,1|3,0,0]=4 4807 B16R2.2256 c1cnnc(c1)NCCc2ccncc2 27a_100000742849_100016991348 [0,0,0,0,0,1|3,0,0]=4 4808 B16R2.2256 c1cnnc(c1)NCCc2cnccn2 27a_100000723456_100016991348 [0,0,0,0,0,1|3,0,0]=4 4809 B16R2.2256 c1cnnc(c1)SCCc2ccncc2 62a_100000723409_100016991348 [0,0,0,0,0,1|3,0,0]=4 4810 B16R2.2256 c1cnnc(c1)SCCc2ccncc2 62a_100016991348_100000723409 [0,0,0,0,0,1|3,0,0]=4 4811 B16R2.2256 c1ncc(cn1)CNCc2ccnnc2 270004a_100011243677_100011934578 [0,0,0,0,0,1|3,0,0]=4 4812 B16R2.2256 c1ncc(cn1)CNCc2cncnc2 2230a_100011243677_100015196519 [0,0,0,0,0,1|3,0,0]=4 4813 B16R2.2256 c1ncc(cn1)CNCc2cncnc2 270004a_100011243677_100000749868 [0,0,0,0,0,1|3,0,0]=4 4814 B13R1.42 C=CCC(=O)NCc1cccnc1 11a_100000210453_100000210193 [1,0,1,0,0,0|1,0,1]=4 4815 B13R1.42 C=CCC(=O)NCc1cccnc1 240690a_100000210453_100000210193 [1,0,1,0,0,0|1,0,1]=4 4816 B13R1.42 C=CCC(=O)NCc1cccnc1 527a_100000210453_100000210193 [1,0,1,0,0,0|1,0,1]=4 4817 B13R1.42 C=COC(=O)CNc1ccccc1 34a_100000106764_100000036128 [1,0,1,0,0,0|2,0,0]=4 4818 B13R1.42 CC=CC(=O)NCc1cccnc1 11a_100000210453_100000210699 [1,0,1,0,0,0|1,0,1]=4 4819 B13R1.42 CC=CC(=O)NCc1cccnc1 240690a_100000210453_100000210699 [1,0,1,0,0,0|1,0,1]=4 4820 B13R1.42 O=C(C=CBr)NCc1cccnc1 240690a_100000210453_100016273825 [1,0,1,0,0,0|2,0,0]=4 4821 B13R1.42 O=C(C=CCl)NCc1cccnc1 11a_100000210453_200016279998 [1,0,1,0,0,0|2,0,0]=4 4822 B13R1.42 O=C(C=CCl)NCc1cccnc1 240690a_100000210453_200016279998 [1,0,1,0,0,0|2,0,0]=4 4823 B13R1.417 C=CC(C=C)OCc1cccnc1 34a_100000033096_100000733263 [1,0,1,0,0,0|1,0,1]=4 4824 B15R1.35 CC=CC=CC=NNCc1ccccc1 4a_100000007032_100000691131 [0,1,1,0,0,0|1,0,1]=4 4825 B15R1.35 CC=CC=CC=NNCc1cccnc1 4a_100000738295_100000691131 [0,1,1,0,0,0|0,0,1]=3 4826 B15R1.78 C/C=C/C=CC(=O)CCc1cccnc1 1458a_100000185730_200011713674 [0,1,1,0,0,0|1,0,1]=4 4827 B15R1.78 C/C=C/C=CC(=O)NCc1ccccc1 11a_100015324214_100000185730 [0,1,1,0,0,0|1,0,1]=4 4828 B15R1.78 C/C=C/C=CC(=O)NCc1ccccc1 1626a_100015324214_100000185730 [0,1,1,0,0,0|1,0,1]=4 4829 B15R1.78 C/C=C/C=CC(=O)NCc1ccccc1 240690a_100015324214_100000185730 [0,1,1,0,0,0|1,0,1]=4 4830 B15R1.78 C/C=C/C=CC(=O)NCc1cccnc1 11a_100000210453_100000185730 [0,1,1,0,0,0|0,0,1]=3 4831 B15R1.78 C/C=C/C=CC(=O)NCc1cccnc1 240690a_100000210453_100000185730 [0,1,1,0,0,0|0,0,1]=3 4832 B15R1.78 C/C=C/C=CC(=O)NCc1cccnn1 11a_100159270163_100000185730 [0,1,1,0,0,0|1,0,1]=4 4833 B15R1.78 C/C=C/C=CC(=O)NCc1cccnn1 240690a_100159270163_100000185730 [0,1,1,0,0,0|1,0,1]=4 4834 B15R1.78 C/C=C/C=CC(=O)NCc1cnccn1 11a_100000737960_100000185730 [0,1,1,0,0,0|1,0,1]=4 4835 B15R1.78 C/C=C/C=CC(=O)NCc1cnccn1 240690a_100000737960_100000185730 [0,1,1,0,0,0|1,0,1]=4 4836 B15R1.78 C/C=C/C=CC(=O)NCc1cncnc1 11a_100011243677_100000185730 [0,1,1,0,0,0|1,0,1]=4 4837 B15R1.78 C/C=C/C=CC(=O)NCc1cncnc1 240690a_100011243677_100000185730 [0,1,1,0,0,0|1,0,1]=4 4838 B15R1.78 C/C=C/C=CC(=O)NNc1cccnc1 22a_100000728903_100000185730 [0,1,1,0,0,0|1,0,1]=4 4839 B15R1.157 C=CC=CC(=O)NCCc1cccnc1 1626a_100000736294_100016291481 [0,1,1,0,0,0|2,0,0]=4 4840 B15R1.157 C=CC=CC(=O)NNCc1ccccc1 22a_100000007032_100016291481 [0,1,1,0,0,0|2,0,0]=4 4841 B15R1.157 C=CC=CC(=O)NNCc1cccnc1 22a_100000738295_100016291481 [0,1,1,0,0,0|1,0,0]=3 4842 B15R1.115 C=CC=CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100016291481 [0,1,1,0,0,0|2,0,0]=4 4843 B15R1.127 C=CC=CC(=O)NCc1cccc(c1)Br 1626a_100000174977_100016291481 [0,1,1,0,0,0|2,0,0]=4 4844 B15R1.127 C=CC=CC(=O)NCc1cccc(c1)C 1626a_100000185548_100016291481 [0,1,1,0,0,0|2,0,0]=4 4845 B15R1.127 C=CC=CC(=O)NCc1cccc(c1)Cl 1626a_100000174878_100016291481 [0,1,1,0,0,0|2,0,0]=4 4846 B15R1.127 C=CC=CC(=O)NCc1cccc(c1)F 1626a_100000174948_100016291481 [0,1,1,0,0,0|2,0,0]=4 4847 B15R1.127 C=CC=CC(=O)NCc1cccc(c1)I 1626a_100000106179_100016291481 [0,1,1,0,0,0|2,0,0]=4 4848 B15R1.127 C=CC=CC(=O)NCc1cncc(c1)C 1626a_100000692839_100016291481 [0,1,1,0,0,0|1,0,0]=3 4849 B15R1.127 C=CC=CC(=O)NCc1cncc(c1)Cl 1626a_200020614424_100016291481 [0,1,1,0,0,0|1,0,0]=3 4850 B15R1.127 C=CC=CC(=O)NCc1cncc(c1)F 1626a_100011962886_100016291481 [0,1,1,0,0,0|1,0,0]=3 4851 B15R1.127 C=CC=CC(=O)NNc1cncc(c1)Br 22a_100000727789_100016291481 [0,1,1,0,0,0|2,0,0]=4 4852 B15R1.127 C=CC=CC(=O)NNc1cncc(c1)F 22a_200011955905_100016291481 [0,1,1,0,0,0|2,0,0]=4 4853 B15R1.139 C=CC=CC(=O)NCc1ccc(cc1)Br 1626a_100000174875_100016291481 [0,1,1,0,0,0|2,0,0]=4 4854 B15R1.139 C=CC=CC(=O)NCc1ccc(cc1)C 1626a_100000174908_100016291481 [0,1,1,0,0,0|2,0,0]=4 4855 B15R1.139 C=CC=CC(=O)NCc1ccc(cc1)Cl 1626a_100000174871_100016291481 [0,1,1,0,0,0|2,0,0]=4 4856 B15R1.139 C=CC=CC(=O)NCc1ccc(cc1)F 1626a_100000174882_100016291481 [0,1,1,0,0,0|2,0,0]=4 4857 B15R1.139 C=CC=CC(=O)NCc1ccc(cc1)I 1626a_100016989417_100016291481 [0,1,1,0,0,0|2,0,0]=4 4858 B15R1.139 C=CC=CC(=O)NCc1ccc(nc1)C 1626a_100000740942_100016291481 [0,1,1,0,0,0|1,0,0]=3 4859 B15R1.139 C=CC=CC(=O)NCc1ccc(nc1)Cl 1626a_100000735879_100016291481 [0,1,1,0,0,0|1,0,0]=3 4860 B15R1.139 C=CC=CC(=O)NCc1ccc(nc1)F 1626a_100000101913_100016291481 [0,1,1,0,0,0|1,0,0]=3 4861 B15R1.139 C=CC=CC(=O)NNc1ccc(nc1)Br 22a_100000755011_100016291481 [0,1,1,0,0,0|2,0,0]=4 4862 B15R1.139 C=CC=CC(=O)NNc1ccc(nc1)C 22a_100020639869_100016291481 [0,1,1,0,0,0|2,0,0]=4 4863 B15R1.139 C=CC=CC(=O)NNc1ccc(nc1)Cl 22a_100000119030_100016291481 [0,1,1,0,0,0|2,0,0]=4 4864 B15R1.139 C=CC=CC(=O)NNc1ccc(nc1)F 22a_100000120849_100016291481 [0,1,1,0,0,0|2,0,0]=4 4865 B15R1.551 C=CC=CC(=O)N(C)Cc1ccccc1 1626a_100000186898_100016291481 [0,1,1,0,0,0|2,0,0]=4 4866 B15R1.1208 C=CC=CC(=O)NCc1ccccc1Br 1626a_100000689332_100016291481 [0,1,1,0,0,0|2,0,0]=4 4867 B15R1.1208 C=CC=CC(=O)NCc1ccccc1C 1626a_100000174972_100016291481 [0,1,1,0,0,0|2,0,0]=4 4868 B15R1.1208 C=CC=CC(=O)NCc1ccccc1Cl 1626a_100000174879_100016291481 [0,1,1,0,0,0|2,0,0]=4 4869 B15R1.1208 C=CC=CC(=O)NCc1ccccc1F 1626a_100000174869_100016291481 [0,1,1,0,0,0|2,0,0]=4 4870 B15R1.1208 C=CC=CC(=O)NCc1ccccc1I 1626a_100015347259_100016291481 [0,1,1,0,0,0|2,0,0]=4 4871 B15R1.1208 C=CC=CC(=O)NCc1cccnc1Cl 1626a_100015189234_100016291481 [0,1,1,0,0,0|1,0,0]=3 4872 B15R1.1208 C=CC=CC(=O)NCc1cccnc1F 1626a_100000724633_100016291481 [0,1,1,0,0,0|1,0,0]=3 4873 B15R1.1208 C=CC=CC(=O)NNc1cccnc1C 22a_100000730703_100016291481 [0,1,1,0,0,0|2,0,0]=4 4874 B15R1.5919 CC(=O)C=CC(=O)NCc1cccnc1 1458a_100000752250_200000210301 [0,1,1,0,0,0|1,0,1]=4 4875 B15R1.5919 [13CH3]C(=O)C=CC(=O)NCc1cccnc1 1458a_100000752250_200025704644 [0,1,1,0,0,0|1,0,1]=4 4876 B15R2.29 Brc1ccc(cc1)Nc2cccnn2 27a_100000210018_100016991348 [0,1,0,0,1,0|1,0,0]=3 4877 B15R2.29 Brc1ccc(cc1)Nc2cnccn2 27a_100000210018_100000211759 [0,1,0,0,1,0|1,0,0]=3 4878 B15R2.29 Brc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000752885 [0,1,0,0,1,0|2,0,0]=4 4879 B15R2.29 Brc1ccc(cc1)Sc2ccccc2 62a_100000752885_100000041952 [0,1,0,0,1,0|2,0,0]=4 4880 B15R2.29 Brc1ccc(cc1)Sc2cccnc2 62a_100000210063_100000752885 [0,1,0,0,1,0|1,0,0]=3 4881 B15R2.29 Brc1ccc(cc1)Sc2cccnc2 62a_100000752885_100000210063 [0,1,0,0,1,0|1,0,0]=3 4882 B15R2.29 Brc1ccc(cc1)Sc2cccnn2 62a_100000752885_100016991348 [0,1,0,0,1,0|2,0,0]=4 4883 B15R2.29 Brc1ccc(cc1)Sc2cccnn2 62a_100016991348_100000752885 [0,1,0,0,1,0|2,0,0]=4 4884 B15R2.29 Brc1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000752885 [0,1,0,0,1,0|2,0,0]=4 4885 B15R2.29 Brc1ccc(cc1)Sc2ccnnc2 62a_100000752885_100000732662 [0,1,0,0,1,0|2,0,0]=4 4886 B15R2.29 Brc1ccc(cc1)Sc2cnccn2 62a_100000211759_100000752885 [0,1,0,0,1,0|2,0,0]=4 4887 B15R2.29 Brc1ccc(cc1)Sc2cnccn2 62a_100000752885_100000211759 [0,1,0,0,1,0|2,0,0]=4 4888 B15R2.29 Brc1ccc(cc1)Sc2cncnc2 62a_100000752885_100011206942 [0,1,0,0,1,0|2,0,0]=4 4889 B15R2.29 Brc1ccc(cc1)Sc2cncnc2 62a_100011206942_100000752885 [0,1,0,0,1,0|2,0,0]=4 4890 B15R2.29 Brc1ccc(cn1)Sc2ccccc2 62a_100000719477_100009814638 [0,1,0,0,1,0|1,0,0]=3 4891 B15R2.29 Brc1ccc(cn1)Sc2ccccc2 62a_100009814638_100000041952 [0,1,0,0,1,0|1,0,0]=3 4892 B15R2.29 Brc1ccc(cn1)Sc2ccccn2 62a_100009814638_100011216584 [0,1,0,0,1,0|2,0,0]=4 4893 B15R2.29 Brc1ccc(cn1)Sc2ccccn2 62a_100011216584_100009814638 [0,1,0,0,1,0|2,0,0]=4 4894 B15R2.29 Brc1ccc(cn1)Sc2cccnc2 62a_100000210063_100009814638 [0,1,0,0,1,0|2,0,0]=4 4895 B15R2.29 Brc1ccc(cn1)Sc2cccnc2 62a_100009814638_100000210063 [0,1,0,0,1,0|2,0,0]=4 4896 B15R2.29 Brc1ccc(cn1)Sc2ccncc2 62a_100000728582_100009814638 [0,1,0,0,1,0|2,0,0]=4 4897 B15R2.29 Brc1ccc(cn1)Sc2ccncc2 62a_100009814638_100000728582 [0,1,0,0,1,0|2,0,0]=4 4898 B15R2.29 Brc1ccc(nc1)Nc2ccccc2 27a_100000106764_100000686858 [0,1,0,0,1,0|2,0,0]=4 4899 B15R2.29 Brc1ccc(nc1)Sc2cccnc2 62a_100000210063_100000686858 [0,1,0,0,1,0|2,0,0]=4 4900 B15R2.29 Brc1ccc(nc1)Sc2cccnc2 62a_100000686858_100000210063 [0,1,0,0,1,0|2,0,0]=4 4901 B15R2.29 Brc1cnc(cn1)Nc2ccccc2 27a_100000106764_100010187541 [0,1,0,0,1,0|1,0,0]=3 4902 B15R2.29 Brc1cnc(cn1)Sc2ccccc2 62a_100000719477_100010187541 [0,1,0,0,1,0|2,0,0]=4 4903 B15R2.29 Brc1cnc(cn1)Sc2ccccc2 62a_100010187541_100000041952 [0,1,0,0,1,0|2,0,0]=4 4904 B15R2.29 Brc1ncc(cn1)Sc2ccccc2 62a_100000719477_200012349914 [0,1,0,0,1,0|2,0,0]=4 4905 B15R2.29 Brc1ncc(cn1)Sc2ccccc2 62a_200012349914_100000041952 [0,1,0,0,1,0|2,0,0]=4 4906 B15R2.29 Cc1ccc(cc1)Nc2cccnn2 27a_100000124888_100016991348 [0,1,0,0,1,0|1,0,0]=3 4907 B15R2.29 Cc1ccc(cc1)Nc2cnccn2 27a_100000124888_100000211759 [0,1,0,0,1,0|1,0,0]=3 4908 B15R2.29 Cc1ccc(cc1)Sc2ccccc2 62a_100000186775_100000041952 [0,1,0,0,1,0|2,0,0]=4 4909 B15R2.29 Cc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000186775 [0,1,0,0,1,0|2,0,0]=4 4910 B15R2.29 Cc1ccc(cc1)Sc2cccnc2 62a_100000186775_100000210063 [0,1,0,0,1,0|1,0,0]=3 4911 B15R2.29 Cc1ccc(cc1)Sc2cccnc2 62a_100000210063_100000186775 [0,1,0,0,1,0|1,0,0]=3 4912 B15R2.29 Cc1ccc(cc1)Sc2cccnn2 62a_100000186775_100016991348 [0,1,0,0,1,0|2,0,0]=4 4913 B15R2.29 Cc1ccc(cc1)Sc2cccnn2 62a_100016991348_100000186775 [0,1,0,0,1,0|2,0,0]=4 4914 B15R2.29 Cc1ccc(cc1)Sc2ccnnc2 62a_100000186775_100000732662 [0,1,0,0,1,0|2,0,0]=4 4915 B15R2.29 Cc1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000186775 [0,1,0,0,1,0|2,0,0]=4 4916 B15R2.29 Cc1ccc(cc1)Sc2cnccn2 62a_100000186775_100000211759 [0,1,0,0,1,0|2,0,0]=4 4917 B15R2.29 Cc1ccc(cc1)Sc2cnccn2 62a_100000211759_100000186775 [0,1,0,0,1,0|2,0,0]=4 4918 B15R2.29 Cc1ccc(cc1)Sc2cncnc2 62a_100000186775_100011206942 [0,1,0,0,1,0|2,0,0]=4 4919 B15R2.29 Cc1ccc(cc1)Sc2cncnc2 62a_100011206942_100000186775 [0,1,0,0,1,0|2,0,0]=4 4920 B15R2.29 Cc1ccc(cn1)Sc2ccccc2 62a_100000719477_100000751577 [0,1,0,0,1,0|1,0,0]=3 4921 B15R2.29 Cc1ccc(cn1)Sc2ccccc2 62a_100000751577_100000041952 [0,1,0,0,1,0|1,0,0]=3 4922 B15R2.29 Cc1ccc(cn1)Sc2ccccn2 62a_100000751577_100011216584 [0,1,0,0,1,0|2,0,0]=4 4923 B15R2.29 Cc1ccc(cn1)Sc2ccccn2 62a_100011216584_100000751577 [0,1,0,0,1,0|2,0,0]=4 4924 B15R2.29 Cc1ccc(cn1)Sc2cccnc2 62a_100000210063_100000751577 [0,1,0,0,1,0|2,0,0]=4 4925 B15R2.29 Cc1ccc(cn1)Sc2cccnc2 62a_100000751577_100000210063 [0,1,0,0,1,0|2,0,0]=4 4926 B15R2.29 Cc1ccc(cn1)Sc2ccncc2 62a_100000728582_100000751577 [0,1,0,0,1,0|2,0,0]=4 4927 B15R2.29 Cc1ccc(cn1)Sc2ccncc2 62a_100000751577_100000728582 [0,1,0,0,1,0|2,0,0]=4 4928 B15R2.29 Cc1ccc(nc1)Sc2cccnc2 62a_100000210063_100000754016 [0,1,0,0,1,0|2,0,0]=4 4929 B15R2.29 Cc1ccc(nc1)Sc2cccnc2 62a_100011192072_100000210063 [0,1,0,0,1,0|2,0,0]=4 4930 B15R2.29 Cc1ccc(nn1)Nc2ccccc2 27a_100000106764_100000744512 [0,1,0,0,1,0|1,0,0]=3 4931 B15R2.29 Cc1ccc(nn1)Sc2ccccc2 62a_100000719477_100000744512 [0,1,0,0,1,0|2,0,0]=4 4932 B15R2.29 Cc1ccc(nn1)Sc2ccccc2 62a_100000744512_100000041952 [0,1,0,0,1,0|2,0,0]=4 4933 B15R2.29 Cc1cnc(cn1)Nc2ccccc2 27a_100000106764_100000074397 [0,1,0,0,1,0|1,0,0]=3 4934 B15R2.29 Cc1cnc(cn1)Sc2ccccc2 62a_100000719477_100011999403 [0,1,0,0,1,0|2,0,0]=4 4935 B15R2.29 Cc1cnc(cn1)Sc2ccccc2 62a_100011999403_100000041952 [0,1,0,0,1,0|2,0,0]=4 4936 B15R2.29 Cc1ncc(cn1)Sc2ccccc2 62a_100000686985_100000041952 [0,1,0,0,1,0|2,0,0]=4 4937 B15R2.29 Cc1ncc(cn1)Sc2ccccc2 62a_100000719477_100000686985 [0,1,0,0,1,0|2,0,0]=4 4938 B15R2.29 Clc1ccc(cc1)Nc2cccnn2 27a_100000210052_100016991348 [0,1,0,0,1,0|1,0,0]=3 4939 B15R2.29 Clc1ccc(cc1)Nc2cnccn2 27a_100000210052_100000211759 [0,1,0,0,1,0|1,0,0]=3 4940 B15R2.29 Clc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000755918 [0,1,0,0,1,0|2,0,0]=4 4941 B15R2.29 Clc1ccc(cc1)Sc2ccccc2 62a_100000755918_100000041952 [0,1,0,0,1,0|2,0,0]=4 4942 B15R2.29 Clc1ccc(cc1)Sc2cccnc2 62a_100000210063_100000755918 [0,1,0,0,1,0|1,0,0]=3 4943 B15R2.29 Clc1ccc(cc1)Sc2cccnc2 62a_100000755918_100000210063 [0,1,0,0,1,0|1,0,0]=3 4944 B15R2.29 Clc1ccc(cc1)Sc2cccnn2 62a_100000755918_100016991348 [0,1,0,0,1,0|2,0,0]=4 4945 B15R2.29 Clc1ccc(cc1)Sc2cccnn2 62a_100016991348_100000755918 [0,1,0,0,1,0|2,0,0]=4 4946 B15R2.29 Clc1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000755918 [0,1,0,0,1,0|2,0,0]=4 4947 B15R2.29 Clc1ccc(cc1)Sc2ccnnc2 62a_100000755918_100000732662 [0,1,0,0,1,0|2,0,0]=4 4948 B15R2.29 Clc1ccc(cc1)Sc2cnccn2 62a_100000211759_100000755918 [0,1,0,0,1,0|2,0,0]=4 4949 B15R2.29 Clc1ccc(cc1)Sc2cnccn2 62a_100000755918_100000211759 [0,1,0,0,1,0|2,0,0]=4 4950 B15R2.29 Clc1ccc(cc1)Sc2cncnc2 62a_100000755918_100011206942 [0,1,0,0,1,0|2,0,0]=4 4951 B15R2.29 Clc1ccc(cc1)Sc2cncnc2 62a_100011206942_100000755918 [0,1,0,0,1,0|2,0,0]=4 4952 B15R2.29 Clc1ccc(cn1)Sc2ccccc2 62a_100000034144_100000041952 [0,1,0,0,1,0|1,0,0]=3 4953 B15R2.29 Clc1ccc(cn1)Sc2ccccc2 62a_100000719477_100000034144 [0,1,0,0,1,0|1,0,0]=3 4954 B15R2.29 Clc1ccc(cn1)Sc2ccccn2 62a_100000034144_100011216584 [0,1,0,0,1,0|2,0,0]=4 4955 B15R2.29 Clc1ccc(cn1)Sc2ccccn2 62a_100011216584_100000034144 [0,1,0,0,1,0|2,0,0]=4 4956 B15R2.29 Clc1ccc(cn1)Sc2cccnc2 62a_100000034144_100000210063 [0,1,0,0,1,0|2,0,0]=4 4957 B15R2.29 Clc1ccc(cn1)Sc2cccnc2 62a_100000210063_100000034144 [0,1,0,0,1,0|2,0,0]=4 4958 B15R2.29 Clc1ccc(cn1)Sc2ccncc2 62a_100000034144_100000728582 [0,1,0,0,1,0|2,0,0]=4 4959 B15R2.29 Clc1ccc(cn1)Sc2ccncc2 62a_100000728582_100000034144 [0,1,0,0,1,0|2,0,0]=4 4960 B15R2.29 Clc1ccc(nc1)Sc2cccnc2 62a_100000210063_100011356976 [0,1,0,0,1,0|2,0,0]=4 4961 B15R2.29 Clc1ccc(nc1)Sc2cccnc2 62a_100011356976_100000210063 [0,1,0,0,1,0|2,0,0]=4 4962 B15R2.29 Clc1ccc(nn1)Sc2ccccc2 62a_100000068654_100000041952 [0,1,0,0,1,0|2,0,0]=4 4963 B15R2.29 Clc1ccc(nn1)Sc2ccccc2 62a_100000719477_100000068654 [0,1,0,0,1,0|2,0,0]=4 4964 B15R2.29 Clc1cnc(cn1)Sc2ccccc2 62a_100000719477_100010214907 [0,1,0,0,1,0|2,0,0]=4 4965 B15R2.29 Clc1cnc(cn1)Sc2ccccc2 62a_100010214907_100000041952 [0,1,0,0,1,0|2,0,0]=4 4966 B15R2.29 Clc1ncc(cn1)Sc2ccccc2 62a_100000059775_100000041952 [0,1,0,0,1,0|2,0,0]=4 4967 B15R2.29 Clc1ncc(cn1)Sc2ccccc2 62a_100000719477_100000059775 [0,1,0,0,1,0|2,0,0]=4 4968 B15R2.29 Fc1ccc(cc1)Nc2cccnn2 27a_100000185862_100016991348 [0,1,0,0,1,0|1,0,0]=3 4969 B15R2.29 Fc1ccc(cc1)Nc2cnccn2 27a_100000185862_100000211759 [0,1,0,0,1,0|1,0,0]=3 4970 B15R2.29 Fc1ccc(cc1)Sc2ccccc2 62a_100000211213_100000041952 [0,1,0,0,1,0|2,0,0]=4 4971 B15R2.29 Fc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000211213 [0,1,0,0,1,0|2,0,0]=4 4972 B15R2.29 Fc1ccc(cc1)Sc2cccnc2 62a_100000210063_100000211213 [0,1,0,0,1,0|1,0,0]=3 4973 B15R2.29 Fc1ccc(cc1)Sc2cccnc2 62a_100000211213_100000210063 [0,1,0,0,1,0|1,0,0]=3 4974 B15R2.29 Fc1ccc(cc1)Sc2cccnn2 62a_100000211213_100016991348 [0,1,0,0,1,0|2,0,0]=4 4975 B15R2.29 Fc1ccc(cc1)Sc2cccnn2 62a_100016991348_100000211213 [0,1,0,0,1,0|2,0,0]=4 4976 B15R2.29 Fc1ccc(cc1)Sc2ccnnc2 62a_100000211213_100000732662 [0,1,0,0,1,0|2,0,0]=4 4977 B15R2.29 Fc1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000211213 [0,1,0,0,1,0|2,0,0]=4 4978 B15R2.29 Fc1ccc(cc1)Sc2cnccn2 62a_100000211213_100000211759 [0,1,0,0,1,0|2,0,0]=4 4979 B15R2.29 Fc1ccc(cc1)Sc2cnccn2 62a_100000211759_100000211213 [0,1,0,0,1,0|2,0,0]=4 4980 B15R2.29 Fc1ccc(cc1)Sc2cncnc2 62a_100000211213_100011206942 [0,1,0,0,1,0|2,0,0]=4 4981 B15R2.29 Fc1ccc(cc1)Sc2cncnc2 62a_100011206942_100000211213 [0,1,0,0,1,0|2,0,0]=4 4982 B15R2.29 Fc1ccc(cn1)Sc2ccccc2 62a_100000042367_100000041952 [0,1,0,0,1,0|1,0,0]=3 4983 B15R2.29 Fc1ccc(cn1)Sc2ccccc2 62a_100000719477_100000042367 [0,1,0,0,1,0|1,0,0]=3 4984 B15R2.29 Fc1ccc(cn1)Sc2ccccn2 62a_100000042367_100011216584 [0,1,0,0,1,0|2,0,0]=4 4985 B15R2.29 Fc1ccc(cn1)Sc2ccccn2 62a_100011216584_100000042367 [0,1,0,0,1,0|2,0,0]=4 4986 B15R2.29 Fc1ccc(cn1)Sc2cccnc2 62a_100000042367_100000210063 [0,1,0,0,1,0|2,0,0]=4 4987 B15R2.29 Fc1ccc(cn1)Sc2cccnc2 62a_100000210063_100000042367 [0,1,0,0,1,0|2,0,0]=4 4988 B15R2.29 Fc1ccc(cn1)Sc2ccncc2 62a_100000042367_100000728582 [0,1,0,0,1,0|2,0,0]=4 4989 B15R2.29 Fc1ccc(cn1)Sc2ccncc2 62a_100000728582_100000042367 [0,1,0,0,1,0|2,0,0]=4 4990 B15R2.29 Fc1ccc(nc1)Sc2cccnc2 62a_100000210063_100000744514 [0,1,0,0,1,0|2,0,0]=4 4991 B15R2.29 Fc1ccc(nc1)Sc2cccnc2 62a_100000744514_100000210063 [0,1,0,0,1,0|2,0,0]=4 4992 B15R2.29 Fc1cnc(cn1)Nc2ccccc2 27a_100000106764_100009856528 [0,1,0,0,1,0|1,0,0]=3 4993 B15R2.29 Fc1cnc(cn1)Sc2ccccc2 62a_100000719477_100009856528 [0,1,0,0,1,0|2,0,0]=4 4994 B15R2.29 Fc1cnc(cn1)Sc2ccccc2 62a_100009856528_100000041952 [0,1,0,0,1,0|2,0,0]=4 4995 B15R2.29 Fc1ncc(cn1)Sc2ccccc2 62a_100000685262_100000041952 [0,1,0,0,1,0|2,0,0]=4 4996 B15R2.29 Fc1ncc(cn1)Sc2ccccc2 62a_100000719477_100000685262 [0,1,0,0,1,0|2,0,0]=4 4997 B15R2.29 Ic1ccc(cc1)Nc2cccnn2 27a_100000185761_100016991348 [0,1,0,0,1,0|1,0,0]=3 4998 B15R2.29 Ic1ccc(cc1)Nc2cnccn2 27a_100000185761_100000211759 [0,1,0,0,1,0|1,0,0]=3 4999 B15R2.29 Nc1ccc(cc1)Sc2ccccc2 62a_100000185761_100000041952 [0,1,0,0,1,0|2,0,0]=4 5000 B15R2.29 Nc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000185761 [0,1,0,0,1,0|2,0,0]=4 5001 B15R2.29 Nc1ccc(cc1)Sc2cccnc2 62a_100000185761_100000210063 [0,1,0,0,1,0|1,0,0]=3 5002 B15R2.29 Nc1ccc(cc1)Sc2cccnc2 62a_100000210063_100000185761 [0,1,0,0,1,0|1,0,0]=3 5003 B15R2.29 Nc1ccc(cc1)Sc2cccnn2 62a_100000185761_100016991348 [0,1,0,0,1,0|2,0,0]=4 5004 B15R2.29 Nc1ccc(cc1)Sc2cccnn2 62a_100016991348_100000185761 [0,1,0,0,1,0|2,0,0]=4 5005 B15R2.29 Nc1ccc(cc1)Sc2ccnnc2 62a_100000185761_100000732662 [0,1,0,0,1,0|2,0,0]=4 5006 B15R2.29 Nc1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000185761 [0,1,0,0,1,0|2,0,0]=4 5007 B15R2.29 Nc1ccc(cc1)Sc2cnccn2 62a_100000185761_100000211759 [0,1,0,0,1,0|2,0,0]=4 5008 B15R2.29 Nc1ccc(cc1)Sc2cnccn2 62a_100000211759_100000185761 [0,1,0,0,1,0|2,0,0]=4 5009 B15R2.29 Nc1ccc(cc1)Sc2cncnc2 62a_100000185761_100011206942 [0,1,0,0,1,0|2,0,0]=4 5010 B15R2.29 Nc1ccc(cc1)Sc2cncnc2 62a_100011206942_100000185761 [0,1,0,0,1,0|2,0,0]=4 5011 B15R2.29 Nc1ccc(cn1)Sc2ccccc2 62a_100000187370_100000041952 [0,1,0,0,1,0|1,0,0]=3 5012 B15R2.29 Nc1ccc(cn1)Sc2ccccc2 62a_100000719477_100000187370 [0,1,0,0,1,0|1,0,0]=3 5013 B15R2.29 Nc1ccc(cn1)Sc2ccccn2 62a_100000187370_100011216584 [0,1,0,0,1,0|2,0,0]=4 5014 B15R2.29 Nc1ccc(cn1)Sc2ccccn2 62a_100011216584_100000187370 [0,1,0,0,1,0|2,0,0]=4 5015 B15R2.29 Nc1ccc(cn1)Sc2cccnc2 62a_100000187370_100000210063 [0,1,0,0,1,0|2,0,0]=4 5016 B15R2.29 Nc1ccc(cn1)Sc2cccnc2 62a_100000210063_100000187370 [0,1,0,0,1,0|2,0,0]=4 5017 B15R2.29 Nc1ccc(cn1)Sc2ccncc2 62a_100000187370_100000728582 [0,1,0,0,1,0|2,0,0]=4 5018 B15R2.29 Nc1ccc(cn1)Sc2ccncc2 62a_100000728582_100000187370 [0,1,0,0,1,0|2,0,0]=4 5019 B15R2.29 Nc1ccc(nc1)Sc2cccnc2 62a_100000210063_100000737798 [0,1,0,0,1,0|2,0,0]=4 5020 B15R2.29 Nc1ccc(nc1)Sc2cccnc2 62a_100000737798_100000210063 [0,1,0,0,1,0|2,0,0]=4 5021 B15R2.29 Nc1ccc(nn1)Sc2ccccc2 62a_100000719477_100010219413 [0,1,0,0,1,0|2,0,0]=4 5022 B15R2.29 Nc1ccc(nn1)Sc2ccccc2 62a_100010219413_100000041952 [0,1,0,0,1,0|2,0,0]=4 5023 B15R2.29 Nc1cnc(cn1)Sc2ccccc2 62a_100000719477_100000744751 [0,1,0,0,1,0|2,0,0]=4 5024 B15R2.29 Nc1cnc(cn1)Sc2ccccc2 62a_100000744751_100000041952 [0,1,0,0,1,0|2,0,0]=4 5025 B15R2.29 Nc1ncc(cn1)Sc2ccccc2 62a_100000719477_100000766020 [0,1,0,0,1,0|2,0,0]=4 5026 B15R2.29 Nc1ncc(cn1)Sc2ccccc2 62a_100000766020_100000041952 [0,1,0,0,1,0|2,0,0]=4 5027 B15R2.29 Nc1ncc(nn1)Nc2ccccc2 27a_100000106764_100000691435 [0,1,0,0,1,0|2,0,0]=4 5028 B15R2.29 O=c1ccc(c[nH]1)Sc2ccccc2 62a_100000212171_100000041952 [0,1,0,0,1,0|1,0,1]=4 5029 B15R2.29 O=c1ccc(c[nH]1)Sc2ccccc2 62a_100000719477_100000212171 [0,1,0,0,1,0|1,0,1]=4 5030 B15R2.29 O=c1ccc(c[nH]1)Sc2cccnc2 62a_100000210063_100000212171 [0,1,0,0,1,0|2,0,0]=4 5031 B15R2.29 O=c1ccc(c[nH]1)Sc2cccnc2 62a_100000212171_100000210063 [0,1,0,0,1,0|2,0,0]=4 5032 B15R2.29 O=c1ncc(c[nH]1)Sc2ccccc2 62a_100000719477_102495366499 [0,1,0,0,1,0|2,0,0]=4 5033 B15R2.29 O=c1ncc(c[nH]1)Sc2ccccc2 62a_102495366499_100000041952 [0,1,0,0,1,0|2,0,0]=4 5034 B15R2.29 Oc1cc[n+](cc1)Cc2ccccc2 271570a_203496583355_200011068538 [0,1,0,0,1,0|2,0,0]=4 5035 B15R2.29 Oc1ccc(cc1)Cc2ccccc2 271570a_203496583355_100011356940 [0,1,0,0,1,0|1,0,0]=3 5036 B15R2.29 Oc1ccc(cc1)Nc2ccccc2 271570a_203496583355_100009815781 [0,1,0,0,1,0|1,0,0]=3 5037 B15R2.29 Oc1ccc(cc1)Nc2cccnn2 27a_100000185829_100016991348 [0,1,0,0,1,0|1,0,0]=3 5038 B15R2.29 Oc1ccc(cc1)Nc2cnccn2 27a_100000185829_100000211759 [0,1,0,0,1,0|1,0,0]=3 5039 B15R2.29 Oc1ccc(cc1)Oc2ccccc2 271570a_203496583355_100011215699 [0,1,0,0,1,0|2,0,0]=4 5040 B15R2.29 Oc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000185759 [0,1,0,0,1,0|2,0,0]=4 5041 B15R2.29 Oc1ccc(cc1)Sc2cccnc2 62a_100000210063_100000185759 [0,1,0,0,1,0|1,0,0]=3 5042 B15R2.29 Oc1ccc(cc1)Sc2cccnn2 62a_100016991348_100000185759 [0,1,0,0,1,0|2,0,0]=4 5043 B15R2.29 Oc1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000185759 [0,1,0,0,1,0|2,0,0]=4 5044 B15R2.29 Oc1ccc(cc1)Sc2cnccn2 62a_100000211759_100000185759 [0,1,0,0,1,0|2,0,0]=4 5045 B15R2.29 Oc1ccc(cc1)Sc2cncnc2 62a_100011206942_100000185759 [0,1,0,0,1,0|2,0,0]=4 5046 B15R2.29 Oc1ccc(nc1)Sc2cccnc2 62a_100000210063_100000744096 [0,1,0,0,1,0|2,0,0]=4 5047 B15R2.29 Oc1ccc(nc1)Sc2cccnc2 62a_100000685995_100000210063 [0,1,0,0,1,0|2,0,0]=4 5048 B15R2.29 Oc1ccc(nn1)Nc2ccccc2 271570a_203496583355_200000215334 [0,1,0,0,1,0|1,0,0]=3 5049 B15R2.29 Oc1ccc(nn1)Oc2ccccc2 271570a_203496583355_200000215291 [0,1,0,0,1,0|2,0,0]=4 5050 B15R2.29 Oc1cnc(cn1)Sc2ccccc2 62a_100000719477_100015839800 [0,1,0,0,1,0|2,0,0]=4 5051 B15R2.29 Oc1cnc(cn1)Sc2ccccc2 62a_100011934580_100000041952 [0,1,0,0,1,0|2,0,0]=4 5052 B15R2.29 [O-][n+]1ccc(cc1)Sc2cccnc2 62a_100000210063_100000039755 [0,1,0,0,1,0|2,0,0]=4 5053 B15R2.31 Brc1cc(ccn1)Sc2cccnc2 62a_100000210063_100009814637 [0,1,0,0,1,0|2,0,0]=4 5054 B15R2.31 Brc1cc(ccn1)Sc2cccnc2 62a_100009814637_100000210063 [0,1,0,0,1,0|2,0,0]=4 5055 B15R2.31 Brc1cccc(c1)Nc2cccnn2 27a_100000210019_100016991348 [0,1,0,0,1,0|1,0,0]=3 5056 B15R2.31 Brc1cccc(c1)Nc2cnccn2 27a_100000210019_100000211759 [0,1,0,0,1,0|1,0,0]=3 5057 B15R2.31 Brc1cccc(c1)Sc2ccccc2 62a_100000691529_100000041952 [0,1,0,0,1,0|2,0,0]=4 5058 B15R2.31 Brc1cccc(c1)Sc2ccccc2 62a_100000719477_100000691529 [0,1,0,0,1,0|2,0,0]=4 5059 B15R2.31 Brc1cccc(c1)Sc2cccnc2 62a_100000210063_100000691529 [0,1,0,0,1,0|1,0,0]=3 5060 B15R2.31 Brc1cccc(c1)Sc2cccnc2 62a_100000691529_100000210063 [0,1,0,0,1,0|1,0,0]=3 5061 B15R2.31 Brc1cccc(c1)Sc2cccnn2 62a_100000691529_100016991348 [0,1,0,0,1,0|2,0,0]=4 5062 B15R2.31 Brc1cccc(c1)Sc2cccnn2 62a_100016991348_100000691529 [0,1,0,0,1,0|2,0,0]=4 5063 B15R2.31 Brc1cccc(c1)Sc2ccnnc2 62a_100000691529_100000732662 [0,1,0,0,1,0|2,0,0]=4 5064 B15R2.31 Brc1cccc(c1)Sc2ccnnc2 62a_100000732662_100000691529 [0,1,0,0,1,0|2,0,0]=4 5065 B15R2.31 Brc1cccc(c1)Sc2cnccn2 62a_100000211759_100000691529 [0,1,0,0,1,0|2,0,0]=4 5066 B15R2.31 Brc1cccc(c1)Sc2cnccn2 62a_100000691529_100000211759 [0,1,0,0,1,0|2,0,0]=4 5067 B15R2.31 Brc1cccc(c1)Sc2cncnc2 62a_100000691529_100011206942 [0,1,0,0,1,0|2,0,0]=4 5068 B15R2.31 Brc1cccc(c1)Sc2cncnc2 62a_100011206942_100000691529 [0,1,0,0,1,0|2,0,0]=4 5069 B15R2.31 Brc1cccc(n1)Sc2cccnc2 62a_100000210063_100000684672 [0,1,0,0,1,0|2,0,0]=4 5070 B15R2.31 Brc1cccc(n1)Sc2cccnc2 62a_100000684672_100000210063 [0,1,0,0,1,0|2,0,0]=4 5071 B15R2.31 Brc1cncc(c1)Sc2ccccc2 62a_100000719477_100000728054 [0,1,0,0,1,0|1,0,0]=3 5072 B15R2.31 Brc1cncc(c1)Sc2ccccc2 62a_100000728054_100000041952 [0,1,0,0,1,0|1,0,0]=3 5073 B15R2.31 Brc1cncc(c1)Sc2ccccn2 62a_100000728054_100011216584 [0,1,0,0,1,0|2,0,0]=4 5074 B15R2.31 Brc1cncc(c1)Sc2ccccn2 62a_100011216584_100000728054 [0,1,0,0,1,0|2,0,0]=4 5075 B15R2.31 Brc1cncc(c1)Sc2cccnc2 62a_100000210063_100000728054 [0,1,0,0,1,0|2,0,0]=4 5076 B15R2.31 Brc1cncc(c1)Sc2cccnc2 62a_100000728054_100000210063 [0,1,0,0,1,0|2,0,0]=4 5077 B15R2.31 Brc1cncc(c1)Sc2ccncc2 62a_100000728054_100000728582 [0,1,0,0,1,0|2,0,0]=4 5078 B15R2.31 Brc1cncc(c1)Sc2ccncc2 62a_100000728582_100000728054 [0,1,0,0,1,0|2,0,0]=4 5079 B15R2.31 C[n+]1cccc(c1)Sc2ccccc2 62a_100000719477_100009996589 [0,1,0,0,1,0|1,0,1]=4 5080 B15R2.31 C[n+]1cccc(c1)Sc2ccccc2 62a_100009996589_100000041952 [0,1,0,0,1,0|1,0,1]=4 5081 B15R2.31 C[n+]1cccc(c1)Sc2cccnc2 62a_100000210063_100009996589 [0,1,0,0,1,0|2,0,0]=4 5082 B15R2.31 C[n+]1cccc(c1)Sc2cccnc2 62a_100009996589_100000210063 [0,1,0,0,1,0|2,0,0]=4 5083 B15R2.31 Cc1cc(ccn1)Nc2ccccc2 27a_100000106764_100000758586 [0,1,0,0,1,0|2,0,0]=4 5084 B15R2.31 Cc1cc(ccn1)Sc2cccnc2 62a_100000210063_100000758586 [0,1,0,0,1,0|2,0,0]=4 5085 B15R2.31 Cc1cc(ccn1)Sc2cccnc2 62a_100000758586_100000210063 [0,1,0,0,1,0|2,0,0]=4 5086 B15R2.31 Cc1cccc(c1)Nc2cccnn2 27a_100000188690_100016991348 [0,1,0,0,1,0|1,0,0]=3 5087 B15R2.31 Cc1cccc(c1)Nc2cnccn2 27a_100000188690_100000211759 [0,1,0,0,1,0|1,0,0]=3 5088 B15R2.31 Cc1cccc(c1)Sc2ccccc2 62a_100000719477_100011215228 [0,1,0,0,1,0|2,0,0]=4 5089 B15R2.31 Cc1cccc(c1)Sc2ccccc2 62a_100011215228_100000041952 [0,1,0,0,1,0|2,0,0]=4 5090 B15R2.31 Cc1cccc(c1)Sc2cccnc2 62a_100000210063_100011215228 [0,1,0,0,1,0|1,0,0]=3 5091 B15R2.31 Cc1cccc(c1)Sc2cccnc2 62a_100011215228_100000210063 [0,1,0,0,1,0|1,0,0]=3 5092 B15R2.31 Cc1cccc(c1)Sc2cccnn2 62a_100011215228_100016991348 [0,1,0,0,1,0|2,0,0]=4 5093 B15R2.31 Cc1cccc(c1)Sc2cccnn2 62a_100016991348_100011215228 [0,1,0,0,1,0|2,0,0]=4 5094 B15R2.31 Cc1cccc(c1)Sc2ccnnc2 62a_100000732662_100011215228 [0,1,0,0,1,0|2,0,0]=4 5095 B15R2.31 Cc1cccc(c1)Sc2ccnnc2 62a_100011215228_100000732662 [0,1,0,0,1,0|2,0,0]=4 5096 B15R2.31 Cc1cccc(c1)Sc2cnccn2 62a_100000211759_100011215228 [0,1,0,0,1,0|2,0,0]=4 5097 B15R2.31 Cc1cccc(c1)Sc2cnccn2 62a_100011215228_100000211759 [0,1,0,0,1,0|2,0,0]=4 5098 B15R2.31 Cc1cccc(c1)Sc2cncnc2 62a_100011206942_100011215228 [0,1,0,0,1,0|2,0,0]=4 5099 B15R2.31 Cc1cccc(c1)Sc2cncnc2 62a_100011215228_100011206942 [0,1,0,0,1,0|2,0,0]=4 5100 B15R2.31 Cc1cccc(n1)Sc2cccnc2 62a_100000210063_100000742759 [0,1,0,0,1,0|2,0,0]=4 5101 B15R2.31 Cc1cccc(n1)Sc2cccnc2 62a_100000742759_100000210063 [0,1,0,0,1,0|2,0,0]=4 5102 B15R2.31 Cc1ccnc(c1)Sc2cccnc2 62a_100000210063_100000750283 [0,1,0,0,1,0|2,0,0]=4 5103 B15R2.31 Cc1ccnc(c1)Sc2cccnc2 62a_100000750283_100000210063 [0,1,0,0,1,0|2,0,0]=4 5104 B15R2.31 Cc1cncc(c1)Sc2ccccc2 62a_100000719477_100000760492 [0,1,0,0,1,0|1,0,0]=3 5105 B15R2.31 Cc1cncc(c1)Sc2ccccc2 62a_100000760492_100000041952 [0,1,0,0,1,0|1,0,0]=3 5106 B15R2.31 Cc1cncc(c1)Sc2ccccn2 62a_100000760492_100011216584 [0,1,0,0,1,0|2,0,0]=4 5107 B15R2.31 Cc1cncc(c1)Sc2ccccn2 62a_100011216584_100000760492 [0,1,0,0,1,0|2,0,0]=4 5108 B15R2.31 Cc1cncc(c1)Sc2cccnc2 62a_100000210063_100000760492 [0,1,0,0,1,0|2,0,0]=4 5109 B15R2.31 Cc1cncc(c1)Sc2cccnc2 62a_100000760492_100000210063 [0,1,0,0,1,0|2,0,0]=4 5110 B15R2.31 Cc1cncc(c1)Sc2ccncc2 62a_100000728582_100000760492 [0,1,0,0,1,0|2,0,0]=4 5111 B15R2.31 Cc1cncc(c1)Sc2ccncc2 62a_100000760492_100000728582 [0,1,0,0,1,0|2,0,0]=4 5112 B15R2.31 Cc1cncc(n1)Nc2ccccc2 27a_100000106764_100000754123 [0,1,0,0,1,0|1,0,0]=3 5113 B15R2.31 Cc1cncc(n1)Sc2ccccc2 62a_100000719477_100000754123 [0,1,0,0,1,0|2,0,0]=4 5114 B15R2.31 Cc1cncc(n1)Sc2ccccc2 62a_100000754123_100000041952 [0,1,0,0,1,0|2,0,0]=4 5115 B15R2.31 Cc1cnnc(c1)Nc2ccccc2 27a_100000106764_100000070100 [0,1,0,0,1,0|1,0,0]=3 5116 B15R2.31 Cc1cnnc(c1)Sc2ccccc2 62a_100000070100_100000041952 [0,1,0,0,1,0|2,0,0]=4 5117 B15R2.31 Cc1cnnc(c1)Sc2ccccc2 62a_100000719477_100000070100 [0,1,0,0,1,0|2,0,0]=4 5118 B15R2.31 Clc1cc(ccn1)Sc2cccnc2 62a_100000035001_100000210063 [0,1,0,0,1,0|2,0,0]=4 5119 B15R2.31 Clc1cc(ccn1)Sc2cccnc2 62a_100000210063_100000035001 [0,1,0,0,1,0|2,0,0]=4 5120 B15R2.31 Clc1cccc(c1)Nc2cccnn2 27a_100000185859_100016991348 [0,1,0,0,1,0|1,0,0]=3 5121 B15R2.31 Clc1cccc(c1)Nc2cnccn2 27a_100000185859_100000211759 [0,1,0,0,1,0|1,0,0]=3 5122 B15R2.31 Clc1cccc(c1)Sc2ccccc2 62a_100000699651_100000041952 [0,1,0,0,1,0|2,0,0]=4 5123 B15R2.31 Clc1cccc(c1)Sc2ccccc2 62a_100000719477_100000699651 [0,1,0,0,1,0|2,0,0]=4 5124 B15R2.31 Clc1cccc(c1)Sc2cccnc2 62a_100000210063_100000699651 [0,1,0,0,1,0|1,0,0]=3 5125 B15R2.31 Clc1cccc(c1)Sc2cccnc2 62a_100000699651_100000210063 [0,1,0,0,1,0|1,0,0]=3 5126 B15R2.31 Clc1cccc(c1)Sc2cccnn2 62a_100000699651_100016991348 [0,1,0,0,1,0|2,0,0]=4 5127 B15R2.31 Clc1cccc(c1)Sc2cccnn2 62a_100016991348_100000699651 [0,1,0,0,1,0|2,0,0]=4 5128 B15R2.31 Clc1cccc(c1)Sc2ccnnc2 62a_100000699651_100000732662 [0,1,0,0,1,0|2,0,0]=4 5129 B15R2.31 Clc1cccc(c1)Sc2ccnnc2 62a_100000732662_100000699651 [0,1,0,0,1,0|2,0,0]=4 5130 B15R2.31 Clc1cccc(c1)Sc2cnccn2 62a_100000211759_100000699651 [0,1,0,0,1,0|2,0,0]=4 5131 B15R2.31 Clc1cccc(c1)Sc2cnccn2 62a_100000699651_100000211759 [0,1,0,0,1,0|2,0,0]=4 5132 B15R2.31 Clc1cccc(c1)Sc2cncnc2 62a_100000699651_100011206942 [0,1,0,0,1,0|2,0,0]=4 5133 B15R2.31 Clc1cccc(c1)Sc2cncnc2 62a_100011206942_100000699651 [0,1,0,0,1,0|2,0,0]=4 5134 B15R2.31 Clc1cccc(n1)Sc2cccnc2 62a_100000051397_100000210063 [0,1,0,0,1,0|2,0,0]=4 5135 B15R2.31 Clc1cccc(n1)Sc2cccnc2 62a_100000210063_100000051397 [0,1,0,0,1,0|2,0,0]=4 5136 B15R2.31 Clc1ccnc(c1)Sc2cccnc2 62a_100000210063_100010167805 [0,1,0,0,1,0|2,0,0]=4 5137 B15R2.31 Clc1ccnc(c1)Sc2cccnc2 62a_100010167805_100000210063 [0,1,0,0,1,0|2,0,0]=4 5138 B15R2.31 Clc1cncc(c1)Sc2ccccc2 62a_100000049639_100000041952 [0,1,0,0,1,0|1,0,0]=3 5139 B15R2.31 Clc1cncc(c1)Sc2ccccc2 62a_100000719477_100000049639 [0,1,0,0,1,0|1,0,0]=3 5140 B15R2.31 Clc1cncc(c1)Sc2ccccn2 62a_100000049639_100011216584 [0,1,0,0,1,0|2,0,0]=4 5141 B15R2.31 Clc1cncc(c1)Sc2ccccn2 62a_100011216584_100000049639 [0,1,0,0,1,0|2,0,0]=4 5142 B15R2.31 Clc1cncc(c1)Sc2cccnc2 62a_100000049639_100000210063 [0,1,0,0,1,0|2,0,0]=4 5143 B15R2.31 Clc1cncc(c1)Sc2cccnc2 62a_100000210063_100000049639 [0,1,0,0,1,0|2,0,0]=4 5144 B15R2.31 Clc1cncc(c1)Sc2ccncc2 62a_100000049639_100000728582 [0,1,0,0,1,0|2,0,0]=4 5145 B15R2.31 Clc1cncc(c1)Sc2ccncc2 62a_100000728582_100000049639 [0,1,0,0,1,0|2,0,0]=4 5146 B15R2.31 Clc1cncc(n1)Nc2ccccc2 27a_100000106764_100010892449 [0,1,0,0,1,0|1,0,0]=3 5147 B15R2.31 Clc1cncc(n1)Sc2ccccc2 62a_100000719477_100010892449 [0,1,0,0,1,0|2,0,0]=4 5148 B15R2.31 Clc1cncc(n1)Sc2ccccc2 62a_100010892449_100000041952 [0,1,0,0,1,0|2,0,0]=4 5149 B15R2.31 Fc1cc(ccn1)Nc2ccccc2 27a_100000106764_100009816116 [0,1,0,0,1,0|2,0,0]=4 5150 B15R2.31 Fc1cc(ccn1)Sc2cccnc2 62a_100000210063_100009816116 [0,1,0,0,1,0|2,0,0]=4 5151 B15R2.31 Fc1cc(ccn1)Sc2cccnc2 62a_100009816116_100000210063 [0,1,0,0,1,0|2,0,0]=4 5152 B15R2.31 Fc1cccc(c1)Nc2cccnn2 27a_100000210047_100016991348 [0,1,0,0,1,0|1,0,0]=3 5153 B15R2.31 Fc1cccc(c1)Nc2cnccn2 27a_100000210047_100000211759 [0,1,0,0,1,0|1,0,0]=3 5154 B15R2.31 Fc1cccc(c1)Sc2ccccc2 62a_100000685547_100000041952 [0,1,0,0,1,0|2,0,0]=4 5155 B15R2.31 Fc1cccc(c1)Sc2ccccc2 62a_100000719477_100000685547 [0,1,0,0,1,0|2,0,0]=4 5156 B15R2.31 Fc1cccc(c1)Sc2cccnc2 62a_100000210063_100000685547 [0,1,0,0,1,0|1,0,0]=3 5157 B15R2.31 Fc1cccc(c1)Sc2cccnc2 62a_100000685547_100000210063 [0,1,0,0,1,0|1,0,0]=3 5158 B15R2.31 Fc1cccc(c1)Sc2cccnn2 62a_100000685547_100016991348 [0,1,0,0,1,0|2,0,0]=4 5159 B15R2.31 Fc1cccc(c1)Sc2cccnn2 62a_100016991348_100000685547 [0,1,0,0,1,0|2,0,0]=4 5160 B15R2.31 Fc1cccc(c1)Sc2ccnnc2 62a_100000685547_100000732662 [0,1,0,0,1,0|2,0,0]=4 5161 B15R2.31 Fc1cccc(c1)Sc2ccnnc2 62a_100000732662_100000685547 [0,1,0,0,1,0|2,0,0]=4 5162 B15R2.31 Fc1cccc(c1)Sc2cnccn2 62a_100000211759_100000685547 [0,1,0,0,1,0|2,0,0]=4 5163 B15R2.31 Fc1cccc(c1)Sc2cnccn2 62a_100000685547_100000211759 [0,1,0,0,1,0|2,0,0]=4 5164 B15R2.31 Fc1cccc(c1)Sc2cncnc2 62a_100000685547_100011206942 [0,1,0,0,1,0|2,0,0]=4 5165 B15R2.31 Fc1cccc(c1)Sc2cncnc2 62a_100011206942_100000685547 [0,1,0,0,1,0|2,0,0]=4 5166 B15R2.31 Fc1cccc(n1)Nc2ccccc2 27a_100000106764_100009815982 [0,1,0,0,1,0|2,0,0]=4 5167 B15R2.31 Fc1cccc(n1)Sc2cccnc2 62a_100000210063_100009815982 [0,1,0,0,1,0|2,0,0]=4 5168 B15R2.31 Fc1cccc(n1)Sc2cccnc2 62a_100009815982_100000210063 [0,1,0,0,1,0|2,0,0]=4 5169 B15R2.31 Fc1ccnc(c1)Nc2ccccc2 27a_100000106764_100000764206 [0,1,0,0,1,0|2,0,0]=4 5170 B15R2.31 Fc1ccnc(c1)Sc2cccnc2 62a_100000210063_100000764206 [0,1,0,0,1,0|2,0,0]=4 5171 B15R2.31 Fc1ccnc(c1)Sc2cccnc2 62a_100000764206_100000210063 [0,1,0,0,1,0|2,0,0]=4 5172 B15R2.31 Fc1cncc(c1)Sc2ccccc2 62a_100000719477_100000744099 [0,1,0,0,1,0|1,0,0]=3 5173 B15R2.31 Fc1cncc(c1)Sc2ccccc2 62a_100000744099_100000041952 [0,1,0,0,1,0|1,0,0]=3 5174 B15R2.31 Fc1cncc(c1)Sc2ccccn2 62a_100000744099_100011216584 [0,1,0,0,1,0|2,0,0]=4 5175 B15R2.31 Fc1cncc(c1)Sc2ccccn2 62a_100011216584_100000744099 [0,1,0,0,1,0|2,0,0]=4 5176 B15R2.31 Fc1cncc(c1)Sc2cccnc2 62a_100000210063_100000744099 [0,1,0,0,1,0|2,0,0]=4 5177 B15R2.31 Fc1cncc(c1)Sc2cccnc2 62a_100000744099_100000210063 [0,1,0,0,1,0|2,0,0]=4 5178 B15R2.31 Fc1cncc(c1)Sc2ccncc2 62a_100000728582_100000744099 [0,1,0,0,1,0|2,0,0]=4 5179 B15R2.31 Fc1cncc(c1)Sc2ccncc2 62a_100000744099_100000728582 [0,1,0,0,1,0|2,0,0]=4 5180 B15R2.31 Fc1cncc(n1)Nc2ccccc2 27a_100000106764_200009863489 [0,1,0,0,1,0|1,0,0]=3 5181 B15R2.31 Fc1cncc(n1)Sc2ccccc2 62a_100000719477_200009863489 [0,1,0,0,1,0|2,0,0]=4 5182 B15R2.31 Fc1cncc(n1)Sc2ccccc2 62a_200009863489_100000041952 [0,1,0,0,1,0|2,0,0]=4 5183 B15R2.31 Ic1cccc(c1)Nc2cccnn2 27a_100000211102_100016991348 [0,1,0,0,1,0|1,0,0]=3 5184 B15R2.31 Ic1cccc(c1)Nc2cnccn2 27a_100000211102_100000211759 [0,1,0,0,1,0|1,0,0]=3 5185 B15R2.31 Nc1cc(ccn1)Sc2cccnc2 62a_100000049665_100000210063 [0,1,0,0,1,0|2,0,0]=4 5186 B15R2.31 Nc1cc(ccn1)Sc2cccnc2 62a_100000210063_100000049665 [0,1,0,0,1,0|2,0,0]=4 5187 B15R2.31 Nc1cc(cnn1)Sc2ccccc2 62a_100000130277_100000041952 [0,1,0,0,1,0|2,0,0]=4 5188 B15R2.31 Nc1cc(cnn1)Sc2ccccc2 62a_100000719477_100000130277 [0,1,0,0,1,0|2,0,0]=4 5189 B15R2.31 Nc1cccc(c1)Sc2ccccc2 62a_100000210019_100000041952 [0,1,0,0,1,0|2,0,0]=4 5190 B15R2.31 Nc1cccc(c1)Sc2ccccc2 62a_100000719477_100000210019 [0,1,0,0,1,0|2,0,0]=4 5191 B15R2.31 Nc1cccc(c1)Sc2cccnc2 62a_100000210019_100000210063 [0,1,0,0,1,0|1,0,0]=3 5192 B15R2.31 Nc1cccc(c1)Sc2cccnc2 62a_100000210063_100000210019 [0,1,0,0,1,0|1,0,0]=3 5193 B15R2.31 Nc1cccc(c1)Sc2cccnn2 62a_100000210019_100016991348 [0,1,0,0,1,0|2,0,0]=4 5194 B15R2.31 Nc1cccc(c1)Sc2cccnn2 62a_100016991348_100000210019 [0,1,0,0,1,0|2,0,0]=4 5195 B15R2.31 Nc1cccc(c1)Sc2ccnnc2 62a_100000210019_100000732662 [0,1,0,0,1,0|2,0,0]=4 5196 B15R2.31 Nc1cccc(c1)Sc2ccnnc2 62a_100000732662_100000210019 [0,1,0,0,1,0|2,0,0]=4 5197 B15R2.31 Nc1cccc(c1)Sc2cnccn2 62a_100000210019_100000211759 [0,1,0,0,1,0|2,0,0]=4 5198 B15R2.31 Nc1cccc(c1)Sc2cnccn2 62a_100000211759_100000210019 [0,1,0,0,1,0|2,0,0]=4 5199 B15R2.31 Nc1cccc(c1)Sc2cncnc2 62a_100000210019_100011206942 [0,1,0,0,1,0|2,0,0]=4 5200 B15R2.31 Nc1cccc(c1)Sc2cncnc2 62a_100011206942_100000210019 [0,1,0,0,1,0|2,0,0]=4 5201 B15R2.31 Nc1cccc(n1)Sc2cccnc2 62a_100000210063_100000740741 [0,1,0,0,1,0|2,0,0]=4 5202 B15R2.31 Nc1cccc(n1)Sc2cccnc2 62a_100000740741_100000210063 [0,1,0,0,1,0|2,0,0]=4 5203 B15R2.31 Nc1ccnc(c1)Sc2cccnc2 62a_100000210063_100009814236 [0,1,0,0,1,0|2,0,0]=4 5204 B15R2.31 Nc1ccnc(c1)Sc2cccnc2 62a_100009814236_100000210063 [0,1,0,0,1,0|2,0,0]=4 5205 B15R2.31 Nc1cncc(c1)Sc2ccccc2 62a_100000687067_100000041952 [0,1,0,0,1,0|1,0,0]=3 5206 B15R2.31 Nc1cncc(c1)Sc2ccccc2 62a_100000719477_100000687067 [0,1,0,0,1,0|1,0,0]=3 5207 B15R2.31 Nc1cncc(c1)Sc2ccccn2 62a_100000687067_100011216584 [0,1,0,0,1,0|2,0,0]=4 5208 B15R2.31 Nc1cncc(c1)Sc2ccccn2 62a_100011216584_100000687067 [0,1,0,0,1,0|2,0,0]=4 5209 B15R2.31 Nc1cncc(c1)Sc2cccnc2 62a_100000210063_100000687067 [0,1,0,0,1,0|2,0,0]=4 5210 B15R2.31 Nc1cncc(c1)Sc2cccnc2 62a_100000687067_100000210063 [0,1,0,0,1,0|2,0,0]=4 5211 B15R2.31 Nc1cncc(c1)Sc2ccncc2 62a_100000687067_100000728582 [0,1,0,0,1,0|2,0,0]=4 5212 B15R2.31 Nc1cncc(c1)Sc2ccncc2 62a_100000728582_100000687067 [0,1,0,0,1,0|2,0,0]=4 5213 B15R2.31 Nc1cncc(n1)Sc2ccccc2 62a_100000719477_100000747728 [0,1,0,0,1,0|2,0,0]=4 5214 B15R2.31 Nc1cncc(n1)Sc2ccccc2 62a_100000747728_100000041952 [0,1,0,0,1,0|2,0,0]=4 5215 B15R2.31 Nc1cnnc(c1)Sc2ccccc2 62a_100000719477_100011996757 [0,1,0,0,1,0|2,0,0]=4 5216 B15R2.31 Nc1cnnc(c1)Sc2ccccc2 62a_100011996757_100000041952 [0,1,0,0,1,0|2,0,0]=4 5217 B15R2.31 O=c1cc(cc[nH]1)Nc2ccccc2 27a_100000106764_100000061649 [0,1,0,0,1,0|2,0,0]=4 5218 B15R2.31 O=c1cc(cc[nH]1)Sc2cccnc2 62a_100000210063_100009816521 [0,1,0,0,1,0|2,0,0]=4 5219 B15R2.31 O=c1cc(cc[nH]1)Sc2cccnc2 62a_100009816521_100000210063 [0,1,0,0,1,0|2,0,0]=4 5220 B15R2.31 O=c1cc(cn[nH]1)Sc2ccccc2 62a_100000719477_100010197405 [0,1,0,0,1,0|2,0,0]=4 5221 B15R2.31 O=c1cc[nH]c(c1)Sc2cccnc2 62a_100009817434_100000210063 [0,1,0,0,1,0|2,0,0]=4 5222 B15R2.31 O=c1cccc([nH]1)Sc2cccnc2 62a_100000210063_100000752884 [0,1,0,0,1,0|2,0,0]=4 5223 B15R2.31 Oc1ccc[n+](c1)Cc2ccccc2 271570a_203496583355_200009812568 [0,1,0,0,1,0|2,0,0]=4 5224 B15R2.31 Oc1cccc(c1)Nc2ccccc2 271570a_203496583355_100000701362 [0,1,0,0,1,0|1,0,0]=3 5225 B15R2.31 Oc1cccc(c1)Nc2cccnn2 27a_100000210217_100016991348 [0,1,0,0,1,0|1,0,0]=3 5226 B15R2.31 Oc1cccc(c1)Nc2cnccn2 27a_100000210217_100000211759 [0,1,0,0,1,0|1,0,0]=3 5227 B15R2.31 Oc1cccc(c1)Oc2ccccc2 271570a_203496583355_100009814285 [0,1,0,0,1,0|2,0,0]=4 5228 B15R2.31 Oc1cccc(c1)Sc2ccccc2 62a_100000719477_100000211634 [0,1,0,0,1,0|2,0,0]=4 5229 B15R2.31 Oc1cccc(c1)Sc2cccnc2 62a_100000210063_100000211634 [0,1,0,0,1,0|1,0,0]=3 5230 B15R2.31 Oc1cccc(c1)Sc2cccnn2 62a_100016991348_100000211634 [0,1,0,0,1,0|2,0,0]=4 5231 B15R2.31 Oc1cccc(c1)Sc2ccnnc2 62a_100000732662_100000211634 [0,1,0,0,1,0|2,0,0]=4 5232 B15R2.31 Oc1cccc(c1)Sc2cnccn2 62a_100000211759_100000211634 [0,1,0,0,1,0|2,0,0]=4 5233 B15R2.31 Oc1cccc(c1)Sc2cncnc2 62a_100011206942_100000211634 [0,1,0,0,1,0|2,0,0]=4 5234 B15R2.31 Oc1ccnc(c1)Sc2cccnc2 62a_100000210063_100000762945 [0,1,0,0,1,0|2,0,0]=4 5235 B15R2.31 Oc1cncc(c1)Cc2ccccc2 271570a_203496583355_200010295753 [0,1,0,0,1,0|0,0,0]=2 5236 B15R2.31 Oc1cncc(c1)Oc2ccccc2 271570a_203496583355_100012359384 [0,1,0,0,1,0|1,0,0]=3 5237 B15R2.31 Oc1cncc(c1)Sc2ccccc2 62a_100000719477_100000754920 [0,1,0,0,1,0|1,0,0]=3 5238 B15R2.31 Oc1cncc(c1)Sc2ccccc2 62a_100000754920_100000041952 [0,1,0,0,1,0|1,0,0]=3 5239 B15R2.31 Oc1cncc(c1)Sc2ccccn2 62a_100000754920_100011216584 [0,1,0,0,1,0|2,0,0]=4 5240 B15R2.31 Oc1cncc(c1)Sc2ccccn2 62a_100011216584_100000754920 [0,1,0,0,1,0|2,0,0]=4 5241 B15R2.31 Oc1cncc(c1)Sc2cccnc2 62a_100000210063_100000754920 [0,1,0,0,1,0|2,0,0]=4 5242 B15R2.31 Oc1cncc(c1)Sc2cccnc2 62a_100000754920_100000210063 [0,1,0,0,1,0|2,0,0]=4 5243 B15R2.31 Oc1cncc(c1)Sc2ccncc2 62a_100000728582_100000754920 [0,1,0,0,1,0|2,0,0]=4 5244 B15R2.31 Oc1cncc(c1)Sc2ccncc2 62a_100000754920_100000728582 [0,1,0,0,1,0|2,0,0]=4 5245 B15R2.31 Oc1cncc(n1)Oc2ccccc2 271570a_203496583355_200011210009 [0,1,0,0,1,0|2,0,0]=4 5246 B15R2.31 Oc1cncc(n1)Sc2ccccc2 62a_100000719477_100011269956 [0,1,0,0,1,0|2,0,0]=4 5247 B15R2.31 Oc1cnnc(c1)Sc2ccccc2 62a_100000719477_200010734679 [0,1,0,0,1,0|2,0,0]=4 5248 B15R2.31 [O-][n+]1cccc(c1)Sc2ccccc2 62a_100000719477_100009815978 [0,1,0,0,1,0|1,0,1]=4 5249 B15R2.31 [O-][n+]1cccc(c1)Sc2cccnc2 62a_100000210063_100009815978 [0,1,0,0,1,0|2,0,0]=4 5250 B15R2.31 [O-][n+]1ccnc(c1)Nc2ccccc2 27a_100000106764_100009880115 [0,1,0,0,1,0|1,0,1]=4 5251 B15R2.31 [S]c1cccc(c1)Sc2ccccc2 62a_100000719477_114929384022 [0,1,0,0,1,0|2,0,0]=4 5252 B15R2.31 [S]c1cccc(c1)Sc2ccccc2 62a_114929384022_100000041952 [0,1,0,0,1,0|2,0,0]=4 5253 B15R2.31 [S]c1cccc(c1)Sc2cccnc2 62a_100000210063_114929384022 [0,1,0,0,1,0|1,0,0]=3 5254 B15R2.31 [S]c1cccc(c1)Sc2cccnc2 62a_114929384022_100000210063 [0,1,0,0,1,0|1,0,0]=3 5255 B15R2.31 [S]c1cccc(c1)Sc2cccnn2 62a_100016991348_114929384022 [0,1,0,0,1,0|2,0,0]=4 5256 B15R2.31 [S]c1cccc(c1)Sc2cccnn2 62a_114929384022_100016991348 [0,1,0,0,1,0|2,0,0]=4 5257 B15R2.31 [S]c1cccc(c1)Sc2ccnnc2 62a_100000732662_114929384022 [0,1,0,0,1,0|2,0,0]=4 5258 B15R2.31 [S]c1cccc(c1)Sc2ccnnc2 62a_114929384022_100000732662 [0,1,0,0,1,0|2,0,0]=4 5259 B15R2.31 [S]c1cccc(c1)Sc2cnccn2 62a_100000211759_114929384022 [0,1,0,0,1,0|2,0,0]=4 5260 B15R2.31 [S]c1cccc(c1)Sc2cnccn2 62a_114929384022_100000211759 [0,1,0,0,1,0|2,0,0]=4 5261 B15R2.31 [S]c1cccc(c1)Sc2cncnc2 62a_100011206942_114929384022 [0,1,0,0,1,0|2,0,0]=4 5262 B15R2.31 [S]c1cccc(c1)Sc2cncnc2 62a_114929384022_100011206942 [0,1,0,0,1,0|2,0,0]=4 5263 B15R2.38 Brc1ccccc1Sc2ccccc2 62a_100000695589_100000041952 [0,1,0,0,1,0|2,0,0]=4 5264 B15R2.38 Brc1ccccc1Sc2ccccc2 62a_100000719477_100000695589 [0,1,0,0,1,0|2,0,0]=4 5265 B15R2.38 Brc1ccccc1Sc2cccnc2 62a_100000210063_100000695589 [0,1,0,0,1,0|1,0,0]=3 5266 B15R2.38 Brc1ccccc1Sc2cccnc2 62a_100000695589_100000210063 [0,1,0,0,1,0|1,0,0]=3 5267 B15R2.38 Brc1ccccc1Sc2cccnn2 62a_100000695589_100016991348 [0,1,0,0,1,0|2,0,0]=4 5268 B15R2.38 Brc1ccccc1Sc2cccnn2 62a_100016991348_100000695589 [0,1,0,0,1,0|2,0,0]=4 5269 B15R2.38 Brc1ccccc1Sc2ccnnc2 62a_100000695589_100000732662 [0,1,0,0,1,0|2,0,0]=4 5270 B15R2.38 Brc1ccccc1Sc2ccnnc2 62a_100000732662_100000695589 [0,1,0,0,1,0|2,0,0]=4 5271 B15R2.38 Brc1ccccc1Sc2cnccn2 62a_100000211759_100000695589 [0,1,0,0,1,0|2,0,0]=4 5272 B15R2.38 Brc1ccccc1Sc2cnccn2 62a_100000695589_100000211759 [0,1,0,0,1,0|2,0,0]=4 5273 B15R2.38 Brc1ccccc1Sc2cncnc2 62a_100000695589_100011206942 [0,1,0,0,1,0|2,0,0]=4 5274 B15R2.38 Brc1ccccc1Sc2cncnc2 62a_100011206942_100000695589 [0,1,0,0,1,0|2,0,0]=4 5275 B15R2.38 Brc1cccnc1Nc2ccccc2 27a_100000106764_100000696092 [0,1,0,0,1,0|2,0,0]=4 5276 B15R2.38 Brc1cccnc1Sc2cccnc2 62a_100000210063_100000696092 [0,1,0,0,1,0|2,0,0]=4 5277 B15R2.38 Brc1cccnc1Sc2cccnc2 62a_100000696092_100000210063 [0,1,0,0,1,0|2,0,0]=4 5278 B15R2.38 Brc1ccncc1Sc2ccccc2 62a_100000719477_100010138639 [0,1,0,0,1,0|1,0,0]=3 5279 B15R2.38 Brc1ccncc1Sc2ccccc2 62a_100010138639_100000041952 [0,1,0,0,1,0|1,0,0]=3 5280 B15R2.38 Brc1ccncc1Sc2ccccn2 62a_100010138639_100011216584 [0,1,0,0,1,0|2,0,0]=4 5281 B15R2.38 Brc1ccncc1Sc2ccccn2 62a_100011216584_100010138639 [0,1,0,0,1,0|2,0,0]=4 5282 B15R2.38 Brc1ccncc1Sc2cccnc2 62a_100000210063_100010138639 [0,1,0,0,1,0|2,0,0]=4 5283 B15R2.38 Brc1ccncc1Sc2cccnc2 62a_100010138639_100000210063 [0,1,0,0,1,0|2,0,0]=4 5284 B15R2.38 Brc1ccncc1Sc2ccncc2 62a_100000728582_100010138639 [0,1,0,0,1,0|2,0,0]=4 5285 B15R2.38 Brc1ccncc1Sc2ccncc2 62a_100010138639_100000728582 [0,1,0,0,1,0|2,0,0]=4 5286 B15R2.38 Brc1cnccc1Nc2ccccc2 27a_100000106764_100000726257 [0,1,0,0,1,0|2,0,0]=4 5287 B15R2.38 Brc1cnccc1Sc2cccnc2 62a_100000210063_100000726257 [0,1,0,0,1,0|2,0,0]=4 5288 B15R2.38 Brc1cnccc1Sc2cccnc2 62a_100000726257_100000210063 [0,1,0,0,1,0|2,0,0]=4 5289 B15R2.38 Brc1ncccc1Sc2ccccc2 62a_100000719477_100010202626 [0,1,0,0,1,0|1,0,0]=3 5290 B15R2.38 Brc1ncccc1Sc2ccccc2 62a_100010202626_100000041952 [0,1,0,0,1,0|1,0,0]=3 5291 B15R2.38 Brc1ncccc1Sc2ccccn2 62a_100010202626_100011216584 [0,1,0,0,1,0|2,0,0]=4 5292 B15R2.38 Brc1ncccc1Sc2ccccn2 62a_100011216584_100010202626 [0,1,0,0,1,0|2,0,0]=4 5293 B15R2.38 Brc1ncccc1Sc2cccnc2 62a_100000210063_100010202626 [0,1,0,0,1,0|2,0,0]=4 5294 B15R2.38 Brc1ncccc1Sc2cccnc2 62a_100010202626_100000210063 [0,1,0,0,1,0|2,0,0]=4 5295 B15R2.38 Brc1ncccc1Sc2ccncc2 62a_100000728582_100010202626 [0,1,0,0,1,0|2,0,0]=4 5296 B15R2.38 Brc1ncccc1Sc2ccncc2 62a_100010202626_100000728582 [0,1,0,0,1,0|2,0,0]=4 5297 B15R2.38 Brc1ncncc1Sc2ccccc2 62a_100000719477_200012461658 [0,1,0,0,1,0|2,0,0]=4 5298 B15R2.38 Brc1ncncc1Sc2ccccc2 62a_200012461658_100000041952 [0,1,0,0,1,0|2,0,0]=4 5299 B15R2.38 C[n+]1ccccc1Sc2cccnc2 62a_100000210063_100000212160 [0,1,0,0,1,0|2,0,0]=4 5300 B15R2.38 Cc1ccccc1Nc2cccnn2 27a_100015192222_100016991348 [0,1,0,0,1,0|1,0,0]=3 5301 B15R2.38 Cc1ccccc1Nc2cnccn2 27a_100015192222_100000211759 [0,1,0,0,1,0|1,0,0]=3 5302 B15R2.38 Cc1ccccc1Sc2ccccc2 62a_100000210755_100000041952 [0,1,0,0,1,0|2,0,0]=4 5303 B15R2.38 Cc1ccccc1Sc2ccccc2 62a_100000719477_100000210755 [0,1,0,0,1,0|2,0,0]=4 5304 B15R2.38 Cc1ccccc1Sc2cccnc2 62a_100000210063_100000210755 [0,1,0,0,1,0|1,0,0]=3 5305 B15R2.38 Cc1ccccc1Sc2cccnc2 62a_100000210755_100000210063 [0,1,0,0,1,0|1,0,0]=3 5306 B15R2.38 Cc1ccccc1Sc2cccnn2 62a_100000210755_100016991348 [0,1,0,0,1,0|2,0,0]=4 5307 B15R2.38 Cc1ccccc1Sc2cccnn2 62a_100016991348_100000210755 [0,1,0,0,1,0|2,0,0]=4 5308 B15R2.38 Cc1ccccc1Sc2ccnnc2 62a_100000210755_100000732662 [0,1,0,0,1,0|2,0,0]=4 5309 B15R2.38 Cc1ccccc1Sc2ccnnc2 62a_100000732662_100000210755 [0,1,0,0,1,0|2,0,0]=4 5310 B15R2.38 Cc1ccccc1Sc2cnccn2 62a_100000210755_100000211759 [0,1,0,0,1,0|2,0,0]=4 5311 B15R2.38 Cc1ccccc1Sc2cnccn2 62a_100000211759_100000210755 [0,1,0,0,1,0|2,0,0]=4 5312 B15R2.38 Cc1ccccc1Sc2cncnc2 62a_100000210755_100011206942 [0,1,0,0,1,0|2,0,0]=4 5313 B15R2.38 Cc1ccccc1Sc2cncnc2 62a_100011206942_100000210755 [0,1,0,0,1,0|2,0,0]=4 5314 B15R2.38 Cc1cccnc1Sc2cccnc2 62a_100000210063_100000751373 [0,1,0,0,1,0|2,0,0]=4 5315 B15R2.38 Cc1cccnc1Sc2cccnc2 62a_100000751373_100000210063 [0,1,0,0,1,0|2,0,0]=4 5316 B15R2.38 Cc1ccncc1Sc2ccccc2 62a_100000719477_100000761580 [0,1,0,0,1,0|1,0,0]=3 5317 B15R2.38 Cc1ccncc1Sc2ccccc2 62a_100000761580_100000041952 [0,1,0,0,1,0|1,0,0]=3 5318 B15R2.38 Cc1ccncc1Sc2ccccn2 62a_100000761580_100011216584 [0,1,0,0,1,0|2,0,0]=4 5319 B15R2.38 Cc1ccncc1Sc2ccccn2 62a_100011216584_100000761580 [0,1,0,0,1,0|2,0,0]=4 5320 B15R2.38 Cc1ccncc1Sc2cccnc2 62a_100000210063_100000761580 [0,1,0,0,1,0|2,0,0]=4 5321 B15R2.38 Cc1ccncc1Sc2cccnc2 62a_100000761580_100000210063 [0,1,0,0,1,0|2,0,0]=4 5322 B15R2.38 Cc1ccncc1Sc2ccncc2 62a_100000728582_100000761580 [0,1,0,0,1,0|2,0,0]=4 5323 B15R2.38 Cc1ccncc1Sc2ccncc2 62a_100000761580_100000728582 [0,1,0,0,1,0|2,0,0]=4 5324 B15R2.38 Cc1ccnnc1Nc2ccccc2 27a_100000106764_100000089043 [0,1,0,0,1,0|1,0,0]=3 5325 B15R2.38 Cc1ccnnc1Sc2ccccc2 62a_100000719477_100000089043 [0,1,0,0,1,0|2,0,0]=4 5326 B15R2.38 Cc1cnccc1Nc2ccccc2 27a_100000106764_100000765111 [0,1,0,0,1,0|2,0,0]=4 5327 B15R2.38 Cc1cnccc1Sc2cccnc2 62a_100000210063_100000765111 [0,1,0,0,1,0|2,0,0]=4 5328 B15R2.38 Cc1cnccc1Sc2cccnc2 62a_100000765111_100000210063 [0,1,0,0,1,0|2,0,0]=4 5329 B15R2.38 Cc1ncccc1Sc2ccccc2 62a_100000719477_100000751574 [0,1,0,0,1,0|1,0,0]=3 5330 B15R2.38 Cc1ncccc1Sc2ccccc2 62a_100000751574_100000041952 [0,1,0,0,1,0|1,0,0]=3 5331 B15R2.38 Cc1ncccc1Sc2ccccn2 62a_100000751574_100011216584 [0,1,0,0,1,0|2,0,0]=4 5332 B15R2.38 Cc1ncccc1Sc2ccccn2 62a_100011216584_100000751574 [0,1,0,0,1,0|2,0,0]=4 5333 B15R2.38 Cc1ncccc1Sc2cccnc2 62a_100000210063_100000751574 [0,1,0,0,1,0|2,0,0]=4 5334 B15R2.38 Cc1ncccc1Sc2cccnc2 62a_100000751574_100000210063 [0,1,0,0,1,0|2,0,0]=4 5335 B15R2.38 Cc1ncccc1Sc2ccncc2 62a_100000728582_100000751574 [0,1,0,0,1,0|2,0,0]=4 5336 B15R2.38 Cc1ncccc1Sc2ccncc2 62a_100000751574_100000728582 [0,1,0,0,1,0|2,0,0]=4 5337 B15R2.38 Cc1nccnc1Nc2ccccc2 27a_100000106764_100011999405 [0,1,0,0,1,0|1,0,0]=3 5338 B15R2.38 Cc1nccnc1Sc2ccccc2 62a_100000719477_100011999405 [0,1,0,0,1,0|2,0,0]=4 5339 B15R2.38 Cc1nccnc1Sc2ccccc2 62a_100011999405_100000041952 [0,1,0,0,1,0|2,0,0]=4 5340 B15R2.38 Cc1ncncc1Sc2ccccc2 62a_100000719477_100009819671 [0,1,0,0,1,0|2,0,0]=4 5341 B15R2.38 Cc1ncncc1Sc2ccccc2 62a_100009819671_100000041952 [0,1,0,0,1,0|2,0,0]=4 5342 B15R2.38 Clc1ccccc1Nc2cccnn2 27a_100000185783_100016991348 [0,1,0,0,1,0|1,0,0]=3 5343 B15R2.38 Clc1ccccc1Nc2cnccn2 27a_100000185783_100000211759 [0,1,0,0,1,0|1,0,0]=3 5344 B15R2.38 Clc1ccccc1Sc2ccccc2 62a_100000719477_100000764095 [0,1,0,0,1,0|2,0,0]=4 5345 B15R2.38 Clc1ccccc1Sc2ccccc2 62a_100000764095_100000041952 [0,1,0,0,1,0|2,0,0]=4 5346 B15R2.38 Clc1ccccc1Sc2cccnc2 62a_100000210063_100000764095 [0,1,0,0,1,0|1,0,0]=3 5347 B15R2.38 Clc1ccccc1Sc2cccnc2 62a_100000764095_100000210063 [0,1,0,0,1,0|1,0,0]=3 5348 B15R2.38 Clc1ccccc1Sc2cccnn2 62a_100000764095_100016991348 [0,1,0,0,1,0|2,0,0]=4 5349 B15R2.38 Clc1ccccc1Sc2cccnn2 62a_100016991348_100000764095 [0,1,0,0,1,0|2,0,0]=4 5350 B15R2.38 Clc1ccccc1Sc2ccnnc2 62a_100000732662_100000764095 [0,1,0,0,1,0|2,0,0]=4 5351 B15R2.38 Clc1ccccc1Sc2ccnnc2 62a_100000764095_100000732662 [0,1,0,0,1,0|2,0,0]=4 5352 B15R2.38 Clc1ccccc1Sc2cnccn2 62a_100000211759_100000764095 [0,1,0,0,1,0|2,0,0]=4 5353 B15R2.38 Clc1ccccc1Sc2cnccn2 62a_100000764095_100000211759 [0,1,0,0,1,0|2,0,0]=4 5354 B15R2.38 Clc1ccccc1Sc2cncnc2 62a_100000764095_100011206942 [0,1,0,0,1,0|2,0,0]=4 5355 B15R2.38 Clc1ccccc1Sc2cncnc2 62a_100011206942_100000764095 [0,1,0,0,1,0|2,0,0]=4 5356 B15R2.38 Clc1cccnc1Sc2cccnc2 62a_100000210063_100011356963 [0,1,0,0,1,0|2,0,0]=4 5357 B15R2.38 Clc1cccnc1Sc2cccnc2 62a_100011356963_100000210063 [0,1,0,0,1,0|2,0,0]=4 5358 B15R2.38 Clc1ccncc1Sc2ccccc2 62a_100000719477_100009995489 [0,1,0,0,1,0|1,0,0]=3 5359 B15R2.38 Clc1ccncc1Sc2ccccc2 62a_100009995489_100000041952 [0,1,0,0,1,0|1,0,0]=3 5360 B15R2.38 Clc1ccncc1Sc2ccccn2 62a_100009995489_100011216584 [0,1,0,0,1,0|2,0,0]=4 5361 B15R2.38 Clc1ccncc1Sc2ccccn2 62a_100011216584_100009995489 [0,1,0,0,1,0|2,0,0]=4 5362 B15R2.38 Clc1ccncc1Sc2cccnc2 62a_100000210063_100009995489 [0,1,0,0,1,0|2,0,0]=4 5363 B15R2.38 Clc1ccncc1Sc2cccnc2 62a_100009995489_100000210063 [0,1,0,0,1,0|2,0,0]=4 5364 B15R2.38 Clc1ccncc1Sc2ccncc2 62a_100000728582_100009995489 [0,1,0,0,1,0|2,0,0]=4 5365 B15R2.38 Clc1ccncc1Sc2ccncc2 62a_100009995489_100000728582 [0,1,0,0,1,0|2,0,0]=4 5366 B15R2.38 Clc1cnccc1Sc2cccnc2 62a_100000210063_100000708259 [0,1,0,0,1,0|2,0,0]=4 5367 B15R2.38 Clc1cnccc1Sc2cccnc2 62a_100000708259_100000210063 [0,1,0,0,1,0|2,0,0]=4 5368 B15R2.38 Clc1ncccc1Sc2ccccc2 62a_100000036424_100000041952 [0,1,0,0,1,0|1,0,0]=3 5369 B15R2.38 Clc1ncccc1Sc2ccccc2 62a_100000719477_100000036424 [0,1,0,0,1,0|1,0,0]=3 5370 B15R2.38 Clc1ncccc1Sc2ccccn2 62a_100000036424_100011216584 [0,1,0,0,1,0|2,0,0]=4 5371 B15R2.38 Clc1ncccc1Sc2ccccn2 62a_100011216584_100000036424 [0,1,0,0,1,0|2,0,0]=4 5372 B15R2.38 Clc1ncccc1Sc2cccnc2 62a_100000036424_100000210063 [0,1,0,0,1,0|2,0,0]=4 5373 B15R2.38 Clc1ncccc1Sc2cccnc2 62a_100000210063_100000036424 [0,1,0,0,1,0|2,0,0]=4 5374 B15R2.38 Clc1ncccc1Sc2ccncc2 62a_100000036424_100000728582 [0,1,0,0,1,0|2,0,0]=4 5375 B15R2.38 Clc1ncccc1Sc2ccncc2 62a_100000728582_100000036424 [0,1,0,0,1,0|2,0,0]=4 5376 B15R2.38 Clc1nccnc1Sc2ccccc2 62a_100000719477_100010886584 [0,1,0,0,1,0|2,0,0]=4 5377 B15R2.38 Clc1nccnc1Sc2ccccc2 62a_100010886584_100000041952 [0,1,0,0,1,0|2,0,0]=4 5378 B15R2.38 Clc1ncncc1Sc2ccccc2 62a_100000719477_100000758962 [0,1,0,0,1,0|2,0,0]=4 5379 B15R2.38 Clc1ncncc1Sc2ccccc2 62a_100000758962_100000041952 [0,1,0,0,1,0|2,0,0]=4 5380 B15R2.38 Fc1ccccc1Nc2cccnn2 27a_100000210422_100016991348 [0,1,0,0,1,0|1,0,0]=3 5381 B15R2.38 Fc1ccccc1Nc2cnccn2 27a_100000210422_100000211759 [0,1,0,0,1,0|1,0,0]=3 5382 B15R2.38 Fc1ccccc1Sc2ccccc2 62a_100000719477_100011215700 [0,1,0,0,1,0|2,0,0]=4 5383 B15R2.38 Fc1ccccc1Sc2ccccc2 62a_100011215700_100000041952 [0,1,0,0,1,0|2,0,0]=4 5384 B15R2.38 Fc1ccccc1Sc2cccnc2 62a_100000210063_100011215700 [0,1,0,0,1,0|1,0,0]=3 5385 B15R2.38 Fc1ccccc1Sc2cccnc2 62a_100011215700_100000210063 [0,1,0,0,1,0|1,0,0]=3 5386 B15R2.38 Fc1ccccc1Sc2cccnn2 62a_100011215700_100016991348 [0,1,0,0,1,0|2,0,0]=4 5387 B15R2.38 Fc1ccccc1Sc2cccnn2 62a_100016991348_100011215700 [0,1,0,0,1,0|2,0,0]=4 5388 B15R2.38 Fc1ccccc1Sc2ccnnc2 62a_100000732662_100011215700 [0,1,0,0,1,0|2,0,0]=4 5389 B15R2.38 Fc1ccccc1Sc2ccnnc2 62a_100011215700_100000732662 [0,1,0,0,1,0|2,0,0]=4 5390 B15R2.38 Fc1ccccc1Sc2cnccn2 62a_100000211759_100011215700 [0,1,0,0,1,0|2,0,0]=4 5391 B15R2.38 Fc1ccccc1Sc2cnccn2 62a_100011215700_100000211759 [0,1,0,0,1,0|2,0,0]=4 5392 B15R2.38 Fc1ccccc1Sc2cncnc2 62a_100011206942_100011215700 [0,1,0,0,1,0|2,0,0]=4 5393 B15R2.38 Fc1ccccc1Sc2cncnc2 62a_100011215700_100011206942 [0,1,0,0,1,0|2,0,0]=4 5394 B15R2.38 Fc1cccnc1Sc2cccnc2 62a_100000210063_100000685392 [0,1,0,0,1,0|2,0,0]=4 5395 B15R2.38 Fc1cccnc1Sc2cccnc2 62a_100000685392_100000210063 [0,1,0,0,1,0|2,0,0]=4 5396 B15R2.38 Fc1ccncc1Sc2ccccc2 62a_100000719477_100009820683 [0,1,0,0,1,0|1,0,0]=3 5397 B15R2.38 Fc1ccncc1Sc2ccccc2 62a_100009820683_100000041952 [0,1,0,0,1,0|1,0,0]=3 5398 B15R2.38 Fc1ccncc1Sc2ccccn2 62a_100009820683_100011216584 [0,1,0,0,1,0|2,0,0]=4 5399 B15R2.38 Fc1ccncc1Sc2ccccn2 62a_100011216584_100009820683 [0,1,0,0,1,0|2,0,0]=4 5400 B15R2.38 Fc1ccncc1Sc2cccnc2 62a_100000210063_100009820683 [0,1,0,0,1,0|2,0,0]=4 5401 B15R2.38 Fc1ccncc1Sc2cccnc2 62a_100009820683_100000210063 [0,1,0,0,1,0|2,0,0]=4 5402 B15R2.38 Fc1ccncc1Sc2ccncc2 62a_100000728582_100009820683 [0,1,0,0,1,0|2,0,0]=4 5403 B15R2.38 Fc1ccncc1Sc2ccncc2 62a_100009820683_100000728582 [0,1,0,0,1,0|2,0,0]=4 5404 B15R2.38 Fc1cnccc1Nc2ccccc2 27a_100000106764_100000035921 [0,1,0,0,1,0|2,0,0]=4 5405 B15R2.38 Fc1cnccc1Sc2cccnc2 62a_100000047030_100000210063 [0,1,0,0,1,0|2,0,0]=4 5406 B15R2.38 Fc1cnccc1Sc2cccnc2 62a_100000210063_100000047030 [0,1,0,0,1,0|2,0,0]=4 5407 B15R2.38 Fc1ncccc1Sc2ccccc2 62a_100000719477_100009816115 [0,1,0,0,1,0|1,0,0]=3 5408 B15R2.38 Fc1ncccc1Sc2ccccc2 62a_100009816115_100000041952 [0,1,0,0,1,0|1,0,0]=3 5409 B15R2.38 Fc1ncccc1Sc2ccccn2 62a_100009816115_100011216584 [0,1,0,0,1,0|2,0,0]=4 5410 B15R2.38 Fc1ncccc1Sc2ccccn2 62a_100011216584_100009816115 [0,1,0,0,1,0|2,0,0]=4 5411 B15R2.38 Fc1ncccc1Sc2cccnc2 62a_100000210063_100009816115 [0,1,0,0,1,0|2,0,0]=4 5412 B15R2.38 Fc1ncccc1Sc2cccnc2 62a_100009816115_100000210063 [0,1,0,0,1,0|2,0,0]=4 5413 B15R2.38 Fc1ncccc1Sc2ccncc2 62a_100000728582_100009816115 [0,1,0,0,1,0|2,0,0]=4 5414 B15R2.38 Fc1ncccc1Sc2ccncc2 62a_100009816115_100000728582 [0,1,0,0,1,0|2,0,0]=4 5415 B15R2.38 Fc1nccnc1Nc2ccccc2 27a_100000106764_200010125657 [0,1,0,0,1,0|1,0,0]=3 5416 B15R2.38 Fc1nccnc1Sc2ccccc2 62a_100000719477_200010125657 [0,1,0,0,1,0|2,0,0]=4 5417 B15R2.38 Fc1nccnc1Sc2ccccc2 62a_200010125657_100000041952 [0,1,0,0,1,0|2,0,0]=4 5418 B15R2.38 Ic1ccccc1Nc2cccnn2 27a_100000210053_100016991348 [0,1,0,0,1,0|1,0,0]=3 5419 B15R2.38 Ic1ccccc1Nc2cnccn2 27a_100000210053_100000211759 [0,1,0,0,1,0|1,0,0]=3 5420 B15R2.38 Nc1ccccc1Sc2ccccc2 62a_100000210017_100000041952 [0,1,0,0,1,0|2,0,0]=4 5421 B15R2.38 Nc1ccccc1Sc2ccccc2 62a_100000719477_100000210017 [0,1,0,0,1,0|2,0,0]=4 5422 B15R2.38 Nc1ccccc1Sc2cccnc2 62a_100000210017_100000210063 [0,1,0,0,1,0|1,0,0]=3 5423 B15R2.38 Nc1ccccc1Sc2cccnc2 62a_100000210063_100000210017 [0,1,0,0,1,0|1,0,0]=3 5424 B15R2.38 Nc1ccccc1Sc2cccnn2 62a_100000210017_100016991348 [0,1,0,0,1,0|2,0,0]=4 5425 B15R2.38 Nc1ccccc1Sc2cccnn2 62a_100016991348_100000210017 [0,1,0,0,1,0|2,0,0]=4 5426 B15R2.38 Nc1ccccc1Sc2ccnnc2 62a_100000210017_100000732662 [0,1,0,0,1,0|2,0,0]=4 5427 B15R2.38 Nc1ccccc1Sc2ccnnc2 62a_100000732662_100000210017 [0,1,0,0,1,0|2,0,0]=4 5428 B15R2.38 Nc1ccccc1Sc2cnccn2 62a_100000210017_100000211759 [0,1,0,0,1,0|2,0,0]=4 5429 B15R2.38 Nc1ccccc1Sc2cnccn2 62a_100000211759_100000210017 [0,1,0,0,1,0|2,0,0]=4 5430 B15R2.38 Nc1ccccc1Sc2cncnc2 62a_100000210017_100011206942 [0,1,0,0,1,0|2,0,0]=4 5431 B15R2.38 Nc1ccccc1Sc2cncnc2 62a_100011206942_100000210017 [0,1,0,0,1,0|2,0,0]=4 5432 B15R2.38 Nc1cccnc1Sc2cccnc2 62a_100000210063_100000688686 [0,1,0,0,1,0|2,0,0]=4 5433 B15R2.38 Nc1cccnc1Sc2cccnc2 62a_100000688686_100000210063 [0,1,0,0,1,0|2,0,0]=4 5434 B15R2.38 Nc1ccncc1Sc2ccccc2 62a_100000047001_100000041952 [0,1,0,0,1,0|1,0,0]=3 5435 B15R2.38 Nc1ccncc1Sc2ccccc2 62a_100000719477_100000047001 [0,1,0,0,1,0|1,0,0]=3 5436 B15R2.38 Nc1ccncc1Sc2ccccn2 62a_100000047001_100011216584 [0,1,0,0,1,0|2,0,0]=4 5437 B15R2.38 Nc1ccncc1Sc2ccccn2 62a_100011216584_100000047001 [0,1,0,0,1,0|2,0,0]=4 5438 B15R2.38 Nc1ccncc1Sc2cccnc2 62a_100000047001_100000210063 [0,1,0,0,1,0|2,0,0]=4 5439 B15R2.38 Nc1ccncc1Sc2cccnc2 62a_100000210063_100000047001 [0,1,0,0,1,0|2,0,0]=4 5440 B15R2.38 Nc1ccncc1Sc2ccncc2 62a_100000047001_100000728582 [0,1,0,0,1,0|2,0,0]=4 5441 B15R2.38 Nc1ccncc1Sc2ccncc2 62a_100000728582_100000047001 [0,1,0,0,1,0|2,0,0]=4 5442 B15R2.38 Nc1cnccc1Sc2cccnc2 62a_100000210063_100000756074 [0,1,0,0,1,0|2,0,0]=4 5443 B15R2.38 Nc1cnccc1Sc2cccnc2 62a_100000756074_100000210063 [0,1,0,0,1,0|2,0,0]=4 5444 B15R2.38 Nc1cnncc1Sc2ccccc2 62a_100000719477_100009829405 [0,1,0,0,1,0|2,0,0]=4 5445 B15R2.38 Nc1cnncc1Sc2ccccc2 62a_100009829405_100000041952 [0,1,0,0,1,0|2,0,0]=4 5446 B15R2.38 Nc1ncccc1Sc2ccccc2 62a_100000045569_100000041952 [0,1,0,0,1,0|1,0,0]=3 5447 B15R2.38 Nc1ncccc1Sc2ccccc2 62a_100000719477_100000045569 [0,1,0,0,1,0|1,0,0]=3 5448 B15R2.38 Nc1ncccc1Sc2ccccn2 62a_100000045569_100011216584 [0,1,0,0,1,0|2,0,0]=4 5449 B15R2.38 Nc1ncccc1Sc2ccccn2 62a_100011216584_100000045569 [0,1,0,0,1,0|2,0,0]=4 5450 B15R2.38 Nc1ncccc1Sc2cccnc2 62a_100000045569_100000210063 [0,1,0,0,1,0|2,0,0]=4 5451 B15R2.38 Nc1ncccc1Sc2cccnc2 62a_100000210063_100000045569 [0,1,0,0,1,0|2,0,0]=4 5452 B15R2.38 Nc1ncccc1Sc2ccncc2 62a_100000045569_100000728582 [0,1,0,0,1,0|2,0,0]=4 5453 B15R2.38 Nc1ncccc1Sc2ccncc2 62a_100000728582_100000045569 [0,1,0,0,1,0|2,0,0]=4 5454 B15R2.38 Nc1nccnc1Sc2ccccc2 62a_100000719477_100000747729 [0,1,0,0,1,0|2,0,0]=4 5455 B15R2.38 Nc1nccnc1Sc2ccccc2 62a_100000747729_100000041952 [0,1,0,0,1,0|2,0,0]=4 5456 B15R2.38 Nc1ncncc1Sc2ccccc2 62a_100000719477_100011996079 [0,1,0,0,1,0|2,0,0]=4 5457 B15R2.38 Nc1ncncc1Sc2ccccc2 62a_100011996079_100000041952 [0,1,0,0,1,0|2,0,0]=4 5458 B15R2.38 O=c1[nH]nccc1Nc2ccccc2 27a_100000106764_100000087129 [0,1,0,0,1,0|1,0,1]=4 5459 B15R2.38 O=c1cc[nH]cc1Sc2ccccc2 62a_100000719477_100009998708 [0,1,0,0,1,0|1,0,1]=4 5460 B15R2.38 O=c1cc[nH]cc1Sc2ccccc2 62a_100009998708_100000041952 [0,1,0,0,1,0|1,0,1]=4 5461 B15R2.38 O=c1cc[nH]cc1Sc2cccnc2 62a_100000210063_100009998708 [0,1,0,0,1,0|2,0,0]=4 5462 B15R2.38 O=c1cc[nH]cc1Sc2cccnc2 62a_100009998708_100000210063 [0,1,0,0,1,0|2,0,0]=4 5463 B15R2.38 Oc1ccccc1Cc2ccccc2 271570a_203496583355_200011216382 [0,1,0,0,1,0|1,0,0]=3 5464 B15R2.38 Oc1ccccc1Nc2cccnn2 27a_100000185747_100016991348 [0,1,0,0,1,0|1,0,0]=3 5465 B15R2.38 Oc1ccccc1Nc2cnccn2 27a_100000185747_100000211759 [0,1,0,0,1,0|1,0,0]=3 5466 B15R2.38 Oc1ccccc1Oc2ccccc2 271570a_203496583355_100000049502 [0,1,0,0,1,0|2,0,0]=4 5467 B15R2.38 Oc1ccccc1Sc2ccccc2 62a_100000719477_100000739446 [0,1,0,0,1,0|2,0,0]=4 5468 B15R2.38 Oc1ccccc1Sc2ccccc2 62a_100000739446_100000041952 [0,1,0,0,1,0|2,0,0]=4 5469 B15R2.38 Oc1ccccc1Sc2cccnc2 62a_100000210063_100000739446 [0,1,0,0,1,0|1,0,0]=3 5470 B15R2.38 Oc1ccccc1Sc2cccnc2 62a_100000739446_100000210063 [0,1,0,0,1,0|1,0,0]=3 5471 B15R2.38 Oc1ccccc1Sc2cccnn2 62a_100000739446_100016991348 [0,1,0,0,1,0|2,0,0]=4 5472 B15R2.38 Oc1ccccc1Sc2cccnn2 62a_100016991348_100000739446 [0,1,0,0,1,0|2,0,0]=4 5473 B15R2.38 Oc1ccccc1Sc2ccnnc2 62a_100000732662_100000739446 [0,1,0,0,1,0|2,0,0]=4 5474 B15R2.38 Oc1ccccc1Sc2ccnnc2 62a_100000739446_100000732662 [0,1,0,0,1,0|2,0,0]=4 5475 B15R2.38 Oc1ccccc1Sc2cnccn2 62a_100000211759_100000739446 [0,1,0,0,1,0|2,0,0]=4 5476 B15R2.38 Oc1ccccc1Sc2cnccn2 62a_100000739446_100000211759 [0,1,0,0,1,0|2,0,0]=4 5477 B15R2.38 Oc1ccccc1Sc2cncnc2 62a_100000739446_100011206942 [0,1,0,0,1,0|2,0,0]=4 5478 B15R2.38 Oc1ccccc1Sc2cncnc2 62a_100011206942_100000739446 [0,1,0,0,1,0|2,0,0]=4 5479 B15R2.38 Oc1cccnc1Sc2cccnc2 62a_100000034122_100000210063 [0,1,0,0,1,0|2,0,0]=4 5480 B15R2.38 Oc1cccnc1Sc2cccnc2 62a_100000210063_100000034122 [0,1,0,0,1,0|2,0,0]=4 5481 B15R2.38 Oc1cnccc1Sc2cccnc2 62a_100000210063_100009817591 [0,1,0,0,1,0|2,0,0]=4 5482 B15R2.38 Oc1cnccc1Sc2cccnc2 62a_100009817591_100000210063 [0,1,0,0,1,0|2,0,0]=4 5483 B15R2.38 Oc1ncccc1Sc2ccccc2 62a_100000719477_100000760158 [0,1,0,0,1,0|1,0,0]=3 5484 B15R2.38 Oc1ncccc1Sc2ccccc2 62a_100000760158_100000041952 [0,1,0,0,1,0|1,0,0]=3 5485 B15R2.38 Oc1ncccc1Sc2ccccn2 62a_100000760158_100011216584 [0,1,0,0,1,0|2,0,0]=4 5486 B15R2.38 Oc1ncccc1Sc2ccccn2 62a_100011216584_100000760158 [0,1,0,0,1,0|2,0,0]=4 5487 B15R2.38 Oc1ncccc1Sc2cccnc2 62a_100000210063_100000760158 [0,1,0,0,1,0|2,0,0]=4 5488 B15R2.38 Oc1ncccc1Sc2cccnc2 62a_100000760158_100000210063 [0,1,0,0,1,0|2,0,0]=4 5489 B15R2.38 Oc1ncccc1Sc2ccncc2 62a_100000728582_100000760158 [0,1,0,0,1,0|2,0,0]=4 5490 B15R2.38 Oc1ncccc1Sc2ccncc2 62a_100000760158_100000728582 [0,1,0,0,1,0|2,0,0]=4 5491 B15R2.38 Oc1ncncc1Sc2ccccc2 62a_100000719477_100000751107 [0,1,0,0,1,0|2,0,0]=4 5492 B15R2.38 Oc1ncncc1Sc2ccccc2 62a_100000751107_100000041952 [0,1,0,0,1,0|2,0,0]=4 5493 B15R2.38 S=c1cc[nH]cc1Sc2ccccc2 62a_100000719477_200012280681 [0,1,0,0,1,0|1,0,1]=4 5494 B15R2.38 S=c1cc[nH]cc1Sc2ccccc2 62a_200012280681_100000041952 [0,1,0,0,1,0|1,0,1]=4 5495 B15R2.38 S=c1cc[nH]cc1Sc2cccnc2 62a_100000210063_200012280681 [0,1,0,0,1,0|2,0,0]=4 5496 B15R2.38 S=c1cc[nH]cc1Sc2cccnc2 62a_200012280681_100000210063 [0,1,0,0,1,0|2,0,0]=4 5497 B15R2.38 [O-][n+]1ccccc1Sc2cccnc2 62a_100000210063_200000042595 [0,1,0,0,1,0|2,0,0]=4 5498 B15R2.2226 C=C(c1ccccc1)c2ccccc2 271570a_100000068269_100000210277 [0,1,0,0,1,0|1,0,1]=4 5499 B15R2.2226 C=C(c1ccccc1)c2cccnc2 271570a_100000068269_100000752921 [0,1,0,0,1,0|0,0,1]=3 5500 B15R2.2226 C=C(c1ccccc1)c2cccnn2 271570a_100000068269_100016991348 [0,1,0,0,1,0|1,0,1]=4 5501 B15R2.2226 C=C(c1ccccc1)c2ccnnc2 271570a_100000068269_100000732662 [0,1,0,0,1,0|1,0,1]=4 5502 B15R2.2226 C=C(c1ccccc1)c2cnccn2 271570a_100000068269_100000758340 [0,1,0,0,1,0|1,0,1]=4 5503 B15R2.2226 C=C(c1ccccc1)c2cncnc2 271570a_100000068269_100011206942 [0,1,0,0,1,0|1,0,1]=4 5504 B15R2.55 Brc1ccsc1CNc2ccccc2 207a_100000106764_100000766043 [0,1,0,0,1,0|1,0,0]=3 5505 B15R2.55 Brc1ccsc1CNc2ccccc2 270302a_100000106764_100000766043 [0,1,0,0,1,0|1,0,0]=3 5506 B15R2.55 Brc1ccsc1SCc2cccnc2 62a_100000741622_100012361411 [0,1,0,0,1,0|2,0,0]=4 5507 B15R2.55 Brc1ccsc1SCc2cccnc2 62a_100012361411_100000741622 [0,1,0,0,1,0|2,0,0]=4 5508 B15R2.55 Brc1cn[nH]c1CNc2ccccc2 207a_100000106764_100000732679 [0,1,0,0,1,0|1,0,0]=3 5509 B15R2.55 Brc1cscc1CNc2ccccc2 207a_100000106764_100000685484 [0,1,0,0,1,0|1,0,0]=3 5510 B15R2.55 Brc1cscc1CNc2ccccc2 270302a_100000106764_100000685484 [0,1,0,0,1,0|1,0,0]=3 5511 B15R2.55 Brc1cscc1SCc2cccnc2 62a_100000741622_100010143727 [0,1,0,0,1,0|2,0,0]=4 5512 B15R2.55 Brc1cscc1SCc2cccnc2 62a_100010143727_100000741622 [0,1,0,0,1,0|2,0,0]=4 5513 B15R2.55 Brc1sccc1CNc2ccccc2 207a_100000106764_100009816921 [0,1,0,0,1,0|1,0,0]=3 5514 B15R2.55 Brc1sccc1CNc2ccccc2 270302a_100000106764_100009816921 [0,1,0,0,1,0|1,0,0]=3 5515 B15R2.55 Brc1sccc1CNc2ccccc2 34a_100000106764_100009814289 [0,1,0,0,1,0|1,0,0]=3 5516 B15R2.55 Brc1sccc1COc2ccccc2 34a_100000210340_100009814289 [0,1,0,0,1,0|2,0,0]=4 5517 B15R2.55 Brc1sccc1COc2ccccc2 7a_100000210340_100009814289 [0,1,0,0,1,0|2,0,0]=4 5518 B15R2.55 Brc1sccc1CSc2ccccc2 62a_100000719477_100009814289 [0,1,0,0,1,0|2,0,0]=4 5519 B15R2.55 Brc1sccc1CSc2ccccc2 62a_100009814289_100000041952 [0,1,0,0,1,0|2,0,0]=4 5520 B15R2.55 Cc1[nH]cnc1CNc2ccccc2 207a_100000106764_100000032982 [0,1,0,0,1,0|1,0,0]=3 5521 B15R2.55 Cc1[nH]cnc1CSc2ccccc2 62a_100000719477_100000751220 [0,1,0,0,1,0|2,0,0]=4 5522 B15R2.55 Cc1[nH]cnc1CSc2ccccc2 62a_100000751220_100000041952 [0,1,0,0,1,0|2,0,0]=4 5523 B15R2.55 Cc1ccoc1CNc2ccccc2 207a_100000106764_100000763527 [0,1,0,0,1,0|1,0,0]=3 5524 B15R2.55 Cc1ccoc1CNc2ccccc2 270302a_100000106764_100000763527 [0,1,0,0,1,0|1,0,0]=3 5525 B15R2.55 Cc1ccsc1CNc2ccccc2 207a_100000106764_100000210881 [0,1,0,0,1,0|1,0,0]=3 5526 B15R2.55 Cc1ccsc1CNc2ccccc2 270302a_100000106764_100000210881 [0,1,0,0,1,0|1,0,0]=3 5527 B15R2.55 Cc1ccsc1SCc2cccnc2 62a_100000741622_100010247149 [0,1,0,0,1,0|2,0,0]=4 5528 B15R2.55 Cc1ccsc1SCc2cccnc2 62a_100010247149_100000741622 [0,1,0,0,1,0|2,0,0]=4 5529 B15R2.55 Cc1cn[nH]c1CNc2ccccc2 207a_100000106764_100000708485 [0,1,0,0,1,0|1,0,0]=3 5530 B15R2.55 Cc1cscc1SCc2cccnc2 62a_100000741622_100000759966 [0,1,0,0,1,0|2,0,0]=4 5531 B15R2.55 Cc1cscc1SCc2cccnc2 62a_100000759966_100000741622 [0,1,0,0,1,0|2,0,0]=4 5532 B15R2.55 Cc1n[nH]cc1CNc2ccccc2 207a_100000106764_100000737037 [0,1,0,0,1,0|1,0,0]=3 5533 B15R2.55 Cc1n[nH]cc1CNc2ccccc2 270302a_100000106764_100000737037 [0,1,0,0,1,0|1,0,0]=3 5534 B15R2.55 Cc1ncsc1CNc2ccccc2 207a_100000106764_100000764165 [0,1,0,0,1,0|1,0,0]=3 5535 B15R2.55 Cc1ncsc1CNc2ccccc2 270302a_100000106764_100000764165 [0,1,0,0,1,0|1,0,0]=3 5536 B15R2.55 Cc1nnsc1CNc2ccccc2 34a_100000106764_100000732739 [0,1,0,0,1,0|2,0,0]=4 5537 B15R2.55 Cc1nonc1CNc2ccccc2 34a_100000106764_200000044682 [0,1,0,0,1,0|2,0,0]=4 5538 B15R2.55 Cc1ocnc1CNc2ccccc2 34a_100000106764_200000693990 [0,1,0,0,1,0|1,0,0]=3 5539 B15R2.55 Cc1ocnc1COc2ccccc2 34a_100000210340_200000693990 [0,1,0,0,1,0|2,0,0]=4 5540 B15R2.55 Cc1ocnc1COc2ccccc2 7a_100000210340_200000693990 [0,1,0,0,1,0|2,0,0]=4 5541 B15R2.55 Cc1ocnc1CSc2ccccc2 62a_100000719477_200000693990 [0,1,0,0,1,0|2,0,0]=4 5542 B15R2.55 Cc1ocnc1CSc2ccccc2 62a_200000693990_100000041952 [0,1,0,0,1,0|2,0,0]=4 5543 B15R2.55 Cc1sccc1SCc2cccnc2 62a_100000684487_100000741622 [0,1,0,0,1,0|2,0,0]=4 5544 B15R2.55 Cc1sccc1SCc2cccnc2 62a_100000741622_100000684487 [0,1,0,0,1,0|2,0,0]=4 5545 B15R2.55 Clc1c[nH]nc1CNc2ccccc2 207a_100000106764_100000040271 [0,1,0,0,1,0|1,0,0]=3 5546 B15R2.55 Clc1ccsc1CNc2ccccc2 207a_100000106764_100000722334 [0,1,0,0,1,0|1,0,0]=3 5547 B15R2.55 Clc1ccsc1CNc2ccccc2 270302a_100000106764_100000722334 [0,1,0,0,1,0|1,0,0]=3 5548 B15R2.55 Clc1sccc1CNc2ccccc2 207a_100000106764_100000089901 [0,1,0,0,1,0|1,0,0]=3 5549 B15R2.55 Clc1sccc1CNc2ccccc2 270302a_100000106764_100000089901 [0,1,0,0,1,0|1,0,0]=3 5550 B15R2.55 Clc1sccc1CNc2ccccc2 34a_100000106764_100010167017 [0,1,0,0,1,0|1,0,0]=3 5551 B15R2.55 Clc1sccc1COc2ccccc2 34a_100000210340_100010167017 [0,1,0,0,1,0|2,0,0]=4 5552 B15R2.55 Clc1sccc1COc2ccccc2 7a_100000210340_100010167017 [0,1,0,0,1,0|2,0,0]=4 5553 B15R2.55 Clc1sccc1CSc2ccccc2 62a_100000719477_100010167017 [0,1,0,0,1,0|2,0,0]=4 5554 B15R2.55 Clc1sccc1CSc2ccccc2 62a_100010167017_100000041952 [0,1,0,0,1,0|2,0,0]=4 5555 B15R2.55 Cn1ccnc1CNc2ccccc2 207a_100000106764_100000748660 [0,1,0,0,1,0|1,0,0]=3 5556 B15R2.55 Cn1ccnc1CNc2ccccc2 34a_100000106764_100000700302 [0,1,0,0,1,0|1,0,0]=3 5557 B15R2.55 Cn1ccnc1COc2ccccc2 34a_100000210340_100000700302 [0,1,0,0,1,0|2,0,0]=4 5558 B15R2.55 Cn1ccnc1COc2ccccc2 7a_100000210340_100000700302 [0,1,0,0,1,0|2,0,0]=4 5559 B15R2.55 Cn1ccnc1CSc2ccccc2 62a_100000700302_100000041952 [0,1,0,0,1,0|2,0,0]=4 5560 B15R2.55 Cn1ccnc1CSc2ccccc2 62a_100000719477_100000700302 [0,1,0,0,1,0|2,0,0]=4 5561 B15R2.55 Cn1cncc1CNc2ccccc2 207a_100000106764_100000750899 [0,1,0,0,1,0|1,0,0]=3 5562 B15R2.55 Cn1cncc1CNc2ccccc2 270302a_100000106764_100000750899 [0,1,0,0,1,0|1,0,0]=3 5563 B15R2.55 Cn1nccc1CNc2ccccc2 207a_100000106764_100000737161 [0,1,0,0,1,0|1,0,0]=3 5564 B15R2.55 Cn1nccc1CNc2ccccc2 270302a_100000106764_100000737161 [0,1,0,0,1,0|1,0,0]=3 5565 B15R2.55 Cn1nccc1CNc2ccccc2 34a_100000106764_100000691648 [0,1,0,0,1,0|1,0,0]=3 5566 B15R2.55 Cn1nccc1COc2ccccc2 34a_100000210340_100000691648 [0,1,0,0,1,0|2,0,0]=4 5567 B15R2.55 Cn1nccc1COc2ccccc2 7a_100000210340_100000691648 [0,1,0,0,1,0|2,0,0]=4 5568 B15R2.55 Cn1nccc1CSc2ccccc2 62a_100000691648_100000041952 [0,1,0,0,1,0|2,0,0]=4 5569 B15R2.55 Cn1nccc1CSc2ccccc2 62a_100000719477_100000691648 [0,1,0,0,1,0|2,0,0]=4 5570 B15R2.100 Brc1ccc(cc1)NCc2c[nH]cn2 2230a_100000210018_100000707719 [0,1,0,0,1,0|1,0,0]=3 5571 B15R2.100 Brc1ccc(cc1)NCc2c[nH]cn2 34a_100000210018_100000707719 [0,1,0,0,1,0|1,0,0]=3 5572 B15R2.100 Brc1ccc(cc1)NCc2cc[nH]n2 207a_100000210018_100000738523 [0,1,0,0,1,0|1,0,0]=3 5573 B15R2.100 Brc1ccc(cc1)NCc2ccco2 207a_100000210018_100000186105 [0,1,0,0,1,0|1,0,0]=3 5574 B15R2.100 Brc1ccc(cc1)NCc2ccco2 270302a_100000210018_100000186105 [0,1,0,0,1,0|1,0,0]=3 5575 B15R2.100 Brc1ccc(cc1)NCc2cccs2 207a_100000210018_100000209959 [0,1,0,0,1,0|1,0,0]=3 5576 B15R2.100 Brc1ccc(cc1)NCc2cccs2 270302a_100000210018_100000209959 [0,1,0,0,1,0|1,0,0]=3 5577 B15R2.100 Brc1ccc(cc1)NCc2ccn[nH]2 2230a_100000210018_100000728653 [0,1,0,0,1,0|1,0,0]=3 5578 B15R2.100 Brc1ccc(cc1)NCc2ccn[nH]2 34a_100000210018_100000728653 [0,1,0,0,1,0|1,0,0]=3 5579 B15R2.100 Brc1ccc(cc1)NCc2ccoc2 207a_100000210018_100011215517 [0,1,0,0,1,0|1,0,0]=3 5580 B15R2.100 Brc1ccc(cc1)NCc2ccon2 2230a_100000210018_100000234950 [0,1,0,0,1,0|1,0,0]=3 5581 B15R2.100 Brc1ccc(cc1)NCc2ccon2 34a_100000210018_100000234950 [0,1,0,0,1,0|1,0,0]=3 5582 B15R2.100 Brc1ccc(cc1)NCc2ccsc2 207a_100000210018_100000188534 [0,1,0,0,1,0|1,0,0]=3 5583 B15R2.100 Brc1ccc(cc1)NCc2ccsc2 2230a_100000210018_100011261437 [0,1,0,0,1,0|1,0,0]=3 5584 B15R2.100 Brc1ccc(cc1)NCc2ccsc2 270302a_100000210018_100000188534 [0,1,0,0,1,0|1,0,0]=3 5585 B15R2.100 Brc1ccc(cc1)NCc2ccsc2 34a_100000210018_100011261437 [0,1,0,0,1,0|1,0,0]=3 5586 B15R2.100 Brc1ccc(cc1)NCc2cn[nH]c2 207a_100000210018_100016992096 [0,1,0,0,1,0|1,0,0]=3 5587 B15R2.100 Brc1ccc(cc1)NCc2cn[nH]c2 270302a_100000210018_100016992096 [0,1,0,0,1,0|1,0,0]=3 5588 B15R2.100 Brc1ccc(cc1)NCc2cnc[nH]2 207a_100000210018_100000742939 [0,1,0,0,1,0|1,0,0]=3 5589 B15R2.100 Brc1ccc(cc1)NCc2cncs2 207a_100000210018_100000749870 [0,1,0,0,1,0|1,0,0]=3 5590 B15R2.100 Brc1ccc(cc1)NCc2cncs2 2230a_100000210018_100015185245 [0,1,0,0,1,0|1,0,0]=3 5591 B15R2.100 Brc1ccc(cc1)NCc2cncs2 270302a_100000210018_100000749870 [0,1,0,0,1,0|1,0,0]=3 5592 B15R2.100 Brc1ccc(cc1)NCc2cncs2 34a_100000210018_100015185245 [0,1,0,0,1,0|1,0,0]=3 5593 B15R2.100 Brc1ccc(cc1)NCc2cscn2 207a_100000210018_100000743575 [0,1,0,0,1,0|1,0,0]=3 5594 B15R2.100 Brc1ccc(cc1)NCc2cscn2 2230a_100000210018_100000205941 [0,1,0,0,1,0|1,0,0]=3 5595 B15R2.100 Brc1ccc(cc1)NCc2cscn2 270302a_100000210018_100000743575 [0,1,0,0,1,0|1,0,0]=3 5596 B15R2.100 Brc1ccc(cc1)NCc2cscn2 34a_100000210018_100000205941 [0,1,0,0,1,0|1,0,0]=3 5597 B15R2.100 Brc1ccc(cc1)NCc2ncc[nH]2 207a_100000210018_100000743867 [0,1,0,0,1,0|1,0,0]=3 5598 B15R2.100 Brc1ccc(cc1)NCc2ncc[nH]2 2230a_100000210018_100016991755 [0,1,0,0,1,0|1,0,0]=3 5599 B15R2.100 Brc1ccc(cc1)NCc2ncc[nH]2 34a_100000210018_100016991755 [0,1,0,0,1,0|1,0,0]=3 5600 B15R2.100 Brc1ccc(cc1)NCc2ncco2 2230a_100000210018_103436540062 [0,1,0,0,1,0|1,0,0]=3 5601 B15R2.100 Brc1ccc(cc1)NCc2ncco2 34a_100000210018_103436540062 [0,1,0,0,1,0|1,0,0]=3 5602 B15R2.100 Brc1ccc(cc1)NCc2nccs2 207a_100000210018_100000750902 [0,1,0,0,1,0|1,0,0]=3 5603 B15R2.100 Brc1ccc(cc1)NCc2nccs2 2230a_100000210018_100015184050 [0,1,0,0,1,0|1,0,0]=3 5604 B15R2.100 Brc1ccc(cc1)NCc2nccs2 270302a_100000210018_100000750902 [0,1,0,0,1,0|1,0,0]=3 5605 B15R2.100 Brc1ccc(cc1)NCc2nccs2 34a_100000210018_100015184050 [0,1,0,0,1,0|1,0,0]=3 5606 B15R2.100 Brc1ccc(cc1)NCc2ncon2 34a_100000210018_100000233494 [0,1,0,0,1,0|2,0,0]=4 5607 B15R2.100 Brc1ccc(cc1)NCn2cncn2 2230a_100000210018_200020645497 [0,1,0,0,1,0|2,0,0]=4 5608 B15R2.100 Brc1ccc(cc1)NCn2cncn2 34a_100000210018_200020645497 [0,1,0,0,1,0|2,0,0]=4 5609 B15R2.100 Brc1ccc(cc1)OCc2c[nH]cn2 34a_100000185759_100000707719 [0,1,0,0,1,0|2,0,0]=4 5610 B15R2.100 Brc1ccc(cc1)OCc2ccn[nH]2 34a_100000185759_100000728653 [0,1,0,0,1,0|2,0,0]=4 5611 B15R2.100 Brc1ccc(cc1)OCc2ccn[nH]2 7a_100000185759_100000728653 [0,1,0,0,1,0|2,0,0]=4 5612 B15R2.100 Brc1ccc(cc1)OCc2ccon2 34a_100000185759_100000234950 [0,1,0,0,1,0|2,0,0]=4 5613 B15R2.100 Brc1ccc(cc1)OCc2ccon2 7a_100000185759_100000234950 [0,1,0,0,1,0|2,0,0]=4 5614 B15R2.100 Brc1ccc(cc1)OCc2ccsc2 34a_100000185759_100011261437 [0,1,0,0,1,0|2,0,0]=4 5615 B15R2.100 Brc1ccc(cc1)OCc2ccsc2 7a_100000185759_100011261437 [0,1,0,0,1,0|2,0,0]=4 5616 B15R2.100 Brc1ccc(cc1)OCc2cncs2 34a_100000185759_100015185245 [0,1,0,0,1,0|2,0,0]=4 5617 B15R2.100 Brc1ccc(cc1)OCc2cncs2 7a_100000185759_100015185245 [0,1,0,0,1,0|2,0,0]=4 5618 B15R2.100 Brc1ccc(cc1)OCc2cscn2 34a_100000185759_100000205941 [0,1,0,0,1,0|2,0,0]=4 5619 B15R2.100 Brc1ccc(cc1)OCc2cscn2 7a_100000185759_100000205941 [0,1,0,0,1,0|2,0,0]=4 5620 B15R2.100 Brc1ccc(cc1)OCc2ncc[nH]2 34a_100000185759_100016991755 [0,1,0,0,1,0|2,0,0]=4 5621 B15R2.100 Brc1ccc(cc1)OCc2ncc[nH]2 7a_100000185759_100000753453 [0,1,0,0,1,0|2,0,0]=4 5622 B15R2.100 Brc1ccc(cc1)OCc2ncco2 34a_100000185759_103436540062 [0,1,0,0,1,0|2,0,0]=4 5623 B15R2.100 Brc1ccc(cc1)OCc2ncco2 7a_100000185759_103436540062 [0,1,0,0,1,0|2,0,0]=4 5624 B15R2.100 Brc1ccc(cc1)OCc2nccs2 34a_100000185759_100015184050 [0,1,0,0,1,0|2,0,0]=4 5625 B15R2.100 Brc1ccc(cc1)OCc2nccs2 7a_100000185759_100015184050 [0,1,0,0,1,0|2,0,0]=4 5626 B15R2.100 Brc1ccc(cc1)SCc2c[nH]cn2 62a_100000707719_100000752885 [0,1,0,0,1,0|2,0,0]=4 5627 B15R2.100 Brc1ccc(cc1)SCc2c[nH]cn2 62a_100000752885_100000707719 [0,1,0,0,1,0|2,0,0]=4 5628 B15R2.100 Brc1ccc(cc1)SCc2ccn[nH]2 62a_100000728653_100000752885 [0,1,0,0,1,0|2,0,0]=4 5629 B15R2.100 Brc1ccc(cc1)SCc2ccn[nH]2 62a_100000752885_100000728653 [0,1,0,0,1,0|2,0,0]=4 5630 B15R2.100 Brc1ccc(cc1)SCc2ccon2 62a_100000234950_100000752885 [0,1,0,0,1,0|2,0,0]=4 5631 B15R2.100 Brc1ccc(cc1)SCc2ccon2 62a_100000752885_100000234950 [0,1,0,0,1,0|2,0,0]=4 5632 B15R2.100 Brc1ccc(cc1)SCc2ccsc2 62a_100000752885_100011233845 [0,1,0,0,1,0|2,0,0]=4 5633 B15R2.100 Brc1ccc(cc1)SCc2ccsc2 62a_100011261437_100000752885 [0,1,0,0,1,0|2,0,0]=4 5634 B15R2.100 Brc1ccc(cc1)SCc2cncs2 62a_100000752885_100015185245 [0,1,0,0,1,0|2,0,0]=4 5635 B15R2.100 Brc1ccc(cc1)SCc2cncs2 62a_100015185245_100000752885 [0,1,0,0,1,0|2,0,0]=4 5636 B15R2.100 Brc1ccc(cc1)SCc2cscn2 62a_100000205941_100000752885 [0,1,0,0,1,0|2,0,0]=4 5637 B15R2.100 Brc1ccc(cc1)SCc2cscn2 62a_100000752885_100000205941 [0,1,0,0,1,0|2,0,0]=4 5638 B15R2.100 Brc1ccc(cc1)SCc2ncc[nH]2 62a_100000752885_100016991755 [0,1,0,0,1,0|2,0,0]=4 5639 B15R2.100 Brc1ccc(cc1)SCc2ncc[nH]2 62a_100016991755_100000752885 [0,1,0,0,1,0|2,0,0]=4 5640 B15R2.100 Brc1ccc(cc1)SCc2ncco2 62a_100000752885_103436540062 [0,1,0,0,1,0|2,0,0]=4 5641 B15R2.100 Brc1ccc(cc1)SCc2ncco2 62a_103436540062_100000752885 [0,1,0,0,1,0|2,0,0]=4 5642 B15R2.100 Brc1ccc(cc1)SCc2nccs2 62a_100000752885_100015184050 [0,1,0,0,1,0|2,0,0]=4 5643 B15R2.100 Brc1ccc(cc1)SCc2nccs2 62a_100015184050_100000752885 [0,1,0,0,1,0|2,0,0]=4 5644 B15R2.100 Brc1ccc(cn1)COc2ccsc2 34a_100000106738_100009831999 [0,1,0,0,1,0|2,0,0]=4 5645 B15R2.100 Brc1ccc(cn1)COc2ccsc2 7a_100000106738_100009831999 [0,1,0,0,1,0|2,0,0]=4 5646 B15R2.100 Brc1ccc(cn1)CSc2ccco2 62a_100009814098_100009831999 [0,1,0,0,1,0|2,0,0]=4 5647 B15R2.100 Brc1ccc(cn1)CSc2ccco2 62a_100009831999_100009814098 [0,1,0,0,1,0|2,0,0]=4 5648 B15R2.100 Brc1ccc(cn1)CSc2cccs2 62a_100009831999_100011215356 [0,1,0,0,1,0|2,0,0]=4 5649 B15R2.100 Brc1ccc(cn1)CSc2cccs2 62a_100011215356_100009831999 [0,1,0,0,1,0|2,0,0]=4 5650 B15R2.100 Brc1ccc(cn1)CSc2ccoc2 62a_100009831999_100011215275 [0,1,0,0,1,0|2,0,0]=4 5651 B15R2.100 Brc1ccc(cn1)CSc2ccoc2 62a_100011215275_100009831999 [0,1,0,0,1,0|2,0,0]=4 5652 B15R2.100 Brc1ccc(cn1)CSc2ccsc2 62a_100000738268_100009831999 [0,1,0,0,1,0|2,0,0]=4 5653 B15R2.100 Brc1ccc(cn1)CSc2ccsc2 62a_100009831999_100000738268 [0,1,0,0,1,0|2,0,0]=4 5654 B15R2.100 Brc1ccc(nc1)NCc2c[nH]cn2 27a_100000758547_100000686858 [0,1,0,0,1,0|2,0,0]=4 5655 B15R2.100 Brc1ccc(nc1)NCc2cc[nH]n2 27a_100000739516_100000686858 [0,1,0,0,1,0|2,0,0]=4 5656 B15R2.100 Brc1ccc(nc1)NCc2ccco2 27a_100000185738_100000686858 [0,1,0,0,1,0|2,0,0]=4 5657 B15R2.100 Brc1ccc(nc1)NCc2cccs2 27a_100000211653_100000686858 [0,1,0,0,1,0|2,0,0]=4 5658 B15R2.100 Brc1ccc(nc1)NCc2ccoc2 27a_100015206860_100000686858 [0,1,0,0,1,0|2,0,0]=4 5659 B15R2.100 Brc1ccc(nc1)NCc2ccon2 27a_100000688301_100000686858 [0,1,0,0,1,0|2,0,0]=4 5660 B15R2.100 Brc1ccc(nc1)NCc2ccsc2 27a_100000186416_100000686858 [0,1,0,0,1,0|2,0,0]=4 5661 B15R2.100 Brc1ccc(nc1)NCc2cn[nH]c2 27a_100000737208_100000686858 [0,1,0,0,1,0|2,0,0]=4 5662 B15R2.100 Brc1ccc(nc1)NCc2cnco2 27a_100020634212_100000686858 [0,1,0,0,1,0|2,0,0]=4 5663 B15R2.100 Brc1ccc(nc1)NCc2cncs2 27a_100016987365_100000686858 [0,1,0,0,1,0|2,0,0]=4 5664 B15R2.100 Brc1ccc(nc1)NCc2cocn2 27a_100015188801_100000686858 [0,1,0,0,1,0|2,0,0]=4 5665 B15R2.100 Brc1ccc(nc1)NCc2cscn2 27a_100015185402_100000686858 [0,1,0,0,1,0|2,0,0]=4 5666 B15R2.100 Brc1ccc(nc1)NCc2ncc[nH]2 27a_100000754540_100000686858 [0,1,0,0,1,0|2,0,0]=4 5667 B15R2.100 Brc1ccc(nc1)NCc2ncco2 27a_100016994969_100000686858 [0,1,0,0,1,0|2,0,0]=4 5668 B15R2.100 Brc1ccc(nc1)NCc2nccs2 27a_100000740555_100000686858 [0,1,0,0,1,0|2,0,0]=4 5669 B15R2.100 Cc1ccc(cc1)NCc2c[nH]cn2 34a_100000124888_100000707719 [0,1,0,0,1,0|1,0,0]=3 5670 B15R2.100 Cc1ccc(cc1)NCc2cc[nH]n2 207a_100000124888_100000738523 [0,1,0,0,1,0|1,0,0]=3 5671 B15R2.100 Cc1ccc(cc1)NCc2ccco2 207a_100000124888_100000186105 [0,1,0,0,1,0|1,0,0]=3 5672 B15R2.100 Cc1ccc(cc1)NCc2ccco2 270302a_100000124888_100000186105 [0,1,0,0,1,0|1,0,0]=3 5673 B15R2.100 Cc1ccc(cc1)NCc2cccs2 207a_100000124888_100000209959 [0,1,0,0,1,0|1,0,0]=3 5674 B15R2.100 Cc1ccc(cc1)NCc2cccs2 270302a_100000124888_100000209959 [0,1,0,0,1,0|1,0,0]=3 5675 B15R2.100 Cc1ccc(cc1)NCc2ccn[nH]2 34a_100000124888_100000728653 [0,1,0,0,1,0|1,0,0]=3 5676 B15R2.100 Cc1ccc(cc1)NCc2ccoc2 207a_100000124888_100011215517 [0,1,0,0,1,0|1,0,0]=3 5677 B15R2.100 Cc1ccc(cc1)NCc2ccon2 34a_100000124888_100000234950 [0,1,0,0,1,0|1,0,0]=3 5678 B15R2.100 Cc1ccc(cc1)NCc2ccsc2 207a_100000124888_100000188534 [0,1,0,0,1,0|1,0,0]=3 5679 B15R2.100 Cc1ccc(cc1)NCc2ccsc2 270302a_100000124888_100000188534 [0,1,0,0,1,0|1,0,0]=3 5680 B15R2.100 Cc1ccc(cc1)NCc2ccsc2 34a_100000124888_100011261437 [0,1,0,0,1,0|1,0,0]=3 5681 B15R2.100 Cc1ccc(cc1)NCc2cn[nH]c2 207a_100000124888_100016992096 [0,1,0,0,1,0|1,0,0]=3 5682 B15R2.100 Cc1ccc(cc1)NCc2cn[nH]c2 270302a_100000124888_100016992096 [0,1,0,0,1,0|1,0,0]=3 5683 B15R2.100 Cc1ccc(cc1)NCc2cnc[nH]2 207a_100000124888_100000742939 [0,1,0,0,1,0|1,0,0]=3 5684 B15R2.100 Cc1ccc(cc1)NCc2cncs2 207a_100000124888_100000749870 [0,1,0,0,1,0|1,0,0]=3 5685 B15R2.100 Cc1ccc(cc1)NCc2cncs2 270302a_100000124888_100000749870 [0,1,0,0,1,0|1,0,0]=3 5686 B15R2.100 Cc1ccc(cc1)NCc2cncs2 34a_100000124888_100015185245 [0,1,0,0,1,0|1,0,0]=3 5687 B15R2.100 Cc1ccc(cc1)NCc2cscn2 207a_100000124888_100000743575 [0,1,0,0,1,0|1,0,0]=3 5688 B15R2.100 Cc1ccc(cc1)NCc2cscn2 270302a_100000124888_100000743575 [0,1,0,0,1,0|1,0,0]=3 5689 B15R2.100 Cc1ccc(cc1)NCc2cscn2 34a_100000124888_100000205941 [0,1,0,0,1,0|1,0,0]=3 5690 B15R2.100 Cc1ccc(cc1)NCc2ncc[nH]2 207a_100000124888_100000743867 [0,1,0,0,1,0|1,0,0]=3 5691 B15R2.100 Cc1ccc(cc1)NCc2ncc[nH]2 34a_100000124888_100016991755 [0,1,0,0,1,0|1,0,0]=3 5692 B15R2.100 Cc1ccc(cc1)NCc2ncco2 34a_100000124888_103436540062 [0,1,0,0,1,0|1,0,0]=3 5693 B15R2.100 Cc1ccc(cc1)NCc2nccs2 207a_100000124888_100000750902 [0,1,0,0,1,0|1,0,0]=3 5694 B15R2.100 Cc1ccc(cc1)NCc2nccs2 270302a_100000124888_100000750902 [0,1,0,0,1,0|1,0,0]=3 5695 B15R2.100 Cc1ccc(cc1)NCc2nccs2 34a_100000124888_100015184050 [0,1,0,0,1,0|1,0,0]=3 5696 B15R2.100 Cc1ccc(cc1)NCc2ncon2 34a_100000124888_100000233494 [0,1,0,0,1,0|2,0,0]=4 5697 B15R2.100 Cc1ccc(cc1)NCn2cncn2 34a_100000124888_200020645497 [0,1,0,0,1,0|2,0,0]=4 5698 B15R2.100 Cc1ccc(cc1)OCc2c[nH]cn2 34a_100000210336_100000707719 [0,1,0,0,1,0|2,0,0]=4 5699 B15R2.100 Cc1ccc(cc1)OCc2ccn[nH]2 34a_100000210336_100000728653 [0,1,0,0,1,0|2,0,0]=4 5700 B15R2.100 Cc1ccc(cc1)OCc2ccn[nH]2 7a_100000210336_100000728653 [0,1,0,0,1,0|2,0,0]=4 5701 B15R2.100 Cc1ccc(cc1)OCc2ccon2 34a_100000210336_100000234950 [0,1,0,0,1,0|2,0,0]=4 5702 B15R2.100 Cc1ccc(cc1)OCc2ccon2 7a_100000210336_100000234950 [0,1,0,0,1,0|2,0,0]=4 5703 B15R2.100 Cc1ccc(cc1)OCc2ccsc2 34a_100000210336_100011261437 [0,1,0,0,1,0|2,0,0]=4 5704 B15R2.100 Cc1ccc(cc1)OCc2ccsc2 7a_100000210336_100011261437 [0,1,0,0,1,0|2,0,0]=4 5705 B15R2.100 Cc1ccc(cc1)OCc2cncs2 34a_100000210336_100015185245 [0,1,0,0,1,0|2,0,0]=4 5706 B15R2.100 Cc1ccc(cc1)OCc2cncs2 7a_100000210336_100015185245 [0,1,0,0,1,0|2,0,0]=4 5707 B15R2.100 Cc1ccc(cc1)OCc2cscn2 34a_100000210336_100000205941 [0,1,0,0,1,0|2,0,0]=4 5708 B15R2.100 Cc1ccc(cc1)OCc2cscn2 7a_100000210336_100000205941 [0,1,0,0,1,0|2,0,0]=4 5709 B15R2.100 Cc1ccc(cc1)OCc2ncc[nH]2 34a_100000210336_100016991755 [0,1,0,0,1,0|2,0,0]=4 5710 B15R2.100 Cc1ccc(cc1)OCc2ncc[nH]2 7a_100000210336_100000753453 [0,1,0,0,1,0|2,0,0]=4 5711 B15R2.100 Cc1ccc(cc1)OCc2ncco2 34a_100000210336_103436540062 [0,1,0,0,1,0|2,0,0]=4 5712 B15R2.100 Cc1ccc(cc1)OCc2ncco2 7a_100000210336_103436540062 [0,1,0,0,1,0|2,0,0]=4 5713 B15R2.100 Cc1ccc(cc1)OCc2nccs2 34a_100000210336_100015184050 [0,1,0,0,1,0|2,0,0]=4 5714 B15R2.100 Cc1ccc(cc1)OCc2nccs2 7a_100000210336_100015184050 [0,1,0,0,1,0|2,0,0]=4 5715 B15R2.100 Cc1ccc(cc1)SCc2c[nH]cn2 62a_100000186775_100000707719 [0,1,0,0,1,0|2,0,0]=4 5716 B15R2.100 Cc1ccc(cc1)SCc2c[nH]cn2 62a_100000707719_100000186775 [0,1,0,0,1,0|2,0,0]=4 5717 B15R2.100 Cc1ccc(cc1)SCc2ccn[nH]2 62a_100000186775_100000728653 [0,1,0,0,1,0|2,0,0]=4 5718 B15R2.100 Cc1ccc(cc1)SCc2ccn[nH]2 62a_100000728653_100000186775 [0,1,0,0,1,0|2,0,0]=4 5719 B15R2.100 Cc1ccc(cc1)SCc2ccon2 62a_100000186775_100000234950 [0,1,0,0,1,0|2,0,0]=4 5720 B15R2.100 Cc1ccc(cc1)SCc2ccon2 62a_100000234950_100000186775 [0,1,0,0,1,0|2,0,0]=4 5721 B15R2.100 Cc1ccc(cc1)SCc2ccsc2 62a_100000186775_100011233845 [0,1,0,0,1,0|2,0,0]=4 5722 B15R2.100 Cc1ccc(cc1)SCc2ccsc2 62a_100011261437_100000186775 [0,1,0,0,1,0|2,0,0]=4 5723 B15R2.100 Cc1ccc(cc1)SCc2cncs2 62a_100000186775_100015185245 [0,1,0,0,1,0|2,0,0]=4 5724 B15R2.100 Cc1ccc(cc1)SCc2cncs2 62a_100015185245_100000186775 [0,1,0,0,1,0|2,0,0]=4 5725 B15R2.100 Cc1ccc(cc1)SCc2cscn2 62a_100000186775_100000205941 [0,1,0,0,1,0|2,0,0]=4 5726 B15R2.100 Cc1ccc(cc1)SCc2cscn2 62a_100000205941_100000186775 [0,1,0,0,1,0|2,0,0]=4 5727 B15R2.100 Cc1ccc(cc1)SCc2ncc[nH]2 62a_100000186775_100016991755 [0,1,0,0,1,0|2,0,0]=4 5728 B15R2.100 Cc1ccc(cc1)SCc2ncc[nH]2 62a_100016991755_100000186775 [0,1,0,0,1,0|2,0,0]=4 5729 B15R2.100 Cc1ccc(cc1)SCc2ncco2 62a_100000186775_103436540062 [0,1,0,0,1,0|2,0,0]=4 5730 B15R2.100 Cc1ccc(cc1)SCc2ncco2 62a_103436540062_100000186775 [0,1,0,0,1,0|2,0,0]=4 5731 B15R2.100 Cc1ccc(cc1)SCc2nccs2 62a_100000186775_100015184050 [0,1,0,0,1,0|2,0,0]=4 5732 B15R2.100 Cc1ccc(cc1)SCc2nccs2 62a_100015184050_100000186775 [0,1,0,0,1,0|2,0,0]=4 5733 B15R2.100 Cc1ccc(cn1)COc2ccsc2 34a_100000106738_100016987292 [0,1,0,0,1,0|2,0,0]=4 5734 B15R2.100 Cc1ccc(cn1)COc2ccsc2 7a_100000106738_100016987292 [0,1,0,0,1,0|2,0,0]=4 5735 B15R2.100 Cc1ccc(cn1)CSc2ccco2 62a_100009814098_100016987292 [0,1,0,0,1,0|2,0,0]=4 5736 B15R2.100 Cc1ccc(cn1)CSc2ccco2 62a_100016987292_100009814098 [0,1,0,0,1,0|2,0,0]=4 5737 B15R2.100 Cc1ccc(cn1)CSc2cccs2 62a_100011215356_100016987292 [0,1,0,0,1,0|2,0,0]=4 5738 B15R2.100 Cc1ccc(cn1)CSc2cccs2 62a_100016987292_100011215356 [0,1,0,0,1,0|2,0,0]=4 5739 B15R2.100 Cc1ccc(cn1)CSc2ccoc2 62a_100011215275_100016987292 [0,1,0,0,1,0|2,0,0]=4 5740 B15R2.100 Cc1ccc(cn1)CSc2ccoc2 62a_100016987292_100011215275 [0,1,0,0,1,0|2,0,0]=4 5741 B15R2.100 Cc1ccc(cn1)CSc2ccsc2 62a_100000738268_100016987292 [0,1,0,0,1,0|2,0,0]=4 5742 B15R2.100 Cc1ccc(cn1)CSc2ccsc2 62a_100016987292_100000738268 [0,1,0,0,1,0|2,0,0]=4 5743 B15R2.100 Clc1ccc(cc1)NCc2c[nH]cn2 2230a_100000210052_100000707719 [0,1,0,0,1,0|1,0,0]=3 5744 B15R2.100 Clc1ccc(cc1)NCc2c[nH]cn2 34a_100000210052_100000707719 [0,1,0,0,1,0|1,0,0]=3 5745 B15R2.100 Clc1ccc(cc1)NCc2cc[nH]n2 207a_100000210052_100000738523 [0,1,0,0,1,0|1,0,0]=3 5746 B15R2.100 Clc1ccc(cc1)NCc2ccco2 207a_100000210052_100000186105 [0,1,0,0,1,0|1,0,0]=3 5747 B15R2.100 Clc1ccc(cc1)NCc2ccco2 270302a_100000210052_100000186105 [0,1,0,0,1,0|1,0,0]=3 5748 B15R2.100 Clc1ccc(cc1)NCc2cccs2 207a_100000210052_100000209959 [0,1,0,0,1,0|1,0,0]=3 5749 B15R2.100 Clc1ccc(cc1)NCc2cccs2 270302a_100000210052_100000209959 [0,1,0,0,1,0|1,0,0]=3 5750 B15R2.100 Clc1ccc(cc1)NCc2ccn[nH]2 2230a_100000210052_100000728653 [0,1,0,0,1,0|1,0,0]=3 5751 B15R2.100 Clc1ccc(cc1)NCc2ccn[nH]2 34a_100000210052_100000728653 [0,1,0,0,1,0|1,0,0]=3 5752 B15R2.100 Clc1ccc(cc1)NCc2ccoc2 207a_100000210052_100011215517 [0,1,0,0,1,0|1,0,0]=3 5753 B15R2.100 Clc1ccc(cc1)NCc2ccon2 2230a_100000210052_100000234950 [0,1,0,0,1,0|1,0,0]=3 5754 B15R2.100 Clc1ccc(cc1)NCc2ccon2 34a_100000210052_100000234950 [0,1,0,0,1,0|1,0,0]=3 5755 B15R2.100 Clc1ccc(cc1)NCc2ccsc2 207a_100000210052_100000188534 [0,1,0,0,1,0|1,0,0]=3 5756 B15R2.100 Clc1ccc(cc1)NCc2ccsc2 2230a_100000210052_100011261437 [0,1,0,0,1,0|1,0,0]=3 5757 B15R2.100 Clc1ccc(cc1)NCc2ccsc2 270302a_100000210052_100000188534 [0,1,0,0,1,0|1,0,0]=3 5758 B15R2.100 Clc1ccc(cc1)NCc2ccsc2 34a_100000210052_100011261437 [0,1,0,0,1,0|1,0,0]=3 5759 B15R2.100 Clc1ccc(cc1)NCc2cn[nH]c2 207a_100000210052_100016992096 [0,1,0,0,1,0|1,0,0]=3 5760 B15R2.100 Clc1ccc(cc1)NCc2cn[nH]c2 270302a_100000210052_100016992096 [0,1,0,0,1,0|1,0,0]=3 5761 B15R2.100 Clc1ccc(cc1)NCc2cnc[nH]2 207a_100000210052_100000742939 [0,1,0,0,1,0|1,0,0]=3 5762 B15R2.100 Clc1ccc(cc1)NCc2cncs2 207a_100000210052_100000749870 [0,1,0,0,1,0|1,0,0]=3 5763 B15R2.100 Clc1ccc(cc1)NCc2cncs2 2230a_100000210052_100015185245 [0,1,0,0,1,0|1,0,0]=3 5764 B15R2.100 Clc1ccc(cc1)NCc2cncs2 270302a_100000210052_100000749870 [0,1,0,0,1,0|1,0,0]=3 5765 B15R2.100 Clc1ccc(cc1)NCc2cncs2 34a_100000210052_100015185245 [0,1,0,0,1,0|1,0,0]=3 5766 B15R2.100 Clc1ccc(cc1)NCc2cscn2 207a_100000210052_100000743575 [0,1,0,0,1,0|1,0,0]=3 5767 B15R2.100 Clc1ccc(cc1)NCc2cscn2 2230a_100000210052_100000205941 [0,1,0,0,1,0|1,0,0]=3 5768 B15R2.100 Clc1ccc(cc1)NCc2cscn2 270302a_100000210052_100000743575 [0,1,0,0,1,0|1,0,0]=3 5769 B15R2.100 Clc1ccc(cc1)NCc2cscn2 34a_100000210052_100000205941 [0,1,0,0,1,0|1,0,0]=3 5770 B15R2.100 Clc1ccc(cc1)NCc2ncc[nH]2 207a_100000210052_100000743867 [0,1,0,0,1,0|1,0,0]=3 5771 B15R2.100 Clc1ccc(cc1)NCc2ncc[nH]2 2230a_100000210052_100016991755 [0,1,0,0,1,0|1,0,0]=3 5772 B15R2.100 Clc1ccc(cc1)NCc2ncc[nH]2 34a_100000210052_100016991755 [0,1,0,0,1,0|1,0,0]=3 5773 B15R2.100 Clc1ccc(cc1)NCc2ncco2 2230a_100000210052_103436540062 [0,1,0,0,1,0|1,0,0]=3 5774 B15R2.100 Clc1ccc(cc1)NCc2ncco2 34a_100000210052_103436540062 [0,1,0,0,1,0|1,0,0]=3 5775 B15R2.100 Clc1ccc(cc1)NCc2nccs2 207a_100000210052_100000750902 [0,1,0,0,1,0|1,0,0]=3 5776 B15R2.100 Clc1ccc(cc1)NCc2nccs2 2230a_100000210052_100015184050 [0,1,0,0,1,0|1,0,0]=3 5777 B15R2.100 Clc1ccc(cc1)NCc2nccs2 270302a_100000210052_100000750902 [0,1,0,0,1,0|1,0,0]=3 5778 B15R2.100 Clc1ccc(cc1)NCc2nccs2 34a_100000210052_100015184050 [0,1,0,0,1,0|1,0,0]=3 5779 B15R2.100 Clc1ccc(cc1)NCc2ncon2 34a_100000210052_100000233494 [0,1,0,0,1,0|2,0,0]=4 5780 B15R2.100 Clc1ccc(cc1)NCn2cncn2 2230a_100000210052_200020645497 [0,1,0,0,1,0|2,0,0]=4 5781 B15R2.100 Clc1ccc(cc1)NCn2cncn2 34a_100000210052_200020645497 [0,1,0,0,1,0|2,0,0]=4 5782 B15R2.100 Clc1ccc(cc1)OCc2c[nH]cn2 34a_100000210216_100000707719 [0,1,0,0,1,0|2,0,0]=4 5783 B15R2.100 Clc1ccc(cc1)OCc2ccn[nH]2 34a_100000210216_100000728653 [0,1,0,0,1,0|2,0,0]=4 5784 B15R2.100 Clc1ccc(cc1)OCc2ccn[nH]2 7a_100000210216_100000728653 [0,1,0,0,1,0|2,0,0]=4 5785 B15R2.100 Clc1ccc(cc1)OCc2ccon2 34a_100000210216_100000234950 [0,1,0,0,1,0|2,0,0]=4 5786 B15R2.100 Clc1ccc(cc1)OCc2ccon2 7a_100000210216_100000234950 [0,1,0,0,1,0|2,0,0]=4 5787 B15R2.100 Clc1ccc(cc1)OCc2ccsc2 34a_100000210216_100011261437 [0,1,0,0,1,0|2,0,0]=4 5788 B15R2.100 Clc1ccc(cc1)OCc2ccsc2 7a_100000210216_100011261437 [0,1,0,0,1,0|2,0,0]=4 5789 B15R2.100 Clc1ccc(cc1)OCc2cncs2 34a_100000210216_100015185245 [0,1,0,0,1,0|2,0,0]=4 5790 B15R2.100 Clc1ccc(cc1)OCc2cncs2 7a_100000210216_100015185245 [0,1,0,0,1,0|2,0,0]=4 5791 B15R2.100 Clc1ccc(cc1)OCc2cscn2 34a_100000210216_100000205941 [0,1,0,0,1,0|2,0,0]=4 5792 B15R2.100 Clc1ccc(cc1)OCc2cscn2 7a_100000210216_100000205941 [0,1,0,0,1,0|2,0,0]=4 5793 B15R2.100 Clc1ccc(cc1)OCc2ncc[nH]2 34a_100000210216_100016991755 [0,1,0,0,1,0|2,0,0]=4 5794 B15R2.100 Clc1ccc(cc1)OCc2ncc[nH]2 7a_100000210216_100000753453 [0,1,0,0,1,0|2,0,0]=4 5795 B15R2.100 Clc1ccc(cc1)OCc2ncco2 34a_100000210216_103436540062 [0,1,0,0,1,0|2,0,0]=4 5796 B15R2.100 Clc1ccc(cc1)OCc2ncco2 7a_100000210216_103436540062 [0,1,0,0,1,0|2,0,0]=4 5797 B15R2.100 Clc1ccc(cc1)OCc2nccs2 34a_100000210216_100015184050 [0,1,0,0,1,0|2,0,0]=4 5798 B15R2.100 Clc1ccc(cc1)OCc2nccs2 7a_100000210216_100015184050 [0,1,0,0,1,0|2,0,0]=4 5799 B15R2.100 Clc1ccc(cc1)SCc2c[nH]cn2 62a_100000707719_100000755918 [0,1,0,0,1,0|2,0,0]=4 5800 B15R2.100 Clc1ccc(cc1)SCc2c[nH]cn2 62a_100000755918_100000707719 [0,1,0,0,1,0|2,0,0]=4 5801 B15R2.100 Clc1ccc(cc1)SCc2ccn[nH]2 62a_100000728653_100000755918 [0,1,0,0,1,0|2,0,0]=4 5802 B15R2.100 Clc1ccc(cc1)SCc2ccn[nH]2 62a_100000755918_100000728653 [0,1,0,0,1,0|2,0,0]=4 5803 B15R2.100 Clc1ccc(cc1)SCc2ccon2 62a_100000234950_100000755918 [0,1,0,0,1,0|2,0,0]=4 5804 B15R2.100 Clc1ccc(cc1)SCc2ccon2 62a_100000755918_100000234950 [0,1,0,0,1,0|2,0,0]=4 5805 B15R2.100 Clc1ccc(cc1)SCc2ccsc2 62a_100000755918_100011233845 [0,1,0,0,1,0|2,0,0]=4 5806 B15R2.100 Clc1ccc(cc1)SCc2ccsc2 62a_100011261437_100000755918 [0,1,0,0,1,0|2,0,0]=4 5807 B15R2.100 Clc1ccc(cc1)SCc2cncs2 62a_100000755918_100015185245 [0,1,0,0,1,0|2,0,0]=4 5808 B15R2.100 Clc1ccc(cc1)SCc2cncs2 62a_100015185245_100000755918 [0,1,0,0,1,0|2,0,0]=4 5809 B15R2.100 Clc1ccc(cc1)SCc2cscn2 62a_100000205941_100000755918 [0,1,0,0,1,0|2,0,0]=4 5810 B15R2.100 Clc1ccc(cc1)SCc2cscn2 62a_100000755918_100000205941 [0,1,0,0,1,0|2,0,0]=4 5811 B15R2.100 Clc1ccc(cc1)SCc2ncc[nH]2 62a_100000755918_100016991755 [0,1,0,0,1,0|2,0,0]=4 5812 B15R2.100 Clc1ccc(cc1)SCc2ncc[nH]2 62a_100016991755_100000755918 [0,1,0,0,1,0|2,0,0]=4 5813 B15R2.100 Clc1ccc(cc1)SCc2ncco2 62a_100000755918_103436540062 [0,1,0,0,1,0|2,0,0]=4 5814 B15R2.100 Clc1ccc(cc1)SCc2ncco2 62a_103436540062_100000755918 [0,1,0,0,1,0|2,0,0]=4 5815 B15R2.100 Clc1ccc(cc1)SCc2nccs2 62a_100000755918_100015184050 [0,1,0,0,1,0|2,0,0]=4 5816 B15R2.100 Clc1ccc(cc1)SCc2nccs2 62a_100015184050_100000755918 [0,1,0,0,1,0|2,0,0]=4 5817 B15R2.100 Clc1ccc(cn1)COc2ccsc2 34a_100000106738_100000735431 [0,1,0,0,1,0|2,0,0]=4 5818 B15R2.100 Clc1ccc(cn1)COc2ccsc2 7a_100000106738_100000735431 [0,1,0,0,1,0|2,0,0]=4 5819 B15R2.100 Clc1ccc(cn1)CSc2ccco2 62a_100000735431_100009814098 [0,1,0,0,1,0|2,0,0]=4 5820 B15R2.100 Clc1ccc(cn1)CSc2ccco2 62a_100009814098_100000735431 [0,1,0,0,1,0|2,0,0]=4 5821 B15R2.100 Clc1ccc(cn1)CSc2cccs2 62a_100000735431_100011215356 [0,1,0,0,1,0|2,0,0]=4 5822 B15R2.100 Clc1ccc(cn1)CSc2cccs2 62a_100011215356_100000735431 [0,1,0,0,1,0|2,0,0]=4 5823 B15R2.100 Clc1ccc(cn1)CSc2ccoc2 62a_100000735431_100011215275 [0,1,0,0,1,0|2,0,0]=4 5824 B15R2.100 Clc1ccc(cn1)CSc2ccoc2 62a_100011215275_100000735431 [0,1,0,0,1,0|2,0,0]=4 5825 B15R2.100 Clc1ccc(cn1)CSc2ccsc2 62a_100000735431_100000738268 [0,1,0,0,1,0|2,0,0]=4 5826 B15R2.100 Clc1ccc(cn1)CSc2ccsc2 62a_100000738268_100000735431 [0,1,0,0,1,0|2,0,0]=4 5827 B15R2.100 Fc1ccc(cc1)NCc2c[nH]cn2 34a_100000185862_100000707719 [0,1,0,0,1,0|1,0,0]=3 5828 B15R2.100 Fc1ccc(cc1)NCc2cc[nH]n2 207a_100000185862_100000738523 [0,1,0,0,1,0|1,0,0]=3 5829 B15R2.100 Fc1ccc(cc1)NCc2ccco2 207a_100000185862_100000186105 [0,1,0,0,1,0|1,0,0]=3 5830 B15R2.100 Fc1ccc(cc1)NCc2ccco2 270302a_100000185862_100000186105 [0,1,0,0,1,0|1,0,0]=3 5831 B15R2.100 Fc1ccc(cc1)NCc2cccs2 207a_100000185862_100000209959 [0,1,0,0,1,0|1,0,0]=3 5832 B15R2.100 Fc1ccc(cc1)NCc2cccs2 270302a_100000185862_100000209959 [0,1,0,0,1,0|1,0,0]=3 5833 B15R2.100 Fc1ccc(cc1)NCc2ccn[nH]2 34a_100000185862_100000728653 [0,1,0,0,1,0|1,0,0]=3 5834 B15R2.100 Fc1ccc(cc1)NCc2ccoc2 207a_100000185862_100011215517 [0,1,0,0,1,0|1,0,0]=3 5835 B15R2.100 Fc1ccc(cc1)NCc2ccon2 34a_100000185862_100000234950 [0,1,0,0,1,0|1,0,0]=3 5836 B15R2.100 Fc1ccc(cc1)NCc2ccsc2 207a_100000185862_100000188534 [0,1,0,0,1,0|1,0,0]=3 5837 B15R2.100 Fc1ccc(cc1)NCc2ccsc2 270302a_100000185862_100000188534 [0,1,0,0,1,0|1,0,0]=3 5838 B15R2.100 Fc1ccc(cc1)NCc2ccsc2 34a_100000185862_100011261437 [0,1,0,0,1,0|1,0,0]=3 5839 B15R2.100 Fc1ccc(cc1)NCc2cn[nH]c2 207a_100000185862_100016992096 [0,1,0,0,1,0|1,0,0]=3 5840 B15R2.100 Fc1ccc(cc1)NCc2cn[nH]c2 270302a_100000185862_100016992096 [0,1,0,0,1,0|1,0,0]=3 5841 B15R2.100 Fc1ccc(cc1)NCc2cnc[nH]2 207a_100000185862_100000742939 [0,1,0,0,1,0|1,0,0]=3 5842 B15R2.100 Fc1ccc(cc1)NCc2cncs2 207a_100000185862_100000749870 [0,1,0,0,1,0|1,0,0]=3 5843 B15R2.100 Fc1ccc(cc1)NCc2cncs2 270302a_100000185862_100000749870 [0,1,0,0,1,0|1,0,0]=3 5844 B15R2.100 Fc1ccc(cc1)NCc2cncs2 34a_100000185862_100015185245 [0,1,0,0,1,0|1,0,0]=3 5845 B15R2.100 Fc1ccc(cc1)NCc2cscn2 207a_100000185862_100000743575 [0,1,0,0,1,0|1,0,0]=3 5846 B15R2.100 Fc1ccc(cc1)NCc2cscn2 270302a_100000185862_100000743575 [0,1,0,0,1,0|1,0,0]=3 5847 B15R2.100 Fc1ccc(cc1)NCc2cscn2 34a_100000185862_100000205941 [0,1,0,0,1,0|1,0,0]=3 5848 B15R2.100 Fc1ccc(cc1)NCc2ncc[nH]2 207a_100000185862_100000743867 [0,1,0,0,1,0|1,0,0]=3 5849 B15R2.100 Fc1ccc(cc1)NCc2ncc[nH]2 34a_100000185862_100016991755 [0,1,0,0,1,0|1,0,0]=3 5850 B15R2.100 Fc1ccc(cc1)NCc2ncco2 34a_100000185862_103436540062 [0,1,0,0,1,0|1,0,0]=3 5851 B15R2.100 Fc1ccc(cc1)NCc2nccs2 207a_100000185862_100000750902 [0,1,0,0,1,0|1,0,0]=3 5852 B15R2.100 Fc1ccc(cc1)NCc2nccs2 270302a_100000185862_100000750902 [0,1,0,0,1,0|1,0,0]=3 5853 B15R2.100 Fc1ccc(cc1)NCc2nccs2 34a_100000185862_100015184050 [0,1,0,0,1,0|1,0,0]=3 5854 B15R2.100 Fc1ccc(cc1)NCc2ncon2 34a_100000185862_100000233494 [0,1,0,0,1,0|2,0,0]=4 5855 B15R2.100 Fc1ccc(cc1)NCn2cncn2 34a_100000185862_200020645497 [0,1,0,0,1,0|2,0,0]=4 5856 B15R2.100 Fc1ccc(cc1)OCc2c[nH]cn2 34a_100000210339_100000707719 [0,1,0,0,1,0|2,0,0]=4 5857 B15R2.100 Fc1ccc(cc1)OCc2ccn[nH]2 34a_100000210339_100000728653 [0,1,0,0,1,0|2,0,0]=4 5858 B15R2.100 Fc1ccc(cc1)OCc2ccon2 34a_100000210339_100000234950 [0,1,0,0,1,0|2,0,0]=4 5859 B15R2.100 Fc1ccc(cc1)OCc2ccsc2 34a_100000210339_100011261437 [0,1,0,0,1,0|2,0,0]=4 5860 B15R2.100 Fc1ccc(cc1)OCc2cncs2 34a_100000210339_100015185245 [0,1,0,0,1,0|2,0,0]=4 5861 B15R2.100 Fc1ccc(cc1)OCc2cscn2 34a_100000210339_100000205941 [0,1,0,0,1,0|2,0,0]=4 5862 B15R2.100 Fc1ccc(cc1)OCc2ncc[nH]2 34a_100000210339_100016991755 [0,1,0,0,1,0|2,0,0]=4 5863 B15R2.100 Fc1ccc(cc1)OCc2ncco2 34a_100000210339_103436540062 [0,1,0,0,1,0|2,0,0]=4 5864 B15R2.100 Fc1ccc(cc1)OCc2nccs2 34a_100000210339_100015184050 [0,1,0,0,1,0|2,0,0]=4 5865 B15R2.100 Fc1ccc(cc1)SCc2c[nH]cn2 62a_100000211213_100000707719 [0,1,0,0,1,0|2,0,0]=4 5866 B15R2.100 Fc1ccc(cc1)SCc2c[nH]cn2 62a_100000707719_100000211213 [0,1,0,0,1,0|2,0,0]=4 5867 B15R2.100 Fc1ccc(cc1)SCc2ccn[nH]2 62a_100000211213_100000728653 [0,1,0,0,1,0|2,0,0]=4 5868 B15R2.100 Fc1ccc(cc1)SCc2ccn[nH]2 62a_100000728653_100000211213 [0,1,0,0,1,0|2,0,0]=4 5869 B15R2.100 Fc1ccc(cc1)SCc2ccon2 62a_100000211213_100000234950 [0,1,0,0,1,0|2,0,0]=4 5870 B15R2.100 Fc1ccc(cc1)SCc2ccon2 62a_100000234950_100000211213 [0,1,0,0,1,0|2,0,0]=4 5871 B15R2.100 Fc1ccc(cc1)SCc2ccsc2 62a_100000211213_100011233845 [0,1,0,0,1,0|2,0,0]=4 5872 B15R2.100 Fc1ccc(cc1)SCc2ccsc2 62a_100011261437_100000211213 [0,1,0,0,1,0|2,0,0]=4 5873 B15R2.100 Fc1ccc(cc1)SCc2cncs2 62a_100000211213_100015185245 [0,1,0,0,1,0|2,0,0]=4 5874 B15R2.100 Fc1ccc(cc1)SCc2cncs2 62a_100015185245_100000211213 [0,1,0,0,1,0|2,0,0]=4 5875 B15R2.100 Fc1ccc(cc1)SCc2cscn2 62a_100000205941_100000211213 [0,1,0,0,1,0|2,0,0]=4 5876 B15R2.100 Fc1ccc(cc1)SCc2cscn2 62a_100000211213_100000205941 [0,1,0,0,1,0|2,0,0]=4 5877 B15R2.100 Fc1ccc(cc1)SCc2ncc[nH]2 62a_100000211213_100016991755 [0,1,0,0,1,0|2,0,0]=4 5878 B15R2.100 Fc1ccc(cc1)SCc2ncc[nH]2 62a_100016991755_100000211213 [0,1,0,0,1,0|2,0,0]=4 5879 B15R2.100 Fc1ccc(cc1)SCc2ncco2 62a_100000211213_103436540062 [0,1,0,0,1,0|2,0,0]=4 5880 B15R2.100 Fc1ccc(cc1)SCc2ncco2 62a_103436540062_100000211213 [0,1,0,0,1,0|2,0,0]=4 5881 B15R2.100 Fc1ccc(cc1)SCc2nccs2 62a_100000211213_100015184050 [0,1,0,0,1,0|2,0,0]=4 5882 B15R2.100 Fc1ccc(cc1)SCc2nccs2 62a_100015184050_100000211213 [0,1,0,0,1,0|2,0,0]=4 5883 B15R2.100 Fc1ccc(cn1)COc2ccsc2 34a_100000106738_100000099788 [0,1,0,0,1,0|2,0,0]=4 5884 B15R2.100 Fc1ccc(cn1)COc2ccsc2 7a_100000106738_100009820150 [0,1,0,0,1,0|2,0,0]=4 5885 B15R2.100 Fc1ccc(cn1)CSc2ccco2 62a_100009814098_100000099788 [0,1,0,0,1,0|2,0,0]=4 5886 B15R2.100 Fc1ccc(cn1)CSc2ccco2 62a_100009820150_100009814098 [0,1,0,0,1,0|2,0,0]=4 5887 B15R2.100 Fc1ccc(cn1)CSc2cccs2 62a_100009820150_100011215356 [0,1,0,0,1,0|2,0,0]=4 5888 B15R2.100 Fc1ccc(cn1)CSc2cccs2 62a_100011215356_100000099788 [0,1,0,0,1,0|2,0,0]=4 5889 B15R2.100 Fc1ccc(cn1)CSc2ccoc2 62a_100009820150_100011215275 [0,1,0,0,1,0|2,0,0]=4 5890 B15R2.100 Fc1ccc(cn1)CSc2ccoc2 62a_100011215275_100000099788 [0,1,0,0,1,0|2,0,0]=4 5891 B15R2.100 Fc1ccc(cn1)CSc2ccsc2 62a_100000738268_100000099788 [0,1,0,0,1,0|2,0,0]=4 5892 B15R2.100 Fc1ccc(cn1)CSc2ccsc2 62a_100009820150_100000738268 [0,1,0,0,1,0|2,0,0]=4 5893 B15R2.100 Ic1ccc(cc1)NCc2c[nH]cn2 34a_100000185761_100000707719 [0,1,0,0,1,0|1,0,0]=3 5894 B15R2.100 Ic1ccc(cc1)NCc2cc[nH]n2 207a_100000185761_100000738523 [0,1,0,0,1,0|1,0,0]=3 5895 B15R2.100 Ic1ccc(cc1)NCc2ccco2 207a_100000185761_100000186105 [0,1,0,0,1,0|1,0,0]=3 5896 B15R2.100 Ic1ccc(cc1)NCc2ccco2 270302a_100000185761_100000186105 [0,1,0,0,1,0|1,0,0]=3 5897 B15R2.100 Ic1ccc(cc1)NCc2cccs2 207a_100000185761_100000209959 [0,1,0,0,1,0|1,0,0]=3 5898 B15R2.100 Ic1ccc(cc1)NCc2cccs2 270302a_100000185761_100000209959 [0,1,0,0,1,0|1,0,0]=3 5899 B15R2.100 Ic1ccc(cc1)NCc2ccn[nH]2 34a_100000185761_100000728653 [0,1,0,0,1,0|1,0,0]=3 5900 B15R2.100 Ic1ccc(cc1)NCc2ccoc2 207a_100000185761_100011215517 [0,1,0,0,1,0|1,0,0]=3 5901 B15R2.100 Ic1ccc(cc1)NCc2ccon2 34a_100000185761_100000234950 [0,1,0,0,1,0|1,0,0]=3 5902 B15R2.100 Ic1ccc(cc1)NCc2ccsc2 207a_100000185761_100000188534 [0,1,0,0,1,0|1,0,0]=3 5903 B15R2.100 Ic1ccc(cc1)NCc2ccsc2 270302a_100000185761_100000188534 [0,1,0,0,1,0|1,0,0]=3 5904 B15R2.100 Ic1ccc(cc1)NCc2ccsc2 34a_100000185761_100011261437 [0,1,0,0,1,0|1,0,0]=3 5905 B15R2.100 Ic1ccc(cc1)NCc2cn[nH]c2 207a_100000185761_100016992096 [0,1,0,0,1,0|1,0,0]=3 5906 B15R2.100 Ic1ccc(cc1)NCc2cn[nH]c2 270302a_100000185761_100016992096 [0,1,0,0,1,0|1,0,0]=3 5907 B15R2.100 Ic1ccc(cc1)NCc2cnc[nH]2 207a_100000185761_100000742939 [0,1,0,0,1,0|1,0,0]=3 5908 B15R2.100 Ic1ccc(cc1)NCc2cncs2 207a_100000185761_100000749870 [0,1,0,0,1,0|1,0,0]=3 5909 B15R2.100 Ic1ccc(cc1)NCc2cncs2 270302a_100000185761_100000749870 [0,1,0,0,1,0|1,0,0]=3 5910 B15R2.100 Ic1ccc(cc1)NCc2cncs2 34a_100000185761_100015185245 [0,1,0,0,1,0|1,0,0]=3 5911 B15R2.100 Ic1ccc(cc1)NCc2cscn2 207a_100000185761_100000743575 [0,1,0,0,1,0|1,0,0]=3 5912 B15R2.100 Ic1ccc(cc1)NCc2cscn2 270302a_100000185761_100000743575 [0,1,0,0,1,0|1,0,0]=3 5913 B15R2.100 Ic1ccc(cc1)NCc2cscn2 34a_100000185761_100000205941 [0,1,0,0,1,0|1,0,0]=3 5914 B15R2.100 Ic1ccc(cc1)NCc2ncc[nH]2 207a_100000185761_100000743867 [0,1,0,0,1,0|1,0,0]=3 5915 B15R2.100 Ic1ccc(cc1)NCc2ncc[nH]2 34a_100000185761_100016991755 [0,1,0,0,1,0|1,0,0]=3 5916 B15R2.100 Ic1ccc(cc1)NCc2ncco2 34a_100000185761_103436540062 [0,1,0,0,1,0|1,0,0]=3 5917 B15R2.100 Ic1ccc(cc1)NCc2nccs2 207a_100000185761_100000750902 [0,1,0,0,1,0|1,0,0]=3 5918 B15R2.100 Ic1ccc(cc1)NCc2nccs2 270302a_100000185761_100000750902 [0,1,0,0,1,0|1,0,0]=3 5919 B15R2.100 Ic1ccc(cc1)NCc2nccs2 34a_100000185761_100015184050 [0,1,0,0,1,0|1,0,0]=3 5920 B15R2.100 Ic1ccc(cc1)NCc2ncon2 34a_100000185761_100000233494 [0,1,0,0,1,0|2,0,0]=4 5921 B15R2.100 Ic1ccc(cc1)NCn2cncn2 34a_100000185761_200020645497 [0,1,0,0,1,0|2,0,0]=4 5922 B15R2.100 Ic1ccc(cc1)OCc2c[nH]cn2 34a_100000212066_100000707719 [0,1,0,0,1,0|2,0,0]=4 5923 B15R2.100 Ic1ccc(cc1)OCc2ccn[nH]2 34a_100000212066_100000728653 [0,1,0,0,1,0|2,0,0]=4 5924 B15R2.100 Ic1ccc(cc1)OCc2ccn[nH]2 7a_100000212066_100000728653 [0,1,0,0,1,0|2,0,0]=4 5925 B15R2.100 Ic1ccc(cc1)OCc2ccon2 34a_100000212066_100000234950 [0,1,0,0,1,0|2,0,0]=4 5926 B15R2.100 Ic1ccc(cc1)OCc2ccon2 7a_100000212066_100000234950 [0,1,0,0,1,0|2,0,0]=4 5927 B15R2.100 Ic1ccc(cc1)OCc2ccsc2 34a_100000212066_100011261437 [0,1,0,0,1,0|2,0,0]=4 5928 B15R2.100 Ic1ccc(cc1)OCc2ccsc2 7a_100000212066_100011261437 [0,1,0,0,1,0|2,0,0]=4 5929 B15R2.100 Ic1ccc(cc1)OCc2cncs2 34a_100000212066_100015185245 [0,1,0,0,1,0|2,0,0]=4 5930 B15R2.100 Ic1ccc(cc1)OCc2cncs2 7a_100000212066_100015185245 [0,1,0,0,1,0|2,0,0]=4 5931 B15R2.100 Ic1ccc(cc1)OCc2cscn2 34a_100000212066_100000205941 [0,1,0,0,1,0|2,0,0]=4 5932 B15R2.100 Ic1ccc(cc1)OCc2cscn2 7a_100000212066_100000205941 [0,1,0,0,1,0|2,0,0]=4 5933 B15R2.100 Ic1ccc(cc1)OCc2ncc[nH]2 34a_100000212066_100016991755 [0,1,0,0,1,0|2,0,0]=4 5934 B15R2.100 Ic1ccc(cc1)OCc2ncc[nH]2 7a_100000212066_100000753453 [0,1,0,0,1,0|2,0,0]=4 5935 B15R2.100 Ic1ccc(cc1)OCc2ncco2 34a_100000212066_103436540062 [0,1,0,0,1,0|2,0,0]=4 5936 B15R2.100 Ic1ccc(cc1)OCc2ncco2 7a_100000212066_103436540062 [0,1,0,0,1,0|2,0,0]=4 5937 B15R2.100 Ic1ccc(cc1)OCc2nccs2 34a_100000212066_100015184050 [0,1,0,0,1,0|2,0,0]=4 5938 B15R2.100 Ic1ccc(cc1)OCc2nccs2 7a_100000212066_100015184050 [0,1,0,0,1,0|2,0,0]=4 5939 B15R2.100 Nc1ccc(cc1)OCc2c[nH]cn2 34a_100000185829_100000707719 [0,1,0,0,1,0|2,0,0]=4 5940 B15R2.100 Nc1ccc(cc1)OCc2ccn[nH]2 34a_100000185829_100000728653 [0,1,0,0,1,0|2,0,0]=4 5941 B15R2.100 Nc1ccc(cc1)OCc2ccon2 34a_100000185829_100000234950 [0,1,0,0,1,0|2,0,0]=4 5942 B15R2.100 Nc1ccc(cc1)OCc2ccsc2 34a_100000185829_100011261437 [0,1,0,0,1,0|2,0,0]=4 5943 B15R2.100 Nc1ccc(cc1)OCc2cncs2 34a_100000185829_100015185245 [0,1,0,0,1,0|2,0,0]=4 5944 B15R2.100 Nc1ccc(cc1)OCc2cscn2 34a_100000185829_100000205941 [0,1,0,0,1,0|2,0,0]=4 5945 B15R2.100 Nc1ccc(cc1)OCc2ncc[nH]2 34a_100000185829_100016991755 [0,1,0,0,1,0|2,0,0]=4 5946 B15R2.100 Nc1ccc(cc1)OCc2ncco2 34a_100000185829_103436540062 [0,1,0,0,1,0|2,0,0]=4 5947 B15R2.100 Nc1ccc(cc1)OCc2nccs2 34a_100000185829_100015184050 [0,1,0,0,1,0|2,0,0]=4 5948 B15R2.100 Nc1ccc(cc1)SCc2c[nH]cn2 62a_100000185761_100000707719 [0,1,0,0,1,0|2,0,0]=4 5949 B15R2.100 Nc1ccc(cc1)SCc2c[nH]cn2 62a_100000707719_100000185761 [0,1,0,0,1,0|2,0,0]=4 5950 B15R2.100 Nc1ccc(cc1)SCc2ccn[nH]2 62a_100000185761_100000728653 [0,1,0,0,1,0|2,0,0]=4 5951 B15R2.100 Nc1ccc(cc1)SCc2ccn[nH]2 62a_100000728653_100000185761 [0,1,0,0,1,0|2,0,0]=4 5952 B15R2.100 Nc1ccc(cc1)SCc2ccon2 62a_100000185761_100000234950 [0,1,0,0,1,0|2,0,0]=4 5953 B15R2.100 Nc1ccc(cc1)SCc2ccon2 62a_100000234950_100000185761 [0,1,0,0,1,0|2,0,0]=4 5954 B15R2.100 Nc1ccc(cc1)SCc2ccsc2 62a_100000185761_100011233845 [0,1,0,0,1,0|2,0,0]=4 5955 B15R2.100 Nc1ccc(cc1)SCc2ccsc2 62a_100011261437_100000185761 [0,1,0,0,1,0|2,0,0]=4 5956 B15R2.100 Nc1ccc(cc1)SCc2cncs2 62a_100000185761_100015185245 [0,1,0,0,1,0|2,0,0]=4 5957 B15R2.100 Nc1ccc(cc1)SCc2cncs2 62a_100015185245_100000185761 [0,1,0,0,1,0|2,0,0]=4 5958 B15R2.100 Nc1ccc(cc1)SCc2cscn2 62a_100000185761_100000205941 [0,1,0,0,1,0|2,0,0]=4 5959 B15R2.100 Nc1ccc(cc1)SCc2cscn2 62a_100000205941_100000185761 [0,1,0,0,1,0|2,0,0]=4 5960 B15R2.100 Nc1ccc(cc1)SCc2ncc[nH]2 62a_100000185761_100016991755 [0,1,0,0,1,0|2,0,0]=4 5961 B15R2.100 Nc1ccc(cc1)SCc2ncc[nH]2 62a_100016991755_100000185761 [0,1,0,0,1,0|2,0,0]=4 5962 B15R2.100 Nc1ccc(cc1)SCc2ncco2 62a_100000185761_103436540062 [0,1,0,0,1,0|2,0,0]=4 5963 B15R2.100 Nc1ccc(cc1)SCc2ncco2 62a_103436540062_100000185761 [0,1,0,0,1,0|2,0,0]=4 5964 B15R2.100 Nc1ccc(cc1)SCc2nccs2 62a_100000185761_100015184050 [0,1,0,0,1,0|2,0,0]=4 5965 B15R2.100 Nc1ccc(cc1)SCc2nccs2 62a_100015184050_100000185761 [0,1,0,0,1,0|2,0,0]=4 5966 B15R2.100 Oc1ccc(cc1)NCc2c[nH]cn2 34a_100000185829_100000707719 [0,1,0,0,1,0|1,0,0]=3 5967 B15R2.100 Oc1ccc(cc1)NCc2ccco2 270302a_100000185829_100000186105 [0,1,0,0,1,0|1,0,0]=3 5968 B15R2.100 Oc1ccc(cc1)NCc2cccs2 270302a_100000185829_100000209959 [0,1,0,0,1,0|1,0,0]=3 5969 B15R2.100 Oc1ccc(cc1)NCc2cccs2 271570a_203496583355_100000188760 [0,1,0,0,1,0|1,0,0]=3 5970 B15R2.100 Oc1ccc(cc1)NCc2ccn[nH]2 34a_100000185829_100000728653 [0,1,0,0,1,0|1,0,0]=3 5971 B15R2.100 Oc1ccc(cc1)NCc2ccon2 34a_100000185829_100000234950 [0,1,0,0,1,0|1,0,0]=3 5972 B15R2.100 Oc1ccc(cc1)NCc2ccsc2 270302a_100000185829_100000188534 [0,1,0,0,1,0|1,0,0]=3 5973 B15R2.100 Oc1ccc(cc1)NCc2ccsc2 34a_100000185829_100011261437 [0,1,0,0,1,0|1,0,0]=3 5974 B15R2.100 Oc1ccc(cc1)NCc2cn[nH]c2 270302a_100000185829_100016992096 [0,1,0,0,1,0|1,0,0]=3 5975 B15R2.100 Oc1ccc(cc1)NCc2cncs2 270302a_100000185829_100000749870 [0,1,0,0,1,0|1,0,0]=3 5976 B15R2.100 Oc1ccc(cc1)NCc2cncs2 34a_100000185829_100015185245 [0,1,0,0,1,0|1,0,0]=3 5977 B15R2.100 Oc1ccc(cc1)NCc2cscn2 270302a_100000185829_100000743575 [0,1,0,0,1,0|1,0,0]=3 5978 B15R2.100 Oc1ccc(cc1)NCc2cscn2 34a_100000185829_100000205941 [0,1,0,0,1,0|1,0,0]=3 5979 B15R2.100 Oc1ccc(cc1)NCc2ncc[nH]2 34a_100000185829_100016991755 [0,1,0,0,1,0|1,0,0]=3 5980 B15R2.100 Oc1ccc(cc1)NCc2ncco2 34a_100000185829_103436540062 [0,1,0,0,1,0|1,0,0]=3 5981 B15R2.100 Oc1ccc(cc1)NCc2nccs2 270302a_100000185829_100000750902 [0,1,0,0,1,0|1,0,0]=3 5982 B15R2.100 Oc1ccc(cc1)NCc2nccs2 34a_100000185829_100015184050 [0,1,0,0,1,0|1,0,0]=3 5983 B15R2.100 Oc1ccc(cc1)NCc2ncon2 34a_100000185829_100000233494 [0,1,0,0,1,0|2,0,0]=4 5984 B15R2.100 Oc1ccc(cc1)NCn2cncn2 34a_100000185829_200020645497 [0,1,0,0,1,0|2,0,0]=4 5985 B15R2.100 Oc1ccc(cc1)SCc2c[nH]cn2 62a_100000707719_100000185759 [0,1,0,0,1,0|2,0,0]=4 5986 B15R2.100 Oc1ccc(cc1)SCc2ccn[nH]2 62a_100000728653_100000185759 [0,1,0,0,1,0|2,0,0]=4 5987 B15R2.100 Oc1ccc(cc1)SCc2ccon2 62a_100000234950_100000185759 [0,1,0,0,1,0|2,0,0]=4 5988 B15R2.100 Oc1ccc(cc1)SCc2ccsc2 62a_100011261437_100000185759 [0,1,0,0,1,0|2,0,0]=4 5989 B15R2.100 Oc1ccc(cc1)SCc2cncs2 62a_100015185245_100000185759 [0,1,0,0,1,0|2,0,0]=4 5990 B15R2.100 Oc1ccc(cc1)SCc2cscn2 62a_100000205941_100000185759 [0,1,0,0,1,0|2,0,0]=4 5991 B15R2.100 Oc1ccc(cc1)SCc2ncc[nH]2 62a_100016991755_100000185759 [0,1,0,0,1,0|2,0,0]=4 5992 B15R2.100 Oc1ccc(cc1)SCc2ncco2 62a_103436540062_100000185759 [0,1,0,0,1,0|2,0,0]=4 5993 B15R2.100 Oc1ccc(cc1)SCc2nccs2 62a_100015184050_100000185759 [0,1,0,0,1,0|2,0,0]=4 5994 B15R2.283 Brc1cc(cs1)CNc2ccccc2 207a_100000106764_100000737087 [0,1,0,0,1,0|1,0,0]=3 5995 B15R2.283 Brc1cc(cs1)CNc2ccccc2 270302a_100000106764_100000737087 [0,1,0,0,1,0|1,0,0]=3 5996 B15R2.283 Brc1cc(on1)CNc2ccccc2 270302a_100000106764_100009819588 [0,1,0,0,1,0|1,0,0]=3 5997 B15R2.283 Brc1cc(on1)COc2ccccc2 7a_100000210340_100000709089 [0,1,0,0,1,0|2,0,0]=4 5998 B15R2.283 Brc1cc(on1)CSc2ccccc2 62a_100000709089_100000041952 [0,1,0,0,1,0|2,0,0]=4 5999 B15R2.283 Brc1cc(on1)CSc2ccccc2 62a_100000719477_100000709089 [0,1,0,0,1,0|2,0,0]=4 6000 B15R2.283 Brc1ccc(o1)CNc2ccccc2 207a_100000106764_100000185145 [0,1,0,0,1,0|1,0,0]=3 6001 B15R2.283 Brc1ccc(s1)CNc2ccccc2 207a_100000106764_100000179771 [0,1,0,0,1,0|1,0,0]=3 6002 B15R2.283 Brc1ccc(s1)CNc2ccccc2 270302a_100000106764_100000179771 [0,1,0,0,1,0|1,0,0]=3 6003 B15R2.283 Brc1ccc(s1)CNc2ccccc2 34a_100000106764_100000708592 [0,1,0,0,1,0|1,0,0]=3 6004 B15R2.283 Brc1ccc(s1)COc2ccccc2 34a_100000210340_100000708592 [0,1,0,0,1,0|2,0,0]=4 6005 B15R2.283 Brc1ccc(s1)COc2ccccc2 7a_100000210340_100000708592 [0,1,0,0,1,0|2,0,0]=4 6006 B15R2.283 Brc1ccc(s1)CSc2ccccc2 62a_100000708592_100000041952 [0,1,0,0,1,0|2,0,0]=4 6007 B15R2.283 Brc1ccc(s1)CSc2ccccc2 62a_100000719477_100000708592 [0,1,0,0,1,0|2,0,0]=4 6008 B15R2.283 Brc1ccc(s1)SCc2cccnc2 62a_100000741622_100010197418 [0,1,0,0,1,0|2,0,0]=4 6009 B15R2.283 Brc1ccc(s1)SCc2cccnc2 62a_100010197418_100000741622 [0,1,0,0,1,0|2,0,0]=4 6010 B15R2.283 Brc1cnc(s1)CNc2ccccc2 270302a_100000106764_100000699580 [0,1,0,0,1,0|1,0,0]=3 6011 B15R2.283 Brc1coc(c1)CNc2ccccc2 270302a_100000106764_100000747035 [0,1,0,0,1,0|1,0,0]=3 6012 B15R2.283 Brc1csc(c1)CNc2ccccc2 207a_100000106764_100000211722 [0,1,0,0,1,0|1,0,0]=3 6013 B15R2.283 Brc1csc(c1)CNc2ccccc2 270302a_100000106764_100000211722 [0,1,0,0,1,0|1,0,0]=3 6014 B15R2.283 Brc1csc(c1)CNc2ccccc2 34a_100000106764_100000746031 [0,1,0,0,1,0|1,0,0]=3 6015 B15R2.283 Brc1csc(c1)COc2ccccc2 34a_100000210340_100000746031 [0,1,0,0,1,0|2,0,0]=4 6016 B15R2.283 Brc1csc(c1)COc2ccccc2 7a_100000210340_100000746031 [0,1,0,0,1,0|2,0,0]=4 6017 B15R2.283 Brc1csc(c1)CSc2ccccc2 62a_100000719477_100000746031 [0,1,0,0,1,0|2,0,0]=4 6018 B15R2.283 Brc1csc(c1)CSc2ccccc2 62a_100000746031_100000041952 [0,1,0,0,1,0|2,0,0]=4 6019 B15R2.283 Brc1ncc(s1)CNc2ccccc2 34a_100000106764_100000717027 [0,1,0,0,1,0|1,0,0]=3 6020 B15R2.283 Brc1ncc(s1)COc2ccccc2 34a_100000210340_100000717027 [0,1,0,0,1,0|2,0,0]=4 6021 B15R2.283 Brc1ncc(s1)COc2ccccc2 7a_100000210340_100000717027 [0,1,0,0,1,0|2,0,0]=4 6022 B15R2.283 Brc1ncc(s1)CSc2ccccc2 62a_100000717027_100000041952 [0,1,0,0,1,0|2,0,0]=4 6023 B15R2.283 Brc1ncc(s1)CSc2ccccc2 62a_100000719477_100000717027 [0,1,0,0,1,0|2,0,0]=4 6024 B15R2.283 Cc1c[nH]c(n1)CNc2ccccc2 207a_100000106764_100000082322 [0,1,0,0,1,0|1,0,0]=3 6025 B15R2.283 Cc1cc([nH]n1)CNc2ccccc2 207a_100000106764_100000028150 [0,1,0,0,1,0|1,0,0]=3 6026 B15R2.283 Cc1cc([nH]n1)CNc2ccccc2 270302a_100000106764_100000028150 [0,1,0,0,1,0|1,0,0]=3 6027 B15R2.283 Cc1cc(cs1)CNc2ccccc2 207a_100000106764_100011998532 [0,1,0,0,1,0|1,0,0]=3 6028 B15R2.283 Cc1cc(cs1)CNc2ccccc2 270302a_100000106764_100011998532 [0,1,0,0,1,0|1,0,0]=3 6029 B15R2.283 Cc1cc(cs1)SCc2cccnc2 62a_100000741622_100000759034 [0,1,0,0,1,0|2,0,0]=4 6030 B15R2.283 Cc1cc(cs1)SCc2cccnc2 62a_100000759034_100000741622 [0,1,0,0,1,0|2,0,0]=4 6031 B15R2.283 Cc1cc(no1)CNc2ccccc2 207a_100000106764_100011217994 [0,1,0,0,1,0|1,0,0]=3 6032 B15R2.283 Cc1cc(no1)CNc2ccccc2 34a_100000106764_100000199038 [0,1,0,0,1,0|1,0,0]=3 6033 B15R2.283 Cc1cc(no1)COc2ccccc2 34a_100000210340_100000199038 [0,1,0,0,1,0|2,0,0]=4 6034 B15R2.283 Cc1cc(no1)COc2ccccc2 7a_100000210340_100000199038 [0,1,0,0,1,0|2,0,0]=4 6035 B15R2.283 Cc1cc(no1)CSc2ccccc2 62a_100000199038_100000041952 [0,1,0,0,1,0|2,0,0]=4 6036 B15R2.283 Cc1cc(no1)CSc2ccccc2 62a_100000719477_100000199038 [0,1,0,0,1,0|2,0,0]=4 6037 B15R2.283 Cc1cc(ns1)CNc2ccccc2 207a_100000106764_200000100279 [0,1,0,0,1,0|1,0,0]=3 6038 B15R2.283 Cc1cc(ns1)CNc2ccccc2 270302a_100000106764_200000100279 [0,1,0,0,1,0|1,0,0]=3 6039 B15R2.283 Cc1cc(on1)CNc2ccccc2 207a_100000106764_100011794430 [0,1,0,0,1,0|1,0,0]=3 6040 B15R2.283 Cc1cc(on1)CNc2ccccc2 270302a_100000106764_100011794430 [0,1,0,0,1,0|1,0,0]=3 6041 B15R2.283 Cc1cc(on1)CNc2ccccc2 34a_100000106764_100000707947 [0,1,0,0,1,0|1,0,0]=3 6042 B15R2.283 Cc1cc(on1)COc2ccccc2 34a_100000210340_100000707947 [0,1,0,0,1,0|2,0,0]=4 6043 B15R2.283 Cc1cc(on1)COc2ccccc2 7a_100000210340_100000707947 [0,1,0,0,1,0|2,0,0]=4 6044 B15R2.283 Cc1cc(on1)CSc2ccccc2 62a_100000707947_100000041952 [0,1,0,0,1,0|2,0,0]=4 6045 B15R2.283 Cc1cc(on1)CSc2ccccc2 62a_100000719477_100000707947 [0,1,0,0,1,0|2,0,0]=4 6046 B15R2.283 Cc1ccc(o1)CNc2ccccc2 207a_100000106764_100000183696 [0,1,0,0,1,0|1,0,0]=3 6047 B15R2.283 Cc1ccc(o1)CNc2ccccc2 270302a_100000106764_100000183696 [0,1,0,0,1,0|1,0,0]=3 6048 B15R2.283 Cc1ccc(s1)CNc2ccccc2 207a_100000106764_100000211121 [0,1,0,0,1,0|1,0,0]=3 6049 B15R2.283 Cc1ccc(s1)CNc2ccccc2 270302a_100000106764_100000211121 [0,1,0,0,1,0|1,0,0]=3 6050 B15R2.283 Cc1ccc(s1)SCc2cccnc2 62a_100000031368_100000741622 [0,1,0,0,1,0|2,0,0]=4 6051 B15R2.283 Cc1ccc(s1)SCc2cccnc2 62a_100000741622_100000031368 [0,1,0,0,1,0|2,0,0]=4 6052 B15R2.283 Cc1cnc(s1)CNc2ccccc2 207a_100000106764_100011361622 [0,1,0,0,1,0|1,0,0]=3 6053 B15R2.283 Cc1cnc(s1)CNc2ccccc2 270302a_100000106764_100011361622 [0,1,0,0,1,0|1,0,0]=3 6054 B15R2.283 Cc1csc(c1)CNc2ccccc2 207a_100000106764_100102525248 [0,1,0,0,1,0|1,0,0]=3 6055 B15R2.283 Cc1csc(c1)CNc2ccccc2 270302a_100000106764_100102525248 [0,1,0,0,1,0|1,0,0]=3 6056 B15R2.283 Cc1csc(c1)SCc2cccnc2 62a_100000741622_100009876951 [0,1,0,0,1,0|2,0,0]=4 6057 B15R2.283 Cc1csc(c1)SCc2cccnc2 62a_100009876951_100000741622 [0,1,0,0,1,0|2,0,0]=4 6058 B15R2.283 Cc1csc(n1)CNc2ccccc2 207a_100000106764_100000756994 [0,1,0,0,1,0|1,0,0]=3 6059 B15R2.283 Cc1nc(c[nH]1)CNc2ccccc2 207a_100000106764_100011219055 [0,1,0,0,1,0|1,0,0]=3 6060 B15R2.283 Cc1nc(co1)CNc2ccccc2 207a_100000106764_100011361629 [0,1,0,0,1,0|1,0,0]=3 6061 B15R2.283 Cc1nc(cs1)CNc2ccccc2 207a_100000106764_100000203724 [0,1,0,0,1,0|1,0,0]=3 6062 B15R2.283 Cc1nc(cs1)CNc2ccccc2 270302a_100000106764_100000203724 [0,1,0,0,1,0|1,0,0]=3 6063 B15R2.283 Cc1nc(cs1)CNc2ccccc2 34a_100000106764_100015186478 [0,1,0,0,1,0|1,0,0]=3 6064 B15R2.283 Cc1nc(cs1)COc2ccccc2 34a_100000210340_100015186478 [0,1,0,0,1,0|2,0,0]=4 6065 B15R2.283 Cc1nc(cs1)COc2ccccc2 7a_100000210340_100015186478 [0,1,0,0,1,0|2,0,0]=4 6066 B15R2.283 Cc1nc(cs1)CSc2ccccc2 62a_100000719477_100015186478 [0,1,0,0,1,0|2,0,0]=4 6067 B15R2.283 Cc1nc(cs1)CSc2ccccc2 62a_100015186478_100000041952 [0,1,0,0,1,0|2,0,0]=4 6068 B15R2.283 Cc1nc(no1)CNc2ccccc2 34a_100000106764_100000231061 [0,1,0,0,1,0|2,0,0]=4 6069 B15R2.283 Cc1ncc(o1)CNc2ccccc2 207a_100000106764_100000084308 [0,1,0,0,1,0|1,0,0]=3 6070 B15R2.283 Cc1ncc(o1)CNc2ccccc2 270302a_100000106764_100000084308 [0,1,0,0,1,0|1,0,0]=3 6071 B15R2.283 Cc1ncc(s1)CNc2ccccc2 207a_100000106764_100000740557 [0,1,0,0,1,0|1,0,0]=3 6072 B15R2.283 Cc1ncc(s1)CNc2ccccc2 34a_100000106764_100020635045 [0,1,0,0,1,0|1,0,0]=3 6073 B15R2.283 Cc1ncc(s1)COc2ccccc2 34a_100000210340_100020635045 [0,1,0,0,1,0|2,0,0]=4 6074 B15R2.283 Cc1ncc(s1)COc2ccccc2 7a_100000210340_100020635045 [0,1,0,0,1,0|2,0,0]=4 6075 B15R2.283 Cc1ncc(s1)CSc2ccccc2 62a_100000719477_100020635045 [0,1,0,0,1,0|2,0,0]=4 6076 B15R2.283 Cc1ncc(s1)CSc2ccccc2 62a_100020635045_100000041952 [0,1,0,0,1,0|2,0,0]=4 6077 B15R2.283 Cc1nnc(s1)CNc2ccccc2 34a_100000106764_100000688753 [0,1,0,0,1,0|2,0,0]=4 6078 B15R2.283 Cc1noc(n1)CNc2ccccc2 34a_100000106764_100000735555 [0,1,0,0,1,0|2,0,0]=4 6079 B15R2.283 Clc1cc(cs1)CNc2ccccc2 207a_100000106764_100009844934 [0,1,0,0,1,0|1,0,0]=3 6080 B15R2.283 Clc1cc(cs1)CNc2ccccc2 270302a_100000106764_100009844934 [0,1,0,0,1,0|1,0,0]=3 6081 B15R2.283 Clc1ccc(o1)CNc2ccccc2 207a_100000106764_100000188459 [0,1,0,0,1,0|1,0,0]=3 6082 B15R2.283 Clc1ccc(s1)CNc2ccccc2 207a_100000106764_100000242774 [0,1,0,0,1,0|1,0,0]=3 6083 B15R2.283 Clc1ccc(s1)CNc2ccccc2 270302a_100000106764_100000242774 [0,1,0,0,1,0|1,0,0]=3 6084 B15R2.283 Clc1ccc(s1)CNc2ccccc2 34a_100000106764_100000185097 [0,1,0,0,1,0|1,0,0]=3 6085 B15R2.283 Clc1ccc(s1)COc2ccccc2 34a_100000210340_100000185097 [0,1,0,0,1,0|2,0,0]=4 6086 B15R2.283 Clc1ccc(s1)COc2ccccc2 7a_100000210340_100000185097 [0,1,0,0,1,0|2,0,0]=4 6087 B15R2.283 Clc1ccc(s1)CSc2ccccc2 62a_100000185097_100000041952 [0,1,0,0,1,0|2,0,0]=4 6088 B15R2.283 Clc1ccc(s1)CSc2ccccc2 62a_100000719477_100000185097 [0,1,0,0,1,0|2,0,0]=4 6089 B15R2.283 Clc1cnc(s1)CNc2ccccc2 270302a_100000106764_100000699884 [0,1,0,0,1,0|1,0,0]=3 6090 B15R2.283 Clc1csc(c1)CNc2ccccc2 207a_100000106764_100000102487 [0,1,0,0,1,0|1,0,0]=3 6091 B15R2.283 Clc1csc(c1)CNc2ccccc2 270302a_100000106764_100000102487 [0,1,0,0,1,0|1,0,0]=3 6092 B15R2.283 Clc1nc(cs1)CNc2ccccc2 34a_100000106764_100000024076 [0,1,0,0,1,0|1,0,0]=3 6093 B15R2.283 Clc1nc(cs1)COc2ccccc2 34a_100000210340_100000024076 [0,1,0,0,1,0|2,0,0]=4 6094 B15R2.283 Clc1nc(cs1)COc2ccccc2 7a_100000210340_100000024076 [0,1,0,0,1,0|2,0,0]=4 6095 B15R2.283 Clc1nc(cs1)CSc2ccccc2 62a_100000024076_100000041952 [0,1,0,0,1,0|2,0,0]=4 6096 B15R2.283 Clc1nc(cs1)CSc2ccccc2 62a_100000719477_100000024076 [0,1,0,0,1,0|2,0,0]=4 6097 B15R2.283 Clc1nc(ns1)CNc2ccccc2 34a_100000106764_100000043760 [0,1,0,0,1,0|2,0,0]=4 6098 B15R2.283 Clc1ncc(s1)CNc2ccccc2 34a_100000106764_100000058068 [0,1,0,0,1,0|1,0,0]=3 6099 B15R2.283 Clc1ncc(s1)COc2ccccc2 34a_100000210340_100000058068 [0,1,0,0,1,0|2,0,0]=4 6100 B15R2.283 Clc1ncc(s1)COc2ccccc2 7a_100000210340_100000058068 [0,1,0,0,1,0|2,0,0]=4 6101 B15R2.283 Clc1ncc(s1)CSc2ccccc2 62a_100000058068_100000041952 [0,1,0,0,1,0|2,0,0]=4 6102 B15R2.283 Clc1ncc(s1)CSc2ccccc2 62a_100000719477_100000058068 [0,1,0,0,1,0|2,0,0]=4 6103 B15R2.283 Cn1cc(cn1)CNc2ccccc2 207a_100000106764_100000206001 [0,1,0,0,1,0|1,0,0]=3 6104 B15R2.283 Cn1cc(cn1)CNc2ccccc2 270302a_100000106764_100000206001 [0,1,0,0,1,0|1,0,0]=3 6105 B15R2.283 Cn1cc(cn1)CNc2ccccc2 34a_100000106764_100000744441 [0,1,0,0,1,0|1,0,0]=3 6106 B15R2.283 Cn1cc(cn1)COc2ccccc2 34a_100000210340_100000744441 [0,1,0,0,1,0|2,0,0]=4 6107 B15R2.283 Cn1cc(cn1)COc2ccccc2 7a_100000210340_100000744441 [0,1,0,0,1,0|2,0,0]=4 6108 B15R2.283 Cn1cc(cn1)CSc2ccccc2 62a_100000719477_100000744441 [0,1,0,0,1,0|2,0,0]=4 6109 B15R2.283 Cn1cc(cn1)CSc2ccccc2 62a_100000744441_100000041952 [0,1,0,0,1,0|2,0,0]=4 6110 B15R2.283 Cn1cc(nn1)CNc2ccccc2 207a_100000106764_100000749909 [0,1,0,0,1,0|2,0,0]=4 6111 B15R2.283 Cn1ccc(n1)CNc2ccccc2 207a_100000106764_100000750880 [0,1,0,0,1,0|1,0,0]=3 6112 B15R2.283 Cn1ccc(n1)CNc2ccccc2 270302a_100000106764_100000750880 [0,1,0,0,1,0|1,0,0]=3 6113 B15R2.283 Cn1ccc(n1)CNc2ccccc2 34a_100000106764_100000726502 [0,1,0,0,1,0|1,0,0]=3 6114 B15R2.283 Cn1ccc(n1)COc2ccccc2 34a_100000210340_100000726502 [0,1,0,0,1,0|2,0,0]=4 6115 B15R2.283 Cn1ccc(n1)COc2ccccc2 7a_100000210340_100000726502 [0,1,0,0,1,0|2,0,0]=4 6116 B15R2.283 Cn1ccc(n1)CSc2ccccc2 62a_100000719477_100000726502 [0,1,0,0,1,0|2,0,0]=4 6117 B15R2.283 Cn1ccc(n1)CSc2ccccc2 62a_100000726502_100000041952 [0,1,0,0,1,0|2,0,0]=4 6118 B15R2.283 Cn1cnc(c1)CNc2ccccc2 207a_100000106764_100000684808 [0,1,0,0,1,0|1,0,0]=3 6119 B15R2.283 Cn1cnc(c1)CNc2ccccc2 34a_100000106764_100000717665 [0,1,0,0,1,0|1,0,0]=3 6120 B15R2.283 Cn1cnc(c1)COc2ccccc2 34a_100000210340_100000717665 [0,1,0,0,1,0|2,0,0]=4 6121 B15R2.283 Cn1cnc(c1)COc2ccccc2 7a_100000210340_100000717665 [0,1,0,0,1,0|2,0,0]=4 6122 B15R2.283 Cn1cnc(c1)CSc2ccccc2 62a_100000717665_100000041952 [0,1,0,0,1,0|2,0,0]=4 6123 B15R2.283 Cn1cnc(c1)CSc2ccccc2 62a_100000719477_100000717665 [0,1,0,0,1,0|2,0,0]=4 6124 B15R2.283 Cn1cnc(n1)CNc2ccccc2 207a_100000106764_100010630104 [0,1,0,0,1,0|2,0,0]=4 6125 B15R2.283 Cn1cnc(n1)CNc2ccccc2 34a_100000106764_100016995526 [0,1,0,0,1,0|2,0,0]=4 6126 B15R2.283 Ic1ccc(o1)CNc2ccccc2 207a_100000106764_100000186757 [0,1,0,0,1,0|1,0,0]=3 6127 B15R2.283 Ic1csc(c1)CNc2ccccc2 207a_100000106764_100010179861 [0,1,0,0,1,0|1,0,0]=3 6128 B15R2.283 Ic1csc(c1)CNc2ccccc2 270302a_100000106764_100010179861 [0,1,0,0,1,0|1,0,0]=3 6129 B15R2.283 O=C1C=C(CO1)CNc2ccccc2 34a_100000106764_100000716558 [0,1,0,0,1,0|1,0,1]=4 6130 B15R2.562 Brc1ccccc1NCc2c[nH]cn2 34a_100000210017_100000707719 [0,1,0,0,1,0|1,0,0]=3 6131 B15R2.562 Brc1ccccc1NCc2cc[nH]n2 207a_100000210017_100000738523 [0,1,0,0,1,0|1,0,0]=3 6132 B15R2.562 Brc1ccccc1NCc2ccco2 207a_100000210017_100000186105 [0,1,0,0,1,0|1,0,0]=3 6133 B15R2.562 Brc1ccccc1NCc2cccs2 207a_100000210017_100000209959 [0,1,0,0,1,0|1,0,0]=3 6134 B15R2.562 Brc1ccccc1NCc2ccn[nH]2 34a_100000210017_100000728653 [0,1,0,0,1,0|1,0,0]=3 6135 B15R2.562 Brc1ccccc1NCc2ccoc2 207a_100000210017_100011215517 [0,1,0,0,1,0|1,0,0]=3 6136 B15R2.562 Brc1ccccc1NCc2ccon2 34a_100000210017_100000234950 [0,1,0,0,1,0|1,0,0]=3 6137 B15R2.562 Brc1ccccc1NCc2ccsc2 207a_100000210017_100000188534 [0,1,0,0,1,0|1,0,0]=3 6138 B15R2.562 Brc1ccccc1NCc2ccsc2 34a_100000210017_100011261437 [0,1,0,0,1,0|1,0,0]=3 6139 B15R2.562 Brc1ccccc1NCc2cn[nH]c2 207a_100000210017_100016992096 [0,1,0,0,1,0|1,0,0]=3 6140 B15R2.562 Brc1ccccc1NCc2cnc[nH]2 207a_100000210017_100000742939 [0,1,0,0,1,0|1,0,0]=3 6141 B15R2.562 Brc1ccccc1NCc2cncs2 207a_100000210017_100000749870 [0,1,0,0,1,0|1,0,0]=3 6142 B15R2.562 Brc1ccccc1NCc2cncs2 34a_100000210017_100015185245 [0,1,0,0,1,0|1,0,0]=3 6143 B15R2.562 Brc1ccccc1NCc2cscn2 207a_100000210017_100000743575 [0,1,0,0,1,0|1,0,0]=3 6144 B15R2.562 Brc1ccccc1NCc2cscn2 34a_100000210017_100000205941 [0,1,0,0,1,0|1,0,0]=3 6145 B15R2.562 Brc1ccccc1NCc2ncc[nH]2 207a_100000210017_100000743867 [0,1,0,0,1,0|1,0,0]=3 6146 B15R2.562 Brc1ccccc1NCc2ncc[nH]2 34a_100000210017_100016991755 [0,1,0,0,1,0|1,0,0]=3 6147 B15R2.562 Brc1ccccc1NCc2ncco2 34a_100000210017_103436540062 [0,1,0,0,1,0|1,0,0]=3 6148 B15R2.562 Brc1ccccc1NCc2nccs2 207a_100000210017_100000750902 [0,1,0,0,1,0|1,0,0]=3 6149 B15R2.562 Brc1ccccc1NCc2nccs2 34a_100000210017_100015184050 [0,1,0,0,1,0|1,0,0]=3 6150 B15R2.562 Brc1ccccc1NCc2ncon2 34a_100000210017_100000233494 [0,1,0,0,1,0|2,0,0]=4 6151 B15R2.562 Brc1ccccc1NCn2cncn2 34a_100000210017_200020645497 [0,1,0,0,1,0|2,0,0]=4 6152 B15R2.562 Brc1ccccc1OCc2c[nH]cn2 34a_100000181306_100000707719 [0,1,0,0,1,0|2,0,0]=4 6153 B15R2.562 Brc1ccccc1OCc2ccn[nH]2 34a_100000181306_100000728653 [0,1,0,0,1,0|2,0,0]=4 6154 B15R2.562 Brc1ccccc1OCc2ccn[nH]2 7a_100000181306_100000728653 [0,1,0,0,1,0|2,0,0]=4 6155 B15R2.562 Brc1ccccc1OCc2ccon2 34a_100000181306_100000234950 [0,1,0,0,1,0|2,0,0]=4 6156 B15R2.562 Brc1ccccc1OCc2ccon2 7a_100000181306_100000234950 [0,1,0,0,1,0|2,0,0]=4 6157 B15R2.562 Brc1ccccc1OCc2ccsc2 34a_100000181306_100011261437 [0,1,0,0,1,0|2,0,0]=4 6158 B15R2.562 Brc1ccccc1OCc2ccsc2 7a_100000181306_100011261437 [0,1,0,0,1,0|2,0,0]=4 6159 B15R2.562 Brc1ccccc1OCc2cncs2 34a_100000181306_100015185245 [0,1,0,0,1,0|2,0,0]=4 6160 B15R2.562 Brc1ccccc1OCc2cncs2 7a_100000181306_100015185245 [0,1,0,0,1,0|2,0,0]=4 6161 B15R2.562 Brc1ccccc1OCc2cscn2 34a_100000181306_100000205941 [0,1,0,0,1,0|2,0,0]=4 6162 B15R2.562 Brc1ccccc1OCc2cscn2 7a_100000181306_100000205941 [0,1,0,0,1,0|2,0,0]=4 6163 B15R2.562 Brc1ccccc1OCc2ncc[nH]2 34a_100000181306_100016991755 [0,1,0,0,1,0|2,0,0]=4 6164 B15R2.562 Brc1ccccc1OCc2ncc[nH]2 7a_100000181306_100000753453 [0,1,0,0,1,0|2,0,0]=4 6165 B15R2.562 Brc1ccccc1OCc2ncco2 34a_100000181306_103436540062 [0,1,0,0,1,0|2,0,0]=4 6166 B15R2.562 Brc1ccccc1OCc2ncco2 7a_100000181306_103436540062 [0,1,0,0,1,0|2,0,0]=4 6167 B15R2.562 Brc1ccccc1OCc2nccs2 34a_100000181306_100015184050 [0,1,0,0,1,0|2,0,0]=4 6168 B15R2.562 Brc1ccccc1OCc2nccs2 7a_100000181306_100015184050 [0,1,0,0,1,0|2,0,0]=4 6169 B15R2.562 Brc1ccccc1SCc2c[nH]cn2 62a_100000695589_100000707719 [0,1,0,0,1,0|2,0,0]=4 6170 B15R2.562 Brc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000695589 [0,1,0,0,1,0|2,0,0]=4 6171 B15R2.562 Brc1ccccc1SCc2ccn[nH]2 62a_100000695589_100000728653 [0,1,0,0,1,0|2,0,0]=4 6172 B15R2.562 Brc1ccccc1SCc2ccn[nH]2 62a_100000728653_100000695589 [0,1,0,0,1,0|2,0,0]=4 6173 B15R2.562 Brc1ccccc1SCc2ccon2 62a_100000234950_100000695589 [0,1,0,0,1,0|2,0,0]=4 6174 B15R2.562 Brc1ccccc1SCc2ccon2 62a_100000695589_100000234950 [0,1,0,0,1,0|2,0,0]=4 6175 B15R2.562 Brc1ccccc1SCc2ccsc2 62a_100000695589_100011233845 [0,1,0,0,1,0|2,0,0]=4 6176 B15R2.562 Brc1ccccc1SCc2ccsc2 62a_100011261437_100000695589 [0,1,0,0,1,0|2,0,0]=4 6177 B15R2.562 Brc1ccccc1SCc2cncs2 62a_100000695589_100015185245 [0,1,0,0,1,0|2,0,0]=4 6178 B15R2.562 Brc1ccccc1SCc2cncs2 62a_100015185245_100000695589 [0,1,0,0,1,0|2,0,0]=4 6179 B15R2.562 Brc1ccccc1SCc2cscn2 62a_100000205941_100000695589 [0,1,0,0,1,0|2,0,0]=4 6180 B15R2.562 Brc1ccccc1SCc2cscn2 62a_100000695589_100000205941 [0,1,0,0,1,0|2,0,0]=4 6181 B15R2.562 Brc1ccccc1SCc2ncc[nH]2 62a_100000695589_100016991755 [0,1,0,0,1,0|2,0,0]=4 6182 B15R2.562 Brc1ccccc1SCc2ncc[nH]2 62a_100016991755_100000695589 [0,1,0,0,1,0|2,0,0]=4 6183 B15R2.562 Brc1ccccc1SCc2ncco2 62a_100000695589_103436540062 [0,1,0,0,1,0|2,0,0]=4 6184 B15R2.562 Brc1ccccc1SCc2ncco2 62a_103436540062_100000695589 [0,1,0,0,1,0|2,0,0]=4 6185 B15R2.562 Brc1ccccc1SCc2nccs2 62a_100000695589_100015184050 [0,1,0,0,1,0|2,0,0]=4 6186 B15R2.562 Brc1ccccc1SCc2nccs2 62a_100015184050_100000695589 [0,1,0,0,1,0|2,0,0]=4 6187 B15R2.562 Brc1cccnc1NCc2c[nH]cn2 27a_100000758547_100000696092 [0,1,0,0,1,0|2,0,0]=4 6188 B15R2.562 Brc1cccnc1NCc2cc[nH]n2 27a_100000739516_100000696092 [0,1,0,0,1,0|2,0,0]=4 6189 B15R2.562 Brc1cccnc1NCc2ccco2 27a_100000185738_100000696092 [0,1,0,0,1,0|2,0,0]=4 6190 B15R2.562 Brc1cccnc1NCc2cccs2 27a_100000211653_100000696092 [0,1,0,0,1,0|2,0,0]=4 6191 B15R2.562 Brc1cccnc1NCc2ccoc2 27a_100015206860_100000696092 [0,1,0,0,1,0|2,0,0]=4 6192 B15R2.562 Brc1cccnc1NCc2ccon2 27a_100000688301_100000696092 [0,1,0,0,1,0|2,0,0]=4 6193 B15R2.562 Brc1cccnc1NCc2ccsc2 27a_100000186416_100000696092 [0,1,0,0,1,0|2,0,0]=4 6194 B15R2.562 Brc1cccnc1NCc2cn[nH]c2 27a_100000737208_100000696092 [0,1,0,0,1,0|2,0,0]=4 6195 B15R2.562 Brc1cccnc1NCc2cnco2 27a_100020634212_100000696092 [0,1,0,0,1,0|2,0,0]=4 6196 B15R2.562 Brc1cccnc1NCc2cncs2 27a_100016987365_100000696092 [0,1,0,0,1,0|2,0,0]=4 6197 B15R2.562 Brc1cccnc1NCc2cocn2 27a_100015188801_100000696092 [0,1,0,0,1,0|2,0,0]=4 6198 B15R2.562 Brc1cccnc1NCc2cscn2 27a_100015185402_100000696092 [0,1,0,0,1,0|2,0,0]=4 6199 B15R2.562 Brc1cccnc1NCc2ncc[nH]2 27a_100000754540_100000696092 [0,1,0,0,1,0|2,0,0]=4 6200 B15R2.562 Brc1cccnc1NCc2ncco2 27a_100016994969_100000696092 [0,1,0,0,1,0|2,0,0]=4 6201 B15R2.562 Brc1cccnc1NCc2nccs2 27a_100000740555_100000696092 [0,1,0,0,1,0|2,0,0]=4 6202 B15R2.562 Brc1cnccc1NCc2c[nH]cn2 27a_100000758547_100000726257 [0,1,0,0,1,0|2,0,0]=4 6203 B15R2.562 Brc1cnccc1NCc2cc[nH]n2 27a_100000739516_100000726257 [0,1,0,0,1,0|2,0,0]=4 6204 B15R2.562 Brc1cnccc1NCc2ccco2 27a_100000185738_100000726257 [0,1,0,0,1,0|2,0,0]=4 6205 B15R2.562 Brc1cnccc1NCc2cccs2 27a_100000211653_100000726257 [0,1,0,0,1,0|2,0,0]=4 6206 B15R2.562 Brc1cnccc1NCc2ccoc2 27a_100015206860_100000726257 [0,1,0,0,1,0|2,0,0]=4 6207 B15R2.562 Brc1cnccc1NCc2ccon2 27a_100000688301_100000726257 [0,1,0,0,1,0|2,0,0]=4 6208 B15R2.562 Brc1cnccc1NCc2ccsc2 27a_100000186416_100000726257 [0,1,0,0,1,0|2,0,0]=4 6209 B15R2.562 Brc1cnccc1NCc2cn[nH]c2 27a_100000737208_100000726257 [0,1,0,0,1,0|2,0,0]=4 6210 B15R2.562 Brc1cnccc1NCc2cnco2 27a_100020634212_100000726257 [0,1,0,0,1,0|2,0,0]=4 6211 B15R2.562 Brc1cnccc1NCc2cncs2 27a_100016987365_100000726257 [0,1,0,0,1,0|2,0,0]=4 6212 B15R2.562 Brc1cnccc1NCc2cocn2 27a_100015188801_100000726257 [0,1,0,0,1,0|2,0,0]=4 6213 B15R2.562 Brc1cnccc1NCc2cscn2 27a_100015185402_100000726257 [0,1,0,0,1,0|2,0,0]=4 6214 B15R2.562 Brc1cnccc1NCc2ncc[nH]2 27a_100000754540_100000726257 [0,1,0,0,1,0|2,0,0]=4 6215 B15R2.562 Brc1cnccc1NCc2ncco2 27a_100016994969_100000726257 [0,1,0,0,1,0|2,0,0]=4 6216 B15R2.562 Brc1cnccc1NCc2nccs2 27a_100000740555_100000726257 [0,1,0,0,1,0|2,0,0]=4 6217 B15R2.562 Brc1ncccc1COc2ccsc2 34a_100000106738_100010140945 [0,1,0,0,1,0|2,0,0]=4 6218 B15R2.562 Brc1ncccc1COc2ccsc2 7a_100000106738_100010140945 [0,1,0,0,1,0|2,0,0]=4 6219 B15R2.562 Brc1ncccc1CSc2ccco2 62a_100009814098_100010140945 [0,1,0,0,1,0|2,0,0]=4 6220 B15R2.562 Brc1ncccc1CSc2ccco2 62a_100010140945_100009814098 [0,1,0,0,1,0|2,0,0]=4 6221 B15R2.562 Brc1ncccc1CSc2cccs2 62a_100010140945_100011215356 [0,1,0,0,1,0|2,0,0]=4 6222 B15R2.562 Brc1ncccc1CSc2cccs2 62a_100011215356_100010140945 [0,1,0,0,1,0|2,0,0]=4 6223 B15R2.562 Brc1ncccc1CSc2ccoc2 62a_100010140945_100011215275 [0,1,0,0,1,0|2,0,0]=4 6224 B15R2.562 Brc1ncccc1CSc2ccoc2 62a_100011215275_100010140945 [0,1,0,0,1,0|2,0,0]=4 6225 B15R2.562 Brc1ncccc1CSc2ccsc2 62a_100000738268_100010140945 [0,1,0,0,1,0|2,0,0]=4 6226 B15R2.562 Brc1ncccc1CSc2ccsc2 62a_100010140945_100000738268 [0,1,0,0,1,0|2,0,0]=4 6227 B15R2.562 Cc1ccccc1NCc2c[nH]cn2 34a_100015192222_100000707719 [0,1,0,0,1,0|1,0,0]=3 6228 B15R2.562 Cc1ccccc1NCc2cc[nH]n2 207a_100015192222_100000738523 [0,1,0,0,1,0|1,0,0]=3 6229 B15R2.562 Cc1ccccc1NCc2ccco2 207a_100015192222_100000186105 [0,1,0,0,1,0|1,0,0]=3 6230 B15R2.562 Cc1ccccc1NCc2ccco2 270302a_100015192222_100000186105 [0,1,0,0,1,0|1,0,0]=3 6231 B15R2.562 Cc1ccccc1NCc2cccs2 207a_100015192222_100000209959 [0,1,0,0,1,0|1,0,0]=3 6232 B15R2.562 Cc1ccccc1NCc2cccs2 270302a_100015192222_100000209959 [0,1,0,0,1,0|1,0,0]=3 6233 B15R2.562 Cc1ccccc1NCc2ccn[nH]2 34a_100015192222_100000728653 [0,1,0,0,1,0|1,0,0]=3 6234 B15R2.562 Cc1ccccc1NCc2ccoc2 207a_100015192222_100011215517 [0,1,0,0,1,0|1,0,0]=3 6235 B15R2.562 Cc1ccccc1NCc2ccon2 34a_100015192222_100000234950 [0,1,0,0,1,0|1,0,0]=3 6236 B15R2.562 Cc1ccccc1NCc2ccsc2 207a_100015192222_100000188534 [0,1,0,0,1,0|1,0,0]=3 6237 B15R2.562 Cc1ccccc1NCc2ccsc2 270302a_100015192222_100000188534 [0,1,0,0,1,0|1,0,0]=3 6238 B15R2.562 Cc1ccccc1NCc2ccsc2 34a_100015192222_100011261437 [0,1,0,0,1,0|1,0,0]=3 6239 B15R2.562 Cc1ccccc1NCc2cn[nH]c2 207a_100015192222_100016992096 [0,1,0,0,1,0|1,0,0]=3 6240 B15R2.562 Cc1ccccc1NCc2cn[nH]c2 270302a_100015192222_100016992096 [0,1,0,0,1,0|1,0,0]=3 6241 B15R2.562 Cc1ccccc1NCc2cnc[nH]2 207a_100015192222_100000742939 [0,1,0,0,1,0|1,0,0]=3 6242 B15R2.562 Cc1ccccc1NCc2cncs2 207a_100015192222_100000749870 [0,1,0,0,1,0|1,0,0]=3 6243 B15R2.562 Cc1ccccc1NCc2cncs2 270302a_100015192222_100000749870 [0,1,0,0,1,0|1,0,0]=3 6244 B15R2.562 Cc1ccccc1NCc2cncs2 34a_100015192222_100015185245 [0,1,0,0,1,0|1,0,0]=3 6245 B15R2.562 Cc1ccccc1NCc2cscn2 207a_100015192222_100000743575 [0,1,0,0,1,0|1,0,0]=3 6246 B15R2.562 Cc1ccccc1NCc2cscn2 270302a_100015192222_100000743575 [0,1,0,0,1,0|1,0,0]=3 6247 B15R2.562 Cc1ccccc1NCc2cscn2 34a_100015192222_100000205941 [0,1,0,0,1,0|1,0,0]=3 6248 B15R2.562 Cc1ccccc1NCc2ncc[nH]2 207a_100015192222_100000743867 [0,1,0,0,1,0|1,0,0]=3 6249 B15R2.562 Cc1ccccc1NCc2ncc[nH]2 34a_100015192222_100016991755 [0,1,0,0,1,0|1,0,0]=3 6250 B15R2.562 Cc1ccccc1NCc2ncco2 34a_100015192222_103436540062 [0,1,0,0,1,0|1,0,0]=3 6251 B15R2.562 Cc1ccccc1NCc2nccs2 207a_100015192222_100000750902 [0,1,0,0,1,0|1,0,0]=3 6252 B15R2.562 Cc1ccccc1NCc2nccs2 270302a_100015192222_100000750902 [0,1,0,0,1,0|1,0,0]=3 6253 B15R2.562 Cc1ccccc1NCc2nccs2 34a_100015192222_100015184050 [0,1,0,0,1,0|1,0,0]=3 6254 B15R2.562 Cc1ccccc1NCc2ncon2 34a_100015192222_100000233494 [0,1,0,0,1,0|2,0,0]=4 6255 B15R2.562 Cc1ccccc1NCn2cncn2 34a_100015192222_200020645497 [0,1,0,0,1,0|2,0,0]=4 6256 B15R2.562 Cc1ccccc1OCc2c[nH]cn2 34a_100000210338_100000707719 [0,1,0,0,1,0|2,0,0]=4 6257 B15R2.562 Cc1ccccc1OCc2ccn[nH]2 34a_100000210338_100000728653 [0,1,0,0,1,0|2,0,0]=4 6258 B15R2.562 Cc1ccccc1OCc2ccn[nH]2 7a_100000210338_100000728653 [0,1,0,0,1,0|2,0,0]=4 6259 B15R2.562 Cc1ccccc1OCc2ccon2 34a_100000210338_100000234950 [0,1,0,0,1,0|2,0,0]=4 6260 B15R2.562 Cc1ccccc1OCc2ccon2 7a_100000210338_100000234950 [0,1,0,0,1,0|2,0,0]=4 6261 B15R2.562 Cc1ccccc1OCc2ccsc2 34a_100000210338_100011261437 [0,1,0,0,1,0|2,0,0]=4 6262 B15R2.562 Cc1ccccc1OCc2ccsc2 7a_100000210338_100011261437 [0,1,0,0,1,0|2,0,0]=4 6263 B15R2.562 Cc1ccccc1OCc2cncs2 34a_100000210338_100015185245 [0,1,0,0,1,0|2,0,0]=4 6264 B15R2.562 Cc1ccccc1OCc2cncs2 7a_100000210338_100015185245 [0,1,0,0,1,0|2,0,0]=4 6265 B15R2.562 Cc1ccccc1OCc2cscn2 34a_100000210338_100000205941 [0,1,0,0,1,0|2,0,0]=4 6266 B15R2.562 Cc1ccccc1OCc2cscn2 7a_100000210338_100000205941 [0,1,0,0,1,0|2,0,0]=4 6267 B15R2.562 Cc1ccccc1OCc2ncc[nH]2 34a_100000210338_100016991755 [0,1,0,0,1,0|2,0,0]=4 6268 B15R2.562 Cc1ccccc1OCc2ncc[nH]2 7a_100000210338_100000753453 [0,1,0,0,1,0|2,0,0]=4 6269 B15R2.562 Cc1ccccc1OCc2ncco2 34a_100000210338_103436540062 [0,1,0,0,1,0|2,0,0]=4 6270 B15R2.562 Cc1ccccc1OCc2ncco2 7a_100000210338_103436540062 [0,1,0,0,1,0|2,0,0]=4 6271 B15R2.562 Cc1ccccc1OCc2nccs2 34a_100000210338_100015184050 [0,1,0,0,1,0|2,0,0]=4 6272 B15R2.562 Cc1ccccc1OCc2nccs2 7a_100000210338_100015184050 [0,1,0,0,1,0|2,0,0]=4 6273 B15R2.562 Cc1ccccc1SCc2c[nH]cn2 62a_100000210755_100000707719 [0,1,0,0,1,0|2,0,0]=4 6274 B15R2.562 Cc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000210755 [0,1,0,0,1,0|2,0,0]=4 6275 B15R2.562 Cc1ccccc1SCc2ccn[nH]2 62a_100000210755_100000728653 [0,1,0,0,1,0|2,0,0]=4 6276 B15R2.562 Cc1ccccc1SCc2ccn[nH]2 62a_100000728653_100000210755 [0,1,0,0,1,0|2,0,0]=4 6277 B15R2.562 Cc1ccccc1SCc2ccon2 62a_100000210755_100000234950 [0,1,0,0,1,0|2,0,0]=4 6278 B15R2.562 Cc1ccccc1SCc2ccon2 62a_100000234950_100000210755 [0,1,0,0,1,0|2,0,0]=4 6279 B15R2.562 Cc1ccccc1SCc2ccsc2 62a_100000210755_100011233845 [0,1,0,0,1,0|2,0,0]=4 6280 B15R2.562 Cc1ccccc1SCc2ccsc2 62a_100011261437_100000210755 [0,1,0,0,1,0|2,0,0]=4 6281 B15R2.562 Cc1ccccc1SCc2cncs2 62a_100000210755_100015185245 [0,1,0,0,1,0|2,0,0]=4 6282 B15R2.562 Cc1ccccc1SCc2cncs2 62a_100015185245_100000210755 [0,1,0,0,1,0|2,0,0]=4 6283 B15R2.562 Cc1ccccc1SCc2cscn2 62a_100000205941_100000210755 [0,1,0,0,1,0|2,0,0]=4 6284 B15R2.562 Cc1ccccc1SCc2cscn2 62a_100000210755_100000205941 [0,1,0,0,1,0|2,0,0]=4 6285 B15R2.562 Cc1ccccc1SCc2ncc[nH]2 62a_100000210755_100016991755 [0,1,0,0,1,0|2,0,0]=4 6286 B15R2.562 Cc1ccccc1SCc2ncc[nH]2 62a_100016991755_100000210755 [0,1,0,0,1,0|2,0,0]=4 6287 B15R2.562 Cc1ccccc1SCc2ncco2 62a_100000210755_103436540062 [0,1,0,0,1,0|2,0,0]=4 6288 B15R2.562 Cc1ccccc1SCc2ncco2 62a_103436540062_100000210755 [0,1,0,0,1,0|2,0,0]=4 6289 B15R2.562 Cc1ccccc1SCc2nccs2 62a_100000210755_100015184050 [0,1,0,0,1,0|2,0,0]=4 6290 B15R2.562 Cc1ccccc1SCc2nccs2 62a_100015184050_100000210755 [0,1,0,0,1,0|2,0,0]=4 6291 B15R2.562 Cc1ccncc1COc2ccsc2 34a_100000106738_100000690890 [0,1,0,0,1,0|2,0,0]=4 6292 B15R2.562 Cc1ccncc1COc2ccsc2 7a_100000106738_100000690890 [0,1,0,0,1,0|2,0,0]=4 6293 B15R2.562 Cc1ccncc1CSc2ccco2 62a_100000690890_100009814098 [0,1,0,0,1,0|2,0,0]=4 6294 B15R2.562 Cc1ccncc1CSc2ccco2 62a_100009814098_100000690890 [0,1,0,0,1,0|2,0,0]=4 6295 B15R2.562 Cc1ccncc1CSc2cccs2 62a_100000690890_100011215356 [0,1,0,0,1,0|2,0,0]=4 6296 B15R2.562 Cc1ccncc1CSc2cccs2 62a_100011215356_100000690890 [0,1,0,0,1,0|2,0,0]=4 6297 B15R2.562 Cc1ccncc1CSc2ccoc2 62a_100000690890_100011215275 [0,1,0,0,1,0|2,0,0]=4 6298 B15R2.562 Cc1ccncc1CSc2ccoc2 62a_100011215275_100000690890 [0,1,0,0,1,0|2,0,0]=4 6299 B15R2.562 Cc1ccncc1CSc2ccsc2 62a_100000690890_100000738268 [0,1,0,0,1,0|2,0,0]=4 6300 B15R2.562 Cc1ccncc1CSc2ccsc2 62a_100000738268_100000690890 [0,1,0,0,1,0|2,0,0]=4 6301 B15R2.562 Cc1cnccc1NCc2c[nH]cn2 27a_100000758547_100000765111 [0,1,0,0,1,0|2,0,0]=4 6302 B15R2.562 Cc1cnccc1NCc2cc[nH]n2 27a_100000739516_100000765111 [0,1,0,0,1,0|2,0,0]=4 6303 B15R2.562 Cc1cnccc1NCc2ccco2 27a_100000185738_100000765111 [0,1,0,0,1,0|2,0,0]=4 6304 B15R2.562 Cc1cnccc1NCc2cccs2 27a_100000211653_100000765111 [0,1,0,0,1,0|2,0,0]=4 6305 B15R2.562 Cc1cnccc1NCc2ccoc2 27a_100015206860_100000765111 [0,1,0,0,1,0|2,0,0]=4 6306 B15R2.562 Cc1cnccc1NCc2ccon2 27a_100000688301_100000765111 [0,1,0,0,1,0|2,0,0]=4 6307 B15R2.562 Cc1cnccc1NCc2ccsc2 27a_100000186416_100000765111 [0,1,0,0,1,0|2,0,0]=4 6308 B15R2.562 Cc1cnccc1NCc2cn[nH]c2 27a_100000737208_100000765111 [0,1,0,0,1,0|2,0,0]=4 6309 B15R2.562 Cc1cnccc1NCc2cnco2 27a_100020634212_100000765111 [0,1,0,0,1,0|2,0,0]=4 6310 B15R2.562 Cc1cnccc1NCc2cncs2 27a_100016987365_100000765111 [0,1,0,0,1,0|2,0,0]=4 6311 B15R2.562 Cc1cnccc1NCc2cocn2 27a_100015188801_100000765111 [0,1,0,0,1,0|2,0,0]=4 6312 B15R2.562 Cc1cnccc1NCc2cscn2 27a_100015185402_100000765111 [0,1,0,0,1,0|2,0,0]=4 6313 B15R2.562 Cc1cnccc1NCc2ncc[nH]2 27a_100000754540_100000765111 [0,1,0,0,1,0|2,0,0]=4 6314 B15R2.562 Cc1cnccc1NCc2ncco2 27a_100016994969_100000765111 [0,1,0,0,1,0|2,0,0]=4 6315 B15R2.562 Cc1cnccc1NCc2nccs2 27a_100000740555_100000765111 [0,1,0,0,1,0|2,0,0]=4 6316 B15R2.562 Cc1ncccc1COc2ccsc2 34a_100000106738_100000732876 [0,1,0,0,1,0|2,0,0]=4 6317 B15R2.562 Cc1ncccc1COc2ccsc2 7a_100000106738_100000732876 [0,1,0,0,1,0|2,0,0]=4 6318 B15R2.562 Cc1ncccc1CSc2ccco2 62a_100000732876_100009814098 [0,1,0,0,1,0|2,0,0]=4 6319 B15R2.562 Cc1ncccc1CSc2ccco2 62a_100009814098_100000732876 [0,1,0,0,1,0|2,0,0]=4 6320 B15R2.562 Cc1ncccc1CSc2cccs2 62a_100000732876_100011215356 [0,1,0,0,1,0|2,0,0]=4 6321 B15R2.562 Cc1ncccc1CSc2cccs2 62a_100011215356_100000732876 [0,1,0,0,1,0|2,0,0]=4 6322 B15R2.562 Cc1ncccc1CSc2ccoc2 62a_100000732876_100011215275 [0,1,0,0,1,0|2,0,0]=4 6323 B15R2.562 Cc1ncccc1CSc2ccoc2 62a_100011215275_100000732876 [0,1,0,0,1,0|2,0,0]=4 6324 B15R2.562 Cc1ncccc1CSc2ccsc2 62a_100000732876_100000738268 [0,1,0,0,1,0|2,0,0]=4 6325 B15R2.562 Cc1ncccc1CSc2ccsc2 62a_100000738268_100000732876 [0,1,0,0,1,0|2,0,0]=4 6326 B15R2.562 Clc1ccccc1NCc2c[nH]cn2 34a_100000185783_100000707719 [0,1,0,0,1,0|1,0,0]=3 6327 B15R2.562 Clc1ccccc1NCc2cc[nH]n2 207a_100000185783_100000738523 [0,1,0,0,1,0|1,0,0]=3 6328 B15R2.562 Clc1ccccc1NCc2ccco2 207a_100000185783_100000186105 [0,1,0,0,1,0|1,0,0]=3 6329 B15R2.562 Clc1ccccc1NCc2cccs2 207a_100000185783_100000209959 [0,1,0,0,1,0|1,0,0]=3 6330 B15R2.562 Clc1ccccc1NCc2ccn[nH]2 34a_100000185783_100000728653 [0,1,0,0,1,0|1,0,0]=3 6331 B15R2.562 Clc1ccccc1NCc2ccoc2 207a_100000185783_100011215517 [0,1,0,0,1,0|1,0,0]=3 6332 B15R2.562 Clc1ccccc1NCc2ccon2 34a_100000185783_100000234950 [0,1,0,0,1,0|1,0,0]=3 6333 B15R2.562 Clc1ccccc1NCc2ccsc2 207a_100000185783_100000188534 [0,1,0,0,1,0|1,0,0]=3 6334 B15R2.562 Clc1ccccc1NCc2ccsc2 34a_100000185783_100011261437 [0,1,0,0,1,0|1,0,0]=3 6335 B15R2.562 Clc1ccccc1NCc2cn[nH]c2 207a_100000185783_100016992096 [0,1,0,0,1,0|1,0,0]=3 6336 B15R2.562 Clc1ccccc1NCc2cnc[nH]2 207a_100000185783_100000742939 [0,1,0,0,1,0|1,0,0]=3 6337 B15R2.562 Clc1ccccc1NCc2cncs2 207a_100000185783_100000749870 [0,1,0,0,1,0|1,0,0]=3 6338 B15R2.562 Clc1ccccc1NCc2cncs2 34a_100000185783_100015185245 [0,1,0,0,1,0|1,0,0]=3 6339 B15R2.562 Clc1ccccc1NCc2cscn2 207a_100000185783_100000743575 [0,1,0,0,1,0|1,0,0]=3 6340 B15R2.562 Clc1ccccc1NCc2cscn2 34a_100000185783_100000205941 [0,1,0,0,1,0|1,0,0]=3 6341 B15R2.562 Clc1ccccc1NCc2ncc[nH]2 207a_100000185783_100000743867 [0,1,0,0,1,0|1,0,0]=3 6342 B15R2.562 Clc1ccccc1NCc2ncc[nH]2 34a_100000185783_100016991755 [0,1,0,0,1,0|1,0,0]=3 6343 B15R2.562 Clc1ccccc1NCc2ncco2 34a_100000185783_103436540062 [0,1,0,0,1,0|1,0,0]=3 6344 B15R2.562 Clc1ccccc1NCc2nccs2 207a_100000185783_100000750902 [0,1,0,0,1,0|1,0,0]=3 6345 B15R2.562 Clc1ccccc1NCc2nccs2 34a_100000185783_100015184050 [0,1,0,0,1,0|1,0,0]=3 6346 B15R2.562 Clc1ccccc1NCc2ncon2 34a_100000185783_100000233494 [0,1,0,0,1,0|2,0,0]=4 6347 B15R2.562 Clc1ccccc1NCn2cncn2 34a_100000185783_200020645497 [0,1,0,0,1,0|2,0,0]=4 6348 B15R2.562 Clc1ccccc1OCc2c[nH]cn2 34a_100000210172_100000707719 [0,1,0,0,1,0|2,0,0]=4 6349 B15R2.562 Clc1ccccc1OCc2ccn[nH]2 34a_100000210172_100000728653 [0,1,0,0,1,0|2,0,0]=4 6350 B15R2.562 Clc1ccccc1OCc2ccn[nH]2 7a_100000210172_100000728653 [0,1,0,0,1,0|2,0,0]=4 6351 B15R2.562 Clc1ccccc1OCc2ccon2 34a_100000210172_100000234950 [0,1,0,0,1,0|2,0,0]=4 6352 B15R2.562 Clc1ccccc1OCc2ccon2 7a_100000210172_100000234950 [0,1,0,0,1,0|2,0,0]=4 6353 B15R2.562 Clc1ccccc1OCc2ccsc2 34a_100000210172_100011261437 [0,1,0,0,1,0|2,0,0]=4 6354 B15R2.562 Clc1ccccc1OCc2ccsc2 7a_100000210172_100011261437 [0,1,0,0,1,0|2,0,0]=4 6355 B15R2.562 Clc1ccccc1OCc2cncs2 34a_100000210172_100015185245 [0,1,0,0,1,0|2,0,0]=4 6356 B15R2.562 Clc1ccccc1OCc2cncs2 7a_100000210172_100015185245 [0,1,0,0,1,0|2,0,0]=4 6357 B15R2.562 Clc1ccccc1OCc2cscn2 34a_100000210172_100000205941 [0,1,0,0,1,0|2,0,0]=4 6358 B15R2.562 Clc1ccccc1OCc2cscn2 7a_100000210172_100000205941 [0,1,0,0,1,0|2,0,0]=4 6359 B15R2.562 Clc1ccccc1OCc2ncc[nH]2 34a_100000210172_100016991755 [0,1,0,0,1,0|2,0,0]=4 6360 B15R2.562 Clc1ccccc1OCc2ncc[nH]2 7a_100000210172_100000753453 [0,1,0,0,1,0|2,0,0]=4 6361 B15R2.562 Clc1ccccc1OCc2ncco2 34a_100000210172_103436540062 [0,1,0,0,1,0|2,0,0]=4 6362 B15R2.562 Clc1ccccc1OCc2ncco2 7a_100000210172_103436540062 [0,1,0,0,1,0|2,0,0]=4 6363 B15R2.562 Clc1ccccc1OCc2nccs2 34a_100000210172_100015184050 [0,1,0,0,1,0|2,0,0]=4 6364 B15R2.562 Clc1ccccc1OCc2nccs2 7a_100000210172_100015184050 [0,1,0,0,1,0|2,0,0]=4 6365 B15R2.562 Clc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000764095 [0,1,0,0,1,0|2,0,0]=4 6366 B15R2.562 Clc1ccccc1SCc2c[nH]cn2 62a_100000764095_100000707719 [0,1,0,0,1,0|2,0,0]=4 6367 B15R2.562 Clc1ccccc1SCc2ccn[nH]2 62a_100000728653_100000764095 [0,1,0,0,1,0|2,0,0]=4 6368 B15R2.562 Clc1ccccc1SCc2ccn[nH]2 62a_100000764095_100000728653 [0,1,0,0,1,0|2,0,0]=4 6369 B15R2.562 Clc1ccccc1SCc2ccon2 62a_100000234950_100000764095 [0,1,0,0,1,0|2,0,0]=4 6370 B15R2.562 Clc1ccccc1SCc2ccon2 62a_100000764095_100000234950 [0,1,0,0,1,0|2,0,0]=4 6371 B15R2.562 Clc1ccccc1SCc2ccsc2 62a_100000764095_100011233845 [0,1,0,0,1,0|2,0,0]=4 6372 B15R2.562 Clc1ccccc1SCc2ccsc2 62a_100011261437_100000764095 [0,1,0,0,1,0|2,0,0]=4 6373 B15R2.562 Clc1ccccc1SCc2cncs2 62a_100000764095_100015185245 [0,1,0,0,1,0|2,0,0]=4 6374 B15R2.562 Clc1ccccc1SCc2cncs2 62a_100015185245_100000764095 [0,1,0,0,1,0|2,0,0]=4 6375 B15R2.562 Clc1ccccc1SCc2cscn2 62a_100000205941_100000764095 [0,1,0,0,1,0|2,0,0]=4 6376 B15R2.562 Clc1ccccc1SCc2cscn2 62a_100000764095_100000205941 [0,1,0,0,1,0|2,0,0]=4 6377 B15R2.562 Clc1ccccc1SCc2ncc[nH]2 62a_100000764095_100016991755 [0,1,0,0,1,0|2,0,0]=4 6378 B15R2.562 Clc1ccccc1SCc2ncc[nH]2 62a_100016991755_100000764095 [0,1,0,0,1,0|2,0,0]=4 6379 B15R2.562 Clc1ccccc1SCc2ncco2 62a_100000764095_103436540062 [0,1,0,0,1,0|2,0,0]=4 6380 B15R2.562 Clc1ccccc1SCc2ncco2 62a_103436540062_100000764095 [0,1,0,0,1,0|2,0,0]=4 6381 B15R2.562 Clc1ccccc1SCc2nccs2 62a_100000764095_100015184050 [0,1,0,0,1,0|2,0,0]=4 6382 B15R2.562 Clc1ccccc1SCc2nccs2 62a_100015184050_100000764095 [0,1,0,0,1,0|2,0,0]=4 6383 B15R2.562 Clc1ncccc1COc2ccsc2 34a_100000106738_100000045678 [0,1,0,0,1,0|2,0,0]=4 6384 B15R2.562 Clc1ncccc1COc2ccsc2 7a_100000106738_100000045678 [0,1,0,0,1,0|2,0,0]=4 6385 B15R2.562 Clc1ncccc1CSc2ccco2 62a_100000045678_100009814098 [0,1,0,0,1,0|2,0,0]=4 6386 B15R2.562 Clc1ncccc1CSc2ccco2 62a_100009814098_100000045678 [0,1,0,0,1,0|2,0,0]=4 6387 B15R2.562 Clc1ncccc1CSc2cccs2 62a_100000045678_100011215356 [0,1,0,0,1,0|2,0,0]=4 6388 B15R2.562 Clc1ncccc1CSc2cccs2 62a_100011215356_100000045678 [0,1,0,0,1,0|2,0,0]=4 6389 B15R2.562 Clc1ncccc1CSc2ccoc2 62a_100000045678_100011215275 [0,1,0,0,1,0|2,0,0]=4 6390 B15R2.562 Clc1ncccc1CSc2ccoc2 62a_100011215275_100000045678 [0,1,0,0,1,0|2,0,0]=4 6391 B15R2.562 Clc1ncccc1CSc2ccsc2 62a_100000045678_100000738268 [0,1,0,0,1,0|2,0,0]=4 6392 B15R2.562 Clc1ncccc1CSc2ccsc2 62a_100000738268_100000045678 [0,1,0,0,1,0|2,0,0]=4 6393 B15R2.562 Fc1ccccc1NCc2c[nH]cn2 34a_100000210422_100000707719 [0,1,0,0,1,0|1,0,0]=3 6394 B15R2.562 Fc1ccccc1NCc2cc[nH]n2 207a_100000210422_100000738523 [0,1,0,0,1,0|1,0,0]=3 6395 B15R2.562 Fc1ccccc1NCc2ccco2 207a_100000210422_100000186105 [0,1,0,0,1,0|1,0,0]=3 6396 B15R2.562 Fc1ccccc1NCc2cccs2 207a_100000210422_100000209959 [0,1,0,0,1,0|1,0,0]=3 6397 B15R2.562 Fc1ccccc1NCc2ccn[nH]2 34a_100000210422_100000728653 [0,1,0,0,1,0|1,0,0]=3 6398 B15R2.562 Fc1ccccc1NCc2ccoc2 207a_100000210422_100011215517 [0,1,0,0,1,0|1,0,0]=3 6399 B15R2.562 Fc1ccccc1NCc2ccon2 34a_100000210422_100000234950 [0,1,0,0,1,0|1,0,0]=3 6400 B15R2.562 Fc1ccccc1NCc2ccsc2 207a_100000210422_100000188534 [0,1,0,0,1,0|1,0,0]=3 6401 B15R2.562 Fc1ccccc1NCc2ccsc2 34a_100000210422_100011261437 [0,1,0,0,1,0|1,0,0]=3 6402 B15R2.562 Fc1ccccc1NCc2cn[nH]c2 207a_100000210422_100016992096 [0,1,0,0,1,0|1,0,0]=3 6403 B15R2.562 Fc1ccccc1NCc2cnc[nH]2 207a_100000210422_100000742939 [0,1,0,0,1,0|1,0,0]=3 6404 B15R2.562 Fc1ccccc1NCc2cncs2 207a_100000210422_100000749870 [0,1,0,0,1,0|1,0,0]=3 6405 B15R2.562 Fc1ccccc1NCc2cncs2 34a_100000210422_100015185245 [0,1,0,0,1,0|1,0,0]=3 6406 B15R2.562 Fc1ccccc1NCc2cscn2 207a_100000210422_100000743575 [0,1,0,0,1,0|1,0,0]=3 6407 B15R2.562 Fc1ccccc1NCc2cscn2 34a_100000210422_100000205941 [0,1,0,0,1,0|1,0,0]=3 6408 B15R2.562 Fc1ccccc1NCc2ncc[nH]2 207a_100000210422_100000743867 [0,1,0,0,1,0|1,0,0]=3 6409 B15R2.562 Fc1ccccc1NCc2ncc[nH]2 34a_100000210422_100016991755 [0,1,0,0,1,0|1,0,0]=3 6410 B15R2.562 Fc1ccccc1NCc2ncco2 34a_100000210422_103436540062 [0,1,0,0,1,0|1,0,0]=3 6411 B15R2.562 Fc1ccccc1NCc2nccs2 207a_100000210422_100000750902 [0,1,0,0,1,0|1,0,0]=3 6412 B15R2.562 Fc1ccccc1NCc2nccs2 34a_100000210422_100015184050 [0,1,0,0,1,0|1,0,0]=3 6413 B15R2.562 Fc1ccccc1NCc2ncon2 34a_100000210422_100000233494 [0,1,0,0,1,0|2,0,0]=4 6414 B15R2.562 Fc1ccccc1NCn2cncn2 34a_100000210422_200020645497 [0,1,0,0,1,0|2,0,0]=4 6415 B15R2.562 Fc1ccccc1OCc2c[nH]cn2 34a_100000210171_100000707719 [0,1,0,0,1,0|2,0,0]=4 6416 B15R2.562 Fc1ccccc1OCc2ccn[nH]2 34a_100000210171_100000728653 [0,1,0,0,1,0|2,0,0]=4 6417 B15R2.562 Fc1ccccc1OCc2ccn[nH]2 7a_100000210171_100000728653 [0,1,0,0,1,0|2,0,0]=4 6418 B15R2.562 Fc1ccccc1OCc2ccon2 34a_100000210171_100000234950 [0,1,0,0,1,0|2,0,0]=4 6419 B15R2.562 Fc1ccccc1OCc2ccon2 7a_100000210171_100000234950 [0,1,0,0,1,0|2,0,0]=4 6420 B15R2.562 Fc1ccccc1OCc2ccsc2 34a_100000210171_100011261437 [0,1,0,0,1,0|2,0,0]=4 6421 B15R2.562 Fc1ccccc1OCc2ccsc2 7a_100000210171_100011261437 [0,1,0,0,1,0|2,0,0]=4 6422 B15R2.562 Fc1ccccc1OCc2cncs2 34a_100000210171_100015185245 [0,1,0,0,1,0|2,0,0]=4 6423 B15R2.562 Fc1ccccc1OCc2cncs2 7a_100000210171_100015185245 [0,1,0,0,1,0|2,0,0]=4 6424 B15R2.562 Fc1ccccc1OCc2cscn2 34a_100000210171_100000205941 [0,1,0,0,1,0|2,0,0]=4 6425 B15R2.562 Fc1ccccc1OCc2cscn2 7a_100000210171_100000205941 [0,1,0,0,1,0|2,0,0]=4 6426 B15R2.562 Fc1ccccc1OCc2ncc[nH]2 34a_100000210171_100016991755 [0,1,0,0,1,0|2,0,0]=4 6427 B15R2.562 Fc1ccccc1OCc2ncc[nH]2 7a_100000210171_100000753453 [0,1,0,0,1,0|2,0,0]=4 6428 B15R2.562 Fc1ccccc1OCc2ncco2 34a_100000210171_103436540062 [0,1,0,0,1,0|2,0,0]=4 6429 B15R2.562 Fc1ccccc1OCc2ncco2 7a_100000210171_103436540062 [0,1,0,0,1,0|2,0,0]=4 6430 B15R2.562 Fc1ccccc1OCc2nccs2 34a_100000210171_100015184050 [0,1,0,0,1,0|2,0,0]=4 6431 B15R2.562 Fc1ccccc1OCc2nccs2 7a_100000210171_100015184050 [0,1,0,0,1,0|2,0,0]=4 6432 B15R2.562 Fc1ccccc1SCc2c[nH]cn2 62a_100000707719_100011215700 [0,1,0,0,1,0|2,0,0]=4 6433 B15R2.562 Fc1ccccc1SCc2c[nH]cn2 62a_100011215700_100000707719 [0,1,0,0,1,0|2,0,0]=4 6434 B15R2.562 Fc1ccccc1SCc2ccn[nH]2 62a_100000728653_100011215700 [0,1,0,0,1,0|2,0,0]=4 6435 B15R2.562 Fc1ccccc1SCc2ccn[nH]2 62a_100011215700_100000728653 [0,1,0,0,1,0|2,0,0]=4 6436 B15R2.562 Fc1ccccc1SCc2ccon2 62a_100000234950_100011215700 [0,1,0,0,1,0|2,0,0]=4 6437 B15R2.562 Fc1ccccc1SCc2ccon2 62a_100011215700_100000234950 [0,1,0,0,1,0|2,0,0]=4 6438 B15R2.562 Fc1ccccc1SCc2ccsc2 62a_100011215700_100011233845 [0,1,0,0,1,0|2,0,0]=4 6439 B15R2.562 Fc1ccccc1SCc2ccsc2 62a_100011261437_100011215700 [0,1,0,0,1,0|2,0,0]=4 6440 B15R2.562 Fc1ccccc1SCc2cncs2 62a_100011215700_100015185245 [0,1,0,0,1,0|2,0,0]=4 6441 B15R2.562 Fc1ccccc1SCc2cncs2 62a_100015185245_100011215700 [0,1,0,0,1,0|2,0,0]=4 6442 B15R2.562 Fc1ccccc1SCc2cscn2 62a_100000205941_100011215700 [0,1,0,0,1,0|2,0,0]=4 6443 B15R2.562 Fc1ccccc1SCc2cscn2 62a_100011215700_100000205941 [0,1,0,0,1,0|2,0,0]=4 6444 B15R2.562 Fc1ccccc1SCc2ncc[nH]2 62a_100011215700_100016991755 [0,1,0,0,1,0|2,0,0]=4 6445 B15R2.562 Fc1ccccc1SCc2ncc[nH]2 62a_100016991755_100011215700 [0,1,0,0,1,0|2,0,0]=4 6446 B15R2.562 Fc1ccccc1SCc2ncco2 62a_100011215700_103436540062 [0,1,0,0,1,0|2,0,0]=4 6447 B15R2.562 Fc1ccccc1SCc2ncco2 62a_103436540062_100011215700 [0,1,0,0,1,0|2,0,0]=4 6448 B15R2.562 Fc1ccccc1SCc2nccs2 62a_100011215700_100015184050 [0,1,0,0,1,0|2,0,0]=4 6449 B15R2.562 Fc1ccccc1SCc2nccs2 62a_100015184050_100011215700 [0,1,0,0,1,0|2,0,0]=4 6450 B15R2.562 Fc1cnccc1NCc2c[nH]cn2 27a_100000758547_100000035921 [0,1,0,0,1,0|2,0,0]=4 6451 B15R2.562 Fc1cnccc1NCc2cc[nH]n2 27a_100000739516_100000035921 [0,1,0,0,1,0|2,0,0]=4 6452 B15R2.562 Fc1cnccc1NCc2ccco2 27a_100000185738_100000035921 [0,1,0,0,1,0|2,0,0]=4 6453 B15R2.562 Fc1cnccc1NCc2cccs2 27a_100000211653_100000035921 [0,1,0,0,1,0|2,0,0]=4 6454 B15R2.562 Fc1cnccc1NCc2ccoc2 27a_100015206860_100000035921 [0,1,0,0,1,0|2,0,0]=4 6455 B15R2.562 Fc1cnccc1NCc2ccon2 27a_100000688301_100000035921 [0,1,0,0,1,0|2,0,0]=4 6456 B15R2.562 Fc1cnccc1NCc2ccsc2 27a_100000186416_100000035921 [0,1,0,0,1,0|2,0,0]=4 6457 B15R2.562 Fc1cnccc1NCc2cn[nH]c2 27a_100000737208_100000035921 [0,1,0,0,1,0|2,0,0]=4 6458 B15R2.562 Fc1cnccc1NCc2cnco2 27a_100020634212_100000035921 [0,1,0,0,1,0|2,0,0]=4 6459 B15R2.562 Fc1cnccc1NCc2cncs2 27a_100016987365_100000035921 [0,1,0,0,1,0|2,0,0]=4 6460 B15R2.562 Fc1cnccc1NCc2cocn2 27a_100015188801_100000035921 [0,1,0,0,1,0|2,0,0]=4 6461 B15R2.562 Fc1cnccc1NCc2cscn2 27a_100015185402_100000035921 [0,1,0,0,1,0|2,0,0]=4 6462 B15R2.562 Fc1cnccc1NCc2ncc[nH]2 27a_100000754540_100000035921 [0,1,0,0,1,0|2,0,0]=4 6463 B15R2.562 Fc1cnccc1NCc2ncco2 27a_100016994969_100000035921 [0,1,0,0,1,0|2,0,0]=4 6464 B15R2.562 Fc1cnccc1NCc2nccs2 27a_100000740555_100000035921 [0,1,0,0,1,0|2,0,0]=4 6465 B15R2.562 Fc1ncccc1COc2ccsc2 34a_100000106738_100000099810 [0,1,0,0,1,0|2,0,0]=4 6466 B15R2.562 Fc1ncccc1COc2ccsc2 7a_100000106738_100000099810 [0,1,0,0,1,0|2,0,0]=4 6467 B15R2.562 Fc1ncccc1CSc2ccco2 62a_100000099810_100009814098 [0,1,0,0,1,0|2,0,0]=4 6468 B15R2.562 Fc1ncccc1CSc2ccco2 62a_100009814098_100000099810 [0,1,0,0,1,0|2,0,0]=4 6469 B15R2.562 Fc1ncccc1CSc2cccs2 62a_100000099810_100011215356 [0,1,0,0,1,0|2,0,0]=4 6470 B15R2.562 Fc1ncccc1CSc2cccs2 62a_100011215356_100000099810 [0,1,0,0,1,0|2,0,0]=4 6471 B15R2.562 Fc1ncccc1CSc2ccoc2 62a_100000099810_100011215275 [0,1,0,0,1,0|2,0,0]=4 6472 B15R2.562 Fc1ncccc1CSc2ccoc2 62a_100011215275_100000099810 [0,1,0,0,1,0|2,0,0]=4 6473 B15R2.562 Fc1ncccc1CSc2ccsc2 62a_100000099810_100000738268 [0,1,0,0,1,0|2,0,0]=4 6474 B15R2.562 Fc1ncccc1CSc2ccsc2 62a_100000738268_100000099810 [0,1,0,0,1,0|2,0,0]=4 6475 B15R2.562 Ic1ccccc1NCc2c[nH]cn2 34a_100000210053_100000707719 [0,1,0,0,1,0|1,0,0]=3 6476 B15R2.562 Ic1ccccc1NCc2cc[nH]n2 207a_100000210053_100000738523 [0,1,0,0,1,0|1,0,0]=3 6477 B15R2.562 Ic1ccccc1NCc2ccco2 207a_100000210053_100000186105 [0,1,0,0,1,0|1,0,0]=3 6478 B15R2.562 Ic1ccccc1NCc2cccs2 207a_100000210053_100000209959 [0,1,0,0,1,0|1,0,0]=3 6479 B15R2.562 Ic1ccccc1NCc2ccn[nH]2 34a_100000210053_100000728653 [0,1,0,0,1,0|1,0,0]=3 6480 B15R2.562 Ic1ccccc1NCc2ccoc2 207a_100000210053_100011215517 [0,1,0,0,1,0|1,0,0]=3 6481 B15R2.562 Ic1ccccc1NCc2ccon2 34a_100000210053_100000234950 [0,1,0,0,1,0|1,0,0]=3 6482 B15R2.562 Ic1ccccc1NCc2ccsc2 207a_100000210053_100000188534 [0,1,0,0,1,0|1,0,0]=3 6483 B15R2.562 Ic1ccccc1NCc2ccsc2 34a_100000210053_100011261437 [0,1,0,0,1,0|1,0,0]=3 6484 B15R2.562 Ic1ccccc1NCc2cn[nH]c2 207a_100000210053_100016992096 [0,1,0,0,1,0|1,0,0]=3 6485 B15R2.562 Ic1ccccc1NCc2cnc[nH]2 207a_100000210053_100000742939 [0,1,0,0,1,0|1,0,0]=3 6486 B15R2.562 Ic1ccccc1NCc2cncs2 207a_100000210053_100000749870 [0,1,0,0,1,0|1,0,0]=3 6487 B15R2.562 Ic1ccccc1NCc2cncs2 34a_100000210053_100015185245 [0,1,0,0,1,0|1,0,0]=3 6488 B15R2.562 Ic1ccccc1NCc2cscn2 207a_100000210053_100000743575 [0,1,0,0,1,0|1,0,0]=3 6489 B15R2.562 Ic1ccccc1NCc2cscn2 34a_100000210053_100000205941 [0,1,0,0,1,0|1,0,0]=3 6490 B15R2.562 Ic1ccccc1NCc2ncc[nH]2 207a_100000210053_100000743867 [0,1,0,0,1,0|1,0,0]=3 6491 B15R2.562 Ic1ccccc1NCc2ncc[nH]2 34a_100000210053_100016991755 [0,1,0,0,1,0|1,0,0]=3 6492 B15R2.562 Ic1ccccc1NCc2ncco2 34a_100000210053_103436540062 [0,1,0,0,1,0|1,0,0]=3 6493 B15R2.562 Ic1ccccc1NCc2nccs2 207a_100000210053_100000750902 [0,1,0,0,1,0|1,0,0]=3 6494 B15R2.562 Ic1ccccc1NCc2nccs2 34a_100000210053_100015184050 [0,1,0,0,1,0|1,0,0]=3 6495 B15R2.562 Ic1ccccc1NCc2ncon2 34a_100000210053_100000233494 [0,1,0,0,1,0|2,0,0]=4 6496 B15R2.562 Ic1ccccc1NCn2cncn2 34a_100000210053_200020645497 [0,1,0,0,1,0|2,0,0]=4 6497 B15R2.562 Ic1ccccc1OCc2c[nH]cn2 34a_100000739446_100000707719 [0,1,0,0,1,0|2,0,0]=4 6498 B15R2.562 Ic1ccccc1OCc2ccn[nH]2 34a_100000739446_100000728653 [0,1,0,0,1,0|2,0,0]=4 6499 B15R2.562 Ic1ccccc1OCc2ccn[nH]2 7a_100000739446_100000728653 [0,1,0,0,1,0|2,0,0]=4 6500 B15R2.562 Ic1ccccc1OCc2ccon2 34a_100000739446_100000234950 [0,1,0,0,1,0|2,0,0]=4 6501 B15R2.562 Ic1ccccc1OCc2ccon2 7a_100000739446_100000234950 [0,1,0,0,1,0|2,0,0]=4 6502 B15R2.562 Ic1ccccc1OCc2ccsc2 34a_100000739446_100011261437 [0,1,0,0,1,0|2,0,0]=4 6503 B15R2.562 Ic1ccccc1OCc2ccsc2 7a_100000739446_100011261437 [0,1,0,0,1,0|2,0,0]=4 6504 B15R2.562 Ic1ccccc1OCc2cncs2 34a_100000739446_100015185245 [0,1,0,0,1,0|2,0,0]=4 6505 B15R2.562 Ic1ccccc1OCc2cncs2 7a_100000739446_100015185245 [0,1,0,0,1,0|2,0,0]=4 6506 B15R2.562 Ic1ccccc1OCc2cscn2 34a_100000739446_100000205941 [0,1,0,0,1,0|2,0,0]=4 6507 B15R2.562 Ic1ccccc1OCc2cscn2 7a_100000739446_100000205941 [0,1,0,0,1,0|2,0,0]=4 6508 B15R2.562 Ic1ccccc1OCc2ncc[nH]2 34a_100000739446_100016991755 [0,1,0,0,1,0|2,0,0]=4 6509 B15R2.562 Ic1ccccc1OCc2ncc[nH]2 7a_100000739446_100000753453 [0,1,0,0,1,0|2,0,0]=4 6510 B15R2.562 Ic1ccccc1OCc2ncco2 34a_100000739446_103436540062 [0,1,0,0,1,0|2,0,0]=4 6511 B15R2.562 Ic1ccccc1OCc2ncco2 7a_100000739446_103436540062 [0,1,0,0,1,0|2,0,0]=4 6512 B15R2.562 Ic1ccccc1OCc2nccs2 34a_100000739446_100015184050 [0,1,0,0,1,0|2,0,0]=4 6513 B15R2.562 Ic1ccccc1OCc2nccs2 7a_100000739446_100015184050 [0,1,0,0,1,0|2,0,0]=4 6514 B15R2.562 Nc1ccccc1OCc2c[nH]cn2 34a_100000185747_100000707719 [0,1,0,0,1,0|2,0,0]=4 6515 B15R2.562 Nc1ccccc1OCc2ccn[nH]2 34a_100000185747_100000728653 [0,1,0,0,1,0|2,0,0]=4 6516 B15R2.562 Nc1ccccc1OCc2ccn[nH]2 7a_100000185747_100000728653 [0,1,0,0,1,0|2,0,0]=4 6517 B15R2.562 Nc1ccccc1OCc2ccon2 34a_100000185747_100000234950 [0,1,0,0,1,0|2,0,0]=4 6518 B15R2.562 Nc1ccccc1OCc2ccon2 7a_100000185747_100000234950 [0,1,0,0,1,0|2,0,0]=4 6519 B15R2.562 Nc1ccccc1OCc2ccsc2 34a_100000185747_100011261437 [0,1,0,0,1,0|2,0,0]=4 6520 B15R2.562 Nc1ccccc1OCc2ccsc2 7a_100000185747_100011261437 [0,1,0,0,1,0|2,0,0]=4 6521 B15R2.562 Nc1ccccc1OCc2cncs2 34a_100000185747_100015185245 [0,1,0,0,1,0|2,0,0]=4 6522 B15R2.562 Nc1ccccc1OCc2cncs2 7a_100000185747_100015185245 [0,1,0,0,1,0|2,0,0]=4 6523 B15R2.562 Nc1ccccc1OCc2cscn2 34a_100000185747_100000205941 [0,1,0,0,1,0|2,0,0]=4 6524 B15R2.562 Nc1ccccc1OCc2cscn2 7a_100000185747_100000205941 [0,1,0,0,1,0|2,0,0]=4 6525 B15R2.562 Nc1ccccc1OCc2ncc[nH]2 34a_100000185747_100016991755 [0,1,0,0,1,0|2,0,0]=4 6526 B15R2.562 Nc1ccccc1OCc2ncc[nH]2 7a_100000185747_100000753453 [0,1,0,0,1,0|2,0,0]=4 6527 B15R2.562 Nc1ccccc1OCc2ncco2 34a_100000185747_103436540062 [0,1,0,0,1,0|2,0,0]=4 6528 B15R2.562 Nc1ccccc1OCc2ncco2 7a_100000185747_103436540062 [0,1,0,0,1,0|2,0,0]=4 6529 B15R2.562 Nc1ccccc1OCc2nccs2 34a_100000185747_100015184050 [0,1,0,0,1,0|2,0,0]=4 6530 B15R2.562 Nc1ccccc1OCc2nccs2 7a_100000185747_100015184050 [0,1,0,0,1,0|2,0,0]=4 6531 B15R2.562 Nc1ccccc1SCc2c[nH]cn2 62a_100000210017_100000707719 [0,1,0,0,1,0|2,0,0]=4 6532 B15R2.562 Nc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000210017 [0,1,0,0,1,0|2,0,0]=4 6533 B15R2.562 Nc1ccccc1SCc2ccn[nH]2 62a_100000210017_100000728653 [0,1,0,0,1,0|2,0,0]=4 6534 B15R2.562 Nc1ccccc1SCc2ccn[nH]2 62a_100000728653_100000210017 [0,1,0,0,1,0|2,0,0]=4 6535 B15R2.562 Nc1ccccc1SCc2ccon2 62a_100000210017_100000234950 [0,1,0,0,1,0|2,0,0]=4 6536 B15R2.562 Nc1ccccc1SCc2ccon2 62a_100000234950_100000210017 [0,1,0,0,1,0|2,0,0]=4 6537 B15R2.562 Nc1ccccc1SCc2ccsc2 62a_100000210017_100011233845 [0,1,0,0,1,0|2,0,0]=4 6538 B15R2.562 Nc1ccccc1SCc2ccsc2 62a_100011261437_100000210017 [0,1,0,0,1,0|2,0,0]=4 6539 B15R2.562 Nc1ccccc1SCc2cncs2 62a_100000210017_100015185245 [0,1,0,0,1,0|2,0,0]=4 6540 B15R2.562 Nc1ccccc1SCc2cncs2 62a_100015185245_100000210017 [0,1,0,0,1,0|2,0,0]=4 6541 B15R2.562 Nc1ccccc1SCc2cscn2 62a_100000205941_100000210017 [0,1,0,0,1,0|2,0,0]=4 6542 B15R2.562 Nc1ccccc1SCc2cscn2 62a_100000210017_100000205941 [0,1,0,0,1,0|2,0,0]=4 6543 B15R2.562 Nc1ccccc1SCc2ncc[nH]2 62a_100000210017_100016991755 [0,1,0,0,1,0|2,0,0]=4 6544 B15R2.562 Nc1ccccc1SCc2ncc[nH]2 62a_100016991755_100000210017 [0,1,0,0,1,0|2,0,0]=4 6545 B15R2.562 Nc1ccccc1SCc2ncco2 62a_100000210017_103436540062 [0,1,0,0,1,0|2,0,0]=4 6546 B15R2.562 Nc1ccccc1SCc2ncco2 62a_103436540062_100000210017 [0,1,0,0,1,0|2,0,0]=4 6547 B15R2.562 Nc1ccccc1SCc2nccs2 62a_100000210017_100015184050 [0,1,0,0,1,0|2,0,0]=4 6548 B15R2.562 Nc1ccccc1SCc2nccs2 62a_100015184050_100000210017 [0,1,0,0,1,0|2,0,0]=4 6549 B15R2.562 Oc1ccccc1NCc2c[nH]cn2 34a_100000185747_100000707719 [0,1,0,0,1,0|1,0,0]=3 6550 B15R2.562 Oc1ccccc1NCc2ccn[nH]2 34a_100000185747_100000728653 [0,1,0,0,1,0|1,0,0]=3 6551 B15R2.562 Oc1ccccc1NCc2ccon2 34a_100000185747_100000234950 [0,1,0,0,1,0|1,0,0]=3 6552 B15R2.562 Oc1ccccc1NCc2ccsc2 34a_100000185747_100011261437 [0,1,0,0,1,0|1,0,0]=3 6553 B15R2.562 Oc1ccccc1NCc2cncs2 34a_100000185747_100015185245 [0,1,0,0,1,0|1,0,0]=3 6554 B15R2.562 Oc1ccccc1NCc2cscn2 34a_100000185747_100000205941 [0,1,0,0,1,0|1,0,0]=3 6555 B15R2.562 Oc1ccccc1NCc2ncc[nH]2 34a_100000185747_100016991755 [0,1,0,0,1,0|1,0,0]=3 6556 B15R2.562 Oc1ccccc1NCc2ncco2 34a_100000185747_103436540062 [0,1,0,0,1,0|1,0,0]=3 6557 B15R2.562 Oc1ccccc1NCc2nccs2 34a_100000185747_100015184050 [0,1,0,0,1,0|1,0,0]=3 6558 B15R2.562 Oc1ccccc1NCc2ncon2 34a_100000185747_100000233494 [0,1,0,0,1,0|2,0,0]=4 6559 B15R2.562 Oc1ccccc1NCn2cncn2 34a_100000185747_200020645497 [0,1,0,0,1,0|2,0,0]=4 6560 B15R2.562 Oc1ccccc1SCc2c[nH]cn2 62a_100000707719_100000739446 [0,1,0,0,1,0|2,0,0]=4 6561 B15R2.562 Oc1ccccc1SCc2c[nH]cn2 62a_100000739446_100000707719 [0,1,0,0,1,0|2,0,0]=4 6562 B15R2.562 Oc1ccccc1SCc2ccn[nH]2 62a_100000728653_100000739446 [0,1,0,0,1,0|2,0,0]=4 6563 B15R2.562 Oc1ccccc1SCc2ccn[nH]2 62a_100000739446_100000728653 [0,1,0,0,1,0|2,0,0]=4 6564 B15R2.562 Oc1ccccc1SCc2ccon2 62a_100000234950_100000739446 [0,1,0,0,1,0|2,0,0]=4 6565 B15R2.562 Oc1ccccc1SCc2ccon2 62a_100000739446_100000234950 [0,1,0,0,1,0|2,0,0]=4 6566 B15R2.562 Oc1ccccc1SCc2ccsc2 62a_100000739446_100011233845 [0,1,0,0,1,0|2,0,0]=4 6567 B15R2.562 Oc1ccccc1SCc2ccsc2 62a_100011261437_100000739446 [0,1,0,0,1,0|2,0,0]=4 6568 B15R2.562 Oc1ccccc1SCc2cncs2 62a_100000739446_100015185245 [0,1,0,0,1,0|2,0,0]=4 6569 B15R2.562 Oc1ccccc1SCc2cncs2 62a_100015185245_100000739446 [0,1,0,0,1,0|2,0,0]=4 6570 B15R2.562 Oc1ccccc1SCc2cscn2 62a_100000205941_100000739446 [0,1,0,0,1,0|2,0,0]=4 6571 B15R2.562 Oc1ccccc1SCc2cscn2 62a_100000739446_100000205941 [0,1,0,0,1,0|2,0,0]=4 6572 B15R2.562 Oc1ccccc1SCc2ncc[nH]2 62a_100000739446_100016991755 [0,1,0,0,1,0|2,0,0]=4 6573 B15R2.562 Oc1ccccc1SCc2ncc[nH]2 62a_100016991755_100000739446 [0,1,0,0,1,0|2,0,0]=4 6574 B15R2.562 Oc1ccccc1SCc2ncco2 62a_100000739446_103436540062 [0,1,0,0,1,0|2,0,0]=4 6575 B15R2.562 Oc1ccccc1SCc2ncco2 62a_103436540062_100000739446 [0,1,0,0,1,0|2,0,0]=4 6576 B15R2.562 Oc1ccccc1SCc2nccs2 62a_100000739446_100015184050 [0,1,0,0,1,0|2,0,0]=4 6577 B15R2.562 Oc1ccccc1SCc2nccs2 62a_100015184050_100000739446 [0,1,0,0,1,0|2,0,0]=4 6578 B15R2.1117 Brc1cccc(c1)NCc2c[nH]cn2 34a_100000210019_100000707719 [0,1,0,0,1,0|1,0,0]=3 6579 B15R2.1117 Brc1cccc(c1)NCc2cc[nH]n2 207a_100000210019_100000738523 [0,1,0,0,1,0|1,0,0]=3 6580 B15R2.1117 Brc1cccc(c1)NCc2ccco2 207a_100000210019_100000186105 [0,1,0,0,1,0|1,0,0]=3 6581 B15R2.1117 Brc1cccc(c1)NCc2ccco2 270302a_100000210019_100000186105 [0,1,0,0,1,0|1,0,0]=3 6582 B15R2.1117 Brc1cccc(c1)NCc2cccs2 207a_100000210019_100000209959 [0,1,0,0,1,0|1,0,0]=3 6583 B15R2.1117 Brc1cccc(c1)NCc2cccs2 270302a_100000210019_100000209959 [0,1,0,0,1,0|1,0,0]=3 6584 B15R2.1117 Brc1cccc(c1)NCc2ccn[nH]2 34a_100000210019_100000728653 [0,1,0,0,1,0|1,0,0]=3 6585 B15R2.1117 Brc1cccc(c1)NCc2ccoc2 207a_100000210019_100011215517 [0,1,0,0,1,0|1,0,0]=3 6586 B15R2.1117 Brc1cccc(c1)NCc2ccon2 34a_100000210019_100000234950 [0,1,0,0,1,0|1,0,0]=3 6587 B15R2.1117 Brc1cccc(c1)NCc2ccsc2 207a_100000210019_100000188534 [0,1,0,0,1,0|1,0,0]=3 6588 B15R2.1117 Brc1cccc(c1)NCc2ccsc2 270302a_100000210019_100000188534 [0,1,0,0,1,0|1,0,0]=3 6589 B15R2.1117 Brc1cccc(c1)NCc2ccsc2 34a_100000210019_100011261437 [0,1,0,0,1,0|1,0,0]=3 6590 B15R2.1117 Brc1cccc(c1)NCc2cn[nH]c2 207a_100000210019_100016992096 [0,1,0,0,1,0|1,0,0]=3 6591 B15R2.1117 Brc1cccc(c1)NCc2cn[nH]c2 270302a_100000210019_100016992096 [0,1,0,0,1,0|1,0,0]=3 6592 B15R2.1117 Brc1cccc(c1)NCc2cnc[nH]2 207a_100000210019_100000742939 [0,1,0,0,1,0|1,0,0]=3 6593 B15R2.1117 Brc1cccc(c1)NCc2cncs2 207a_100000210019_100000749870 [0,1,0,0,1,0|1,0,0]=3 6594 B15R2.1117 Brc1cccc(c1)NCc2cncs2 270302a_100000210019_100000749870 [0,1,0,0,1,0|1,0,0]=3 6595 B15R2.1117 Brc1cccc(c1)NCc2cncs2 34a_100000210019_100015185245 [0,1,0,0,1,0|1,0,0]=3 6596 B15R2.1117 Brc1cccc(c1)NCc2cscn2 207a_100000210019_100000743575 [0,1,0,0,1,0|1,0,0]=3 6597 B15R2.1117 Brc1cccc(c1)NCc2cscn2 270302a_100000210019_100000743575 [0,1,0,0,1,0|1,0,0]=3 6598 B15R2.1117 Brc1cccc(c1)NCc2cscn2 34a_100000210019_100000205941 [0,1,0,0,1,0|1,0,0]=3 6599 B15R2.1117 Brc1cccc(c1)NCc2ncc[nH]2 207a_100000210019_100000743867 [0,1,0,0,1,0|1,0,0]=3 6600 B15R2.1117 Brc1cccc(c1)NCc2ncc[nH]2 34a_100000210019_100016991755 [0,1,0,0,1,0|1,0,0]=3 6601 B15R2.1117 Brc1cccc(c1)NCc2ncco2 34a_100000210019_103436540062 [0,1,0,0,1,0|1,0,0]=3 6602 B15R2.1117 Brc1cccc(c1)NCc2nccs2 207a_100000210019_100000750902 [0,1,0,0,1,0|1,0,0]=3 6603 B15R2.1117 Brc1cccc(c1)NCc2nccs2 270302a_100000210019_100000750902 [0,1,0,0,1,0|1,0,0]=3 6604 B15R2.1117 Brc1cccc(c1)NCc2nccs2 34a_100000210019_100015184050 [0,1,0,0,1,0|1,0,0]=3 6605 B15R2.1117 Brc1cccc(c1)NCc2ncon2 34a_100000210019_100000233494 [0,1,0,0,1,0|2,0,0]=4 6606 B15R2.1117 Brc1cccc(c1)NCn2cncn2 34a_100000210019_200020645497 [0,1,0,0,1,0|2,0,0]=4 6607 B15R2.1117 Brc1cccc(c1)OCc2c[nH]cn2 34a_100000210342_100000707719 [0,1,0,0,1,0|2,0,0]=4 6608 B15R2.1117 Brc1cccc(c1)OCc2ccn[nH]2 34a_100000210342_100000728653 [0,1,0,0,1,0|2,0,0]=4 6609 B15R2.1117 Brc1cccc(c1)OCc2ccn[nH]2 7a_100000210342_100000728653 [0,1,0,0,1,0|2,0,0]=4 6610 B15R2.1117 Brc1cccc(c1)OCc2ccon2 34a_100000210342_100000234950 [0,1,0,0,1,0|2,0,0]=4 6611 B15R2.1117 Brc1cccc(c1)OCc2ccon2 7a_100000210342_100000234950 [0,1,0,0,1,0|2,0,0]=4 6612 B15R2.1117 Brc1cccc(c1)OCc2ccsc2 34a_100000210342_100011261437 [0,1,0,0,1,0|2,0,0]=4 6613 B15R2.1117 Brc1cccc(c1)OCc2ccsc2 7a_100000210342_100011261437 [0,1,0,0,1,0|2,0,0]=4 6614 B15R2.1117 Brc1cccc(c1)OCc2cncs2 34a_100000210342_100015185245 [0,1,0,0,1,0|2,0,0]=4 6615 B15R2.1117 Brc1cccc(c1)OCc2cncs2 7a_100000210342_100015185245 [0,1,0,0,1,0|2,0,0]=4 6616 B15R2.1117 Brc1cccc(c1)OCc2cscn2 34a_100000210342_100000205941 [0,1,0,0,1,0|2,0,0]=4 6617 B15R2.1117 Brc1cccc(c1)OCc2cscn2 7a_100000210342_100000205941 [0,1,0,0,1,0|2,0,0]=4 6618 B15R2.1117 Brc1cccc(c1)OCc2ncc[nH]2 34a_100000210342_100016991755 [0,1,0,0,1,0|2,0,0]=4 6619 B15R2.1117 Brc1cccc(c1)OCc2ncc[nH]2 7a_100000210342_100000753453 [0,1,0,0,1,0|2,0,0]=4 6620 B15R2.1117 Brc1cccc(c1)OCc2ncco2 34a_100000210342_103436540062 [0,1,0,0,1,0|2,0,0]=4 6621 B15R2.1117 Brc1cccc(c1)OCc2ncco2 7a_100000210342_103436540062 [0,1,0,0,1,0|2,0,0]=4 6622 B15R2.1117 Brc1cccc(c1)OCc2nccs2 34a_100000210342_100015184050 [0,1,0,0,1,0|2,0,0]=4 6623 B15R2.1117 Brc1cccc(c1)OCc2nccs2 7a_100000210342_100015184050 [0,1,0,0,1,0|2,0,0]=4 6624 B15R2.1117 Brc1cccc(c1)SCc2c[nH]cn2 62a_100000691529_100000707719 [0,1,0,0,1,0|2,0,0]=4 6625 B15R2.1117 Brc1cccc(c1)SCc2c[nH]cn2 62a_100000707719_100000691529 [0,1,0,0,1,0|2,0,0]=4 6626 B15R2.1117 Brc1cccc(c1)SCc2ccn[nH]2 62a_100000691529_100000728653 [0,1,0,0,1,0|2,0,0]=4 6627 B15R2.1117 Brc1cccc(c1)SCc2ccn[nH]2 62a_100000728653_100000691529 [0,1,0,0,1,0|2,0,0]=4 6628 B15R2.1117 Brc1cccc(c1)SCc2ccon2 62a_100000234950_100000691529 [0,1,0,0,1,0|2,0,0]=4 6629 B15R2.1117 Brc1cccc(c1)SCc2ccon2 62a_100000691529_100000234950 [0,1,0,0,1,0|2,0,0]=4 6630 B15R2.1117 Brc1cccc(c1)SCc2ccsc2 62a_100000691529_100011233845 [0,1,0,0,1,0|2,0,0]=4 6631 B15R2.1117 Brc1cccc(c1)SCc2ccsc2 62a_100011261437_100000691529 [0,1,0,0,1,0|2,0,0]=4 6632 B15R2.1117 Brc1cccc(c1)SCc2cncs2 62a_100000691529_100015185245 [0,1,0,0,1,0|2,0,0]=4 6633 B15R2.1117 Brc1cccc(c1)SCc2cncs2 62a_100015185245_100000691529 [0,1,0,0,1,0|2,0,0]=4 6634 B15R2.1117 Brc1cccc(c1)SCc2cscn2 62a_100000205941_100000691529 [0,1,0,0,1,0|2,0,0]=4 6635 B15R2.1117 Brc1cccc(c1)SCc2cscn2 62a_100000691529_100000205941 [0,1,0,0,1,0|2,0,0]=4 6636 B15R2.1117 Brc1cccc(c1)SCc2ncc[nH]2 62a_100000691529_100016991755 [0,1,0,0,1,0|2,0,0]=4 6637 B15R2.1117 Brc1cccc(c1)SCc2ncc[nH]2 62a_100016991755_100000691529 [0,1,0,0,1,0|2,0,0]=4 6638 B15R2.1117 Brc1cccc(c1)SCc2ncco2 62a_100000691529_103436540062 [0,1,0,0,1,0|2,0,0]=4 6639 B15R2.1117 Brc1cccc(c1)SCc2ncco2 62a_103436540062_100000691529 [0,1,0,0,1,0|2,0,0]=4 6640 B15R2.1117 Brc1cccc(c1)SCc2nccs2 62a_100000691529_100015184050 [0,1,0,0,1,0|2,0,0]=4 6641 B15R2.1117 Brc1cccc(c1)SCc2nccs2 62a_100015184050_100000691529 [0,1,0,0,1,0|2,0,0]=4 6642 B15R2.1117 Brc1cncc(c1)COc2ccsc2 34a_100000106738_100000738771 [0,1,0,0,1,0|2,0,0]=4 6643 B15R2.1117 Brc1cncc(c1)COc2ccsc2 7a_100000106738_100000738771 [0,1,0,0,1,0|2,0,0]=4 6644 B15R2.1117 Brc1cncc(c1)CSc2ccco2 62a_100000738771_100009814098 [0,1,0,0,1,0|2,0,0]=4 6645 B15R2.1117 Brc1cncc(c1)CSc2ccco2 62a_100009814098_100000738771 [0,1,0,0,1,0|2,0,0]=4 6646 B15R2.1117 Brc1cncc(c1)CSc2cccs2 62a_100000738771_100011215356 [0,1,0,0,1,0|2,0,0]=4 6647 B15R2.1117 Brc1cncc(c1)CSc2cccs2 62a_100011215356_100000738771 [0,1,0,0,1,0|2,0,0]=4 6648 B15R2.1117 Brc1cncc(c1)CSc2ccoc2 62a_100000738771_100011215275 [0,1,0,0,1,0|2,0,0]=4 6649 B15R2.1117 Brc1cncc(c1)CSc2ccoc2 62a_100011215275_100000738771 [0,1,0,0,1,0|2,0,0]=4 6650 B15R2.1117 Brc1cncc(c1)CSc2ccsc2 62a_100000738268_100000738771 [0,1,0,0,1,0|2,0,0]=4 6651 B15R2.1117 Brc1cncc(c1)CSc2ccsc2 62a_100000738771_100000738268 [0,1,0,0,1,0|2,0,0]=4 6652 B15R2.1117 Cc1cc(ccn1)NCc2c[nH]cn2 27a_100000758547_100000758586 [0,1,0,0,1,0|2,0,0]=4 6653 B15R2.1117 Cc1cc(ccn1)NCc2cc[nH]n2 27a_100000739516_100000758586 [0,1,0,0,1,0|2,0,0]=4 6654 B15R2.1117 Cc1cc(ccn1)NCc2ccco2 27a_100000185738_100000758586 [0,1,0,0,1,0|2,0,0]=4 6655 B15R2.1117 Cc1cc(ccn1)NCc2cccs2 27a_100000211653_100000758586 [0,1,0,0,1,0|2,0,0]=4 6656 B15R2.1117 Cc1cc(ccn1)NCc2ccoc2 27a_100015206860_100000758586 [0,1,0,0,1,0|2,0,0]=4 6657 B15R2.1117 Cc1cc(ccn1)NCc2ccon2 27a_100000688301_100000758586 [0,1,0,0,1,0|2,0,0]=4 6658 B15R2.1117 Cc1cc(ccn1)NCc2ccsc2 27a_100000186416_100000758586 [0,1,0,0,1,0|2,0,0]=4 6659 B15R2.1117 Cc1cc(ccn1)NCc2cn[nH]c2 27a_100000737208_100000758586 [0,1,0,0,1,0|2,0,0]=4 6660 B15R2.1117 Cc1cc(ccn1)NCc2cnco2 27a_100020634212_100000758586 [0,1,0,0,1,0|2,0,0]=4 6661 B15R2.1117 Cc1cc(ccn1)NCc2cncs2 27a_100016987365_100000758586 [0,1,0,0,1,0|2,0,0]=4 6662 B15R2.1117 Cc1cc(ccn1)NCc2cocn2 27a_100015188801_100000758586 [0,1,0,0,1,0|2,0,0]=4 6663 B15R2.1117 Cc1cc(ccn1)NCc2cscn2 27a_100015185402_100000758586 [0,1,0,0,1,0|2,0,0]=4 6664 B15R2.1117 Cc1cc(ccn1)NCc2ncc[nH]2 27a_100000754540_100000758586 [0,1,0,0,1,0|2,0,0]=4 6665 B15R2.1117 Cc1cc(ccn1)NCc2ncco2 27a_100016994969_100000758586 [0,1,0,0,1,0|2,0,0]=4 6666 B15R2.1117 Cc1cc(ccn1)NCc2nccs2 27a_100000740555_100000758586 [0,1,0,0,1,0|2,0,0]=4 6667 B15R2.1117 Cc1cccc(c1)NCc2c[nH]cn2 2230a_100000188690_100000707719 [0,1,0,0,1,0|1,0,0]=3 6668 B15R2.1117 Cc1cccc(c1)NCc2c[nH]cn2 34a_100000188690_100000707719 [0,1,0,0,1,0|1,0,0]=3 6669 B15R2.1117 Cc1cccc(c1)NCc2cc[nH]n2 207a_100000188690_100000738523 [0,1,0,0,1,0|1,0,0]=3 6670 B15R2.1117 Cc1cccc(c1)NCc2ccco2 207a_100000188690_100000186105 [0,1,0,0,1,0|1,0,0]=3 6671 B15R2.1117 Cc1cccc(c1)NCc2ccco2 270302a_100000188690_100000186105 [0,1,0,0,1,0|1,0,0]=3 6672 B15R2.1117 Cc1cccc(c1)NCc2cccs2 207a_100000188690_100000209959 [0,1,0,0,1,0|1,0,0]=3 6673 B15R2.1117 Cc1cccc(c1)NCc2cccs2 270302a_100000188690_100000209959 [0,1,0,0,1,0|1,0,0]=3 6674 B15R2.1117 Cc1cccc(c1)NCc2ccn[nH]2 2230a_100000188690_100000728653 [0,1,0,0,1,0|1,0,0]=3 6675 B15R2.1117 Cc1cccc(c1)NCc2ccn[nH]2 34a_100000188690_100000728653 [0,1,0,0,1,0|1,0,0]=3 6676 B15R2.1117 Cc1cccc(c1)NCc2ccoc2 207a_100000188690_100011215517 [0,1,0,0,1,0|1,0,0]=3 6677 B15R2.1117 Cc1cccc(c1)NCc2ccon2 2230a_100000188690_100000234950 [0,1,0,0,1,0|1,0,0]=3 6678 B15R2.1117 Cc1cccc(c1)NCc2ccon2 34a_100000188690_100000234950 [0,1,0,0,1,0|1,0,0]=3 6679 B15R2.1117 Cc1cccc(c1)NCc2ccsc2 207a_100000188690_100000188534 [0,1,0,0,1,0|1,0,0]=3 6680 B15R2.1117 Cc1cccc(c1)NCc2ccsc2 2230a_100000188690_100011261437 [0,1,0,0,1,0|1,0,0]=3 6681 B15R2.1117 Cc1cccc(c1)NCc2ccsc2 270302a_100000188690_100000188534 [0,1,0,0,1,0|1,0,0]=3 6682 B15R2.1117 Cc1cccc(c1)NCc2ccsc2 34a_100000188690_100011261437 [0,1,0,0,1,0|1,0,0]=3 6683 B15R2.1117 Cc1cccc(c1)NCc2cn[nH]c2 207a_100000188690_100016992096 [0,1,0,0,1,0|1,0,0]=3 6684 B15R2.1117 Cc1cccc(c1)NCc2cn[nH]c2 270302a_100000188690_100016992096 [0,1,0,0,1,0|1,0,0]=3 6685 B15R2.1117 Cc1cccc(c1)NCc2cnc[nH]2 207a_100000188690_100000742939 [0,1,0,0,1,0|1,0,0]=3 6686 B15R2.1117 Cc1cccc(c1)NCc2cncs2 207a_100000188690_100000749870 [0,1,0,0,1,0|1,0,0]=3 6687 B15R2.1117 Cc1cccc(c1)NCc2cncs2 2230a_100000188690_100015185245 [0,1,0,0,1,0|1,0,0]=3 6688 B15R2.1117 Cc1cccc(c1)NCc2cncs2 270302a_100000188690_100000749870 [0,1,0,0,1,0|1,0,0]=3 6689 B15R2.1117 Cc1cccc(c1)NCc2cncs2 34a_100000188690_100015185245 [0,1,0,0,1,0|1,0,0]=3 6690 B15R2.1117 Cc1cccc(c1)NCc2cscn2 207a_100000188690_100000743575 [0,1,0,0,1,0|1,0,0]=3 6691 B15R2.1117 Cc1cccc(c1)NCc2cscn2 2230a_100000188690_100000205941 [0,1,0,0,1,0|1,0,0]=3 6692 B15R2.1117 Cc1cccc(c1)NCc2cscn2 270302a_100000188690_100000743575 [0,1,0,0,1,0|1,0,0]=3 6693 B15R2.1117 Cc1cccc(c1)NCc2cscn2 34a_100000188690_100000205941 [0,1,0,0,1,0|1,0,0]=3 6694 B15R2.1117 Cc1cccc(c1)NCc2ncc[nH]2 207a_100000188690_100000743867 [0,1,0,0,1,0|1,0,0]=3 6695 B15R2.1117 Cc1cccc(c1)NCc2ncc[nH]2 2230a_100000188690_100016991755 [0,1,0,0,1,0|1,0,0]=3 6696 B15R2.1117 Cc1cccc(c1)NCc2ncc[nH]2 34a_100000188690_100016991755 [0,1,0,0,1,0|1,0,0]=3 6697 B15R2.1117 Cc1cccc(c1)NCc2ncco2 2230a_100000188690_103436540062 [0,1,0,0,1,0|1,0,0]=3 6698 B15R2.1117 Cc1cccc(c1)NCc2ncco2 34a_100000188690_103436540062 [0,1,0,0,1,0|1,0,0]=3 6699 B15R2.1117 Cc1cccc(c1)NCc2nccs2 207a_100000188690_100000750902 [0,1,0,0,1,0|1,0,0]=3 6700 B15R2.1117 Cc1cccc(c1)NCc2nccs2 2230a_100000188690_100015184050 [0,1,0,0,1,0|1,0,0]=3 6701 B15R2.1117 Cc1cccc(c1)NCc2nccs2 270302a_100000188690_100000750902 [0,1,0,0,1,0|1,0,0]=3 6702 B15R2.1117 Cc1cccc(c1)NCc2nccs2 34a_100000188690_100015184050 [0,1,0,0,1,0|1,0,0]=3 6703 B15R2.1117 Cc1cccc(c1)NCc2ncon2 34a_100000188690_100000233494 [0,1,0,0,1,0|2,0,0]=4 6704 B15R2.1117 Cc1cccc(c1)NCn2cncn2 2230a_100000188690_200020645497 [0,1,0,0,1,0|2,0,0]=4 6705 B15R2.1117 Cc1cccc(c1)NCn2cncn2 34a_100000188690_200020645497 [0,1,0,0,1,0|2,0,0]=4 6706 B15R2.1117 Cc1cccc(c1)OCc2c[nH]cn2 34a_100000210337_100000707719 [0,1,0,0,1,0|2,0,0]=4 6707 B15R2.1117 Cc1cccc(c1)OCc2ccn[nH]2 34a_100000210337_100000728653 [0,1,0,0,1,0|2,0,0]=4 6708 B15R2.1117 Cc1cccc(c1)OCc2ccn[nH]2 7a_100000210337_100000728653 [0,1,0,0,1,0|2,0,0]=4 6709 B15R2.1117 Cc1cccc(c1)OCc2ccon2 34a_100000210337_100000234950 [0,1,0,0,1,0|2,0,0]=4 6710 B15R2.1117 Cc1cccc(c1)OCc2ccon2 7a_100000210337_100000234950 [0,1,0,0,1,0|2,0,0]=4 6711 B15R2.1117 Cc1cccc(c1)OCc2ccsc2 34a_100000210337_100011261437 [0,1,0,0,1,0|2,0,0]=4 6712 B15R2.1117 Cc1cccc(c1)OCc2ccsc2 7a_100000210337_100011261437 [0,1,0,0,1,0|2,0,0]=4 6713 B15R2.1117 Cc1cccc(c1)OCc2cncs2 34a_100000210337_100015185245 [0,1,0,0,1,0|2,0,0]=4 6714 B15R2.1117 Cc1cccc(c1)OCc2cncs2 7a_100000210337_100015185245 [0,1,0,0,1,0|2,0,0]=4 6715 B15R2.1117 Cc1cccc(c1)OCc2cscn2 34a_100000210337_100000205941 [0,1,0,0,1,0|2,0,0]=4 6716 B15R2.1117 Cc1cccc(c1)OCc2cscn2 7a_100000210337_100000205941 [0,1,0,0,1,0|2,0,0]=4 6717 B15R2.1117 Cc1cccc(c1)OCc2ncc[nH]2 34a_100000210337_100016991755 [0,1,0,0,1,0|2,0,0]=4 6718 B15R2.1117 Cc1cccc(c1)OCc2ncc[nH]2 7a_100000210337_100000753453 [0,1,0,0,1,0|2,0,0]=4 6719 B15R2.1117 Cc1cccc(c1)OCc2ncco2 34a_100000210337_103436540062 [0,1,0,0,1,0|2,0,0]=4 6720 B15R2.1117 Cc1cccc(c1)OCc2ncco2 7a_100000210337_103436540062 [0,1,0,0,1,0|2,0,0]=4 6721 B15R2.1117 Cc1cccc(c1)OCc2nccs2 34a_100000210337_100015184050 [0,1,0,0,1,0|2,0,0]=4 6722 B15R2.1117 Cc1cccc(c1)OCc2nccs2 7a_100000210337_100015184050 [0,1,0,0,1,0|2,0,0]=4 6723 B15R2.1117 Cc1cccc(c1)SCc2c[nH]cn2 62a_100000707719_100011215228 [0,1,0,0,1,0|2,0,0]=4 6724 B15R2.1117 Cc1cccc(c1)SCc2c[nH]cn2 62a_100011215228_100000707719 [0,1,0,0,1,0|2,0,0]=4 6725 B15R2.1117 Cc1cccc(c1)SCc2ccn[nH]2 62a_100000728653_100011215228 [0,1,0,0,1,0|2,0,0]=4 6726 B15R2.1117 Cc1cccc(c1)SCc2ccn[nH]2 62a_100011215228_100000728653 [0,1,0,0,1,0|2,0,0]=4 6727 B15R2.1117 Cc1cccc(c1)SCc2ccon2 62a_100000234950_100011215228 [0,1,0,0,1,0|2,0,0]=4 6728 B15R2.1117 Cc1cccc(c1)SCc2ccon2 62a_100011215228_100000234950 [0,1,0,0,1,0|2,0,0]=4 6729 B15R2.1117 Cc1cccc(c1)SCc2ccsc2 62a_100011215228_100011233845 [0,1,0,0,1,0|2,0,0]=4 6730 B15R2.1117 Cc1cccc(c1)SCc2ccsc2 62a_100011261437_100011215228 [0,1,0,0,1,0|2,0,0]=4 6731 B15R2.1117 Cc1cccc(c1)SCc2cncs2 62a_100011215228_100015185245 [0,1,0,0,1,0|2,0,0]=4 6732 B15R2.1117 Cc1cccc(c1)SCc2cncs2 62a_100015185245_100011215228 [0,1,0,0,1,0|2,0,0]=4 6733 B15R2.1117 Cc1cccc(c1)SCc2cscn2 62a_100000205941_100011215228 [0,1,0,0,1,0|2,0,0]=4 6734 B15R2.1117 Cc1cccc(c1)SCc2cscn2 62a_100011215228_100000205941 [0,1,0,0,1,0|2,0,0]=4 6735 B15R2.1117 Cc1cccc(c1)SCc2ncc[nH]2 62a_100011215228_100016991755 [0,1,0,0,1,0|2,0,0]=4 6736 B15R2.1117 Cc1cccc(c1)SCc2ncc[nH]2 62a_100016991755_100011215228 [0,1,0,0,1,0|2,0,0]=4 6737 B15R2.1117 Cc1cccc(c1)SCc2ncco2 62a_100011215228_103436540062 [0,1,0,0,1,0|2,0,0]=4 6738 B15R2.1117 Cc1cccc(c1)SCc2ncco2 62a_103436540062_100011215228 [0,1,0,0,1,0|2,0,0]=4 6739 B15R2.1117 Cc1cccc(c1)SCc2nccs2 62a_100011215228_100015184050 [0,1,0,0,1,0|2,0,0]=4 6740 B15R2.1117 Cc1cccc(c1)SCc2nccs2 62a_100015184050_100011215228 [0,1,0,0,1,0|2,0,0]=4 6741 B15R2.1117 Cc1cncc(c1)COc2ccsc2 34a_100000106738_100000716715 [0,1,0,0,1,0|2,0,0]=4 6742 B15R2.1117 Cc1cncc(c1)COc2ccsc2 7a_100000106738_100000716715 [0,1,0,0,1,0|2,0,0]=4 6743 B15R2.1117 Cc1cncc(c1)CSc2ccco2 62a_100000716715_100009814098 [0,1,0,0,1,0|2,0,0]=4 6744 B15R2.1117 Cc1cncc(c1)CSc2ccco2 62a_100009814098_100000716715 [0,1,0,0,1,0|2,0,0]=4 6745 B15R2.1117 Cc1cncc(c1)CSc2cccs2 62a_100000716715_100011215356 [0,1,0,0,1,0|2,0,0]=4 6746 B15R2.1117 Cc1cncc(c1)CSc2cccs2 62a_100011215356_100000716715 [0,1,0,0,1,0|2,0,0]=4 6747 B15R2.1117 Cc1cncc(c1)CSc2ccoc2 62a_100000716715_100011215275 [0,1,0,0,1,0|2,0,0]=4 6748 B15R2.1117 Cc1cncc(c1)CSc2ccoc2 62a_100011215275_100000716715 [0,1,0,0,1,0|2,0,0]=4 6749 B15R2.1117 Cc1cncc(c1)CSc2ccsc2 62a_100000716715_100000738268 [0,1,0,0,1,0|2,0,0]=4 6750 B15R2.1117 Cc1cncc(c1)CSc2ccsc2 62a_100000738268_100000716715 [0,1,0,0,1,0|2,0,0]=4 6751 B15R2.1117 Clc1cccc(c1)NCc2c[nH]cn2 34a_100000185859_100000707719 [0,1,0,0,1,0|1,0,0]=3 6752 B15R2.1117 Clc1cccc(c1)NCc2cc[nH]n2 207a_100000185859_100000738523 [0,1,0,0,1,0|1,0,0]=3 6753 B15R2.1117 Clc1cccc(c1)NCc2ccco2 207a_100000185859_100000186105 [0,1,0,0,1,0|1,0,0]=3 6754 B15R2.1117 Clc1cccc(c1)NCc2ccco2 270302a_100000185859_100000186105 [0,1,0,0,1,0|1,0,0]=3 6755 B15R2.1117 Clc1cccc(c1)NCc2cccs2 207a_100000185859_100000209959 [0,1,0,0,1,0|1,0,0]=3 6756 B15R2.1117 Clc1cccc(c1)NCc2cccs2 270302a_100000185859_100000209959 [0,1,0,0,1,0|1,0,0]=3 6757 B15R2.1117 Clc1cccc(c1)NCc2ccn[nH]2 34a_100000185859_100000728653 [0,1,0,0,1,0|1,0,0]=3 6758 B15R2.1117 Clc1cccc(c1)NCc2ccoc2 207a_100000185859_100011215517 [0,1,0,0,1,0|1,0,0]=3 6759 B15R2.1117 Clc1cccc(c1)NCc2ccon2 34a_100000185859_100000234950 [0,1,0,0,1,0|1,0,0]=3 6760 B15R2.1117 Clc1cccc(c1)NCc2ccsc2 207a_100000185859_100000188534 [0,1,0,0,1,0|1,0,0]=3 6761 B15R2.1117 Clc1cccc(c1)NCc2ccsc2 270302a_100000185859_100000188534 [0,1,0,0,1,0|1,0,0]=3 6762 B15R2.1117 Clc1cccc(c1)NCc2ccsc2 34a_100000185859_100011261437 [0,1,0,0,1,0|1,0,0]=3 6763 B15R2.1117 Clc1cccc(c1)NCc2cn[nH]c2 207a_100000185859_100016992096 [0,1,0,0,1,0|1,0,0]=3 6764 B15R2.1117 Clc1cccc(c1)NCc2cn[nH]c2 270302a_100000185859_100016992096 [0,1,0,0,1,0|1,0,0]=3 6765 B15R2.1117 Clc1cccc(c1)NCc2cnc[nH]2 207a_100000185859_100000742939 [0,1,0,0,1,0|1,0,0]=3 6766 B15R2.1117 Clc1cccc(c1)NCc2cncs2 207a_100000185859_100000749870 [0,1,0,0,1,0|1,0,0]=3 6767 B15R2.1117 Clc1cccc(c1)NCc2cncs2 270302a_100000185859_100000749870 [0,1,0,0,1,0|1,0,0]=3 6768 B15R2.1117 Clc1cccc(c1)NCc2cncs2 34a_100000185859_100015185245 [0,1,0,0,1,0|1,0,0]=3 6769 B15R2.1117 Clc1cccc(c1)NCc2cscn2 207a_100000185859_100000743575 [0,1,0,0,1,0|1,0,0]=3 6770 B15R2.1117 Clc1cccc(c1)NCc2cscn2 270302a_100000185859_100000743575 [0,1,0,0,1,0|1,0,0]=3 6771 B15R2.1117 Clc1cccc(c1)NCc2cscn2 34a_100000185859_100000205941 [0,1,0,0,1,0|1,0,0]=3 6772 B15R2.1117 Clc1cccc(c1)NCc2ncc[nH]2 207a_100000185859_100000743867 [0,1,0,0,1,0|1,0,0]=3 6773 B15R2.1117 Clc1cccc(c1)NCc2ncc[nH]2 34a_100000185859_100016991755 [0,1,0,0,1,0|1,0,0]=3 6774 B15R2.1117 Clc1cccc(c1)NCc2ncco2 34a_100000185859_103436540062 [0,1,0,0,1,0|1,0,0]=3 6775 B15R2.1117 Clc1cccc(c1)NCc2nccs2 207a_100000185859_100000750902 [0,1,0,0,1,0|1,0,0]=3 6776 B15R2.1117 Clc1cccc(c1)NCc2nccs2 270302a_100000185859_100000750902 [0,1,0,0,1,0|1,0,0]=3 6777 B15R2.1117 Clc1cccc(c1)NCc2nccs2 34a_100000185859_100015184050 [0,1,0,0,1,0|1,0,0]=3 6778 B15R2.1117 Clc1cccc(c1)NCc2ncon2 34a_100000185859_100000233494 [0,1,0,0,1,0|2,0,0]=4 6779 B15R2.1117 Clc1cccc(c1)NCn2cncn2 34a_100000185859_200020645497 [0,1,0,0,1,0|2,0,0]=4 6780 B15R2.1117 Clc1cccc(c1)OCc2c[nH]cn2 34a_100000210295_100000707719 [0,1,0,0,1,0|2,0,0]=4 6781 B15R2.1117 Clc1cccc(c1)OCc2ccn[nH]2 34a_100000210295_100000728653 [0,1,0,0,1,0|2,0,0]=4 6782 B15R2.1117 Clc1cccc(c1)OCc2ccn[nH]2 7a_100000210295_100000728653 [0,1,0,0,1,0|2,0,0]=4 6783 B15R2.1117 Clc1cccc(c1)OCc2ccon2 34a_100000210295_100000234950 [0,1,0,0,1,0|2,0,0]=4 6784 B15R2.1117 Clc1cccc(c1)OCc2ccon2 7a_100000210295_100000234950 [0,1,0,0,1,0|2,0,0]=4 6785 B15R2.1117 Clc1cccc(c1)OCc2ccsc2 34a_100000210295_100011261437 [0,1,0,0,1,0|2,0,0]=4 6786 B15R2.1117 Clc1cccc(c1)OCc2ccsc2 7a_100000210295_100011261437 [0,1,0,0,1,0|2,0,0]=4 6787 B15R2.1117 Clc1cccc(c1)OCc2cncs2 34a_100000210295_100015185245 [0,1,0,0,1,0|2,0,0]=4 6788 B15R2.1117 Clc1cccc(c1)OCc2cncs2 7a_100000210295_100015185245 [0,1,0,0,1,0|2,0,0]=4 6789 B15R2.1117 Clc1cccc(c1)OCc2cscn2 34a_100000210295_100000205941 [0,1,0,0,1,0|2,0,0]=4 6790 B15R2.1117 Clc1cccc(c1)OCc2cscn2 7a_100000210295_100000205941 [0,1,0,0,1,0|2,0,0]=4 6791 B15R2.1117 Clc1cccc(c1)OCc2ncc[nH]2 34a_100000210295_100016991755 [0,1,0,0,1,0|2,0,0]=4 6792 B15R2.1117 Clc1cccc(c1)OCc2ncc[nH]2 7a_100000210295_100000753453 [0,1,0,0,1,0|2,0,0]=4 6793 B15R2.1117 Clc1cccc(c1)OCc2ncco2 34a_100000210295_103436540062 [0,1,0,0,1,0|2,0,0]=4 6794 B15R2.1117 Clc1cccc(c1)OCc2ncco2 7a_100000210295_103436540062 [0,1,0,0,1,0|2,0,0]=4 6795 B15R2.1117 Clc1cccc(c1)OCc2nccs2 34a_100000210295_100015184050 [0,1,0,0,1,0|2,0,0]=4 6796 B15R2.1117 Clc1cccc(c1)OCc2nccs2 7a_100000210295_100015184050 [0,1,0,0,1,0|2,0,0]=4 6797 B15R2.1117 Clc1cccc(c1)SCc2c[nH]cn2 62a_100000699651_100000707719 [0,1,0,0,1,0|2,0,0]=4 6798 B15R2.1117 Clc1cccc(c1)SCc2c[nH]cn2 62a_100000707719_100000699651 [0,1,0,0,1,0|2,0,0]=4 6799 B15R2.1117 Clc1cccc(c1)SCc2ccn[nH]2 62a_100000699651_100000728653 [0,1,0,0,1,0|2,0,0]=4 6800 B15R2.1117 Clc1cccc(c1)SCc2ccn[nH]2 62a_100000728653_100000699651 [0,1,0,0,1,0|2,0,0]=4 6801 B15R2.1117 Clc1cccc(c1)SCc2ccon2 62a_100000234950_100000699651 [0,1,0,0,1,0|2,0,0]=4 6802 B15R2.1117 Clc1cccc(c1)SCc2ccon2 62a_100000699651_100000234950 [0,1,0,0,1,0|2,0,0]=4 6803 B15R2.1117 Clc1cccc(c1)SCc2ccsc2 62a_100000699651_100011233845 [0,1,0,0,1,0|2,0,0]=4 6804 B15R2.1117 Clc1cccc(c1)SCc2ccsc2 62a_100011261437_100000699651 [0,1,0,0,1,0|2,0,0]=4 6805 B15R2.1117 Clc1cccc(c1)SCc2cncs2 62a_100000699651_100015185245 [0,1,0,0,1,0|2,0,0]=4 6806 B15R2.1117 Clc1cccc(c1)SCc2cncs2 62a_100015185245_100000699651 [0,1,0,0,1,0|2,0,0]=4 6807 B15R2.1117 Clc1cccc(c1)SCc2cscn2 62a_100000205941_100000699651 [0,1,0,0,1,0|2,0,0]=4 6808 B15R2.1117 Clc1cccc(c1)SCc2cscn2 62a_100000699651_100000205941 [0,1,0,0,1,0|2,0,0]=4 6809 B15R2.1117 Clc1cccc(c1)SCc2ncc[nH]2 62a_100000699651_100016991755 [0,1,0,0,1,0|2,0,0]=4 6810 B15R2.1117 Clc1cccc(c1)SCc2ncc[nH]2 62a_100016991755_100000699651 [0,1,0,0,1,0|2,0,0]=4 6811 B15R2.1117 Clc1cccc(c1)SCc2ncco2 62a_100000699651_103436540062 [0,1,0,0,1,0|2,0,0]=4 6812 B15R2.1117 Clc1cccc(c1)SCc2ncco2 62a_103436540062_100000699651 [0,1,0,0,1,0|2,0,0]=4 6813 B15R2.1117 Clc1cccc(c1)SCc2nccs2 62a_100000699651_100015184050 [0,1,0,0,1,0|2,0,0]=4 6814 B15R2.1117 Clc1cccc(c1)SCc2nccs2 62a_100015184050_100000699651 [0,1,0,0,1,0|2,0,0]=4 6815 B15R2.1117 Clc1cncc(c1)COc2ccsc2 34a_100000106738_100016992070 [0,1,0,0,1,0|2,0,0]=4 6816 B15R2.1117 Clc1cncc(c1)COc2ccsc2 7a_100000106738_100016992070 [0,1,0,0,1,0|2,0,0]=4 6817 B15R2.1117 Clc1cncc(c1)CSc2ccco2 62a_100009814098_100016992070 [0,1,0,0,1,0|2,0,0]=4 6818 B15R2.1117 Clc1cncc(c1)CSc2ccco2 62a_100016992070_100009814098 [0,1,0,0,1,0|2,0,0]=4 6819 B15R2.1117 Clc1cncc(c1)CSc2cccs2 62a_100011215356_100016992070 [0,1,0,0,1,0|2,0,0]=4 6820 B15R2.1117 Clc1cncc(c1)CSc2cccs2 62a_100016992070_100011215356 [0,1,0,0,1,0|2,0,0]=4 6821 B15R2.1117 Clc1cncc(c1)CSc2ccoc2 62a_100011215275_100016992070 [0,1,0,0,1,0|2,0,0]=4 6822 B15R2.1117 Clc1cncc(c1)CSc2ccoc2 62a_100016992070_100011215275 [0,1,0,0,1,0|2,0,0]=4 6823 B15R2.1117 Clc1cncc(c1)CSc2ccsc2 62a_100000738268_100016992070 [0,1,0,0,1,0|2,0,0]=4 6824 B15R2.1117 Clc1cncc(c1)CSc2ccsc2 62a_100016992070_100000738268 [0,1,0,0,1,0|2,0,0]=4 6825 B15R2.1117 Fc1cc(ccn1)NCc2c[nH]cn2 27a_100000758547_100009816116 [0,1,0,0,1,0|2,0,0]=4 6826 B15R2.1117 Fc1cc(ccn1)NCc2cc[nH]n2 27a_100000739516_100009816116 [0,1,0,0,1,0|2,0,0]=4 6827 B15R2.1117 Fc1cc(ccn1)NCc2ccco2 27a_100000185738_100009816116 [0,1,0,0,1,0|2,0,0]=4 6828 B15R2.1117 Fc1cc(ccn1)NCc2cccs2 27a_100000211653_100009816116 [0,1,0,0,1,0|2,0,0]=4 6829 B15R2.1117 Fc1cc(ccn1)NCc2ccoc2 27a_100015206860_100009816116 [0,1,0,0,1,0|2,0,0]=4 6830 B15R2.1117 Fc1cc(ccn1)NCc2ccon2 27a_100000688301_100009816116 [0,1,0,0,1,0|2,0,0]=4 6831 B15R2.1117 Fc1cc(ccn1)NCc2ccsc2 27a_100000186416_100009816116 [0,1,0,0,1,0|2,0,0]=4 6832 B15R2.1117 Fc1cc(ccn1)NCc2cn[nH]c2 27a_100000737208_100009816116 [0,1,0,0,1,0|2,0,0]=4 6833 B15R2.1117 Fc1cc(ccn1)NCc2cnco2 27a_100020634212_100009816116 [0,1,0,0,1,0|2,0,0]=4 6834 B15R2.1117 Fc1cc(ccn1)NCc2cncs2 27a_100016987365_100009816116 [0,1,0,0,1,0|2,0,0]=4 6835 B15R2.1117 Fc1cc(ccn1)NCc2cocn2 27a_100015188801_100009816116 [0,1,0,0,1,0|2,0,0]=4 6836 B15R2.1117 Fc1cc(ccn1)NCc2cscn2 27a_100015185402_100009816116 [0,1,0,0,1,0|2,0,0]=4 6837 B15R2.1117 Fc1cc(ccn1)NCc2ncc[nH]2 27a_100000754540_100009816116 [0,1,0,0,1,0|2,0,0]=4 6838 B15R2.1117 Fc1cc(ccn1)NCc2ncco2 27a_100016994969_100009816116 [0,1,0,0,1,0|2,0,0]=4 6839 B15R2.1117 Fc1cc(ccn1)NCc2nccs2 27a_100000740555_100009816116 [0,1,0,0,1,0|2,0,0]=4 6840 B15R2.1117 Fc1cccc(c1)NCc2c[nH]cn2 34a_100000210047_100000707719 [0,1,0,0,1,0|1,0,0]=3 6841 B15R2.1117 Fc1cccc(c1)NCc2cc[nH]n2 207a_100000210047_100000738523 [0,1,0,0,1,0|1,0,0]=3 6842 B15R2.1117 Fc1cccc(c1)NCc2ccco2 207a_100000210047_100000186105 [0,1,0,0,1,0|1,0,0]=3 6843 B15R2.1117 Fc1cccc(c1)NCc2ccco2 270302a_100000210047_100000186105 [0,1,0,0,1,0|1,0,0]=3 6844 B15R2.1117 Fc1cccc(c1)NCc2cccs2 207a_100000210047_100000209959 [0,1,0,0,1,0|1,0,0]=3 6845 B15R2.1117 Fc1cccc(c1)NCc2cccs2 270302a_100000210047_100000209959 [0,1,0,0,1,0|1,0,0]=3 6846 B15R2.1117 Fc1cccc(c1)NCc2ccn[nH]2 34a_100000210047_100000728653 [0,1,0,0,1,0|1,0,0]=3 6847 B15R2.1117 Fc1cccc(c1)NCc2ccoc2 207a_100000210047_100011215517 [0,1,0,0,1,0|1,0,0]=3 6848 B15R2.1117 Fc1cccc(c1)NCc2ccon2 34a_100000210047_100000234950 [0,1,0,0,1,0|1,0,0]=3 6849 B15R2.1117 Fc1cccc(c1)NCc2ccsc2 207a_100000210047_100000188534 [0,1,0,0,1,0|1,0,0]=3 6850 B15R2.1117 Fc1cccc(c1)NCc2ccsc2 270302a_100000210047_100000188534 [0,1,0,0,1,0|1,0,0]=3 6851 B15R2.1117 Fc1cccc(c1)NCc2ccsc2 34a_100000210047_100011261437 [0,1,0,0,1,0|1,0,0]=3 6852 B15R2.1117 Fc1cccc(c1)NCc2cn[nH]c2 207a_100000210047_100016992096 [0,1,0,0,1,0|1,0,0]=3 6853 B15R2.1117 Fc1cccc(c1)NCc2cn[nH]c2 270302a_100000210047_100016992096 [0,1,0,0,1,0|1,0,0]=3 6854 B15R2.1117 Fc1cccc(c1)NCc2cnc[nH]2 207a_100000210047_100000742939 [0,1,0,0,1,0|1,0,0]=3 6855 B15R2.1117 Fc1cccc(c1)NCc2cncs2 207a_100000210047_100000749870 [0,1,0,0,1,0|1,0,0]=3 6856 B15R2.1117 Fc1cccc(c1)NCc2cncs2 270302a_100000210047_100000749870 [0,1,0,0,1,0|1,0,0]=3 6857 B15R2.1117 Fc1cccc(c1)NCc2cncs2 34a_100000210047_100015185245 [0,1,0,0,1,0|1,0,0]=3 6858 B15R2.1117 Fc1cccc(c1)NCc2cscn2 207a_100000210047_100000743575 [0,1,0,0,1,0|1,0,0]=3 6859 B15R2.1117 Fc1cccc(c1)NCc2cscn2 270302a_100000210047_100000743575 [0,1,0,0,1,0|1,0,0]=3 6860 B15R2.1117 Fc1cccc(c1)NCc2cscn2 34a_100000210047_100000205941 [0,1,0,0,1,0|1,0,0]=3 6861 B15R2.1117 Fc1cccc(c1)NCc2ncc[nH]2 207a_100000210047_100000743867 [0,1,0,0,1,0|1,0,0]=3 6862 B15R2.1117 Fc1cccc(c1)NCc2ncc[nH]2 34a_100000210047_100016991755 [0,1,0,0,1,0|1,0,0]=3 6863 B15R2.1117 Fc1cccc(c1)NCc2ncco2 34a_100000210047_103436540062 [0,1,0,0,1,0|1,0,0]=3 6864 B15R2.1117 Fc1cccc(c1)NCc2nccs2 207a_100000210047_100000750902 [0,1,0,0,1,0|1,0,0]=3 6865 B15R2.1117 Fc1cccc(c1)NCc2nccs2 270302a_100000210047_100000750902 [0,1,0,0,1,0|1,0,0]=3 6866 B15R2.1117 Fc1cccc(c1)NCc2nccs2 34a_100000210047_100015184050 [0,1,0,0,1,0|1,0,0]=3 6867 B15R2.1117 Fc1cccc(c1)NCc2ncon2 34a_100000210047_100000233494 [0,1,0,0,1,0|2,0,0]=4 6868 B15R2.1117 Fc1cccc(c1)NCn2cncn2 34a_100000210047_200020645497 [0,1,0,0,1,0|2,0,0]=4 6869 B15R2.1117 Fc1cccc(c1)OCc2c[nH]cn2 34a_100000210426_100000707719 [0,1,0,0,1,0|2,0,0]=4 6870 B15R2.1117 Fc1cccc(c1)OCc2ccn[nH]2 34a_100000210426_100000728653 [0,1,0,0,1,0|2,0,0]=4 6871 B15R2.1117 Fc1cccc(c1)OCc2ccn[nH]2 7a_100000210426_100000728653 [0,1,0,0,1,0|2,0,0]=4 6872 B15R2.1117 Fc1cccc(c1)OCc2ccon2 34a_100000210426_100000234950 [0,1,0,0,1,0|2,0,0]=4 6873 B15R2.1117 Fc1cccc(c1)OCc2ccon2 7a_100000210426_100000234950 [0,1,0,0,1,0|2,0,0]=4 6874 B15R2.1117 Fc1cccc(c1)OCc2ccsc2 34a_100000210426_100011261437 [0,1,0,0,1,0|2,0,0]=4 6875 B15R2.1117 Fc1cccc(c1)OCc2ccsc2 7a_100000210426_100011261437 [0,1,0,0,1,0|2,0,0]=4 6876 B15R2.1117 Fc1cccc(c1)OCc2cncs2 34a_100000210426_100015185245 [0,1,0,0,1,0|2,0,0]=4 6877 B15R2.1117 Fc1cccc(c1)OCc2cncs2 7a_100000210426_100015185245 [0,1,0,0,1,0|2,0,0]=4 6878 B15R2.1117 Fc1cccc(c1)OCc2cscn2 34a_100000210426_100000205941 [0,1,0,0,1,0|2,0,0]=4 6879 B15R2.1117 Fc1cccc(c1)OCc2cscn2 7a_100000210426_100000205941 [0,1,0,0,1,0|2,0,0]=4 6880 B15R2.1117 Fc1cccc(c1)OCc2ncc[nH]2 34a_100000210426_100016991755 [0,1,0,0,1,0|2,0,0]=4 6881 B15R2.1117 Fc1cccc(c1)OCc2ncc[nH]2 7a_100000210426_100000753453 [0,1,0,0,1,0|2,0,0]=4 6882 B15R2.1117 Fc1cccc(c1)OCc2ncco2 34a_100000210426_103436540062 [0,1,0,0,1,0|2,0,0]=4 6883 B15R2.1117 Fc1cccc(c1)OCc2ncco2 7a_100000210426_103436540062 [0,1,0,0,1,0|2,0,0]=4 6884 B15R2.1117 Fc1cccc(c1)OCc2nccs2 34a_100000210426_100015184050 [0,1,0,0,1,0|2,0,0]=4 6885 B15R2.1117 Fc1cccc(c1)OCc2nccs2 7a_100000210426_100015184050 [0,1,0,0,1,0|2,0,0]=4 6886 B15R2.1117 Fc1cccc(c1)SCc2c[nH]cn2 62a_100000685547_100000707719 [0,1,0,0,1,0|2,0,0]=4 6887 B15R2.1117 Fc1cccc(c1)SCc2c[nH]cn2 62a_100000707719_100000685547 [0,1,0,0,1,0|2,0,0]=4 6888 B15R2.1117 Fc1cccc(c1)SCc2ccn[nH]2 62a_100000685547_100000728653 [0,1,0,0,1,0|2,0,0]=4 6889 B15R2.1117 Fc1cccc(c1)SCc2ccn[nH]2 62a_100000728653_100000685547 [0,1,0,0,1,0|2,0,0]=4 6890 B15R2.1117 Fc1cccc(c1)SCc2ccon2 62a_100000234950_100000685547 [0,1,0,0,1,0|2,0,0]=4 6891 B15R2.1117 Fc1cccc(c1)SCc2ccon2 62a_100000685547_100000234950 [0,1,0,0,1,0|2,0,0]=4 6892 B15R2.1117 Fc1cccc(c1)SCc2ccsc2 62a_100000685547_100011233845 [0,1,0,0,1,0|2,0,0]=4 6893 B15R2.1117 Fc1cccc(c1)SCc2ccsc2 62a_100011261437_100000685547 [0,1,0,0,1,0|2,0,0]=4 6894 B15R2.1117 Fc1cccc(c1)SCc2cncs2 62a_100000685547_100015185245 [0,1,0,0,1,0|2,0,0]=4 6895 B15R2.1117 Fc1cccc(c1)SCc2cncs2 62a_100015185245_100000685547 [0,1,0,0,1,0|2,0,0]=4 6896 B15R2.1117 Fc1cccc(c1)SCc2cscn2 62a_100000205941_100000685547 [0,1,0,0,1,0|2,0,0]=4 6897 B15R2.1117 Fc1cccc(c1)SCc2cscn2 62a_100000685547_100000205941 [0,1,0,0,1,0|2,0,0]=4 6898 B15R2.1117 Fc1cccc(c1)SCc2ncc[nH]2 62a_100000685547_100016991755 [0,1,0,0,1,0|2,0,0]=4 6899 B15R2.1117 Fc1cccc(c1)SCc2ncc[nH]2 62a_100016991755_100000685547 [0,1,0,0,1,0|2,0,0]=4 6900 B15R2.1117 Fc1cccc(c1)SCc2ncco2 62a_100000685547_103436540062 [0,1,0,0,1,0|2,0,0]=4 6901 B15R2.1117 Fc1cccc(c1)SCc2ncco2 62a_103436540062_100000685547 [0,1,0,0,1,0|2,0,0]=4 6902 B15R2.1117 Fc1cccc(c1)SCc2nccs2 62a_100000685547_100015184050 [0,1,0,0,1,0|2,0,0]=4 6903 B15R2.1117 Fc1cccc(c1)SCc2nccs2 62a_100015184050_100000685547 [0,1,0,0,1,0|2,0,0]=4 6904 B15R2.1117 Fc1cccc(n1)NCc2c[nH]cn2 27a_100000758547_100009815982 [0,1,0,0,1,0|2,0,0]=4 6905 B15R2.1117 Fc1cccc(n1)NCc2cc[nH]n2 27a_100000739516_100009815982 [0,1,0,0,1,0|2,0,0]=4 6906 B15R2.1117 Fc1cccc(n1)NCc2ccco2 27a_100000185738_100009815982 [0,1,0,0,1,0|2,0,0]=4 6907 B15R2.1117 Fc1cccc(n1)NCc2cccs2 27a_100000211653_100009815982 [0,1,0,0,1,0|2,0,0]=4 6908 B15R2.1117 Fc1cccc(n1)NCc2ccoc2 27a_100015206860_100009815982 [0,1,0,0,1,0|2,0,0]=4 6909 B15R2.1117 Fc1cccc(n1)NCc2ccon2 27a_100000688301_100009815982 [0,1,0,0,1,0|2,0,0]=4 6910 B15R2.1117 Fc1cccc(n1)NCc2ccsc2 27a_100000186416_100009815982 [0,1,0,0,1,0|2,0,0]=4 6911 B15R2.1117 Fc1cccc(n1)NCc2cn[nH]c2 27a_100000737208_100009815982 [0,1,0,0,1,0|2,0,0]=4 6912 B15R2.1117 Fc1cccc(n1)NCc2cnco2 27a_100020634212_100009815982 [0,1,0,0,1,0|2,0,0]=4 6913 B15R2.1117 Fc1cccc(n1)NCc2cncs2 27a_100016987365_100009815982 [0,1,0,0,1,0|2,0,0]=4 6914 B15R2.1117 Fc1cccc(n1)NCc2cocn2 27a_100015188801_100009815982 [0,1,0,0,1,0|2,0,0]=4 6915 B15R2.1117 Fc1cccc(n1)NCc2cscn2 27a_100015185402_100009815982 [0,1,0,0,1,0|2,0,0]=4 6916 B15R2.1117 Fc1cccc(n1)NCc2ncc[nH]2 27a_100000754540_100009815982 [0,1,0,0,1,0|2,0,0]=4 6917 B15R2.1117 Fc1cccc(n1)NCc2ncco2 27a_100016994969_100009815982 [0,1,0,0,1,0|2,0,0]=4 6918 B15R2.1117 Fc1cccc(n1)NCc2nccs2 27a_100000740555_100009815982 [0,1,0,0,1,0|2,0,0]=4 6919 B15R2.1117 Fc1ccnc(c1)NCc2c[nH]cn2 27a_100000758547_100000764206 [0,1,0,0,1,0|2,0,0]=4 6920 B15R2.1117 Fc1ccnc(c1)NCc2cc[nH]n2 27a_100000739516_100000764206 [0,1,0,0,1,0|2,0,0]=4 6921 B15R2.1117 Fc1ccnc(c1)NCc2ccco2 27a_100000185738_100000764206 [0,1,0,0,1,0|2,0,0]=4 6922 B15R2.1117 Fc1ccnc(c1)NCc2cccs2 27a_100000211653_100000764206 [0,1,0,0,1,0|2,0,0]=4 6923 B15R2.1117 Fc1ccnc(c1)NCc2ccoc2 27a_100015206860_100000764206 [0,1,0,0,1,0|2,0,0]=4 6924 B15R2.1117 Fc1ccnc(c1)NCc2ccon2 27a_100000688301_100000764206 [0,1,0,0,1,0|2,0,0]=4 6925 B15R2.1117 Fc1ccnc(c1)NCc2ccsc2 27a_100000186416_100000764206 [0,1,0,0,1,0|2,0,0]=4 6926 B15R2.1117 Fc1ccnc(c1)NCc2cn[nH]c2 27a_100000737208_100000764206 [0,1,0,0,1,0|2,0,0]=4 6927 B15R2.1117 Fc1ccnc(c1)NCc2cnco2 27a_100020634212_100000764206 [0,1,0,0,1,0|2,0,0]=4 6928 B15R2.1117 Fc1ccnc(c1)NCc2cncs2 27a_100016987365_100000764206 [0,1,0,0,1,0|2,0,0]=4 6929 B15R2.1117 Fc1ccnc(c1)NCc2cocn2 27a_100015188801_100000764206 [0,1,0,0,1,0|2,0,0]=4 6930 B15R2.1117 Fc1ccnc(c1)NCc2cscn2 27a_100015185402_100000764206 [0,1,0,0,1,0|2,0,0]=4 6931 B15R2.1117 Fc1ccnc(c1)NCc2ncc[nH]2 27a_100000754540_100000764206 [0,1,0,0,1,0|2,0,0]=4 6932 B15R2.1117 Fc1ccnc(c1)NCc2ncco2 27a_100016994969_100000764206 [0,1,0,0,1,0|2,0,0]=4 6933 B15R2.1117 Fc1ccnc(c1)NCc2nccs2 27a_100000740555_100000764206 [0,1,0,0,1,0|2,0,0]=4 6934 B15R2.1117 Fc1cncc(c1)COc2ccsc2 34a_100000106738_100000725299 [0,1,0,0,1,0|2,0,0]=4 6935 B15R2.1117 Fc1cncc(c1)COc2ccsc2 7a_100000106738_100000725299 [0,1,0,0,1,0|2,0,0]=4 6936 B15R2.1117 Fc1cncc(c1)CSc2ccco2 62a_100000725299_100009814098 [0,1,0,0,1,0|2,0,0]=4 6937 B15R2.1117 Fc1cncc(c1)CSc2ccco2 62a_100009814098_100000725299 [0,1,0,0,1,0|2,0,0]=4 6938 B15R2.1117 Fc1cncc(c1)CSc2cccs2 62a_100000725299_100011215356 [0,1,0,0,1,0|2,0,0]=4 6939 B15R2.1117 Fc1cncc(c1)CSc2cccs2 62a_100011215356_100000725299 [0,1,0,0,1,0|2,0,0]=4 6940 B15R2.1117 Fc1cncc(c1)CSc2ccoc2 62a_100000725299_100011215275 [0,1,0,0,1,0|2,0,0]=4 6941 B15R2.1117 Fc1cncc(c1)CSc2ccoc2 62a_100011215275_100000725299 [0,1,0,0,1,0|2,0,0]=4 6942 B15R2.1117 Fc1cncc(c1)CSc2ccsc2 62a_100000725299_100000738268 [0,1,0,0,1,0|2,0,0]=4 6943 B15R2.1117 Fc1cncc(c1)CSc2ccsc2 62a_100000738268_100000725299 [0,1,0,0,1,0|2,0,0]=4 6944 B15R2.1117 Ic1cccc(c1)NCc2c[nH]cn2 34a_100000211102_100000707719 [0,1,0,0,1,0|1,0,0]=3 6945 B15R2.1117 Ic1cccc(c1)NCc2cc[nH]n2 207a_100000211102_100000738523 [0,1,0,0,1,0|1,0,0]=3 6946 B15R2.1117 Ic1cccc(c1)NCc2ccco2 207a_100000211102_100000186105 [0,1,0,0,1,0|1,0,0]=3 6947 B15R2.1117 Ic1cccc(c1)NCc2ccco2 270302a_100000211102_100000186105 [0,1,0,0,1,0|1,0,0]=3 6948 B15R2.1117 Ic1cccc(c1)NCc2cccs2 207a_100000211102_100000209959 [0,1,0,0,1,0|1,0,0]=3 6949 B15R2.1117 Ic1cccc(c1)NCc2cccs2 270302a_100000211102_100000209959 [0,1,0,0,1,0|1,0,0]=3 6950 B15R2.1117 Ic1cccc(c1)NCc2ccn[nH]2 34a_100000211102_100000728653 [0,1,0,0,1,0|1,0,0]=3 6951 B15R2.1117 Ic1cccc(c1)NCc2ccoc2 207a_100000211102_100011215517 [0,1,0,0,1,0|1,0,0]=3 6952 B15R2.1117 Ic1cccc(c1)NCc2ccon2 34a_100000211102_100000234950 [0,1,0,0,1,0|1,0,0]=3 6953 B15R2.1117 Ic1cccc(c1)NCc2ccsc2 207a_100000211102_100000188534 [0,1,0,0,1,0|1,0,0]=3 6954 B15R2.1117 Ic1cccc(c1)NCc2ccsc2 270302a_100000211102_100000188534 [0,1,0,0,1,0|1,0,0]=3 6955 B15R2.1117 Ic1cccc(c1)NCc2ccsc2 34a_100000211102_100011261437 [0,1,0,0,1,0|1,0,0]=3 6956 B15R2.1117 Ic1cccc(c1)NCc2cn[nH]c2 207a_100000211102_100016992096 [0,1,0,0,1,0|1,0,0]=3 6957 B15R2.1117 Ic1cccc(c1)NCc2cn[nH]c2 270302a_100000211102_100016992096 [0,1,0,0,1,0|1,0,0]=3 6958 B15R2.1117 Ic1cccc(c1)NCc2cnc[nH]2 207a_100000211102_100000742939 [0,1,0,0,1,0|1,0,0]=3 6959 B15R2.1117 Ic1cccc(c1)NCc2cncs2 207a_100000211102_100000749870 [0,1,0,0,1,0|1,0,0]=3 6960 B15R2.1117 Ic1cccc(c1)NCc2cncs2 270302a_100000211102_100000749870 [0,1,0,0,1,0|1,0,0]=3 6961 B15R2.1117 Ic1cccc(c1)NCc2cncs2 34a_100000211102_100015185245 [0,1,0,0,1,0|1,0,0]=3 6962 B15R2.1117 Ic1cccc(c1)NCc2cscn2 207a_100000211102_100000743575 [0,1,0,0,1,0|1,0,0]=3 6963 B15R2.1117 Ic1cccc(c1)NCc2cscn2 270302a_100000211102_100000743575 [0,1,0,0,1,0|1,0,0]=3 6964 B15R2.1117 Ic1cccc(c1)NCc2cscn2 34a_100000211102_100000205941 [0,1,0,0,1,0|1,0,0]=3 6965 B15R2.1117 Ic1cccc(c1)NCc2ncc[nH]2 207a_100000211102_100000743867 [0,1,0,0,1,0|1,0,0]=3 6966 B15R2.1117 Ic1cccc(c1)NCc2ncc[nH]2 34a_100000211102_100016991755 [0,1,0,0,1,0|1,0,0]=3 6967 B15R2.1117 Ic1cccc(c1)NCc2ncco2 34a_100000211102_103436540062 [0,1,0,0,1,0|1,0,0]=3 6968 B15R2.1117 Ic1cccc(c1)NCc2nccs2 207a_100000211102_100000750902 [0,1,0,0,1,0|1,0,0]=3 6969 B15R2.1117 Ic1cccc(c1)NCc2nccs2 270302a_100000211102_100000750902 [0,1,0,0,1,0|1,0,0]=3 6970 B15R2.1117 Ic1cccc(c1)NCc2nccs2 34a_100000211102_100015184050 [0,1,0,0,1,0|1,0,0]=3 6971 B15R2.1117 Ic1cccc(c1)NCc2ncon2 34a_100000211102_100000233494 [0,1,0,0,1,0|2,0,0]=4 6972 B15R2.1117 Ic1cccc(c1)NCn2cncn2 34a_100000211102_200020645497 [0,1,0,0,1,0|2,0,0]=4 6973 B15R2.1117 Ic1cccc(c1)OCc2c[nH]cn2 34a_100000211634_100000707719 [0,1,0,0,1,0|2,0,0]=4 6974 B15R2.1117 Ic1cccc(c1)OCc2ccn[nH]2 34a_100000211634_100000728653 [0,1,0,0,1,0|2,0,0]=4 6975 B15R2.1117 Ic1cccc(c1)OCc2ccn[nH]2 7a_100000211634_100000728653 [0,1,0,0,1,0|2,0,0]=4 6976 B15R2.1117 Ic1cccc(c1)OCc2ccon2 34a_100000211634_100000234950 [0,1,0,0,1,0|2,0,0]=4 6977 B15R2.1117 Ic1cccc(c1)OCc2ccon2 7a_100000211634_100000234950 [0,1,0,0,1,0|2,0,0]=4 6978 B15R2.1117 Ic1cccc(c1)OCc2ccsc2 34a_100000211634_100011261437 [0,1,0,0,1,0|2,0,0]=4 6979 B15R2.1117 Ic1cccc(c1)OCc2ccsc2 7a_100000211634_100011261437 [0,1,0,0,1,0|2,0,0]=4 6980 B15R2.1117 Ic1cccc(c1)OCc2cncs2 34a_100000211634_100015185245 [0,1,0,0,1,0|2,0,0]=4 6981 B15R2.1117 Ic1cccc(c1)OCc2cncs2 7a_100000211634_100015185245 [0,1,0,0,1,0|2,0,0]=4 6982 B15R2.1117 Ic1cccc(c1)OCc2cscn2 34a_100000211634_100000205941 [0,1,0,0,1,0|2,0,0]=4 6983 B15R2.1117 Ic1cccc(c1)OCc2cscn2 7a_100000211634_100000205941 [0,1,0,0,1,0|2,0,0]=4 6984 B15R2.1117 Ic1cccc(c1)OCc2ncc[nH]2 34a_100000211634_100016991755 [0,1,0,0,1,0|2,0,0]=4 6985 B15R2.1117 Ic1cccc(c1)OCc2ncc[nH]2 7a_100000211634_100000753453 [0,1,0,0,1,0|2,0,0]=4 6986 B15R2.1117 Ic1cccc(c1)OCc2ncco2 34a_100000211634_103436540062 [0,1,0,0,1,0|2,0,0]=4 6987 B15R2.1117 Ic1cccc(c1)OCc2ncco2 7a_100000211634_103436540062 [0,1,0,0,1,0|2,0,0]=4 6988 B15R2.1117 Ic1cccc(c1)OCc2nccs2 34a_100000211634_100015184050 [0,1,0,0,1,0|2,0,0]=4 6989 B15R2.1117 Ic1cccc(c1)OCc2nccs2 7a_100000211634_100015184050 [0,1,0,0,1,0|2,0,0]=4 6990 B15R2.1117 Nc1cccc(c1)OCc2c[nH]cn2 34a_100000210217_100000707719 [0,1,0,0,1,0|2,0,0]=4 6991 B15R2.1117 Nc1cccc(c1)OCc2ccn[nH]2 34a_100000210217_100000728653 [0,1,0,0,1,0|2,0,0]=4 6992 B15R2.1117 Nc1cccc(c1)OCc2ccon2 34a_100000210217_100000234950 [0,1,0,0,1,0|2,0,0]=4 6993 B15R2.1117 Nc1cccc(c1)OCc2ccsc2 34a_100000210217_100011261437 [0,1,0,0,1,0|2,0,0]=4 6994 B15R2.1117 Nc1cccc(c1)OCc2cncs2 34a_100000210217_100015185245 [0,1,0,0,1,0|2,0,0]=4 6995 B15R2.1117 Nc1cccc(c1)OCc2cscn2 34a_100000210217_100000205941 [0,1,0,0,1,0|2,0,0]=4 6996 B15R2.1117 Nc1cccc(c1)OCc2ncc[nH]2 34a_100000210217_100016991755 [0,1,0,0,1,0|2,0,0]=4 6997 B15R2.1117 Nc1cccc(c1)OCc2ncco2 34a_100000210217_103436540062 [0,1,0,0,1,0|2,0,0]=4 6998 B15R2.1117 Nc1cccc(c1)OCc2nccs2 34a_100000210217_100015184050 [0,1,0,0,1,0|2,0,0]=4 6999 B15R2.1117 Nc1cccc(c1)SCc2c[nH]cn2 62a_100000210019_100000707719 [0,1,0,0,1,0|2,0,0]=4 7000 B15R2.1117 Nc1cccc(c1)SCc2c[nH]cn2 62a_100000707719_100000210019 [0,1,0,0,1,0|2,0,0]=4 7001 B15R2.1117 Nc1cccc(c1)SCc2ccn[nH]2 62a_100000210019_100000728653 [0,1,0,0,1,0|2,0,0]=4 7002 B15R2.1117 Nc1cccc(c1)SCc2ccn[nH]2 62a_100000728653_100000210019 [0,1,0,0,1,0|2,0,0]=4 7003 B15R2.1117 Nc1cccc(c1)SCc2ccon2 62a_100000210019_100000234950 [0,1,0,0,1,0|2,0,0]=4 7004 B15R2.1117 Nc1cccc(c1)SCc2ccon2 62a_100000234950_100000210019 [0,1,0,0,1,0|2,0,0]=4 7005 B15R2.1117 Nc1cccc(c1)SCc2ccsc2 62a_100000210019_100011233845 [0,1,0,0,1,0|2,0,0]=4 7006 B15R2.1117 Nc1cccc(c1)SCc2ccsc2 62a_100011261437_100000210019 [0,1,0,0,1,0|2,0,0]=4 7007 B15R2.1117 Nc1cccc(c1)SCc2cncs2 62a_100000210019_100015185245 [0,1,0,0,1,0|2,0,0]=4 7008 B15R2.1117 Nc1cccc(c1)SCc2cncs2 62a_100015185245_100000210019 [0,1,0,0,1,0|2,0,0]=4 7009 B15R2.1117 Nc1cccc(c1)SCc2cscn2 62a_100000205941_100000210019 [0,1,0,0,1,0|2,0,0]=4 7010 B15R2.1117 Nc1cccc(c1)SCc2cscn2 62a_100000210019_100000205941 [0,1,0,0,1,0|2,0,0]=4 7011 B15R2.1117 Nc1cccc(c1)SCc2ncc[nH]2 62a_100000210019_100016991755 [0,1,0,0,1,0|2,0,0]=4 7012 B15R2.1117 Nc1cccc(c1)SCc2ncc[nH]2 62a_100016991755_100000210019 [0,1,0,0,1,0|2,0,0]=4 7013 B15R2.1117 Nc1cccc(c1)SCc2ncco2 62a_100000210019_103436540062 [0,1,0,0,1,0|2,0,0]=4 7014 B15R2.1117 Nc1cccc(c1)SCc2ncco2 62a_103436540062_100000210019 [0,1,0,0,1,0|2,0,0]=4 7015 B15R2.1117 Nc1cccc(c1)SCc2nccs2 62a_100000210019_100015184050 [0,1,0,0,1,0|2,0,0]=4 7016 B15R2.1117 Nc1cccc(c1)SCc2nccs2 62a_100015184050_100000210019 [0,1,0,0,1,0|2,0,0]=4 7017 B15R2.1117 O=c1cc(cc[nH]1)NCc2c[nH]cn2 27a_100000758547_100000061649 [0,1,0,0,1,0|2,0,0]=4 7018 B15R2.1117 O=c1cc(cc[nH]1)NCc2cc[nH]n2 27a_100000739516_100000061649 [0,1,0,0,1,0|2,0,0]=4 7019 B15R2.1117 O=c1cc(cc[nH]1)NCc2ccco2 27a_100000185738_100000061649 [0,1,0,0,1,0|2,0,0]=4 7020 B15R2.1117 O=c1cc(cc[nH]1)NCc2cccs2 27a_100000211653_100000061649 [0,1,0,0,1,0|2,0,0]=4 7021 B15R2.1117 O=c1cc(cc[nH]1)NCc2ccoc2 27a_100015206860_100000061649 [0,1,0,0,1,0|2,0,0]=4 7022 B15R2.1117 O=c1cc(cc[nH]1)NCc2ccon2 27a_100000688301_100000061649 [0,1,0,0,1,0|2,0,0]=4 7023 B15R2.1117 O=c1cc(cc[nH]1)NCc2ccsc2 27a_100000186416_100000061649 [0,1,0,0,1,0|2,0,0]=4 7024 B15R2.1117 O=c1cc(cc[nH]1)NCc2cn[nH]c2 27a_100000737208_100000061649 [0,1,0,0,1,0|2,0,0]=4 7025 B15R2.1117 O=c1cc(cc[nH]1)NCc2cnco2 27a_100020634212_100000061649 [0,1,0,0,1,0|2,0,0]=4 7026 B15R2.1117 O=c1cc(cc[nH]1)NCc2cncs2 27a_100016987365_100000061649 [0,1,0,0,1,0|2,0,0]=4 7027 B15R2.1117 O=c1cc(cc[nH]1)NCc2cocn2 27a_100015188801_100000061649 [0,1,0,0,1,0|2,0,0]=4 7028 B15R2.1117 O=c1cc(cc[nH]1)NCc2cscn2 27a_100015185402_100000061649 [0,1,0,0,1,0|2,0,0]=4 7029 B15R2.1117 O=c1cc(cc[nH]1)NCc2ncc[nH]2 27a_100000754540_100000061649 [0,1,0,0,1,0|2,0,0]=4 7030 B15R2.1117 O=c1cc(cc[nH]1)NCc2ncco2 27a_100016994969_100000061649 [0,1,0,0,1,0|2,0,0]=4 7031 B15R2.1117 O=c1cc(cc[nH]1)NCc2nccs2 27a_100000740555_100000061649 [0,1,0,0,1,0|2,0,0]=4 7032 B15R2.1117 Oc1cccc(c1)NCc2c[nH]cn2 34a_100000210217_100000707719 [0,1,0,0,1,0|1,0,0]=3 7033 B15R2.1117 Oc1cccc(c1)NCc2ccco2 270302a_100000210217_100000186105 [0,1,0,0,1,0|1,0,0]=3 7034 B15R2.1117 Oc1cccc(c1)NCc2cccs2 270302a_100000210217_100000209959 [0,1,0,0,1,0|1,0,0]=3 7035 B15R2.1117 Oc1cccc(c1)NCc2ccn[nH]2 34a_100000210217_100000728653 [0,1,0,0,1,0|1,0,0]=3 7036 B15R2.1117 Oc1cccc(c1)NCc2ccon2 34a_100000210217_100000234950 [0,1,0,0,1,0|1,0,0]=3 7037 B15R2.1117 Oc1cccc(c1)NCc2ccsc2 270302a_100000210217_100000188534 [0,1,0,0,1,0|1,0,0]=3 7038 B15R2.1117 Oc1cccc(c1)NCc2ccsc2 34a_100000210217_100011261437 [0,1,0,0,1,0|1,0,0]=3 7039 B15R2.1117 Oc1cccc(c1)NCc2cn[nH]c2 270302a_100000210217_100016992096 [0,1,0,0,1,0|1,0,0]=3 7040 B15R2.1117 Oc1cccc(c1)NCc2cncs2 270302a_100000210217_100000749870 [0,1,0,0,1,0|1,0,0]=3 7041 B15R2.1117 Oc1cccc(c1)NCc2cncs2 34a_100000210217_100015185245 [0,1,0,0,1,0|1,0,0]=3 7042 B15R2.1117 Oc1cccc(c1)NCc2cscn2 270302a_100000210217_100000743575 [0,1,0,0,1,0|1,0,0]=3 7043 B15R2.1117 Oc1cccc(c1)NCc2cscn2 34a_100000210217_100000205941 [0,1,0,0,1,0|1,0,0]=3 7044 B15R2.1117 Oc1cccc(c1)NCc2ncc[nH]2 34a_100000210217_100016991755 [0,1,0,0,1,0|1,0,0]=3 7045 B15R2.1117 Oc1cccc(c1)NCc2ncco2 34a_100000210217_103436540062 [0,1,0,0,1,0|1,0,0]=3 7046 B15R2.1117 Oc1cccc(c1)NCc2nccs2 270302a_100000210217_100000750902 [0,1,0,0,1,0|1,0,0]=3 7047 B15R2.1117 Oc1cccc(c1)NCc2nccs2 34a_100000210217_100015184050 [0,1,0,0,1,0|1,0,0]=3 7048 B15R2.1117 Oc1cccc(c1)NCc2ncon2 34a_100000210217_100000233494 [0,1,0,0,1,0|2,0,0]=4 7049 B15R2.1117 Oc1cccc(c1)NCn2cncn2 34a_100000210217_200020645497 [0,1,0,0,1,0|2,0,0]=4 7050 B15R2.1117 Oc1cccc(c1)SCc2c[nH]cn2 62a_100000707719_100000211634 [0,1,0,0,1,0|2,0,0]=4 7051 B15R2.1117 Oc1cccc(c1)SCc2ccn[nH]2 62a_100000728653_100000211634 [0,1,0,0,1,0|2,0,0]=4 7052 B15R2.1117 Oc1cccc(c1)SCc2ccon2 62a_100000234950_100000211634 [0,1,0,0,1,0|2,0,0]=4 7053 B15R2.1117 Oc1cccc(c1)SCc2ccsc2 62a_100011261437_100000211634 [0,1,0,0,1,0|2,0,0]=4 7054 B15R2.1117 Oc1cccc(c1)SCc2cncs2 62a_100015185245_100000211634 [0,1,0,0,1,0|2,0,0]=4 7055 B15R2.1117 Oc1cccc(c1)SCc2cscn2 62a_100000205941_100000211634 [0,1,0,0,1,0|2,0,0]=4 7056 B15R2.1117 Oc1cccc(c1)SCc2ncc[nH]2 62a_100016991755_100000211634 [0,1,0,0,1,0|2,0,0]=4 7057 B15R2.1117 Oc1cccc(c1)SCc2ncco2 62a_103436540062_100000211634 [0,1,0,0,1,0|2,0,0]=4 7058 B15R2.1117 Oc1cccc(c1)SCc2nccs2 62a_100015184050_100000211634 [0,1,0,0,1,0|2,0,0]=4 7059 B15R2.1117 [S]c1cccc(c1)SCc2c[nH]cn2 62a_100000707719_114929384022 [0,1,0,0,1,0|2,0,0]=4 7060 B15R2.1117 [S]c1cccc(c1)SCc2c[nH]cn2 62a_114929384022_100000707719 [0,1,0,0,1,0|2,0,0]=4 7061 B15R2.1117 [S]c1cccc(c1)SCc2ccn[nH]2 62a_100000728653_114929384022 [0,1,0,0,1,0|2,0,0]=4 7062 B15R2.1117 [S]c1cccc(c1)SCc2ccn[nH]2 62a_114929384022_100000728653 [0,1,0,0,1,0|2,0,0]=4 7063 B15R2.1117 [S]c1cccc(c1)SCc2ccon2 62a_100000234950_114929384022 [0,1,0,0,1,0|2,0,0]=4 7064 B15R2.1117 [S]c1cccc(c1)SCc2ccon2 62a_114929384022_100000234950 [0,1,0,0,1,0|2,0,0]=4 7065 B15R2.1117 [S]c1cccc(c1)SCc2ccsc2 62a_100011261437_114929384022 [0,1,0,0,1,0|2,0,0]=4 7066 B15R2.1117 [S]c1cccc(c1)SCc2ccsc2 62a_114929384022_100011233845 [0,1,0,0,1,0|2,0,0]=4 7067 B15R2.1117 [S]c1cccc(c1)SCc2cncs2 62a_100015185245_114929384022 [0,1,0,0,1,0|2,0,0]=4 7068 B15R2.1117 [S]c1cccc(c1)SCc2cncs2 62a_114929384022_100015185245 [0,1,0,0,1,0|2,0,0]=4 7069 B15R2.1117 [S]c1cccc(c1)SCc2cscn2 62a_100000205941_114929384022 [0,1,0,0,1,0|2,0,0]=4 7070 B15R2.1117 [S]c1cccc(c1)SCc2cscn2 62a_114929384022_100000205941 [0,1,0,0,1,0|2,0,0]=4 7071 B15R2.1117 [S]c1cccc(c1)SCc2ncc[nH]2 62a_100016991755_114929384022 [0,1,0,0,1,0|2,0,0]=4 7072 B15R2.1117 [S]c1cccc(c1)SCc2ncc[nH]2 62a_114929384022_100016991755 [0,1,0,0,1,0|2,0,0]=4 7073 B15R2.1117 [S]c1cccc(c1)SCc2ncco2 62a_103436540062_114929384022 [0,1,0,0,1,0|2,0,0]=4 7074 B15R2.1117 [S]c1cccc(c1)SCc2ncco2 62a_114929384022_103436540062 [0,1,0,0,1,0|2,0,0]=4 7075 B15R2.1117 [S]c1cccc(c1)SCc2nccs2 62a_100015184050_114929384022 [0,1,0,0,1,0|2,0,0]=4 7076 B15R2.1117 [S]c1cccc(c1)SCc2nccs2 62a_114929384022_100015184050 [0,1,0,0,1,0|2,0,0]=4 7077 B15R2.1259 CC(Cc1c[nH]cn1)c2ccccc2 271570a_100000062452_100000756875 [0,1,0,0,1,0|2,0,0]=4 7078 B15R2.1259 CC(Cc1cc[nH]n1)c2ccccc2 271570a_100000062452_100000062575 [0,1,0,0,1,0|2,0,0]=4 7079 B15R2.1259 CC(Cc1ccco1)c2ccccc2 271570a_100000062452_100009814098 [0,1,0,0,1,0|2,0,0]=4 7080 B15R2.1259 CC(Cc1cccs1)c2ccccc2 271570a_100000062452_100011215356 [0,1,0,0,1,0|2,0,0]=4 7081 B15R2.1259 CC(Cc1ccoc1)c2ccccc2 271570a_100000062452_100011215275 [0,1,0,0,1,0|2,0,0]=4 7082 B15R2.1259 CC(Cc1ccsc1)c2ccccc2 271570a_100000062452_100000738268 [0,1,0,0,1,0|2,0,0]=4 7083 B15R2.1259 CC(Cc1ccsn1)c2ccccc2 271570a_100000062452_100009818082 [0,1,0,0,1,0|2,0,0]=4 7084 B15R2.1259 CC(Cc1cn[nH]c1)c2ccccc2 271570a_100000062452_100000238712 [0,1,0,0,1,0|2,0,0]=4 7085 B15R2.1259 CC(Cc1cnco1)c2ccccc2 271570a_100000062452_100020591547 [0,1,0,0,1,0|2,0,0]=4 7086 B15R2.1259 CC(Cc1cncs1)c2ccccc2 271570a_100000062452_100011934649 [0,1,0,0,1,0|2,0,0]=4 7087 B15R2.1259 CC(Cc1cnoc1)c2ccccc2 271570a_100000062452_100009815712 [0,1,0,0,1,0|2,0,0]=4 7088 B15R2.1259 CC(Cc1cnsc1)c2ccccc2 271570a_100000062452_100009815736 [0,1,0,0,1,0|2,0,0]=4 7089 B15R2.1259 CC(Cc1cscn1)c2ccccc2 271570a_100000062452_100000751502 [0,1,0,0,1,0|2,0,0]=4 7090 B15R2.1259 CC(Cc1ncc[nH]1)c2ccccc2 271570a_100000062452_100025796157 [0,1,0,0,1,0|2,0,0]=4 7091 B15R2.1259 CC(Cc1ncco1)c2ccccc2 271570a_100000062452_100011787736 [0,1,0,0,1,0|2,0,0]=4 7092 B15R2.1259 CC(Cc1nccs1)c2ccccc2 271570a_100000062452_100000211983 [0,1,0,0,1,0|2,0,0]=4 7093 B15R2.1259 CN(Cc1c[nH]cn1)c2ccccc2 2230a_100000210012_100000707719 [0,1,0,0,1,0|1,0,0]=3 7094 B15R2.1259 CN(Cc1c[nH]cn1)c2ccccc2 269982a_100000210012_100000707719 [0,1,0,0,1,0|1,0,0]=3 7095 B15R2.1259 CN(Cc1c[nH]cn1)c2ccccc2 34a_100000210012_100000707719 [0,1,0,0,1,0|1,0,0]=3 7096 B15R2.1259 CN(Cc1ccco1)c2ccccc2 2230a_100000230375_200000210301 [0,1,0,0,1,0|1,0,0]=3 7097 B15R2.1259 CN(Cc1ccco1)c2ccccc2 269982a_100000230375_200000210301 [0,1,0,0,1,0|1,0,0]=3 7098 B15R2.1259 CN(Cc1ccco1)c2ccccc2 34a_100000230375_200000210301 [0,1,0,0,1,0|1,0,0]=3 7099 B15R2.1259 CN(Cc1ccn[nH]1)c2ccccc2 2230a_100000210012_100000728653 [0,1,0,0,1,0|1,0,0]=3 7100 B15R2.1259 CN(Cc1ccn[nH]1)c2ccccc2 269982a_100000210012_100000728653 [0,1,0,0,1,0|1,0,0]=3 7101 B15R2.1259 CN(Cc1ccn[nH]1)c2ccccc2 34a_100000210012_100000728653 [0,1,0,0,1,0|1,0,0]=3 7102 B15R2.1259 CN(Cc1ccon1)c2ccccc2 2230a_100000210012_100000234950 [0,1,0,0,1,0|1,0,0]=3 7103 B15R2.1259 CN(Cc1ccon1)c2ccccc2 269982a_100000210012_100000234950 [0,1,0,0,1,0|1,0,0]=3 7104 B15R2.1259 CN(Cc1ccon1)c2ccccc2 34a_100000210012_100000234950 [0,1,0,0,1,0|1,0,0]=3 7105 B15R2.1259 CN(Cc1ccsc1)c2ccccc2 2230a_100000210012_100011261437 [0,1,0,0,1,0|1,0,0]=3 7106 B15R2.1259 CN(Cc1ccsc1)c2ccccc2 269982a_100000210012_100011233845 [0,1,0,0,1,0|1,0,0]=3 7107 B15R2.1259 CN(Cc1ccsc1)c2ccccc2 34a_100000210012_100011261437 [0,1,0,0,1,0|1,0,0]=3 7108 B15R2.1259 CN(Cc1cncs1)c2ccccc2 2230a_100000210012_100015185245 [0,1,0,0,1,0|1,0,0]=3 7109 B15R2.1259 CN(Cc1cncs1)c2ccccc2 269982a_100000210012_100015185245 [0,1,0,0,1,0|1,0,0]=3 7110 B15R2.1259 CN(Cc1cncs1)c2ccccc2 34a_100000210012_100015185245 [0,1,0,0,1,0|1,0,0]=3 7111 B15R2.1259 CN(Cc1cscn1)c2ccccc2 2230a_100000210012_100000205941 [0,1,0,0,1,0|1,0,0]=3 7112 B15R2.1259 CN(Cc1cscn1)c2ccccc2 269982a_100000210012_100000205941 [0,1,0,0,1,0|1,0,0]=3 7113 B15R2.1259 CN(Cc1cscn1)c2ccccc2 34a_100000210012_100000205941 [0,1,0,0,1,0|1,0,0]=3 7114 B15R2.1259 CN(Cc1ncc[nH]1)c2ccccc2 2230a_100000210012_100016991755 [0,1,0,0,1,0|1,0,0]=3 7115 B15R2.1259 CN(Cc1ncc[nH]1)c2ccccc2 269982a_100000210012_100016991755 [0,1,0,0,1,0|1,0,0]=3 7116 B15R2.1259 CN(Cc1ncc[nH]1)c2ccccc2 34a_100000210012_100016991755 [0,1,0,0,1,0|1,0,0]=3 7117 B15R2.1259 CN(Cc1ncco1)c2ccccc2 2230a_100000210012_103436540062 [0,1,0,0,1,0|1,0,0]=3 7118 B15R2.1259 CN(Cc1ncco1)c2ccccc2 269982a_100000210012_103436540062 [0,1,0,0,1,0|1,0,0]=3 7119 B15R2.1259 CN(Cc1ncco1)c2ccccc2 34a_100000210012_103436540062 [0,1,0,0,1,0|1,0,0]=3 7120 B15R2.1259 CN(Cc1nccs1)c2ccccc2 2230a_100000210012_100015184050 [0,1,0,0,1,0|1,0,0]=3 7121 B15R2.1259 CN(Cc1nccs1)c2ccccc2 269982a_100000210012_100015184050 [0,1,0,0,1,0|1,0,0]=3 7122 B15R2.1259 CN(Cc1nccs1)c2ccccc2 34a_100000210012_100015184050 [0,1,0,0,1,0|1,0,0]=3 7123 B15R2.1259 CN(Cc1ncon1)c2ccccc2 269982a_100000210012_100000233494 [0,1,0,0,1,0|2,0,0]=4 7124 B15R2.1259 CN(Cc1ncon1)c2ccccc2 34a_100000210012_100000233494 [0,1,0,0,1,0|2,0,0]=4 7125 B15R2.1259 CN(Cn1cncn1)c2ccccc2 2230a_100000210012_200020645497 [0,1,0,0,1,0|2,0,0]=4 7126 B15R2.1259 CN(Cn1cncn1)c2ccccc2 269982a_100000210012_200020645497 [0,1,0,0,1,0|2,0,0]=4 7127 B15R2.1259 CN(Cn1cncn1)c2ccccc2 34a_100000210012_200020645497 [0,1,0,0,1,0|2,0,0]=4 7128 B15R2.1259 O=C(Cc1c[nH]cn1)c2ccccc2 1458a_100000185807_100000707719 [0,1,0,0,1,0|2,0,0]=4 7129 B15R2.1259 O=C(Cc1ccn[nH]1)c2ccccc2 1458a_100000185807_100000728653 [0,1,0,0,1,0|2,0,0]=4 7130 B15R2.1259 O=C(Cc1ccon1)c2ccccc2 1458a_100000185807_100000234950 [0,1,0,0,1,0|2,0,0]=4 7131 B15R2.1259 O=C(Cc1ccsc1)c2ccccc2 1458a_100000185807_100011233845 [0,1,0,0,1,0|2,0,0]=4 7132 B15R2.1259 O=C(Cc1cncs1)c2ccccc2 1458a_100000185807_100015185245 [0,1,0,0,1,0|2,0,0]=4 7133 B15R2.1259 O=C(Cc1cscn1)c2ccccc2 1458a_100000185807_100000205941 [0,1,0,0,1,0|2,0,0]=4 7134 B15R2.1259 O=C(Cc1ncco1)c2ccccc2 1458a_100000185807_103436540062 [0,1,0,0,1,0|2,0,0]=4 7135 B15R2.1259 O=C(Cc1nccs1)c2ccccc2 1458a_100000185807_100015184050 [0,1,0,0,1,0|2,0,0]=4 7136 B15R2.1259 [13CH3]N(Cc1ccco1)c2ccccc2 2230a_100000230375_200025704644 [0,1,0,0,1,0|1,0,0]=3 7137 B15R2.1259 [13CH3]N(Cc1ccco1)c2ccccc2 269982a_100000230375_200025704644 [0,1,0,0,1,0|1,0,0]=3 7138 B15R2.1259 [13CH3]N(Cc1ccco1)c2ccccc2 34a_100000230375_200025704644 [0,1,0,0,1,0|1,0,0]=3 7139 B17R2.143 CC(Cc1ccccc1)Nc2ccccc2 34a_100000106764_200011218536 [0,1,0,0,0,1|1,0,0]=3 7140 B17R2.143 CC(Cc1ccccc1)Oc2ccccc2 34a_100000210340_200011218536 [0,1,0,0,0,1|2,0,0]=4 7141 B17R2.143 CC(Cc1ccccc1)Oc2ccccc2 7a_100000210340_200011218536 [0,1,0,0,0,1|2,0,0]=4 7142 B17R2.143 CC(Cc1ccccc1)Oc2cccnc2 34a_100000210849_200011218536 [0,1,0,0,0,1|1,0,0]=3 7143 B17R2.143 CC(Cc1ccccc1)Oc2cccnc2 7a_100000210849_200011218536 [0,1,0,0,0,1|1,0,0]=3 7144 B17R2.143 CC(Cc1ccccc1)Oc2ccnnc2 34a_100015204005_200011218536 [0,1,0,0,0,1|2,0,0]=4 7145 B17R2.143 CC(Cc1ccccc1)Oc2cncnc2 7a_100000754086_200011218536 [0,1,0,0,0,1|2,0,0]=4 7146 B17R2.143 CC(Cc1ccccc1)Sc2ccccc2 62a_100000719477_200011218536 [0,1,0,0,0,1|2,0,0]=4 7147 B17R2.143 CC(Cc1ccccc1)Sc2ccccc2 62a_200011218536_100000041952 [0,1,0,0,0,1|2,0,0]=4 7148 B17R2.143 CC(Cc1ccccc1)Sc2cccnc2 62a_100000210063_200011218536 [0,1,0,0,0,1|1,0,0]=3 7149 B17R2.143 CC(Cc1ccccc1)Sc2cccnc2 62a_200011218536_100000210063 [0,1,0,0,0,1|1,0,0]=3 7150 B17R2.143 CC(Cc1ccccc1)Sc2cccnn2 62a_100016991348_200011218536 [0,1,0,0,0,1|2,0,0]=4 7151 B17R2.143 CC(Cc1ccccc1)Sc2cccnn2 62a_200011218536_100016991348 [0,1,0,0,0,1|2,0,0]=4 7152 B17R2.143 CC(Cc1ccccc1)Sc2ccnnc2 62a_100000732662_200011218536 [0,1,0,0,0,1|2,0,0]=4 7153 B17R2.143 CC(Cc1ccccc1)Sc2ccnnc2 62a_200011218536_100000732662 [0,1,0,0,0,1|2,0,0]=4 7154 B17R2.143 CC(Cc1ccccc1)Sc2cnccn2 62a_100000211759_200011218536 [0,1,0,0,0,1|2,0,0]=4 7155 B17R2.143 CC(Cc1ccccc1)Sc2cnccn2 62a_200011218536_100000211759 [0,1,0,0,0,1|2,0,0]=4 7156 B17R2.143 CC(Cc1ccccc1)Sc2cncnc2 62a_100011206942_200011218536 [0,1,0,0,0,1|2,0,0]=4 7157 B17R2.143 CC(Cc1ccccc1)Sc2cncnc2 62a_200011218536_100011206942 [0,1,0,0,0,1|2,0,0]=4 7158 B17R2.143 CC(Cc1cccnc1)Nc2cccnn2 27a_100011207255_100016991348 [0,1,0,0,0,1|2,0,0]=4 7159 B17R2.143 CC(Cc1cccnc1)Nc2ccncn2 27a_100011207255_100000703185 [0,1,0,0,0,1|2,0,0]=4 7160 B17R2.143 CC(Cc1cccnc1)Nc2cnccn2 27a_100011207255_100000211759 [0,1,0,0,0,1|2,0,0]=4 7161 B17R2.143 CC(Cc1cccnc1)Nc2ncccn2 27a_100011207255_100000211032 [0,1,0,0,0,1|2,0,0]=4 7162 B17R2.143 CN(Cc1ccccc1)Cc2ccccc2 2230a_100000185734_200000210301 [0,1,0,0,0,1|1,0,0]=3 7163 B17R2.143 CN(Cc1ccccc1)Cc2ccccc2 2230a_100000186898_100015291786 [0,1,0,0,0,1|1,0,0]=3 7164 B17R2.143 CN(Cc1ccccc1)Cc2ccccc2 269982a_100000185734_200000210301 [0,1,0,0,0,1|1,0,0]=3 7165 B17R2.143 CN(Cc1ccccc1)Cc2ccccc2 269982a_100000186898_100000211182 [0,1,0,0,0,1|1,0,0]=3 7166 B17R2.143 CN(Cc1ccccc1)Cc2ccccc2 270004a_100000186898_100015611070 [0,1,0,0,0,1|1,0,0]=3 7167 B17R2.143 CN(Cc1ccccc1)Cc2ccccn2 2230a_100000186898_100000721315 [0,1,0,0,0,1|2,0,0]=4 7168 B17R2.143 CN(Cc1ccccc1)Cc2ccccn2 2230a_100000207498_100015291786 [0,1,0,0,0,1|2,0,0]=4 7169 B17R2.143 CN(Cc1ccccc1)Cc2ccccn2 269982a_100000186898_100000721315 [0,1,0,0,0,1|2,0,0]=4 7170 B17R2.143 CN(Cc1ccccc1)Cc2ccccn2 269982a_100000207498_100000211182 [0,1,0,0,0,1|2,0,0]=4 7171 B17R2.143 CN(Cc1ccccc1)Cc2ccccn2 270004a_100000186898_100000209966 [0,1,0,0,0,1|2,0,0]=4 7172 B17R2.143 CN(Cc1ccccc1)Cc2ccccn2 270004a_100000207498_100015611070 [0,1,0,0,0,1|2,0,0]=4 7173 B17R2.143 CN(Cc1ccccc1)Cc2cccnc2 2230a_100000184577_100015291786 [0,1,0,0,0,1|0,0,0]=2 7174 B17R2.143 CN(Cc1ccccc1)Cc2cccnc2 2230a_100000186898_100000741622 [0,1,0,0,0,1|0,0,0]=2 7175 B17R2.143 CN(Cc1ccccc1)Cc2cccnc2 269982a_100000184577_100000211182 [0,1,0,0,0,1|0,0,0]=2 7176 B17R2.143 CN(Cc1ccccc1)Cc2cccnc2 269982a_100000186898_100000733263 [0,1,0,0,0,1|0,0,0]=2 7177 B17R2.143 CN(Cc1ccccc1)Cc2cccnc2 270004a_100000184577_100015611070 [0,1,0,0,0,1|0,0,0]=2 7178 B17R2.143 CN(Cc1ccccc1)Cc2cccnc2 270004a_100000186898_100000209961 [0,1,0,0,0,1|0,0,0]=2 7179 B17R2.143 CN(Cc1ccccc1)Cc2cccnn2 2230a_100000186898_100016990269 [0,1,0,0,0,1|1,0,0]=3 7180 B17R2.143 CN(Cc1ccccc1)Cc2ccncc2 2230a_100000186898_100015193705 [0,1,0,0,0,1|2,0,0]=4 7181 B17R2.143 CN(Cc1ccccc1)Cc2ccncc2 2230a_100000187231_100015291786 [0,1,0,0,0,1|2,0,0]=4 7182 B17R2.143 CN(Cc1ccccc1)Cc2ccncc2 269982a_100000186794_200000210301 [0,1,0,0,0,1|2,0,0]=4 7183 B17R2.143 CN(Cc1ccccc1)Cc2ccncc2 269982a_100000186898_100015193705 [0,1,0,0,0,1|2,0,0]=4 7184 B17R2.143 CN(Cc1ccccc1)Cc2ccncc2 269982a_100000187231_100000211182 [0,1,0,0,0,1|2,0,0]=4 7185 B17R2.143 CN(Cc1ccccc1)Cc2ccncc2 270004a_100000187231_100015611070 [0,1,0,0,0,1|2,0,0]=4 7186 B17R2.143 CN(Cc1ccccc1)Cc2ccnnc2 270004a_100000186898_100011934578 [0,1,0,0,0,1|1,0,0]=3 7187 B17R2.143 CN(Cc1ccccc1)Cc2cnccn2 2230a_100000186898_100016995436 [0,1,0,0,0,1|1,0,0]=3 7188 B17R2.143 CN(Cc1ccccc1)Cc2cnccn2 2230a_100011269079_100015291786 [0,1,0,0,0,1|1,0,0]=3 7189 B17R2.143 CN(Cc1ccccc1)Cc2cnccn2 269982a_100000186898_100016995436 [0,1,0,0,0,1|1,0,0]=3 7190 B17R2.143 CN(Cc1ccccc1)Cc2cnccn2 269982a_100011269079_100000211182 [0,1,0,0,0,1|1,0,0]=3 7191 B17R2.143 CN(Cc1ccccc1)Cc2cnccn2 270004a_100000186898_100000749867 [0,1,0,0,0,1|1,0,0]=3 7192 B17R2.143 CN(Cc1ccccc1)Cc2cnccn2 270004a_100011269079_100015611070 [0,1,0,0,0,1|1,0,0]=3 7193 B17R2.143 CN(Cc1ccccc1)Cc2cncnc2 2230a_100000186898_100015196519 [0,1,0,0,0,1|1,0,0]=3 7194 B17R2.143 CN(Cc1ccccc1)Cc2cncnc2 269982a_100000186898_100016991940 [0,1,0,0,0,1|1,0,0]=3 7195 B17R2.143 CN(Cc1ccccc1)Cc2cncnc2 270004a_100000186898_100000749868 [0,1,0,0,0,1|1,0,0]=3 7196 B17R2.143 CN(Cc1ccccn1)Cc2cccnn2 2230a_100000207498_100016990269 [0,1,0,0,0,1|2,0,0]=4 7197 B17R2.143 CN(Cc1ccccn1)Cc2cnccn2 2230a_100000207498_100016995436 [0,1,0,0,0,1|2,0,0]=4 7198 B17R2.143 CN(Cc1ccccn1)Cc2cnccn2 2230a_100011269079_100000721315 [0,1,0,0,0,1|2,0,0]=4 7199 B17R2.143 CN(Cc1ccccn1)Cc2cnccn2 269982a_100000207498_100016995436 [0,1,0,0,0,1|2,0,0]=4 7200 B17R2.143 CN(Cc1ccccn1)Cc2cnccn2 269982a_100011269079_100000721315 [0,1,0,0,0,1|2,0,0]=4 7201 B17R2.143 CN(Cc1ccccn1)Cc2cnccn2 270004a_100000207498_100000749867 [0,1,0,0,0,1|2,0,0]=4 7202 B17R2.143 CN(Cc1ccccn1)Cc2cnccn2 270004a_100011269079_100000209966 [0,1,0,0,0,1|2,0,0]=4 7203 B17R2.143 CN(Cc1cccnc1)Cc2ccccn2 2230a_100000184577_100000721315 [0,1,0,0,0,1|1,0,0]=3 7204 B17R2.143 CN(Cc1cccnc1)Cc2ccccn2 2230a_100000200736_200000210301 [0,1,0,0,0,1|1,0,0]=3 7205 B17R2.143 CN(Cc1cccnc1)Cc2ccccn2 2230a_100000207498_100000741622 [0,1,0,0,0,1|1,0,0]=3 7206 B17R2.143 CN(Cc1cccnc1)Cc2ccccn2 269982a_100000184577_100000721315 [0,1,0,0,0,1|1,0,0]=3 7207 B17R2.143 CN(Cc1cccnc1)Cc2ccccn2 269982a_100000200736_200000210301 [0,1,0,0,0,1|1,0,0]=3 7208 B17R2.143 CN(Cc1cccnc1)Cc2ccccn2 269982a_100000207498_100000733263 [0,1,0,0,0,1|1,0,0]=3 7209 B17R2.143 CN(Cc1cccnc1)Cc2ccccn2 270004a_100000184577_100000209966 [0,1,0,0,0,1|1,0,0]=3 7210 B17R2.143 CN(Cc1cccnc1)Cc2ccccn2 270004a_100000207498_100000209961 [0,1,0,0,0,1|1,0,0]=3 7211 B17R2.143 CN(Cc1cccnc1)Cc2cccnc2 2230a_100000184577_100000741622 [0,1,0,0,0,1|1,0,0]=3 7212 B17R2.143 CN(Cc1cccnc1)Cc2cccnc2 2230a_200000185688_200000210301 [0,1,0,0,0,1|1,0,0]=3 7213 B17R2.143 CN(Cc1cccnc1)Cc2cccnc2 269982a_100000184577_100000733263 [0,1,0,0,0,1|1,0,0]=3 7214 B17R2.143 CN(Cc1cccnc1)Cc2cccnc2 269982a_200000185688_200000210301 [0,1,0,0,0,1|1,0,0]=3 7215 B17R2.143 CN(Cc1cccnc1)Cc2cccnc2 270004a_100000184577_100000209961 [0,1,0,0,0,1|1,0,0]=3 7216 B17R2.143 CN(Cc1cccnc1)Cc2cccnn2 2230a_100000184577_100016990269 [0,1,0,0,0,1|2,0,0]=4 7217 B17R2.143 CN(Cc1cccnc1)Cc2ccnnc2 270004a_100000184577_100011934578 [0,1,0,0,0,1|2,0,0]=4 7218 B17R2.143 CN(Cc1cccnc1)Cc2cnccn2 2230a_100000184577_100016995436 [0,1,0,0,0,1|2,0,0]=4 7219 B17R2.143 CN(Cc1cccnc1)Cc2cnccn2 2230a_100011269079_100000741622 [0,1,0,0,0,1|2,0,0]=4 7220 B17R2.143 CN(Cc1cccnc1)Cc2cnccn2 269982a_100000184577_100016995436 [0,1,0,0,0,1|2,0,0]=4 7221 B17R2.143 CN(Cc1cccnc1)Cc2cnccn2 269982a_100011269079_100000733263 [0,1,0,0,0,1|2,0,0]=4 7222 B17R2.143 CN(Cc1cccnc1)Cc2cnccn2 270004a_100000184577_100000749867 [0,1,0,0,0,1|2,0,0]=4 7223 B17R2.143 CN(Cc1cccnc1)Cc2cnccn2 270004a_100011269079_100000209961 [0,1,0,0,0,1|2,0,0]=4 7224 B17R2.143 CN(Cc1cccnc1)Cc2cncnc2 2230a_100000184577_100015196519 [0,1,0,0,0,1|2,0,0]=4 7225 B17R2.143 CN(Cc1cccnc1)Cc2cncnc2 269982a_100000184577_100016991940 [0,1,0,0,0,1|2,0,0]=4 7226 B17R2.143 CN(Cc1cccnc1)Cc2cncnc2 270004a_100000184577_100000749868 [0,1,0,0,0,1|2,0,0]=4 7227 B17R2.143 CN(Cc1cccnc1)Cc2ncccn2 2230a_100000184577_100000703007 [0,1,0,0,0,1|2,0,0]=4 7228 B17R2.143 CN(Cc1cccnc1)Cc2ncccn2 2230a_100025716638_100000741622 [0,1,0,0,0,1|2,0,0]=4 7229 B17R2.143 CN(Cc1cccnc1)Cc2ncccn2 269982a_100000184577_100000703007 [0,1,0,0,0,1|2,0,0]=4 7230 B17R2.143 CN(Cc1cccnc1)Cc2ncccn2 269982a_100025716638_100000733263 [0,1,0,0,0,1|2,0,0]=4 7231 B17R2.143 CN(Cc1cccnc1)Cc2ncccn2 270004a_100000184577_100011532527 [0,1,0,0,0,1|2,0,0]=4 7232 B17R2.143 CN(Cc1ccncc1)Cc2cccnc2 2230a_100000184577_100015193705 [0,1,0,0,0,1|1,0,0]=3 7233 B17R2.143 CN(Cc1ccncc1)Cc2cccnc2 2230a_100000187231_100000741622 [0,1,0,0,0,1|1,0,0]=3 7234 B17R2.143 CN(Cc1ccncc1)Cc2cccnc2 269982a_100000184577_100015193705 [0,1,0,0,0,1|1,0,0]=3 7235 B17R2.143 CN(Cc1ccncc1)Cc2cccnc2 269982a_100000187231_100000733263 [0,1,0,0,0,1|1,0,0]=3 7236 B17R2.143 CN(Cc1ccncc1)Cc2cccnc2 270004a_100000187231_100000209961 [0,1,0,0,0,1|1,0,0]=3 7237 B17R2.143 CN(Cc1ccncc1)Cc2cccnn2 2230a_100000187231_100016990269 [0,1,0,0,0,1|2,0,0]=4 7238 B17R2.143 CN(Cc1ccncc1)Cc2ccnnc2 270004a_100000187231_100011934578 [0,1,0,0,0,1|2,0,0]=4 7239 B17R2.143 CN(Cc1ccncc1)Cc2cnccn2 2230a_100000187231_100016995436 [0,1,0,0,0,1|2,0,0]=4 7240 B17R2.143 CN(Cc1ccncc1)Cc2cnccn2 2230a_100011269079_100015193705 [0,1,0,0,0,1|2,0,0]=4 7241 B17R2.143 CN(Cc1ccncc1)Cc2cnccn2 269982a_100000187231_100016995436 [0,1,0,0,0,1|2,0,0]=4 7242 B17R2.143 CN(Cc1ccncc1)Cc2cnccn2 269982a_100011269079_100015193705 [0,1,0,0,0,1|2,0,0]=4 7243 B17R2.143 CN(Cc1ccncc1)Cc2cnccn2 270004a_100000187231_100000749867 [0,1,0,0,0,1|2,0,0]=4 7244 B17R2.143 CN(Cc1ccncc1)Cc2cncnc2 2230a_100000187231_100015196519 [0,1,0,0,0,1|2,0,0]=4 7245 B17R2.143 CN(Cc1ccncc1)Cc2cncnc2 269982a_100000187231_100016991940 [0,1,0,0,0,1|2,0,0]=4 7246 B17R2.143 CN(Cc1ccncc1)Cc2cncnc2 270004a_100000187231_100000749868 [0,1,0,0,0,1|2,0,0]=4 7247 B17R2.143 CN(Cc1ccnnc1)Cc2ccccn2 270004a_100000207498_100011934578 [0,1,0,0,0,1|2,0,0]=4 7248 B17R2.143 CN(Cc1cncnc1)Cc2ccccn2 2230a_100000207498_100015196519 [0,1,0,0,0,1|2,0,0]=4 7249 B17R2.143 CN(Cc1cncnc1)Cc2ccccn2 269982a_100000207498_100016991940 [0,1,0,0,0,1|2,0,0]=4 7250 B17R2.143 CN(Cc1cncnc1)Cc2ccccn2 270004a_100000207498_100000749868 [0,1,0,0,0,1|2,0,0]=4 7251 B17R2.143 O=C(C[n+]1ccccc1)Nc2ccccc2 11a_100000106764_200000086051 [0,1,0,0,0,1|2,0,0]=4 7252 B17R2.143 O=C(C[n+]1ccccc1)Nc2ccccc2 22a_100000106764_200000086051 [0,1,0,0,0,1|2,0,0]=4 7253 B17R2.143 O=C(C[n+]1ccccc1)Nc2ccccc2 527a_100000106764_200000086051 [0,1,0,0,0,1|2,0,0]=4 7254 B17R2.143 O=C(Cc1ccccc1)Cc2cccnc2 1458a_100000737805_100015291786 [0,1,0,0,0,1|1,0,0]=3 7255 B17R2.143 O=C(Cc1ccccc1)Cc2cncnc2 1458a_100000721575_100015291786 [0,1,0,0,0,1|2,0,0]=4 7256 B17R2.143 O=C(Cc1ccccn1)Nc2ccccc2 11a_100000106764_100000233486 [0,1,0,0,0,1|2,0,0]=4 7257 B17R2.143 O=C(Cc1ccccn1)Nc2ccccc2 22a_100000106764_100000233486 [0,1,0,0,0,1|2,0,0]=4 7258 B17R2.143 O=C(Cc1cccnc1)C[n+]2ccccc2 1458a_200000086051_100000733263 [0,1,0,0,0,1|2,0,0]=4 7259 B17R2.143 O=C(Cc1cccnc1)Cc2ccccn2 1458a_100000233486_100000733263 [0,1,0,0,0,1|2,0,0]=4 7260 B17R2.143 O=C(Cc1cccnc1)Cc2ccccn2 1458a_100000737805_100000721315 [0,1,0,0,0,1|2,0,0]=4 7261 B17R2.143 O=C(Cc1cccnc1)Cc2cccnc2 1458a_100000737805_100000733263 [0,1,0,0,0,1|2,0,0]=4 7262 B17R2.143 O=C(Cc1cccnc1)Nc2ccccc2 11a_100000106764_100000737805 [0,1,0,0,0,1|0,0,0]=2 7263 B17R2.143 O=C(Cc1cccnc1)Nc2ccccc2 22a_100000106764_100000737805 [0,1,0,0,0,1|0,0,0]=2 7264 B17R2.143 O=C(Cc1cccnc1)Nc2ccccc2 527a_100000106764_100000737805 [0,1,0,0,0,1|0,0,0]=2 7265 B17R2.143 O=C(Cc1ccncc1)Cc2cccnc2 1458a_100000737805_100000705612 [0,1,0,0,0,1|2,0,0]=4 7266 B17R2.143 O=C(Cc1ccncc1)Nc2ccccc2 11a_100000106764_100011201483 [0,1,0,0,0,1|2,0,0]=4 7267 B17R2.143 O=C(Cc1ccncc1)Nc2ccccc2 22a_100000106764_100011201483 [0,1,0,0,0,1|2,0,0]=4 7268 B17R2.143 O=C(Cc1cnccn1)Nc2ccccc2 11a_100000106764_100000726051 [0,1,0,0,0,1|1,0,0]=3 7269 B17R2.143 O=C(Cc1cnccn1)Nc2ccccc2 22a_100000106764_100000726051 [0,1,0,0,0,1|1,0,0]=3 7270 B17R2.143 O=C(Cc1cnccn1)Nc2ccccc2 527a_100000106764_100000726051 [0,1,0,0,0,1|1,0,0]=3 7271 B17R2.143 O=C(Cc1cncnc1)Nc2ccccc2 11a_100000106764_100000721575 [0,1,0,0,0,1|1,0,0]=3 7272 B17R2.143 O=C(Cc1cncnc1)Nc2ccccc2 22a_100000106764_100000721575 [0,1,0,0,0,1|1,0,0]=3 7273 B17R2.143 O=C(Cc1cncnc1)Nc2ccccc2 527a_100000106764_100000721575 [0,1,0,0,0,1|1,0,0]=3 7274 B17R2.143 [13CH3]N(Cc1ccccc1)Cc2ccccc2 2230a_100000185734_200025704644 [0,1,0,0,0,1|1,0,0]=3 7275 B17R2.143 [13CH3]N(Cc1ccccc1)Cc2ccccc2 269982a_100000185734_200025704644 [0,1,0,0,0,1|1,0,0]=3 7276 B17R2.143 [13CH3]N(Cc1ccccc1)Cc2ccncc2 269982a_100000186794_200025704644 [0,1,0,0,0,1|2,0,0]=4 7277 B17R2.143 [13CH3]N(Cc1cccnc1)Cc2ccccn2 2230a_100000200736_200025704644 [0,1,0,0,0,1|1,0,0]=3 7278 B17R2.143 [13CH3]N(Cc1cccnc1)Cc2ccccn2 269982a_100000200736_200025704644 [0,1,0,0,0,1|1,0,0]=3 7279 B17R2.143 [13CH3]N(Cc1cccnc1)Cc2cccnc2 2230a_200000185688_200025704644 [0,1,0,0,0,1|1,0,0]=3 7280 B17R2.143 [13CH3]N(Cc1cccnc1)Cc2cccnc2 269982a_200000185688_200025704644 [0,1,0,0,0,1|1,0,0]=3 7281 B17R2.216 Brc1ccc(cc1)C=CCc2ccccc2 271570a_200016263579_100000752885 [0,1,0,0,0,1|2,0,0]=4 7282 B17R2.216 Brc1ccc(cc1)C=NNc2ccccc2 4a_100015195140_100000186029 [0,1,0,0,0,1|1,0,1]=4 7283 B17R2.216 Brc1ccc(cc1)C=NNc2cccnc2 4a_100000728903_100000186029 [0,1,0,0,0,1|1,0,1]=4 7284 B17R2.216 Brc1ccc(cc1)CCNc2ccccc2 34a_100000106764_100011740612 [0,1,0,0,0,1|1,0,0]=3 7285 B17R2.216 Brc1ccc(cc1)CCNc2cccnn2 27a_100000755846_100016991348 [0,1,0,0,0,1|2,0,0]=4 7286 B17R2.216 Brc1ccc(cc1)CCNc2cnccn2 27a_100000755846_100000211759 [0,1,0,0,0,1|2,0,0]=4 7287 B17R2.216 Brc1ccc(cc1)CCOc2ccccc2 34a_100000210340_100011740612 [0,1,0,0,0,1|2,0,0]=4 7288 B17R2.216 Brc1ccc(cc1)CCOc2ccccc2 7a_100000210340_100011740612 [0,1,0,0,0,1|2,0,0]=4 7289 B17R2.216 Brc1ccc(cc1)CCOc2cccnc2 34a_100000210849_100011740612 [0,1,0,0,0,1|1,0,0]=3 7290 B17R2.216 Brc1ccc(cc1)CCOc2cccnc2 7a_100000210849_100011740612 [0,1,0,0,0,1|1,0,0]=3 7291 B17R2.216 Brc1ccc(cc1)CCOc2ccnnc2 34a_100015204005_100011740612 [0,1,0,0,0,1|2,0,0]=4 7292 B17R2.216 Brc1ccc(cc1)CCOc2cncnc2 7a_100000754086_100011740612 [0,1,0,0,0,1|2,0,0]=4 7293 B17R2.216 Brc1ccc(cc1)CCSc2ccccc2 62a_100000719477_100011740612 [0,1,0,0,0,1|2,0,0]=4 7294 B17R2.216 Brc1ccc(cc1)CCSc2ccccc2 62a_100011740612_100000041952 [0,1,0,0,0,1|2,0,0]=4 7295 B17R2.216 Brc1ccc(cc1)CCSc2cccnc2 62a_100000210063_100011740612 [0,1,0,0,0,1|1,0,0]=3 7296 B17R2.216 Brc1ccc(cc1)CCSc2cccnc2 62a_100011740612_100000210063 [0,1,0,0,0,1|1,0,0]=3 7297 B17R2.216 Brc1ccc(cc1)CCSc2cccnn2 62a_100011740612_100016991348 [0,1,0,0,0,1|2,0,0]=4 7298 B17R2.216 Brc1ccc(cc1)CCSc2cccnn2 62a_100016991348_100011740612 [0,1,0,0,0,1|2,0,0]=4 7299 B17R2.216 Brc1ccc(cc1)CCSc2ccnnc2 62a_100000732662_100011740612 [0,1,0,0,0,1|2,0,0]=4 7300 B17R2.216 Brc1ccc(cc1)CCSc2ccnnc2 62a_100011740612_100000732662 [0,1,0,0,0,1|2,0,0]=4 7301 B17R2.216 Brc1ccc(cc1)CCSc2cnccn2 62a_100000211759_100011740612 [0,1,0,0,0,1|2,0,0]=4 7302 B17R2.216 Brc1ccc(cc1)CCSc2cnccn2 62a_100011740612_100000211759 [0,1,0,0,0,1|2,0,0]=4 7303 B17R2.216 Brc1ccc(cc1)CCSc2cncnc2 62a_100011206942_100011740612 [0,1,0,0,0,1|2,0,0]=4 7304 B17R2.216 Brc1ccc(cc1)CCSc2cncnc2 62a_100011740612_100011206942 [0,1,0,0,0,1|2,0,0]=4 7305 B17R2.216 Brc1ccc(cc1)CNCc2ccccc2 207a_100000174875_100015611070 [0,1,0,0,0,1|1,0,0]=3 7306 B17R2.216 Brc1ccc(cc1)CNCc2ccccc2 207a_100015324214_100000186029 [0,1,0,0,0,1|1,0,0]=3 7307 B17R2.216 Brc1ccc(cc1)CNCc2ccccc2 2230a_100000174875_100015291786 [0,1,0,0,0,1|1,0,0]=3 7308 B17R2.216 Brc1ccc(cc1)CNCc2ccccc2 2230a_100015324214_100011217064 [0,1,0,0,0,1|1,0,0]=3 7309 B17R2.216 Brc1ccc(cc1)CNCc2ccccc2 270004a_100000174875_100015611070 [0,1,0,0,0,1|1,0,0]=3 7310 B17R2.216 Brc1ccc(cc1)CNCc2ccccc2 270004a_100015324214_100000186029 [0,1,0,0,0,1|1,0,0]=3 7311 B17R2.216 Brc1ccc(cc1)CNCc2ccccc2 34a_100000174875_100015291786 [0,1,0,0,0,1|1,0,0]=3 7312 B17R2.216 Brc1ccc(cc1)CNCc2ccccc2 34a_100015324214_100000189115 [0,1,0,0,0,1|1,0,0]=3 7313 B17R2.216 Brc1ccc(cc1)CNCc2ccccn2 207a_100000174875_100000209966 [0,1,0,0,0,1|2,0,0]=4 7314 B17R2.216 Brc1ccc(cc1)CNCc2ccccn2 2230a_100000174875_100000721315 [0,1,0,0,0,1|2,0,0]=4 7315 B17R2.216 Brc1ccc(cc1)CNCc2ccccn2 270004a_100000174875_100000209966 [0,1,0,0,0,1|2,0,0]=4 7316 B17R2.216 Brc1ccc(cc1)CNCc2ccccn2 270004a_100000210449_100000186029 [0,1,0,0,0,1|2,0,0]=4 7317 B17R2.216 Brc1ccc(cc1)CNCc2ccccn2 34a_100000174875_100000721315 [0,1,0,0,0,1|2,0,0]=4 7318 B17R2.216 Brc1ccc(cc1)CNCc2cccnc2 207a_100000174875_100000209961 [0,1,0,0,0,1|0,0,0]=2 7319 B17R2.216 Brc1ccc(cc1)CNCc2cccnc2 207a_100000210453_100000186029 [0,1,0,0,0,1|0,0,0]=2 7320 B17R2.216 Brc1ccc(cc1)CNCc2cccnc2 2230a_100000174875_100000741622 [0,1,0,0,0,1|0,0,0]=2 7321 B17R2.216 Brc1ccc(cc1)CNCc2cccnc2 270004a_100000174875_100000209961 [0,1,0,0,0,1|0,0,0]=2 7322 B17R2.216 Brc1ccc(cc1)CNCc2cccnc2 270004a_100000210453_100000186029 [0,1,0,0,0,1|0,0,0]=2 7323 B17R2.216 Brc1ccc(cc1)CNCc2cccnc2 34a_100000174875_100000733263 [0,1,0,0,0,1|0,0,0]=2 7324 B17R2.216 Brc1ccc(cc1)CNCc2cccnn2 2230a_100000174875_100016990269 [0,1,0,0,0,1|1,0,0]=3 7325 B17R2.216 Brc1ccc(cc1)CNCc2cccnn2 2230a_100159270163_100011217064 [0,1,0,0,0,1|1,0,0]=3 7326 B17R2.216 Brc1ccc(cc1)CNCc2cccnn2 34a_100000174875_100016990269 [0,1,0,0,0,1|1,0,0]=3 7327 B17R2.216 Brc1ccc(cc1)CNCc2ccncc2 207a_100000174875_100000186114 [0,1,0,0,0,1|2,0,0]=4 7328 B17R2.216 Brc1ccc(cc1)CNCc2ccncc2 2230a_100000174875_100015193705 [0,1,0,0,0,1|2,0,0]=4 7329 B17R2.216 Brc1ccc(cc1)CNCc2ccnnc2 270004a_100000174875_100011934578 [0,1,0,0,0,1|1,0,0]=3 7330 B17R2.216 Brc1ccc(cc1)CNCc2cnccn2 2230a_100000174875_100016995436 [0,1,0,0,0,1|1,0,0]=3 7331 B17R2.216 Brc1ccc(cc1)CNCc2cnccn2 270004a_100000174875_100000749867 [0,1,0,0,0,1|1,0,0]=3 7332 B17R2.216 Brc1ccc(cc1)CNCc2cnccn2 34a_100000174875_100016995436 [0,1,0,0,0,1|1,0,0]=3 7333 B17R2.216 Brc1ccc(cc1)CNCc2cncnc2 207a_100011243677_100000186029 [0,1,0,0,0,1|1,0,0]=3 7334 B17R2.216 Brc1ccc(cc1)CNCc2cncnc2 2230a_100000174875_100015196519 [0,1,0,0,0,1|1,0,0]=3 7335 B17R2.216 Brc1ccc(cc1)CNCc2cncnc2 2230a_100011243677_100011217064 [0,1,0,0,0,1|1,0,0]=3 7336 B17R2.216 Brc1ccc(cc1)CNCc2cncnc2 270004a_100000174875_100000749868 [0,1,0,0,0,1|1,0,0]=3 7337 B17R2.216 Brc1ccc(cc1)CNCc2cncnc2 270004a_100011243677_100000186029 [0,1,0,0,0,1|1,0,0]=3 7338 B17R2.216 Brc1ccc(cc1)CNCc2cncnc2 34a_100000174875_100015196519 [0,1,0,0,0,1|1,0,0]=3 7339 B17R2.216 Brc1ccc(cc1)COCc2ccccc2 34a_100000210790_100000189115 [0,1,0,0,0,1|2,0,0]=4 7340 B17R2.216 Brc1ccc(cc1)COCc2ccccc2 34a_100000695286_100015291786 [0,1,0,0,0,1|2,0,0]=4 7341 B17R2.216 Brc1ccc(cc1)COCc2ccccc2 7a_100000210790_100011217064 [0,1,0,0,0,1|2,0,0]=4 7342 B17R2.216 Brc1ccc(cc1)COCc2cccnc2 34a_100000695286_100000733263 [0,1,0,0,0,1|1,0,0]=3 7343 B17R2.216 Brc1ccc(cc1)COCc2cccnn2 34a_100000695286_100016990269 [0,1,0,0,0,1|2,0,0]=4 7344 B17R2.216 Brc1ccc(cc1)COCc2cnccn2 34a_100000695286_100016995436 [0,1,0,0,0,1|2,0,0]=4 7345 B17R2.216 Brc1ccc(cc1)COCc2cncnc2 34a_100000695286_100015196519 [0,1,0,0,0,1|2,0,0]=4 7346 B17R2.216 Brc1ccc(cc1)CSCc2ccccc2 62a_100000189115_100015291786 [0,1,0,0,0,1|2,0,0]=4 7347 B17R2.216 Brc1ccc(cc1)CSCc2ccccc2 62a_100000211182_100000189115 [0,1,0,0,0,1|2,0,0]=4 7348 B17R2.216 Brc1ccc(cc1)CSCc2cccnc2 62a_100000189115_100000741622 [0,1,0,0,0,1|1,0,0]=3 7349 B17R2.216 Brc1ccc(cc1)CSCc2cccnc2 62a_100000741622_100000189115 [0,1,0,0,0,1|1,0,0]=3 7350 B17R2.216 Brc1ccc(cc1)CSCc2cccnn2 62a_100000189115_100016990269 [0,1,0,0,0,1|2,0,0]=4 7351 B17R2.216 Brc1ccc(cc1)CSCc2cccnn2 62a_100016990269_100000189115 [0,1,0,0,0,1|2,0,0]=4 7352 B17R2.216 Brc1ccc(cc1)CSCc2cnccn2 62a_100000189115_100016995436 [0,1,0,0,0,1|2,0,0]=4 7353 B17R2.216 Brc1ccc(cc1)CSCc2cnccn2 62a_100016995436_100000189115 [0,1,0,0,0,1|2,0,0]=4 7354 B17R2.216 Brc1ccc(cc1)CSCc2cncnc2 62a_100000189115_100015196519 [0,1,0,0,0,1|2,0,0]=4 7355 B17R2.216 Brc1ccc(cc1)CSCc2cncnc2 62a_100015196519_100000189115 [0,1,0,0,0,1|2,0,0]=4 7356 B17R2.216 Brc1ccc(cc1)NCCc2ccccc2 2230a_100000210018_100000765856 [0,1,0,0,0,1|1,0,0]=3 7357 B17R2.216 Brc1ccc(cc1)NCCc2ccccc2 34a_100000210018_100000765856 [0,1,0,0,0,1|1,0,0]=3 7358 B17R2.216 Brc1ccc(cc1)NCCc2ccccn2 2230a_100000210018_100015183660 [0,1,0,0,0,1|2,0,0]=4 7359 B17R2.216 Brc1ccc(cc1)NCCc2cccnc2 2230a_100000210018_200011713674 [0,1,0,0,0,1|0,0,0]=2 7360 B17R2.216 Brc1ccc(cc1)NCCc2ccncc2 2230a_100000210018_100000723409 [0,1,0,0,0,1|2,0,0]=4 7361 B17R2.216 Brc1ccc(cc1)NCSc2ccccc2 2230a_100000210018_100011218342 [0,1,0,0,0,1|1,0,0]=3 7362 B17R2.216 Brc1ccc(cc1)NN=Cc2ccccc2 4a_100000735608_100015611070 [0,1,0,0,0,1|1,0,1]=4 7363 B17R2.216 Brc1ccc(cc1)NN=Cc2cccnc2 4a_100000735608_100000209961 [0,1,0,0,0,1|0,0,1]=3 7364 B17R2.216 Brc1ccc(cc1)NN=Cc2ccnnc2 4a_100000735608_100011934578 [0,1,0,0,0,1|1,0,1]=4 7365 B17R2.216 Brc1ccc(cc1)NN=Cc2cnccn2 4a_100000735608_100000749867 [0,1,0,0,0,1|1,0,1]=4 7366 B17R2.216 Brc1ccc(cc1)NN=Cc2cncnc2 4a_100000735608_100000749868 [0,1,0,0,0,1|1,0,1]=4 7367 B17R2.216 Brc1ccc(cc1)OCCc2ccccc2 34a_100000185759_100000765856 [0,1,0,0,0,1|2,0,0]=4 7368 B17R2.216 Brc1ccc(cc1)OCCc2ccccc2 7a_100000185759_100000765856 [0,1,0,0,0,1|2,0,0]=4 7369 B17R2.216 Brc1ccc(cc1)OCCc2cccnc2 7a_100000185759_200011713674 [0,1,0,0,0,1|1,0,0]=3 7370 B17R2.216 Brc1ccc(cc1)SCCc2ccccc2 62a_100000752885_100011218657 [0,1,0,0,0,1|2,0,0]=4 7371 B17R2.216 Brc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000752885 [0,1,0,0,0,1|2,0,0]=4 7372 B17R2.216 Brc1ccc(cc1)SCCc2cccnc2 62a_100000752885_200011713674 [0,1,0,0,0,1|1,0,0]=3 7373 B17R2.216 Brc1ccc(cc1)SCCc2cccnc2 62a_200011713674_100000752885 [0,1,0,0,0,1|1,0,0]=3 7374 B17R2.216 Brc1ccc(cc1)SCSc2ccccc2 62a_100000752885_100011218342 [0,1,0,0,0,1|2,0,0]=4 7375 B17R2.216 Brc1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000752885 [0,1,0,0,0,1|2,0,0]=4 7376 B17R2.216 Brc1ccc(cn1)C=CCc2ccccc2 271570a_200016263579_100009814638 [0,1,0,0,0,1|1,0,1]=4 7377 B17R2.216 Brc1ccc(cn1)C=NNc2ccccc2 4a_100015195140_100000763085 [0,1,0,0,0,1|0,0,1]=3 7378 B17R2.216 Brc1ccc(cn1)C=NNc2ccccn2 4a_100000183288_100000763085 [0,1,0,0,0,1|1,0,1]=4 7379 B17R2.216 Brc1ccc(cn1)C=NNc2cccnc2 4a_100000728903_100000763085 [0,1,0,0,0,1|1,0,1]=4 7380 B17R2.216 Brc1ccc(cn1)C=NNc2ccncc2 4a_100000698918_100000763085 [0,1,0,0,0,1|1,0,1]=4 7381 B17R2.216 Brc1ccc(cn1)CNCc2ccccc2 207a_100009817727_100015611070 [0,1,0,0,0,1|0,0,0]=2 7382 B17R2.216 Brc1ccc(cn1)CNCc2ccccc2 2230a_100009817727_100015291786 [0,1,0,0,0,1|0,0,0]=2 7383 B17R2.216 Brc1ccc(cn1)CNCc2ccccc2 2230a_100015324214_100009831999 [0,1,0,0,0,1|0,0,0]=2 7384 B17R2.216 Brc1ccc(cn1)CNCc2ccccc2 270004a_100009817727_100015611070 [0,1,0,0,0,1|0,0,0]=2 7385 B17R2.216 Brc1ccc(cn1)CNCc2ccccc2 34a_100009817727_100015291786 [0,1,0,0,0,1|0,0,0]=2 7386 B17R2.216 Brc1ccc(cn1)CNCc2ccccc2 34a_100015324214_100009831999 [0,1,0,0,0,1|0,0,0]=2 7387 B17R2.216 Brc1ccc(cn1)CNCc2ccccn2 207a_100009817727_100000209966 [0,1,0,0,0,1|1,0,0]=3 7388 B17R2.216 Brc1ccc(cn1)CNCc2ccccn2 2230a_100009817727_100000721315 [0,1,0,0,0,1|1,0,0]=3 7389 B17R2.216 Brc1ccc(cn1)CNCc2ccccn2 270004a_100009817727_100000209966 [0,1,0,0,0,1|1,0,0]=3 7390 B17R2.216 Brc1ccc(cn1)CNCc2ccccn2 34a_100009817727_100000721315 [0,1,0,0,0,1|1,0,0]=3 7391 B17R2.216 Brc1ccc(cn1)CNCc2cccnc2 207a_100009817727_100000209961 [0,1,0,0,0,1|1,0,0]=3 7392 B17R2.216 Brc1ccc(cn1)CNCc2cccnc2 2230a_100009817727_100000741622 [0,1,0,0,0,1|1,0,0]=3 7393 B17R2.216 Brc1ccc(cn1)CNCc2cccnc2 270004a_100009817727_100000209961 [0,1,0,0,0,1|1,0,0]=3 7394 B17R2.216 Brc1ccc(cn1)CNCc2cccnc2 34a_100009817727_100000733263 [0,1,0,0,0,1|1,0,0]=3 7395 B17R2.216 Brc1ccc(cn1)CNCc2cccnn2 2230a_100009817727_100016990269 [0,1,0,0,0,1|2,0,0]=4 7396 B17R2.216 Brc1ccc(cn1)CNCc2cccnn2 2230a_100159270163_100009831999 [0,1,0,0,0,1|2,0,0]=4 7397 B17R2.216 Brc1ccc(cn1)CNCc2cccnn2 34a_100009817727_100016990269 [0,1,0,0,0,1|2,0,0]=4 7398 B17R2.216 Brc1ccc(cn1)CNCc2ccncc2 207a_100009817727_100000186114 [0,1,0,0,0,1|1,0,0]=3 7399 B17R2.216 Brc1ccc(cn1)CNCc2ccncc2 2230a_100009817727_100015193705 [0,1,0,0,0,1|1,0,0]=3 7400 B17R2.216 Brc1ccc(cn1)CNCc2ccnnc2 270004a_100009817727_100011934578 [0,1,0,0,0,1|2,0,0]=4 7401 B17R2.216 Brc1ccc(cn1)CNCc2cnccn2 2230a_100009817727_100016995436 [0,1,0,0,0,1|2,0,0]=4 7402 B17R2.216 Brc1ccc(cn1)CNCc2cnccn2 270004a_100009817727_100000749867 [0,1,0,0,0,1|2,0,0]=4 7403 B17R2.216 Brc1ccc(cn1)CNCc2cnccn2 34a_100009817727_100016995436 [0,1,0,0,0,1|2,0,0]=4 7404 B17R2.216 Brc1ccc(cn1)CNCc2cncnc2 2230a_100009817727_100015196519 [0,1,0,0,0,1|2,0,0]=4 7405 B17R2.216 Brc1ccc(cn1)CNCc2cncnc2 2230a_100011243677_100009831999 [0,1,0,0,0,1|2,0,0]=4 7406 B17R2.216 Brc1ccc(cn1)CNCc2cncnc2 270004a_100009817727_100000749868 [0,1,0,0,0,1|2,0,0]=4 7407 B17R2.216 Brc1ccc(cn1)CNCc2cncnc2 34a_100009817727_100015196519 [0,1,0,0,0,1|2,0,0]=4 7408 B17R2.216 Brc1ccc(cn1)CNCc2ncccn2 2230a_100009817727_100000703007 [0,1,0,0,0,1|2,0,0]=4 7409 B17R2.216 Brc1ccc(cn1)CNCc2ncccn2 270004a_100009817727_100011532527 [0,1,0,0,0,1|2,0,0]=4 7410 B17R2.216 Brc1ccc(cn1)CNCc2ncccn2 34a_100009817727_100000703007 [0,1,0,0,0,1|2,0,0]=4 7411 B17R2.216 Brc1ccc(cn1)COCc2ccccc2 34a_100000210790_100009831999 [0,1,0,0,0,1|1,0,0]=3 7412 B17R2.216 Brc1ccc(cn1)COCc2ccccc2 34a_100009816760_100015291786 [0,1,0,0,0,1|1,0,0]=3 7413 B17R2.216 Brc1ccc(cn1)COCc2ccccc2 7a_100000210790_100009831999 [0,1,0,0,0,1|1,0,0]=3 7414 B17R2.216 Brc1ccc(cn1)COCc2ccccc2 7a_100009816760_100000211182 [0,1,0,0,0,1|1,0,0]=3 7415 B17R2.216 Brc1ccc(cn1)COCc2ccccn2 34a_100009816760_100000721315 [0,1,0,0,0,1|2,0,0]=4 7416 B17R2.216 Brc1ccc(cn1)COCc2ccccn2 7a_100009816760_100000721315 [0,1,0,0,0,1|2,0,0]=4 7417 B17R2.216 Brc1ccc(cn1)COCc2cccnc2 34a_100009816760_100000733263 [0,1,0,0,0,1|2,0,0]=4 7418 B17R2.216 Brc1ccc(cn1)COCc2cccnc2 7a_100009816760_100000741622 [0,1,0,0,0,1|2,0,0]=4 7419 B17R2.216 Brc1ccc(cn1)COCc2ccncc2 7a_100009816760_100015193705 [0,1,0,0,0,1|2,0,0]=4 7420 B17R2.216 Brc1ccc(cn1)CSCc2ccccc2 62a_100000211182_100009831999 [0,1,0,0,0,1|1,0,0]=3 7421 B17R2.216 Brc1ccc(cn1)CSCc2ccccc2 62a_100009831999_100015291786 [0,1,0,0,0,1|1,0,0]=3 7422 B17R2.216 Brc1ccc(cn1)CSCc2ccccn2 62a_100000721315_100009831999 [0,1,0,0,0,1|2,0,0]=4 7423 B17R2.216 Brc1ccc(cn1)CSCc2ccccn2 62a_100009831999_100000721315 [0,1,0,0,0,1|2,0,0]=4 7424 B17R2.216 Brc1ccc(cn1)CSCc2cccnc2 62a_100000741622_100009831999 [0,1,0,0,0,1|2,0,0]=4 7425 B17R2.216 Brc1ccc(cn1)CSCc2cccnc2 62a_100009831999_100000741622 [0,1,0,0,0,1|2,0,0]=4 7426 B17R2.216 Brc1ccc(cn1)CSCc2ccncc2 62a_100009831999_100015193705 [0,1,0,0,0,1|2,0,0]=4 7427 B17R2.216 Brc1ccc(cn1)CSCc2ccncc2 62a_100015193705_100009831999 [0,1,0,0,0,1|2,0,0]=4 7428 B17R2.216 Brc1ccc(cn1)NN=Cc2ccccc2 4a_100000755011_100015611070 [0,1,0,0,0,1|1,0,1]=4 7429 B17R2.216 Brc1ccc(cn1)NN=Cc2cccnc2 4a_100000755011_100000209961 [0,1,0,0,0,1|1,0,1]=4 7430 B17R2.216 Brc1ccc(cn1)OCCc2ccccc2 34a_100000685995_100000765856 [0,1,0,0,0,1|1,0,0]=3 7431 B17R2.216 Brc1ccc(cn1)OCCc2ccccc2 7a_100000685995_100000765856 [0,1,0,0,0,1|1,0,0]=3 7432 B17R2.216 Brc1ccc(cn1)OCCc2ccccn2 7a_100000685995_100015183660 [0,1,0,0,0,1|2,0,0]=4 7433 B17R2.216 Brc1ccc(cn1)OCCc2cccnc2 7a_100000685995_200011713674 [0,1,0,0,0,1|2,0,0]=4 7434 B17R2.216 Brc1ccc(cn1)OCCc2ccncc2 7a_100000685995_100000723409 [0,1,0,0,0,1|2,0,0]=4 7435 B17R2.216 Brc1ccc(cn1)SCCc2ccccc2 62a_100000765856_100009814638 [0,1,0,0,0,1|1,0,0]=3 7436 B17R2.216 Brc1ccc(cn1)SCCc2ccccc2 62a_100009814638_100011218657 [0,1,0,0,0,1|1,0,0]=3 7437 B17R2.216 Brc1ccc(cn1)SCCc2ccccn2 62a_100009814638_100015183660 [0,1,0,0,0,1|2,0,0]=4 7438 B17R2.216 Brc1ccc(cn1)SCCc2ccccn2 62a_100015183660_100009814638 [0,1,0,0,0,1|2,0,0]=4 7439 B17R2.216 Brc1ccc(cn1)SCCc2cccnc2 62a_100009814638_200011713674 [0,1,0,0,0,1|2,0,0]=4 7440 B17R2.216 Brc1ccc(cn1)SCCc2cccnc2 62a_200011713674_100009814638 [0,1,0,0,0,1|2,0,0]=4 7441 B17R2.216 Brc1ccc(cn1)SCCc2ccncc2 62a_100000723409_100009814638 [0,1,0,0,0,1|2,0,0]=4 7442 B17R2.216 Brc1ccc(cn1)SCCc2ccncc2 62a_100009814638_100000723409 [0,1,0,0,0,1|2,0,0]=4 7443 B17R2.216 Brc1ccc(cn1)SCSc2ccccc2 62a_100009814638_100011218342 [0,1,0,0,0,1|1,0,0]=3 7444 B17R2.216 Brc1ccc(cn1)SCSc2ccccc2 62a_100011218342_100009814638 [0,1,0,0,0,1|1,0,0]=3 7445 B17R2.216 Brc1ccc(nc1)CNCc2ccccc2 207a_100015324214_100000754260 [0,1,0,0,0,1|2,0,0]=4 7446 B17R2.216 Brc1ccc(nc1)CNCc2ccccc2 2230a_100015324214_100000702658 [0,1,0,0,0,1|2,0,0]=4 7447 B17R2.216 Brc1ccc(nc1)CNCc2ccccc2 270004a_100015324214_100000754260 [0,1,0,0,0,1|2,0,0]=4 7448 B17R2.216 Brc1ccc(nc1)CNCc2ccccc2 34a_100015188789_100015291786 [0,1,0,0,0,1|2,0,0]=4 7449 B17R2.216 Brc1ccc(nc1)CNCc2ccccc2 34a_100015324214_100000702658 [0,1,0,0,0,1|2,0,0]=4 7450 B17R2.216 Brc1ccc(nc1)CNCc2cccnc2 207a_100000210453_100000754260 [0,1,0,0,0,1|1,0,0]=3 7451 B17R2.216 Brc1ccc(nc1)CNCc2cccnc2 270004a_100000210453_100000754260 [0,1,0,0,0,1|1,0,0]=3 7452 B17R2.216 Brc1ccc(nc1)CNCc2cccnc2 34a_100015188789_100000733263 [0,1,0,0,0,1|1,0,0]=3 7453 B17R2.216 Brc1ccc(nc1)CNCc2cccnn2 2230a_100159270163_100000702658 [0,1,0,0,0,1|2,0,0]=4 7454 B17R2.216 Brc1ccc(nc1)CNCc2cccnn2 34a_100015188789_100016990269 [0,1,0,0,0,1|2,0,0]=4 7455 B17R2.216 Brc1ccc(nc1)CNCc2cnccn2 34a_100015188789_100016995436 [0,1,0,0,0,1|2,0,0]=4 7456 B17R2.216 Brc1ccc(nc1)CNCc2cncnc2 207a_100011243677_100000754260 [0,1,0,0,0,1|2,0,0]=4 7457 B17R2.216 Brc1ccc(nc1)CNCc2cncnc2 2230a_100011243677_100000702658 [0,1,0,0,0,1|2,0,0]=4 7458 B17R2.216 Brc1ccc(nc1)CNCc2cncnc2 270004a_100011243677_100000754260 [0,1,0,0,0,1|2,0,0]=4 7459 B17R2.216 Brc1ccc(nc1)CNCc2cncnc2 34a_100015188789_100015196519 [0,1,0,0,0,1|2,0,0]=4 7460 B17R2.216 Brc1ccc(nc1)COCc2cccnc2 34a_100000754261_100000733263 [0,1,0,0,0,1|2,0,0]=4 7461 B17R2.216 Brc1ccc(nc1)CSCc2cccnc2 62a_100000702658_100000741622 [0,1,0,0,0,1|2,0,0]=4 7462 B17R2.216 Brc1ccc(nc1)CSCc2cccnc2 62a_100000741622_100000702658 [0,1,0,0,0,1|2,0,0]=4 7463 B17R2.216 Brc1ccc(nc1)NCCc2ccccc2 27a_100000106460_100000686858 [0,1,0,0,0,1|2,0,0]=4 7464 B17R2.216 Brc1ccc(nc1)NCCc2cccnc2 27a_100000736294_100000686858 [0,1,0,0,0,1|1,0,0]=3 7465 B17R2.216 Brc1ccc(nc1)NCCc2cnccn2 27a_100000723456_100000686858 [0,1,0,0,0,1|2,0,0]=4 7466 B17R2.216 Brc1ccc(nc1)NN=Cc2cccnc2 4a_100000750576_100000209961 [0,1,0,0,0,1|1,0,1]=4 7467 B17R2.216 Brc1ccc(nc1)SCCc2cccnc2 62a_100000686858_200011713674 [0,1,0,0,0,1|2,0,0]=4 7468 B17R2.216 Brc1ccc(nc1)SCCc2cccnc2 62a_200011713674_100000686858 [0,1,0,0,0,1|2,0,0]=4 7469 B17R2.216 Brc1cnc(cn1)NCCc2ccccc2 27a_100000106460_100010187541 [0,1,0,0,0,1|2,0,0]=4 7470 B17R2.216 Brc1cnc(cn1)NCCc2cccnc2 27a_100000736294_100010187541 [0,1,0,0,0,1|2,0,0]=4 7471 B17R2.216 Brc1cnc(cn1)OCCc2ccccc2 34a_100011934580_100000765856 [0,1,0,0,0,1|2,0,0]=4 7472 B17R2.216 Brc1cnc(cn1)SCCc2ccccc2 62a_100000765856_100010187541 [0,1,0,0,0,1|2,0,0]=4 7473 B17R2.216 Brc1cnc(cn1)SCCc2ccccc2 62a_100010187541_100011218657 [0,1,0,0,0,1|2,0,0]=4 7474 B17R2.216 Brc1cnc(cn1)SCSc2ccccc2 62a_100010187541_100011218342 [0,1,0,0,0,1|2,0,0]=4 7475 B17R2.216 Brc1cnc(cn1)SCSc2ccccc2 62a_100011218342_100010187541 [0,1,0,0,0,1|2,0,0]=4 7476 B17R2.216 Brc1cnc(nc1)NCCc2cccnc2 27a_100000736294_100000690281 [0,1,0,0,0,1|2,0,0]=4 7477 B17R2.216 Brc1ncc(cn1)OCCc2ccccc2 34a_100000730009_100000765856 [0,1,0,0,0,1|2,0,0]=4 7478 B17R2.216 Brc1ncc(cn1)OCCc2ccccc2 7a_100000730009_100000765856 [0,1,0,0,0,1|2,0,0]=4 7479 B17R2.216 Brc1ncc(cn1)SCCc2ccccc2 62a_100000765856_200012349914 [0,1,0,0,0,1|2,0,0]=4 7480 B17R2.216 Brc1ncc(cn1)SCCc2ccccc2 62a_200012349914_100011218657 [0,1,0,0,0,1|2,0,0]=4 7481 B17R2.216 Brc1ncc(cn1)SCSc2ccccc2 62a_100011218342_200012349914 [0,1,0,0,0,1|2,0,0]=4 7482 B17R2.216 Brc1ncc(cn1)SCSc2ccccc2 62a_200012349914_100011218342 [0,1,0,0,0,1|2,0,0]=4 7483 B17R2.216 C[n+]1ccc(cc1)COCc2cccnc2 34a_100009831711_100000733263 [0,1,0,0,0,1|2,0,0]=4 7484 B17R2.216 Cc1ccc(cc1)C=CCc2ccccc2 271570a_200016263579_100000186775 [0,1,0,0,0,1|2,0,0]=4 7485 B17R2.216 Cc1ccc(cc1)C=NNc2ccccc2 4a_100015195140_100000211033 [0,1,0,0,0,1|1,0,1]=4 7486 B17R2.216 Cc1ccc(cc1)C=NNc2cccnc2 4a_100000728903_100000211033 [0,1,0,0,0,1|1,0,1]=4 7487 B17R2.216 Cc1ccc(cc1)CCNc2ccccc2 34a_100000106764_100011713686 [0,1,0,0,0,1|1,0,0]=3 7488 B17R2.216 Cc1ccc(cc1)CCNc2cccnn2 27a_100000705350_100016991348 [0,1,0,0,0,1|2,0,0]=4 7489 B17R2.216 Cc1ccc(cc1)CCNc2cnccn2 27a_100000705350_100000211759 [0,1,0,0,0,1|2,0,0]=4 7490 B17R2.216 Cc1ccc(cc1)CCOc2ccccc2 34a_100000210340_100011713686 [0,1,0,0,0,1|2,0,0]=4 7491 B17R2.216 Cc1ccc(cc1)CCOc2ccccc2 7a_100000210340_100011713686 [0,1,0,0,0,1|2,0,0]=4 7492 B17R2.216 Cc1ccc(cc1)CCOc2cccnc2 34a_100000210849_100011713686 [0,1,0,0,0,1|1,0,0]=3 7493 B17R2.216 Cc1ccc(cc1)CCOc2cccnc2 7a_100000210849_100011713686 [0,1,0,0,0,1|1,0,0]=3 7494 B17R2.216 Cc1ccc(cc1)CCOc2ccnnc2 34a_100015204005_100011713686 [0,1,0,0,0,1|2,0,0]=4 7495 B17R2.216 Cc1ccc(cc1)CCOc2cncnc2 7a_100000754086_100011713686 [0,1,0,0,0,1|2,0,0]=4 7496 B17R2.216 Cc1ccc(cc1)CCSc2ccccc2 62a_100000719477_100011713686 [0,1,0,0,0,1|2,0,0]=4 7497 B17R2.216 Cc1ccc(cc1)CCSc2ccccc2 62a_100011713686_100000041952 [0,1,0,0,0,1|2,0,0]=4 7498 B17R2.216 Cc1ccc(cc1)CCSc2cccnc2 62a_100000210063_100011713686 [0,1,0,0,0,1|1,0,0]=3 7499 B17R2.216 Cc1ccc(cc1)CCSc2cccnc2 62a_100011713686_100000210063 [0,1,0,0,0,1|1,0,0]=3 7500 B17R2.216 Cc1ccc(cc1)CCSc2cccnn2 62a_100011713686_100016991348 [0,1,0,0,0,1|2,0,0]=4 7501 B17R2.216 Cc1ccc(cc1)CCSc2cccnn2 62a_100016991348_100011713686 [0,1,0,0,0,1|2,0,0]=4 7502 B17R2.216 Cc1ccc(cc1)CCSc2ccnnc2 62a_100000732662_100011713686 [0,1,0,0,0,1|2,0,0]=4 7503 B17R2.216 Cc1ccc(cc1)CCSc2ccnnc2 62a_100011713686_100000732662 [0,1,0,0,0,1|2,0,0]=4 7504 B17R2.216 Cc1ccc(cc1)CCSc2cnccn2 62a_100000211759_100011713686 [0,1,0,0,0,1|2,0,0]=4 7505 B17R2.216 Cc1ccc(cc1)CCSc2cnccn2 62a_100011713686_100000211759 [0,1,0,0,0,1|2,0,0]=4 7506 B17R2.216 Cc1ccc(cc1)CCSc2cncnc2 62a_100011206942_100011713686 [0,1,0,0,0,1|2,0,0]=4 7507 B17R2.216 Cc1ccc(cc1)CCSc2cncnc2 62a_100011713686_100011206942 [0,1,0,0,0,1|2,0,0]=4 7508 B17R2.216 Cc1ccc(cc1)CNCc2ccccc2 207a_100000174908_100015611070 [0,1,0,0,0,1|1,0,0]=3 7509 B17R2.216 Cc1ccc(cc1)CNCc2ccccc2 207a_100015324214_100000211033 [0,1,0,0,0,1|1,0,0]=3 7510 B17R2.216 Cc1ccc(cc1)CNCc2ccccc2 2230a_100000174908_100015291786 [0,1,0,0,0,1|1,0,0]=3 7511 B17R2.216 Cc1ccc(cc1)CNCc2ccccc2 2230a_100015324214_100000210814 [0,1,0,0,0,1|1,0,0]=3 7512 B17R2.216 Cc1ccc(cc1)CNCc2ccccc2 270004a_100000174908_100015611070 [0,1,0,0,0,1|1,0,0]=3 7513 B17R2.216 Cc1ccc(cc1)CNCc2ccccc2 270004a_100015324214_100000211033 [0,1,0,0,0,1|1,0,0]=3 7514 B17R2.216 Cc1ccc(cc1)CNCc2ccccc2 34a_100000174908_100015291786 [0,1,0,0,0,1|1,0,0]=3 7515 B17R2.216 Cc1ccc(cc1)CNCc2ccccc2 34a_100015324214_100000210814 [0,1,0,0,0,1|1,0,0]=3 7516 B17R2.216 Cc1ccc(cc1)CNCc2ccccn2 207a_100000174908_100000209966 [0,1,0,0,0,1|2,0,0]=4 7517 B17R2.216 Cc1ccc(cc1)CNCc2ccccn2 2230a_100000174908_100000721315 [0,1,0,0,0,1|2,0,0]=4 7518 B17R2.216 Cc1ccc(cc1)CNCc2ccccn2 270004a_100000174908_100000209966 [0,1,0,0,0,1|2,0,0]=4 7519 B17R2.216 Cc1ccc(cc1)CNCc2ccccn2 270004a_100000210449_100000211033 [0,1,0,0,0,1|2,0,0]=4 7520 B17R2.216 Cc1ccc(cc1)CNCc2ccccn2 34a_100000174908_100000721315 [0,1,0,0,0,1|2,0,0]=4 7521 B17R2.216 Cc1ccc(cc1)CNCc2cccnc2 207a_100000174908_100000209961 [0,1,0,0,0,1|0,0,0]=2 7522 B17R2.216 Cc1ccc(cc1)CNCc2cccnc2 207a_100000210453_100000211033 [0,1,0,0,0,1|0,0,0]=2 7523 B17R2.216 Cc1ccc(cc1)CNCc2cccnc2 2230a_100000174908_100000741622 [0,1,0,0,0,1|0,0,0]=2 7524 B17R2.216 Cc1ccc(cc1)CNCc2cccnc2 270004a_100000174908_100000209961 [0,1,0,0,0,1|0,0,0]=2 7525 B17R2.216 Cc1ccc(cc1)CNCc2cccnc2 270004a_100000210453_100000211033 [0,1,0,0,0,1|0,0,0]=2 7526 B17R2.216 Cc1ccc(cc1)CNCc2cccnc2 34a_100000174908_100000733263 [0,1,0,0,0,1|0,0,0]=2 7527 B17R2.216 Cc1ccc(cc1)CNCc2cccnn2 2230a_100000174908_100016990269 [0,1,0,0,0,1|1,0,0]=3 7528 B17R2.216 Cc1ccc(cc1)CNCc2cccnn2 2230a_100159270163_100000210814 [0,1,0,0,0,1|1,0,0]=3 7529 B17R2.216 Cc1ccc(cc1)CNCc2cccnn2 34a_100000174908_100016990269 [0,1,0,0,0,1|1,0,0]=3 7530 B17R2.216 Cc1ccc(cc1)CNCc2ccncc2 207a_100000174908_100000186114 [0,1,0,0,0,1|2,0,0]=4 7531 B17R2.216 Cc1ccc(cc1)CNCc2ccncc2 2230a_100000174908_100015193705 [0,1,0,0,0,1|2,0,0]=4 7532 B17R2.216 Cc1ccc(cc1)CNCc2ccnnc2 270004a_100000174908_100011934578 [0,1,0,0,0,1|1,0,0]=3 7533 B17R2.216 Cc1ccc(cc1)CNCc2cnccn2 2230a_100000174908_100016995436 [0,1,0,0,0,1|1,0,0]=3 7534 B17R2.216 Cc1ccc(cc1)CNCc2cnccn2 270004a_100000174908_100000749867 [0,1,0,0,0,1|1,0,0]=3 7535 B17R2.216 Cc1ccc(cc1)CNCc2cnccn2 34a_100000174908_100016995436 [0,1,0,0,0,1|1,0,0]=3 7536 B17R2.216 Cc1ccc(cc1)CNCc2cncnc2 207a_100011243677_100000211033 [0,1,0,0,0,1|1,0,0]=3 7537 B17R2.216 Cc1ccc(cc1)CNCc2cncnc2 2230a_100000174908_100015196519 [0,1,0,0,0,1|1,0,0]=3 7538 B17R2.216 Cc1ccc(cc1)CNCc2cncnc2 2230a_100011243677_100000210814 [0,1,0,0,0,1|1,0,0]=3 7539 B17R2.216 Cc1ccc(cc1)CNCc2cncnc2 270004a_100000174908_100000749868 [0,1,0,0,0,1|1,0,0]=3 7540 B17R2.216 Cc1ccc(cc1)CNCc2cncnc2 270004a_100011243677_100000211033 [0,1,0,0,0,1|1,0,0]=3 7541 B17R2.216 Cc1ccc(cc1)CNCc2cncnc2 34a_100000174908_100015196519 [0,1,0,0,0,1|1,0,0]=3 7542 B17R2.216 Cc1ccc(cc1)COCc2ccccc2 34a_100000210790_100000210814 [0,1,0,0,0,1|2,0,0]=4 7543 B17R2.216 Cc1ccc(cc1)COCc2ccccc2 34a_100011215236_100015291786 [0,1,0,0,0,1|2,0,0]=4 7544 B17R2.216 Cc1ccc(cc1)COCc2ccccc2 7a_100000210790_100000210814 [0,1,0,0,0,1|2,0,0]=4 7545 B17R2.216 Cc1ccc(cc1)COCc2ccccc2 7a_100011215236_100000211182 [0,1,0,0,0,1|2,0,0]=4 7546 B17R2.216 Cc1ccc(cc1)COCc2cccnc2 34a_100011215236_100000733263 [0,1,0,0,0,1|1,0,0]=3 7547 B17R2.216 Cc1ccc(cc1)COCc2cccnc2 7a_100011215236_100000741622 [0,1,0,0,0,1|1,0,0]=3 7548 B17R2.216 Cc1ccc(cc1)COCc2cccnn2 34a_100011215236_100016990269 [0,1,0,0,0,1|2,0,0]=4 7549 B17R2.216 Cc1ccc(cc1)COCc2cccnn2 7a_100011215236_100016990269 [0,1,0,0,0,1|2,0,0]=4 7550 B17R2.216 Cc1ccc(cc1)COCc2cnccn2 34a_100011215236_100016995436 [0,1,0,0,0,1|2,0,0]=4 7551 B17R2.216 Cc1ccc(cc1)COCc2cnccn2 7a_100011215236_100016995436 [0,1,0,0,0,1|2,0,0]=4 7552 B17R2.216 Cc1ccc(cc1)COCc2cncnc2 34a_100011215236_100015196519 [0,1,0,0,0,1|2,0,0]=4 7553 B17R2.216 Cc1ccc(cc1)COCc2cncnc2 7a_100011215236_100015196519 [0,1,0,0,0,1|2,0,0]=4 7554 B17R2.216 Cc1ccc(cc1)CSCc2ccccc2 62a_100000210814_100015291786 [0,1,0,0,0,1|2,0,0]=4 7555 B17R2.216 Cc1ccc(cc1)CSCc2ccccc2 62a_100000211182_100000210814 [0,1,0,0,0,1|2,0,0]=4 7556 B17R2.216 Cc1ccc(cc1)CSCc2cccnc2 62a_100000210814_100000741622 [0,1,0,0,0,1|1,0,0]=3 7557 B17R2.216 Cc1ccc(cc1)CSCc2cccnc2 62a_100000741622_100000210814 [0,1,0,0,0,1|1,0,0]=3 7558 B17R2.216 Cc1ccc(cc1)CSCc2cccnn2 62a_100000210814_100016990269 [0,1,0,0,0,1|2,0,0]=4 7559 B17R2.216 Cc1ccc(cc1)CSCc2cccnn2 62a_100016990269_100000210814 [0,1,0,0,0,1|2,0,0]=4 7560 B17R2.216 Cc1ccc(cc1)CSCc2cnccn2 62a_100000210814_100016995436 [0,1,0,0,0,1|2,0,0]=4 7561 B17R2.216 Cc1ccc(cc1)CSCc2cnccn2 62a_100016995436_100000210814 [0,1,0,0,0,1|2,0,0]=4 7562 B17R2.216 Cc1ccc(cc1)CSCc2cncnc2 62a_100000210814_100015196519 [0,1,0,0,0,1|2,0,0]=4 7563 B17R2.216 Cc1ccc(cc1)CSCc2cncnc2 62a_100015196519_100000210814 [0,1,0,0,0,1|2,0,0]=4 7564 B17R2.216 Cc1ccc(cc1)NCCc2ccccc2 34a_100000124888_100000765856 [0,1,0,0,0,1|1,0,0]=3 7565 B17R2.216 Cc1ccc(cc1)NN=Cc2ccccc2 4a_100000683527_100015611070 [0,1,0,0,0,1|1,0,1]=4 7566 B17R2.216 Cc1ccc(cc1)NN=Cc2cccnc2 4a_100000683527_100000209961 [0,1,0,0,0,1|0,0,1]=3 7567 B17R2.216 Cc1ccc(cc1)NN=Cc2ccnnc2 4a_100000683527_100011934578 [0,1,0,0,0,1|1,0,1]=4 7568 B17R2.216 Cc1ccc(cc1)NN=Cc2cnccn2 4a_100000683527_100000749867 [0,1,0,0,0,1|1,0,1]=4 7569 B17R2.216 Cc1ccc(cc1)NN=Cc2cncnc2 4a_100000683527_100000749868 [0,1,0,0,0,1|1,0,1]=4 7570 B17R2.216 Cc1ccc(cc1)OCCc2ccccc2 34a_100000210336_100000765856 [0,1,0,0,0,1|2,0,0]=4 7571 B17R2.216 Cc1ccc(cc1)OCCc2ccccc2 7a_100000210336_100000765856 [0,1,0,0,0,1|2,0,0]=4 7572 B17R2.216 Cc1ccc(cc1)OCCc2cccnc2 7a_100000210336_200011713674 [0,1,0,0,0,1|1,0,0]=3 7573 B17R2.216 Cc1ccc(cc1)SCCc2ccccc2 62a_100000186775_100011218657 [0,1,0,0,0,1|2,0,0]=4 7574 B17R2.216 Cc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000186775 [0,1,0,0,0,1|2,0,0]=4 7575 B17R2.216 Cc1ccc(cc1)SCCc2cccnc2 62a_100000186775_200011713674 [0,1,0,0,0,1|1,0,0]=3 7576 B17R2.216 Cc1ccc(cc1)SCCc2cccnc2 62a_200011713674_100000186775 [0,1,0,0,0,1|1,0,0]=3 7577 B17R2.216 Cc1ccc(cc1)SCSc2ccccc2 62a_100000186775_100011218342 [0,1,0,0,0,1|2,0,0]=4 7578 B17R2.216 Cc1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000186775 [0,1,0,0,0,1|2,0,0]=4 7579 B17R2.216 Cc1ccc(cn1)C=CCc2ccccc2 271570a_200016263579_100000751577 [0,1,0,0,0,1|1,0,1]=4 7580 B17R2.216 Cc1ccc(cn1)C=NNc2ccccc2 4a_100015195140_100000743784 [0,1,0,0,0,1|0,0,1]=3 7581 B17R2.216 Cc1ccc(cn1)C=NNc2ccccn2 4a_100000183288_100000743784 [0,1,0,0,0,1|1,0,1]=4 7582 B17R2.216 Cc1ccc(cn1)C=NNc2cccnc2 4a_100000728903_100000743784 [0,1,0,0,0,1|1,0,1]=4 7583 B17R2.216 Cc1ccc(cn1)C=NNc2ccncc2 4a_100000698918_100000743784 [0,1,0,0,0,1|1,0,1]=4 7584 B17R2.216 Cc1ccc(cn1)CNCc2ccccc2 207a_100000740942_100015611070 [0,1,0,0,0,1|0,0,0]=2 7585 B17R2.216 Cc1ccc(cn1)CNCc2ccccc2 2230a_100015324214_100016987292 [0,1,0,0,0,1|0,0,0]=2 7586 B17R2.216 Cc1ccc(cn1)CNCc2ccccc2 270004a_100000740942_100015611070 [0,1,0,0,0,1|0,0,0]=2 7587 B17R2.216 Cc1ccc(cn1)CNCc2ccccc2 270004a_100015324214_100000743784 [0,1,0,0,0,1|0,0,0]=2 7588 B17R2.216 Cc1ccc(cn1)CNCc2ccccc2 34a_100000740942_100015291786 [0,1,0,0,0,1|0,0,0]=2 7589 B17R2.216 Cc1ccc(cn1)CNCc2ccccc2 34a_100015324214_100016987292 [0,1,0,0,0,1|0,0,0]=2 7590 B17R2.216 Cc1ccc(cn1)CNCc2ccccn2 207a_100000740942_100000209966 [0,1,0,0,0,1|1,0,0]=3 7591 B17R2.216 Cc1ccc(cn1)CNCc2ccccn2 270004a_100000210449_100000743784 [0,1,0,0,0,1|1,0,0]=3 7592 B17R2.216 Cc1ccc(cn1)CNCc2ccccn2 270004a_100000740942_100000209966 [0,1,0,0,0,1|1,0,0]=3 7593 B17R2.216 Cc1ccc(cn1)CNCc2ccccn2 34a_100000740942_100000721315 [0,1,0,0,0,1|1,0,0]=3 7594 B17R2.216 Cc1ccc(cn1)CNCc2cccnc2 207a_100000740942_100000209961 [0,1,0,0,0,1|1,0,0]=3 7595 B17R2.216 Cc1ccc(cn1)CNCc2cccnc2 270004a_100000210453_100000743784 [0,1,0,0,0,1|1,0,0]=3 7596 B17R2.216 Cc1ccc(cn1)CNCc2cccnc2 270004a_100000740942_100000209961 [0,1,0,0,0,1|1,0,0]=3 7597 B17R2.216 Cc1ccc(cn1)CNCc2cccnc2 34a_100000740942_100000733263 [0,1,0,0,0,1|1,0,0]=3 7598 B17R2.216 Cc1ccc(cn1)CNCc2cccnn2 2230a_100159270163_100016987292 [0,1,0,0,0,1|2,0,0]=4 7599 B17R2.216 Cc1ccc(cn1)CNCc2cccnn2 34a_100000740942_100016990269 [0,1,0,0,0,1|2,0,0]=4 7600 B17R2.216 Cc1ccc(cn1)CNCc2ccncc2 207a_100000740942_100000186114 [0,1,0,0,0,1|1,0,0]=3 7601 B17R2.216 Cc1ccc(cn1)CNCc2ccnnc2 270004a_100000740942_100011934578 [0,1,0,0,0,1|2,0,0]=4 7602 B17R2.216 Cc1ccc(cn1)CNCc2cnccn2 270004a_100000740942_100000749867 [0,1,0,0,0,1|2,0,0]=4 7603 B17R2.216 Cc1ccc(cn1)CNCc2cnccn2 34a_100000740942_100016995436 [0,1,0,0,0,1|2,0,0]=4 7604 B17R2.216 Cc1ccc(cn1)CNCc2cncnc2 2230a_100011243677_100016987292 [0,1,0,0,0,1|2,0,0]=4 7605 B17R2.216 Cc1ccc(cn1)CNCc2cncnc2 270004a_100000740942_100000749868 [0,1,0,0,0,1|2,0,0]=4 7606 B17R2.216 Cc1ccc(cn1)CNCc2cncnc2 270004a_100011243677_100000743784 [0,1,0,0,0,1|2,0,0]=4 7607 B17R2.216 Cc1ccc(cn1)CNCc2cncnc2 34a_100000740942_100015196519 [0,1,0,0,0,1|2,0,0]=4 7608 B17R2.216 Cc1ccc(cn1)CNCc2ncccn2 270004a_100000740942_100011532527 [0,1,0,0,0,1|2,0,0]=4 7609 B17R2.216 Cc1ccc(cn1)CNCc2ncccn2 34a_100000740942_100000703007 [0,1,0,0,0,1|2,0,0]=4 7610 B17R2.216 Cc1ccc(cn1)COCc2ccccc2 34a_100000210790_100016987292 [0,1,0,0,0,1|1,0,0]=3 7611 B17R2.216 Cc1ccc(cn1)COCc2ccccc2 34a_100011248133_100015291786 [0,1,0,0,0,1|1,0,0]=3 7612 B17R2.216 Cc1ccc(cn1)COCc2ccccc2 7a_100000210790_100016987292 [0,1,0,0,0,1|1,0,0]=3 7613 B17R2.216 Cc1ccc(cn1)COCc2ccccn2 34a_100011248133_100000721315 [0,1,0,0,0,1|2,0,0]=4 7614 B17R2.216 Cc1ccc(cn1)COCc2cccnc2 34a_100011248133_100000733263 [0,1,0,0,0,1|2,0,0]=4 7615 B17R2.216 Cc1ccc(cn1)CSCc2ccccc2 62a_100000211182_100016987292 [0,1,0,0,0,1|1,0,0]=3 7616 B17R2.216 Cc1ccc(cn1)CSCc2ccccc2 62a_100016987292_100015291786 [0,1,0,0,0,1|1,0,0]=3 7617 B17R2.216 Cc1ccc(cn1)CSCc2ccccn2 62a_100000721315_100016987292 [0,1,0,0,0,1|2,0,0]=4 7618 B17R2.216 Cc1ccc(cn1)CSCc2ccccn2 62a_100016987292_100000721315 [0,1,0,0,0,1|2,0,0]=4 7619 B17R2.216 Cc1ccc(cn1)CSCc2cccnc2 62a_100000741622_100016987292 [0,1,0,0,0,1|2,0,0]=4 7620 B17R2.216 Cc1ccc(cn1)CSCc2cccnc2 62a_100016987292_100000741622 [0,1,0,0,0,1|2,0,0]=4 7621 B17R2.216 Cc1ccc(cn1)CSCc2ccncc2 62a_100015193705_100016987292 [0,1,0,0,0,1|2,0,0]=4 7622 B17R2.216 Cc1ccc(cn1)CSCc2ccncc2 62a_100016987292_100015193705 [0,1,0,0,0,1|2,0,0]=4 7623 B17R2.216 Cc1ccc(cn1)NN=Cc2ccccc2 4a_100020639869_100015611070 [0,1,0,0,0,1|1,0,1]=4 7624 B17R2.216 Cc1ccc(cn1)NN=Cc2cccnc2 4a_100020639869_100000209961 [0,1,0,0,0,1|1,0,1]=4 7625 B17R2.216 Cc1ccc(cn1)OCCc2ccccc2 34a_100000745506_100000765856 [0,1,0,0,0,1|1,0,0]=3 7626 B17R2.216 Cc1ccc(cn1)OCCc2ccccc2 7a_100000745506_100000765856 [0,1,0,0,0,1|1,0,0]=3 7627 B17R2.216 Cc1ccc(cn1)OCCc2ccccn2 7a_100000745506_100015183660 [0,1,0,0,0,1|2,0,0]=4 7628 B17R2.216 Cc1ccc(cn1)OCCc2cccnc2 7a_100000745506_200011713674 [0,1,0,0,0,1|2,0,0]=4 7629 B17R2.216 Cc1ccc(cn1)OCCc2ccncc2 7a_100000745506_100000723409 [0,1,0,0,0,1|2,0,0]=4 7630 B17R2.216 Cc1ccc(cn1)SCCc2ccccc2 62a_100000751577_100011218657 [0,1,0,0,0,1|1,0,0]=3 7631 B17R2.216 Cc1ccc(cn1)SCCc2ccccc2 62a_100000765856_100000751577 [0,1,0,0,0,1|1,0,0]=3 7632 B17R2.216 Cc1ccc(cn1)SCCc2ccccn2 62a_100000751577_100015183660 [0,1,0,0,0,1|2,0,0]=4 7633 B17R2.216 Cc1ccc(cn1)SCCc2ccccn2 62a_100015183660_100000751577 [0,1,0,0,0,1|2,0,0]=4 7634 B17R2.216 Cc1ccc(cn1)SCCc2cccnc2 62a_100000751577_200011713674 [0,1,0,0,0,1|2,0,0]=4 7635 B17R2.216 Cc1ccc(cn1)SCCc2cccnc2 62a_200011713674_100000751577 [0,1,0,0,0,1|2,0,0]=4 7636 B17R2.216 Cc1ccc(cn1)SCCc2ccncc2 62a_100000723409_100000751577 [0,1,0,0,0,1|2,0,0]=4 7637 B17R2.216 Cc1ccc(cn1)SCCc2ccncc2 62a_100000751577_100000723409 [0,1,0,0,0,1|2,0,0]=4 7638 B17R2.216 Cc1ccc(cn1)SCSc2ccccc2 62a_100000751577_100011218342 [0,1,0,0,0,1|1,0,0]=3 7639 B17R2.216 Cc1ccc(cn1)SCSc2ccccc2 62a_100011218342_100000751577 [0,1,0,0,0,1|1,0,0]=3 7640 B17R2.216 Cc1ccc(nc1)CNCc2ccccc2 207a_100015324214_100000050478 [0,1,0,0,0,1|2,0,0]=4 7641 B17R2.216 Cc1ccc(nc1)CNCc2ccccc2 2230a_100015324214_100000691093 [0,1,0,0,0,1|2,0,0]=4 7642 B17R2.216 Cc1ccc(nc1)CNCc2ccccc2 270004a_100015324214_100000050478 [0,1,0,0,0,1|2,0,0]=4 7643 B17R2.216 Cc1ccc(nc1)CNCc2ccccc2 34a_100015187455_100015291786 [0,1,0,0,0,1|2,0,0]=4 7644 B17R2.216 Cc1ccc(nc1)CNCc2ccccc2 34a_100015324214_100000691093 [0,1,0,0,0,1|2,0,0]=4 7645 B17R2.216 Cc1ccc(nc1)CNCc2cccnc2 207a_100000210453_100000050478 [0,1,0,0,0,1|1,0,0]=3 7646 B17R2.216 Cc1ccc(nc1)CNCc2cccnc2 270004a_100000210453_100000050478 [0,1,0,0,0,1|1,0,0]=3 7647 B17R2.216 Cc1ccc(nc1)CNCc2cccnc2 34a_100015187455_100000733263 [0,1,0,0,0,1|1,0,0]=3 7648 B17R2.216 Cc1ccc(nc1)CNCc2cccnn2 2230a_100159270163_100000691093 [0,1,0,0,0,1|2,0,0]=4 7649 B17R2.216 Cc1ccc(nc1)CNCc2cccnn2 34a_100015187455_100016990269 [0,1,0,0,0,1|2,0,0]=4 7650 B17R2.216 Cc1ccc(nc1)CNCc2cnccn2 34a_100015187455_100016995436 [0,1,0,0,0,1|2,0,0]=4 7651 B17R2.216 Cc1ccc(nc1)CNCc2cncnc2 207a_100011243677_100000050478 [0,1,0,0,0,1|2,0,0]=4 7652 B17R2.216 Cc1ccc(nc1)CNCc2cncnc2 2230a_100011243677_100000691093 [0,1,0,0,0,1|2,0,0]=4 7653 B17R2.216 Cc1ccc(nc1)CNCc2cncnc2 270004a_100011243677_100000050478 [0,1,0,0,0,1|2,0,0]=4 7654 B17R2.216 Cc1ccc(nc1)CNCc2cncnc2 34a_100015187455_100015196519 [0,1,0,0,0,1|2,0,0]=4 7655 B17R2.216 Cc1ccc(nc1)COCc2cccnc2 34a_100012001401_100000733263 [0,1,0,0,0,1|2,0,0]=4 7656 B17R2.216 Cc1ccc(nc1)CSCc2cccnc2 62a_100000691093_100000741622 [0,1,0,0,0,1|2,0,0]=4 7657 B17R2.216 Cc1ccc(nc1)CSCc2cccnc2 62a_100000741622_100000691093 [0,1,0,0,0,1|2,0,0]=4 7658 B17R2.216 Cc1ccc(nc1)NN=Cc2cccnc2 4a_100000746693_100000209961 [0,1,0,0,0,1|1,0,1]=4 7659 B17R2.216 Cc1ccc(nc1)SCCc2cccnc2 62a_100011192072_200011713674 [0,1,0,0,0,1|2,0,0]=4 7660 B17R2.216 Cc1ccc(nc1)SCCc2cccnc2 62a_200011713674_100000754016 [0,1,0,0,0,1|2,0,0]=4 7661 B17R2.216 Cc1ccc(nn1)NCCc2ccccc2 27a_100000106460_100000744512 [0,1,0,0,0,1|2,0,0]=4 7662 B17R2.216 Cc1ccc(nn1)NCCc2cccnc2 27a_100000736294_100000744512 [0,1,0,0,0,1|2,0,0]=4 7663 B17R2.216 Cc1ccc(nn1)SCCc2ccccc2 62a_100000744512_100011218657 [0,1,0,0,0,1|2,0,0]=4 7664 B17R2.216 Cc1ccc(nn1)SCCc2ccccc2 62a_100000765856_100000744512 [0,1,0,0,0,1|2,0,0]=4 7665 B17R2.216 Cc1ccc(nn1)SCSc2ccccc2 62a_100000744512_100011218342 [0,1,0,0,0,1|2,0,0]=4 7666 B17R2.216 Cc1ccc(nn1)SCSc2ccccc2 62a_100011218342_100000744512 [0,1,0,0,0,1|2,0,0]=4 7667 B17R2.216 Cc1cnc(cn1)C=NNc2ccccc2 4a_100015195140_100000685221 [0,1,0,0,0,1|1,0,1]=4 7668 B17R2.216 Cc1cnc(cn1)CNCc2ccccc2 2230a_100015324214_100000752025 [0,1,0,0,0,1|1,0,0]=3 7669 B17R2.216 Cc1cnc(cn1)CNCc2ccccc2 270004a_100015324214_100000685221 [0,1,0,0,0,1|1,0,0]=3 7670 B17R2.216 Cc1cnc(cn1)CNCc2ccccc2 34a_100132314150_100015291786 [0,1,0,0,0,1|1,0,0]=3 7671 B17R2.216 Cc1cnc(cn1)CNCc2ccccn2 270004a_100000210449_100000685221 [0,1,0,0,0,1|2,0,0]=4 7672 B17R2.216 Cc1cnc(cn1)CNCc2ccccn2 34a_100132314150_100000721315 [0,1,0,0,0,1|2,0,0]=4 7673 B17R2.216 Cc1cnc(cn1)CNCc2cccnc2 270004a_100000210453_100000685221 [0,1,0,0,0,1|2,0,0]=4 7674 B17R2.216 Cc1cnc(cn1)CNCc2cccnc2 34a_100132314150_100000733263 [0,1,0,0,0,1|2,0,0]=4 7675 B17R2.216 Cc1cnc(cn1)COCc2ccccc2 34a_100011273949_100015291786 [0,1,0,0,0,1|2,0,0]=4 7676 B17R2.216 Cc1cnc(cn1)COCc2ccccc2 7a_100000210790_100000752025 [0,1,0,0,0,1|2,0,0]=4 7677 B17R2.216 Cc1cnc(cn1)CSCc2ccccc2 62a_100000211182_100000752025 [0,1,0,0,0,1|2,0,0]=4 7678 B17R2.216 Cc1cnc(cn1)CSCc2ccccc2 62a_100000752025_100015291786 [0,1,0,0,0,1|2,0,0]=4 7679 B17R2.216 Cc1cnc(cn1)NCCc2ccccc2 27a_100000106460_100000074397 [0,1,0,0,0,1|2,0,0]=4 7680 B17R2.216 Cc1cnc(cn1)NCCc2cccnc2 27a_100000736294_100000074397 [0,1,0,0,0,1|2,0,0]=4 7681 B17R2.216 Cc1cnc(cn1)SCCc2ccccc2 62a_100000765856_100011999403 [0,1,0,0,0,1|2,0,0]=4 7682 B17R2.216 Cc1cnc(cn1)SCCc2ccccc2 62a_100011999403_100011218657 [0,1,0,0,0,1|2,0,0]=4 7683 B17R2.216 Cc1cnc(cn1)SCSc2ccccc2 62a_100011218342_100011999403 [0,1,0,0,0,1|2,0,0]=4 7684 B17R2.216 Cc1cnc(cn1)SCSc2ccccc2 62a_100011999403_100011218342 [0,1,0,0,0,1|2,0,0]=4 7685 B17R2.216 Cc1cnc(nc1)NCCc2cccnc2 27a_100000736294_100000061069 [0,1,0,0,0,1|2,0,0]=4 7686 B17R2.216 Cc1ncc(cn1)CNCc2ccccc2 270004a_100015324214_100011202771 [0,1,0,0,0,1|1,0,0]=3 7687 B17R2.216 Cc1ncc(cn1)CNCc2ccccn2 270004a_100000210449_100011202771 [0,1,0,0,0,1|2,0,0]=4 7688 B17R2.216 Cc1ncc(cn1)CNCc2cccnc2 270004a_100000210453_100011202771 [0,1,0,0,0,1|2,0,0]=4 7689 B17R2.216 Cc1ncc(cn1)COCc2ccccc2 34a_100011746891_100015291786 [0,1,0,0,0,1|2,0,0]=4 7690 B17R2.216 Cc1ncc(cn1)OCCc2ccccc2 34a_100000062939_100000765856 [0,1,0,0,0,1|2,0,0]=4 7691 B17R2.216 Cc1ncc(cn1)OCCc2ccccc2 7a_100000062939_100000765856 [0,1,0,0,0,1|2,0,0]=4 7692 B17R2.216 Cc1ncc(cn1)SCCc2ccccc2 62a_100000686985_100011218657 [0,1,0,0,0,1|2,0,0]=4 7693 B17R2.216 Cc1ncc(cn1)SCCc2ccccc2 62a_100000765856_100000686985 [0,1,0,0,0,1|2,0,0]=4 7694 B17R2.216 Cc1ncc(cn1)SCSc2ccccc2 62a_100000686985_100011218342 [0,1,0,0,0,1|2,0,0]=4 7695 B17R2.216 Cc1ncc(cn1)SCSc2ccccc2 62a_100011218342_100000686985 [0,1,0,0,0,1|2,0,0]=4 7696 B17R2.216 Clc1ccc(cc1)C=CCc2ccccc2 271570a_200016263579_100000755918 [0,1,0,0,0,1|2,0,0]=4 7697 B17R2.216 Clc1ccc(cc1)C=NNc2ccccc2 4a_100015195140_100000189385 [0,1,0,0,0,1|1,0,1]=4 7698 B17R2.216 Clc1ccc(cc1)C=NNc2cccnc2 4a_100000728903_100000189385 [0,1,0,0,0,1|1,0,1]=4 7699 B17R2.216 Clc1ccc(cc1)CCNc2ccccc2 34a_100000106764_100011713675 [0,1,0,0,0,1|1,0,0]=3 7700 B17R2.216 Clc1ccc(cc1)CCNc2cccnn2 27a_100000185265_100016991348 [0,1,0,0,0,1|2,0,0]=4 7701 B17R2.216 Clc1ccc(cc1)CCNc2cnccn2 27a_100000185265_100000211759 [0,1,0,0,0,1|2,0,0]=4 7702 B17R2.216 Clc1ccc(cc1)CCOc2ccccc2 34a_100000210340_100011713675 [0,1,0,0,0,1|2,0,0]=4 7703 B17R2.216 Clc1ccc(cc1)CCOc2ccccc2 7a_100000210340_100011713675 [0,1,0,0,0,1|2,0,0]=4 7704 B17R2.216 Clc1ccc(cc1)CCOc2cccnc2 34a_100000210849_100011713675 [0,1,0,0,0,1|1,0,0]=3 7705 B17R2.216 Clc1ccc(cc1)CCOc2cccnc2 7a_100000210849_100011713675 [0,1,0,0,0,1|1,0,0]=3 7706 B17R2.216 Clc1ccc(cc1)CCOc2ccnnc2 34a_100015204005_100011713675 [0,1,0,0,0,1|2,0,0]=4 7707 B17R2.216 Clc1ccc(cc1)CCOc2cncnc2 7a_100000754086_100011713675 [0,1,0,0,0,1|2,0,0]=4 7708 B17R2.216 Clc1ccc(cc1)CCSc2ccccc2 62a_100000719477_100011713675 [0,1,0,0,0,1|2,0,0]=4 7709 B17R2.216 Clc1ccc(cc1)CCSc2ccccc2 62a_100011713675_100000041952 [0,1,0,0,0,1|2,0,0]=4 7710 B17R2.216 Clc1ccc(cc1)CCSc2cccnc2 62a_100000210063_100011713675 [0,1,0,0,0,1|1,0,0]=3 7711 B17R2.216 Clc1ccc(cc1)CCSc2cccnc2 62a_100011713675_100000210063 [0,1,0,0,0,1|1,0,0]=3 7712 B17R2.216 Clc1ccc(cc1)CCSc2cccnn2 62a_100011713675_100016991348 [0,1,0,0,0,1|2,0,0]=4 7713 B17R2.216 Clc1ccc(cc1)CCSc2cccnn2 62a_100016991348_100011713675 [0,1,0,0,0,1|2,0,0]=4 7714 B17R2.216 Clc1ccc(cc1)CCSc2ccnnc2 62a_100000732662_100011713675 [0,1,0,0,0,1|2,0,0]=4 7715 B17R2.216 Clc1ccc(cc1)CCSc2ccnnc2 62a_100011713675_100000732662 [0,1,0,0,0,1|2,0,0]=4 7716 B17R2.216 Clc1ccc(cc1)CCSc2cnccn2 62a_100000211759_100011713675 [0,1,0,0,0,1|2,0,0]=4 7717 B17R2.216 Clc1ccc(cc1)CCSc2cnccn2 62a_100011713675_100000211759 [0,1,0,0,0,1|2,0,0]=4 7718 B17R2.216 Clc1ccc(cc1)CCSc2cncnc2 62a_100011206942_100011713675 [0,1,0,0,0,1|2,0,0]=4 7719 B17R2.216 Clc1ccc(cc1)CCSc2cncnc2 62a_100011713675_100011206942 [0,1,0,0,0,1|2,0,0]=4 7720 B17R2.216 Clc1ccc(cc1)CNCc2ccccc2 207a_100000174871_100015611070 [0,1,0,0,0,1|1,0,0]=3 7721 B17R2.216 Clc1ccc(cc1)CNCc2ccccc2 207a_100015324214_100000189385 [0,1,0,0,0,1|1,0,0]=3 7722 B17R2.216 Clc1ccc(cc1)CNCc2ccccc2 2230a_100000174871_100015291786 [0,1,0,0,0,1|1,0,0]=3 7723 B17R2.216 Clc1ccc(cc1)CNCc2ccccc2 2230a_100015324214_100000694040 [0,1,0,0,0,1|1,0,0]=3 7724 B17R2.216 Clc1ccc(cc1)CNCc2ccccc2 270004a_100000174871_100015611070 [0,1,0,0,0,1|1,0,0]=3 7725 B17R2.216 Clc1ccc(cc1)CNCc2ccccc2 270004a_100015324214_100000189385 [0,1,0,0,0,1|1,0,0]=3 7726 B17R2.216 Clc1ccc(cc1)CNCc2ccccc2 34a_100000174871_100015291786 [0,1,0,0,0,1|1,0,0]=3 7727 B17R2.216 Clc1ccc(cc1)CNCc2ccccc2 34a_100015324214_100000694040 [0,1,0,0,0,1|1,0,0]=3 7728 B17R2.216 Clc1ccc(cc1)CNCc2ccccn2 207a_100000174871_100000209966 [0,1,0,0,0,1|2,0,0]=4 7729 B17R2.216 Clc1ccc(cc1)CNCc2ccccn2 2230a_100000174871_100000721315 [0,1,0,0,0,1|2,0,0]=4 7730 B17R2.216 Clc1ccc(cc1)CNCc2ccccn2 270004a_100000174871_100000209966 [0,1,0,0,0,1|2,0,0]=4 7731 B17R2.216 Clc1ccc(cc1)CNCc2ccccn2 270004a_100000210449_100000189385 [0,1,0,0,0,1|2,0,0]=4 7732 B17R2.216 Clc1ccc(cc1)CNCc2ccccn2 34a_100000174871_100000721315 [0,1,0,0,0,1|2,0,0]=4 7733 B17R2.216 Clc1ccc(cc1)CNCc2cccnc2 207a_100000174871_100000209961 [0,1,0,0,0,1|0,0,0]=2 7734 B17R2.216 Clc1ccc(cc1)CNCc2cccnc2 207a_100000210453_100000189385 [0,1,0,0,0,1|0,0,0]=2 7735 B17R2.216 Clc1ccc(cc1)CNCc2cccnc2 2230a_100000174871_100000741622 [0,1,0,0,0,1|0,0,0]=2 7736 B17R2.216 Clc1ccc(cc1)CNCc2cccnc2 270004a_100000174871_100000209961 [0,1,0,0,0,1|0,0,0]=2 7737 B17R2.216 Clc1ccc(cc1)CNCc2cccnc2 270004a_100000210453_100000189385 [0,1,0,0,0,1|0,0,0]=2 7738 B17R2.216 Clc1ccc(cc1)CNCc2cccnc2 34a_100000174871_100000733263 [0,1,0,0,0,1|0,0,0]=2 7739 B17R2.216 Clc1ccc(cc1)CNCc2cccnn2 2230a_100000174871_100016990269 [0,1,0,0,0,1|1,0,0]=3 7740 B17R2.216 Clc1ccc(cc1)CNCc2cccnn2 2230a_100159270163_100000694040 [0,1,0,0,0,1|1,0,0]=3 7741 B17R2.216 Clc1ccc(cc1)CNCc2cccnn2 34a_100000174871_100016990269 [0,1,0,0,0,1|1,0,0]=3 7742 B17R2.216 Clc1ccc(cc1)CNCc2ccncc2 207a_100000174871_100000186114 [0,1,0,0,0,1|2,0,0]=4 7743 B17R2.216 Clc1ccc(cc1)CNCc2ccncc2 2230a_100000174871_100015193705 [0,1,0,0,0,1|2,0,0]=4 7744 B17R2.216 Clc1ccc(cc1)CNCc2ccnnc2 270004a_100000174871_100011934578 [0,1,0,0,0,1|1,0,0]=3 7745 B17R2.216 Clc1ccc(cc1)CNCc2cnccn2 2230a_100000174871_100016995436 [0,1,0,0,0,1|1,0,0]=3 7746 B17R2.216 Clc1ccc(cc1)CNCc2cnccn2 270004a_100000174871_100000749867 [0,1,0,0,0,1|1,0,0]=3 7747 B17R2.216 Clc1ccc(cc1)CNCc2cnccn2 34a_100000174871_100016995436 [0,1,0,0,0,1|1,0,0]=3 7748 B17R2.216 Clc1ccc(cc1)CNCc2cncnc2 207a_100011243677_100000189385 [0,1,0,0,0,1|1,0,0]=3 7749 B17R2.216 Clc1ccc(cc1)CNCc2cncnc2 2230a_100000174871_100015196519 [0,1,0,0,0,1|1,0,0]=3 7750 B17R2.216 Clc1ccc(cc1)CNCc2cncnc2 2230a_100011243677_100000694040 [0,1,0,0,0,1|1,0,0]=3 7751 B17R2.216 Clc1ccc(cc1)CNCc2cncnc2 270004a_100000174871_100000749868 [0,1,0,0,0,1|1,0,0]=3 7752 B17R2.216 Clc1ccc(cc1)CNCc2cncnc2 270004a_100011243677_100000189385 [0,1,0,0,0,1|1,0,0]=3 7753 B17R2.216 Clc1ccc(cc1)CNCc2cncnc2 34a_100000174871_100015196519 [0,1,0,0,0,1|1,0,0]=3 7754 B17R2.216 Clc1ccc(cc1)COCc2ccccc2 34a_100000210790_100000694040 [0,1,0,0,0,1|2,0,0]=4 7755 B17R2.216 Clc1ccc(cc1)COCc2ccccc2 34a_100000211118_100015291786 [0,1,0,0,0,1|2,0,0]=4 7756 B17R2.216 Clc1ccc(cc1)COCc2ccccc2 7a_100000210790_100000187161 [0,1,0,0,0,1|2,0,0]=4 7757 B17R2.216 Clc1ccc(cc1)COCc2ccccc2 7a_100000211118_100000211182 [0,1,0,0,0,1|2,0,0]=4 7758 B17R2.216 Clc1ccc(cc1)COCc2cccnc2 34a_100000211118_100000733263 [0,1,0,0,0,1|1,0,0]=3 7759 B17R2.216 Clc1ccc(cc1)COCc2cccnc2 7a_100000211118_100000741622 [0,1,0,0,0,1|1,0,0]=3 7760 B17R2.216 Clc1ccc(cc1)COCc2cccnn2 34a_100000211118_100016990269 [0,1,0,0,0,1|2,0,0]=4 7761 B17R2.216 Clc1ccc(cc1)COCc2cccnn2 7a_100000211118_100016990269 [0,1,0,0,0,1|2,0,0]=4 7762 B17R2.216 Clc1ccc(cc1)COCc2cnccn2 34a_100000211118_100016995436 [0,1,0,0,0,1|2,0,0]=4 7763 B17R2.216 Clc1ccc(cc1)COCc2cnccn2 7a_100000211118_100016995436 [0,1,0,0,0,1|2,0,0]=4 7764 B17R2.216 Clc1ccc(cc1)COCc2cncnc2 34a_100000211118_100015196519 [0,1,0,0,0,1|2,0,0]=4 7765 B17R2.216 Clc1ccc(cc1)COCc2cncnc2 7a_100000211118_100015196519 [0,1,0,0,0,1|2,0,0]=4 7766 B17R2.216 Clc1ccc(cc1)CSCc2ccccc2 62a_100000187161_100015291786 [0,1,0,0,0,1|2,0,0]=4 7767 B17R2.216 Clc1ccc(cc1)CSCc2ccccc2 62a_100000211182_100000187161 [0,1,0,0,0,1|2,0,0]=4 7768 B17R2.216 Clc1ccc(cc1)CSCc2cccnc2 62a_100000187161_100000741622 [0,1,0,0,0,1|1,0,0]=3 7769 B17R2.216 Clc1ccc(cc1)CSCc2cccnc2 62a_100000741622_100000187161 [0,1,0,0,0,1|1,0,0]=3 7770 B17R2.216 Clc1ccc(cc1)CSCc2cccnn2 62a_100000187161_100016990269 [0,1,0,0,0,1|2,0,0]=4 7771 B17R2.216 Clc1ccc(cc1)CSCc2cccnn2 62a_100016990269_100000187161 [0,1,0,0,0,1|2,0,0]=4 7772 B17R2.216 Clc1ccc(cc1)CSCc2cnccn2 62a_100000187161_100016995436 [0,1,0,0,0,1|2,0,0]=4 7773 B17R2.216 Clc1ccc(cc1)CSCc2cnccn2 62a_100016995436_100000187161 [0,1,0,0,0,1|2,0,0]=4 7774 B17R2.216 Clc1ccc(cc1)CSCc2cncnc2 62a_100000187161_100015196519 [0,1,0,0,0,1|2,0,0]=4 7775 B17R2.216 Clc1ccc(cc1)CSCc2cncnc2 62a_100015196519_100000187161 [0,1,0,0,0,1|2,0,0]=4 7776 B17R2.216 Clc1ccc(cc1)NCCc2ccccc2 2230a_100000210052_100000765856 [0,1,0,0,0,1|1,0,0]=3 7777 B17R2.216 Clc1ccc(cc1)NCCc2ccccc2 34a_100000210052_100000765856 [0,1,0,0,0,1|1,0,0]=3 7778 B17R2.216 Clc1ccc(cc1)NCCc2ccccn2 2230a_100000210052_100015183660 [0,1,0,0,0,1|2,0,0]=4 7779 B17R2.216 Clc1ccc(cc1)NCCc2cccnc2 2230a_100000210052_200011713674 [0,1,0,0,0,1|0,0,0]=2 7780 B17R2.216 Clc1ccc(cc1)NCCc2ccncc2 2230a_100000210052_100000723409 [0,1,0,0,0,1|2,0,0]=4 7781 B17R2.216 Clc1ccc(cc1)NCSc2ccccc2 2230a_100000210052_100011218342 [0,1,0,0,0,1|1,0,0]=3 7782 B17R2.216 Clc1ccc(cc1)NN=Cc2ccccc2 4a_100000683521_100015611070 [0,1,0,0,0,1|1,0,1]=4 7783 B17R2.216 Clc1ccc(cc1)NN=Cc2cccnc2 4a_100000683521_100000209961 [0,1,0,0,0,1|0,0,1]=3 7784 B17R2.216 Clc1ccc(cc1)NN=Cc2ccnnc2 4a_100000683521_100011934578 [0,1,0,0,0,1|1,0,1]=4 7785 B17R2.216 Clc1ccc(cc1)NN=Cc2cnccn2 4a_100000683521_100000749867 [0,1,0,0,0,1|1,0,1]=4 7786 B17R2.216 Clc1ccc(cc1)NN=Cc2cncnc2 4a_100000683521_100000749868 [0,1,0,0,0,1|1,0,1]=4 7787 B17R2.216 Clc1ccc(cc1)OCCc2ccccc2 34a_100000210216_100000765856 [0,1,0,0,0,1|2,0,0]=4 7788 B17R2.216 Clc1ccc(cc1)OCCc2ccccc2 7a_100000210216_100000765856 [0,1,0,0,0,1|2,0,0]=4 7789 B17R2.216 Clc1ccc(cc1)OCCc2cccnc2 7a_100000210216_200011713674 [0,1,0,0,0,1|1,0,0]=3 7790 B17R2.216 Clc1ccc(cc1)SCCc2ccccc2 62a_100000755918_100011218657 [0,1,0,0,0,1|2,0,0]=4 7791 B17R2.216 Clc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000755918 [0,1,0,0,0,1|2,0,0]=4 7792 B17R2.216 Clc1ccc(cc1)SCCc2cccnc2 62a_100000755918_200011713674 [0,1,0,0,0,1|1,0,0]=3 7793 B17R2.216 Clc1ccc(cc1)SCCc2cccnc2 62a_200011713674_100000755918 [0,1,0,0,0,1|1,0,0]=3 7794 B17R2.216 Clc1ccc(cc1)SCSc2ccccc2 62a_100000755918_100011218342 [0,1,0,0,0,1|2,0,0]=4 7795 B17R2.216 Clc1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000755918 [0,1,0,0,0,1|2,0,0]=4 7796 B17R2.216 Clc1ccc(cn1)C=CCc2ccccc2 271570a_200016263579_100000034144 [0,1,0,0,0,1|1,0,1]=4 7797 B17R2.216 Clc1ccc(cn1)C=NNc2ccccc2 4a_100015195140_100000766901 [0,1,0,0,0,1|0,0,1]=3 7798 B17R2.216 Clc1ccc(cn1)C=NNc2ccccn2 4a_100000183288_100000766901 [0,1,0,0,0,1|1,0,1]=4 7799 B17R2.216 Clc1ccc(cn1)C=NNc2cccnc2 4a_100000728903_100000766901 [0,1,0,0,0,1|1,0,1]=4 7800 B17R2.216 Clc1ccc(cn1)C=NNc2ccncc2 4a_100000698918_100000766901 [0,1,0,0,0,1|1,0,1]=4 7801 B17R2.216 Clc1ccc(cn1)CNCc2ccccc2 207a_100000735879_100015611070 [0,1,0,0,0,1|0,0,0]=2 7802 B17R2.216 Clc1ccc(cn1)CNCc2ccccc2 2230a_100000735879_100015291786 [0,1,0,0,0,1|0,0,0]=2 7803 B17R2.216 Clc1ccc(cn1)CNCc2ccccc2 2230a_100015324214_100000735431 [0,1,0,0,0,1|0,0,0]=2 7804 B17R2.216 Clc1ccc(cn1)CNCc2ccccc2 270004a_100000735879_100015611070 [0,1,0,0,0,1|0,0,0]=2 7805 B17R2.216 Clc1ccc(cn1)CNCc2ccccc2 34a_100000735879_100015291786 [0,1,0,0,0,1|0,0,0]=2 7806 B17R2.216 Clc1ccc(cn1)CNCc2ccccc2 34a_100015324214_100000735431 [0,1,0,0,0,1|0,0,0]=2 7807 B17R2.216 Clc1ccc(cn1)CNCc2ccccn2 207a_100000735879_100000209966 [0,1,0,0,0,1|1,0,0]=3 7808 B17R2.216 Clc1ccc(cn1)CNCc2ccccn2 2230a_100000735879_100000721315 [0,1,0,0,0,1|1,0,0]=3 7809 B17R2.216 Clc1ccc(cn1)CNCc2ccccn2 270004a_100000735879_100000209966 [0,1,0,0,0,1|1,0,0]=3 7810 B17R2.216 Clc1ccc(cn1)CNCc2ccccn2 34a_100000735879_100000721315 [0,1,0,0,0,1|1,0,0]=3 7811 B17R2.216 Clc1ccc(cn1)CNCc2cccnc2 207a_100000735879_100000209961 [0,1,0,0,0,1|1,0,0]=3 7812 B17R2.216 Clc1ccc(cn1)CNCc2cccnc2 2230a_100000735879_100000741622 [0,1,0,0,0,1|1,0,0]=3 7813 B17R2.216 Clc1ccc(cn1)CNCc2cccnc2 270004a_100000735879_100000209961 [0,1,0,0,0,1|1,0,0]=3 7814 B17R2.216 Clc1ccc(cn1)CNCc2cccnc2 34a_100000735879_100000733263 [0,1,0,0,0,1|1,0,0]=3 7815 B17R2.216 Clc1ccc(cn1)CNCc2cccnn2 2230a_100000735879_100016990269 [0,1,0,0,0,1|2,0,0]=4 7816 B17R2.216 Clc1ccc(cn1)CNCc2cccnn2 2230a_100159270163_100000735431 [0,1,0,0,0,1|2,0,0]=4 7817 B17R2.216 Clc1ccc(cn1)CNCc2cccnn2 34a_100000735879_100016990269 [0,1,0,0,0,1|2,0,0]=4 7818 B17R2.216 Clc1ccc(cn1)CNCc2ccncc2 207a_100000735879_100000186114 [0,1,0,0,0,1|1,0,0]=3 7819 B17R2.216 Clc1ccc(cn1)CNCc2ccncc2 2230a_100000735879_100015193705 [0,1,0,0,0,1|1,0,0]=3 7820 B17R2.216 Clc1ccc(cn1)CNCc2ccnnc2 270004a_100000735879_100011934578 [0,1,0,0,0,1|2,0,0]=4 7821 B17R2.216 Clc1ccc(cn1)CNCc2cnccn2 2230a_100000735879_100016995436 [0,1,0,0,0,1|2,0,0]=4 7822 B17R2.216 Clc1ccc(cn1)CNCc2cnccn2 270004a_100000735879_100000749867 [0,1,0,0,0,1|2,0,0]=4 7823 B17R2.216 Clc1ccc(cn1)CNCc2cnccn2 34a_100000735879_100016995436 [0,1,0,0,0,1|2,0,0]=4 7824 B17R2.216 Clc1ccc(cn1)CNCc2cncnc2 2230a_100000735879_100015196519 [0,1,0,0,0,1|2,0,0]=4 7825 B17R2.216 Clc1ccc(cn1)CNCc2cncnc2 2230a_100011243677_100000735431 [0,1,0,0,0,1|2,0,0]=4 7826 B17R2.216 Clc1ccc(cn1)CNCc2cncnc2 270004a_100000735879_100000749868 [0,1,0,0,0,1|2,0,0]=4 7827 B17R2.216 Clc1ccc(cn1)CNCc2cncnc2 34a_100000735879_100015196519 [0,1,0,0,0,1|2,0,0]=4 7828 B17R2.216 Clc1ccc(cn1)CNCc2ncccn2 2230a_100000735879_100000703007 [0,1,0,0,0,1|2,0,0]=4 7829 B17R2.216 Clc1ccc(cn1)CNCc2ncccn2 270004a_100000735879_100011532527 [0,1,0,0,0,1|2,0,0]=4 7830 B17R2.216 Clc1ccc(cn1)CNCc2ncccn2 34a_100000735879_100000703007 [0,1,0,0,0,1|2,0,0]=4 7831 B17R2.216 Clc1ccc(cn1)COCc2ccccc2 34a_100000210790_100000735431 [0,1,0,0,0,1|1,0,0]=3 7832 B17R2.216 Clc1ccc(cn1)COCc2ccccc2 34a_100000755211_100015291786 [0,1,0,0,0,1|1,0,0]=3 7833 B17R2.216 Clc1ccc(cn1)COCc2ccccc2 7a_100000210790_100000735431 [0,1,0,0,0,1|1,0,0]=3 7834 B17R2.216 Clc1ccc(cn1)COCc2ccccc2 7a_100000755211_100000211182 [0,1,0,0,0,1|1,0,0]=3 7835 B17R2.216 Clc1ccc(cn1)COCc2ccccn2 34a_100000755211_100000721315 [0,1,0,0,0,1|2,0,0]=4 7836 B17R2.216 Clc1ccc(cn1)COCc2ccccn2 7a_100000755211_100000721315 [0,1,0,0,0,1|2,0,0]=4 7837 B17R2.216 Clc1ccc(cn1)COCc2cccnc2 34a_100000755211_100000733263 [0,1,0,0,0,1|2,0,0]=4 7838 B17R2.216 Clc1ccc(cn1)COCc2cccnc2 7a_100000755211_100000741622 [0,1,0,0,0,1|2,0,0]=4 7839 B17R2.216 Clc1ccc(cn1)COCc2ccncc2 7a_100000755211_100015193705 [0,1,0,0,0,1|2,0,0]=4 7840 B17R2.216 Clc1ccc(cn1)CSCc2ccccc2 62a_100000211182_100000735431 [0,1,0,0,0,1|1,0,0]=3 7841 B17R2.216 Clc1ccc(cn1)CSCc2ccccc2 62a_100000735431_100015291786 [0,1,0,0,0,1|1,0,0]=3 7842 B17R2.216 Clc1ccc(cn1)CSCc2ccccn2 62a_100000721315_100000735431 [0,1,0,0,0,1|2,0,0]=4 7843 B17R2.216 Clc1ccc(cn1)CSCc2ccccn2 62a_100000735431_100000721315 [0,1,0,0,0,1|2,0,0]=4 7844 B17R2.216 Clc1ccc(cn1)CSCc2cccnc2 62a_100000735431_100000741622 [0,1,0,0,0,1|2,0,0]=4 7845 B17R2.216 Clc1ccc(cn1)CSCc2cccnc2 62a_100000741622_100000735431 [0,1,0,0,0,1|2,0,0]=4 7846 B17R2.216 Clc1ccc(cn1)CSCc2ccncc2 62a_100000735431_100015193705 [0,1,0,0,0,1|2,0,0]=4 7847 B17R2.216 Clc1ccc(cn1)CSCc2ccncc2 62a_100015193705_100000735431 [0,1,0,0,0,1|2,0,0]=4 7848 B17R2.216 Clc1ccc(cn1)NN=Cc2ccccc2 4a_100000119030_100015611070 [0,1,0,0,0,1|1,0,1]=4 7849 B17R2.216 Clc1ccc(cn1)NN=Cc2cccnc2 4a_100000119030_100000209961 [0,1,0,0,0,1|1,0,1]=4 7850 B17R2.216 Clc1ccc(cn1)OCCc2ccccc2 34a_100000744096_100000765856 [0,1,0,0,0,1|1,0,0]=3 7851 B17R2.216 Clc1ccc(cn1)OCCc2ccccc2 7a_100000744096_100000765856 [0,1,0,0,0,1|1,0,0]=3 7852 B17R2.216 Clc1ccc(cn1)OCCc2ccccn2 7a_100000744096_100015183660 [0,1,0,0,0,1|2,0,0]=4 7853 B17R2.216 Clc1ccc(cn1)OCCc2cccnc2 7a_100000744096_200011713674 [0,1,0,0,0,1|2,0,0]=4 7854 B17R2.216 Clc1ccc(cn1)OCCc2ccncc2 7a_100000744096_100000723409 [0,1,0,0,0,1|2,0,0]=4 7855 B17R2.216 Clc1ccc(cn1)SCCc2ccccc2 62a_100000034144_100011218657 [0,1,0,0,0,1|1,0,0]=3 7856 B17R2.216 Clc1ccc(cn1)SCCc2ccccc2 62a_100000765856_100000034144 [0,1,0,0,0,1|1,0,0]=3 7857 B17R2.216 Clc1ccc(cn1)SCCc2ccccn2 62a_100000034144_100015183660 [0,1,0,0,0,1|2,0,0]=4 7858 B17R2.216 Clc1ccc(cn1)SCCc2ccccn2 62a_100015183660_100000034144 [0,1,0,0,0,1|2,0,0]=4 7859 B17R2.216 Clc1ccc(cn1)SCCc2cccnc2 62a_100000034144_200011713674 [0,1,0,0,0,1|2,0,0]=4 7860 B17R2.216 Clc1ccc(cn1)SCCc2cccnc2 62a_200011713674_100000034144 [0,1,0,0,0,1|2,0,0]=4 7861 B17R2.216 Clc1ccc(cn1)SCCc2ccncc2 62a_100000034144_100000723409 [0,1,0,0,0,1|2,0,0]=4 7862 B17R2.216 Clc1ccc(cn1)SCCc2ccncc2 62a_100000723409_100000034144 [0,1,0,0,0,1|2,0,0]=4 7863 B17R2.216 Clc1ccc(cn1)SCSc2ccccc2 62a_100000034144_100011218342 [0,1,0,0,0,1|1,0,0]=3 7864 B17R2.216 Clc1ccc(cn1)SCSc2ccccc2 62a_100011218342_100000034144 [0,1,0,0,0,1|1,0,0]=3 7865 B17R2.216 Clc1ccc(nc1)CNCc2ccccc2 207a_100015324214_100011361569 [0,1,0,0,0,1|2,0,0]=4 7866 B17R2.216 Clc1ccc(nc1)CNCc2ccccc2 2230a_100015324214_100012066911 [0,1,0,0,0,1|2,0,0]=4 7867 B17R2.216 Clc1ccc(nc1)CNCc2ccccc2 270004a_100000697193_100015611070 [0,1,0,0,0,1|2,0,0]=4 7868 B17R2.216 Clc1ccc(nc1)CNCc2ccccc2 270004a_100015324214_100011361569 [0,1,0,0,0,1|2,0,0]=4 7869 B17R2.216 Clc1ccc(nc1)CNCc2ccccc2 34a_100000697193_100015291786 [0,1,0,0,0,1|2,0,0]=4 7870 B17R2.216 Clc1ccc(nc1)CNCc2ccccc2 34a_100015324214_100012066911 [0,1,0,0,0,1|2,0,0]=4 7871 B17R2.216 Clc1ccc(nc1)CNCc2cccnc2 207a_100000210453_100011361569 [0,1,0,0,0,1|1,0,0]=3 7872 B17R2.216 Clc1ccc(nc1)CNCc2cccnc2 270004a_100000210453_100011361569 [0,1,0,0,0,1|1,0,0]=3 7873 B17R2.216 Clc1ccc(nc1)CNCc2cccnc2 270004a_100000697193_100000209961 [0,1,0,0,0,1|1,0,0]=3 7874 B17R2.216 Clc1ccc(nc1)CNCc2cccnc2 34a_100000697193_100000733263 [0,1,0,0,0,1|1,0,0]=3 7875 B17R2.216 Clc1ccc(nc1)CNCc2cccnn2 2230a_100159270163_100012066911 [0,1,0,0,0,1|2,0,0]=4 7876 B17R2.216 Clc1ccc(nc1)CNCc2cccnn2 34a_100000697193_100016990269 [0,1,0,0,0,1|2,0,0]=4 7877 B17R2.216 Clc1ccc(nc1)CNCc2ccnnc2 270004a_100000697193_100011934578 [0,1,0,0,0,1|2,0,0]=4 7878 B17R2.216 Clc1ccc(nc1)CNCc2cnccn2 270004a_100000697193_100000749867 [0,1,0,0,0,1|2,0,0]=4 7879 B17R2.216 Clc1ccc(nc1)CNCc2cnccn2 34a_100000697193_100016995436 [0,1,0,0,0,1|2,0,0]=4 7880 B17R2.216 Clc1ccc(nc1)CNCc2cncnc2 207a_100011243677_100011361569 [0,1,0,0,0,1|2,0,0]=4 7881 B17R2.216 Clc1ccc(nc1)CNCc2cncnc2 2230a_100011243677_100012066911 [0,1,0,0,0,1|2,0,0]=4 7882 B17R2.216 Clc1ccc(nc1)CNCc2cncnc2 270004a_100000697193_100000749868 [0,1,0,0,0,1|2,0,0]=4 7883 B17R2.216 Clc1ccc(nc1)CNCc2cncnc2 270004a_100011243677_100011361569 [0,1,0,0,0,1|2,0,0]=4 7884 B17R2.216 Clc1ccc(nc1)CNCc2cncnc2 34a_100000697193_100015196519 [0,1,0,0,0,1|2,0,0]=4 7885 B17R2.216 Clc1ccc(nc1)COCc2cccnc2 34a_100000703999_100000733263 [0,1,0,0,0,1|2,0,0]=4 7886 B17R2.216 Clc1ccc(nc1)CSCc2cccnc2 62a_100000741622_100000697101 [0,1,0,0,0,1|2,0,0]=4 7887 B17R2.216 Clc1ccc(nc1)CSCc2cccnc2 62a_100012066911_100000741622 [0,1,0,0,0,1|2,0,0]=4 7888 B17R2.216 Clc1ccc(nc1)NN=Cc2cccnc2 4a_100011206499_100000209961 [0,1,0,0,0,1|1,0,1]=4 7889 B17R2.216 Clc1ccc(nc1)SCCc2cccnc2 62a_100011356976_200011713674 [0,1,0,0,0,1|2,0,0]=4 7890 B17R2.216 Clc1ccc(nc1)SCCc2cccnc2 62a_200011713674_100011356976 [0,1,0,0,0,1|2,0,0]=4 7891 B17R2.216 Clc1ccc(nn1)C=NNc2ccccc2 4a_100015195140_100000044651 [0,1,0,0,0,1|1,0,1]=4 7892 B17R2.216 Clc1ccc(nn1)CNCc2ccccc2 2230a_100015324214_100016992710 [0,1,0,0,0,1|1,0,0]=3 7893 B17R2.216 Clc1ccc(nn1)CNCc2ccccc2 270004a_100015324214_100000044651 [0,1,0,0,0,1|1,0,0]=3 7894 B17R2.216 Clc1ccc(nn1)CNCc2ccccc2 34a_100015324214_100016992710 [0,1,0,0,0,1|1,0,0]=3 7895 B17R2.216 Clc1ccc(nn1)CNCc2ccccn2 270004a_100000210449_100000044651 [0,1,0,0,0,1|2,0,0]=4 7896 B17R2.216 Clc1ccc(nn1)CNCc2cccnc2 270004a_100000210453_100000044651 [0,1,0,0,0,1|2,0,0]=4 7897 B17R2.216 Clc1ccc(nn1)COCc2ccccc2 34a_100000210790_100016992710 [0,1,0,0,0,1|2,0,0]=4 7898 B17R2.216 Clc1ccc(nn1)COCc2ccccc2 7a_100000210790_100016992710 [0,1,0,0,0,1|2,0,0]=4 7899 B17R2.216 Clc1ccc(nn1)CSCc2ccccc2 62a_100000211182_100016992710 [0,1,0,0,0,1|2,0,0]=4 7900 B17R2.216 Clc1ccc(nn1)CSCc2ccccc2 62a_100016992710_100015291786 [0,1,0,0,0,1|2,0,0]=4 7901 B17R2.216 Clc1ccc(nn1)SCCc2ccccc2 62a_100000068654_100011218657 [0,1,0,0,0,1|2,0,0]=4 7902 B17R2.216 Clc1ccc(nn1)SCCc2ccccc2 62a_100000765856_100000068654 [0,1,0,0,0,1|2,0,0]=4 7903 B17R2.216 Clc1ccc(nn1)SCSc2ccccc2 62a_100000068654_100011218342 [0,1,0,0,0,1|2,0,0]=4 7904 B17R2.216 Clc1ccc(nn1)SCSc2ccccc2 62a_100011218342_100000068654 [0,1,0,0,0,1|2,0,0]=4 7905 B17R2.216 Clc1cnc(cn1)C=NNc2ccccc2 4a_100015195140_100012001714 [0,1,0,0,0,1|1,0,1]=4 7906 B17R2.216 Clc1cnc(cn1)CNCc2ccccc2 270004a_100015324214_100012001714 [0,1,0,0,0,1|1,0,0]=3 7907 B17R2.216 Clc1cnc(cn1)CNCc2ccccn2 270004a_100000210449_100012001714 [0,1,0,0,0,1|2,0,0]=4 7908 B17R2.216 Clc1cnc(cn1)CNCc2cccnc2 270004a_100000210453_100012001714 [0,1,0,0,0,1|2,0,0]=4 7909 B17R2.216 Clc1cnc(cn1)COCc2ccccc2 34a_100012002382_100015291786 [0,1,0,0,0,1|2,0,0]=4 7910 B17R2.216 Clc1cnc(cn1)OCCc2ccccc2 34a_100015839800_100000765856 [0,1,0,0,0,1|2,0,0]=4 7911 B17R2.216 Clc1cnc(cn1)SCCc2ccccc2 62a_100000765856_100010214907 [0,1,0,0,0,1|2,0,0]=4 7912 B17R2.216 Clc1cnc(cn1)SCCc2ccccc2 62a_100010214907_100011218657 [0,1,0,0,0,1|2,0,0]=4 7913 B17R2.216 Clc1cnc(cn1)SCSc2ccccc2 62a_100010214907_100011218342 [0,1,0,0,0,1|2,0,0]=4 7914 B17R2.216 Clc1cnc(cn1)SCSc2ccccc2 62a_100011218342_100010214907 [0,1,0,0,0,1|2,0,0]=4 7915 B17R2.216 Clc1cnc(nc1)NCCc2cccnc2 27a_100000736294_100011356929 [0,1,0,0,0,1|2,0,0]=4 7916 B17R2.216 Clc1ncc(cn1)COCc2ccccc2 34a_100009855073_100015291786 [0,1,0,0,0,1|2,0,0]=4 7917 B17R2.216 Clc1ncc(cn1)COCc2ccccc2 7a_100009855073_100000211182 [0,1,0,0,0,1|2,0,0]=4 7918 B17R2.216 Clc1ncc(cn1)OCCc2ccccc2 34a_100000092845_100000765856 [0,1,0,0,0,1|2,0,0]=4 7919 B17R2.216 Clc1ncc(cn1)OCCc2ccccc2 7a_100000092845_100000765856 [0,1,0,0,0,1|2,0,0]=4 7920 B17R2.216 Clc1ncc(cn1)SCCc2ccccc2 62a_100000059775_100011218657 [0,1,0,0,0,1|2,0,0]=4 7921 B17R2.216 Clc1ncc(cn1)SCCc2ccccc2 62a_100000765856_100000059775 [0,1,0,0,0,1|2,0,0]=4 7922 B17R2.216 Clc1ncc(cn1)SCSc2ccccc2 62a_100000059775_100011218342 [0,1,0,0,0,1|2,0,0]=4 7923 B17R2.216 Clc1ncc(cn1)SCSc2ccccc2 62a_100011218342_100000059775 [0,1,0,0,0,1|2,0,0]=4 7924 B17R2.216 Fc1ccc(cc1)C=CCc2ccccc2 271570a_200016263579_100000211213 [0,1,0,0,0,1|2,0,0]=4 7925 B17R2.216 Fc1ccc(cc1)C=NNc2ccccc2 4a_100015195140_100000210084 [0,1,0,0,0,1|1,0,1]=4 7926 B17R2.216 Fc1ccc(cc1)C=NNc2cccnc2 4a_100000728903_100000210084 [0,1,0,0,0,1|1,0,1]=4 7927 B17R2.216 Fc1ccc(cc1)CCNc2ccccc2 34a_100000106764_100011217392 [0,1,0,0,0,1|1,0,0]=3 7928 B17R2.216 Fc1ccc(cc1)CCNc2cccnn2 27a_100000199005_100016991348 [0,1,0,0,0,1|2,0,0]=4 7929 B17R2.216 Fc1ccc(cc1)CCNc2cnccn2 27a_100000199005_100000211759 [0,1,0,0,0,1|2,0,0]=4 7930 B17R2.216 Fc1ccc(cc1)CCOc2ccccc2 34a_100000210340_100011217392 [0,1,0,0,0,1|2,0,0]=4 7931 B17R2.216 Fc1ccc(cc1)CCOc2ccccc2 7a_100000210340_100011217392 [0,1,0,0,0,1|2,0,0]=4 7932 B17R2.216 Fc1ccc(cc1)CCOc2cccnc2 34a_100000210849_100011217392 [0,1,0,0,0,1|1,0,0]=3 7933 B17R2.216 Fc1ccc(cc1)CCOc2cccnc2 7a_100000210849_100011217392 [0,1,0,0,0,1|1,0,0]=3 7934 B17R2.216 Fc1ccc(cc1)CCOc2ccnnc2 34a_100015204005_100011217392 [0,1,0,0,0,1|2,0,0]=4 7935 B17R2.216 Fc1ccc(cc1)CCOc2cncnc2 7a_100000754086_100011217392 [0,1,0,0,0,1|2,0,0]=4 7936 B17R2.216 Fc1ccc(cc1)CCSc2ccccc2 62a_100000719477_100011217392 [0,1,0,0,0,1|2,0,0]=4 7937 B17R2.216 Fc1ccc(cc1)CCSc2ccccc2 62a_100011217392_100000041952 [0,1,0,0,0,1|2,0,0]=4 7938 B17R2.216 Fc1ccc(cc1)CCSc2cccnc2 62a_100000210063_100011217392 [0,1,0,0,0,1|1,0,0]=3 7939 B17R2.216 Fc1ccc(cc1)CCSc2cccnc2 62a_100011217392_100000210063 [0,1,0,0,0,1|1,0,0]=3 7940 B17R2.216 Fc1ccc(cc1)CCSc2cccnn2 62a_100011217392_100016991348 [0,1,0,0,0,1|2,0,0]=4 7941 B17R2.216 Fc1ccc(cc1)CCSc2cccnn2 62a_100016991348_100011217392 [0,1,0,0,0,1|2,0,0]=4 7942 B17R2.216 Fc1ccc(cc1)CCSc2ccnnc2 62a_100000732662_100011217392 [0,1,0,0,0,1|2,0,0]=4 7943 B17R2.216 Fc1ccc(cc1)CCSc2ccnnc2 62a_100011217392_100000732662 [0,1,0,0,0,1|2,0,0]=4 7944 B17R2.216 Fc1ccc(cc1)CCSc2cnccn2 62a_100000211759_100011217392 [0,1,0,0,0,1|2,0,0]=4 7945 B17R2.216 Fc1ccc(cc1)CCSc2cnccn2 62a_100011217392_100000211759 [0,1,0,0,0,1|2,0,0]=4 7946 B17R2.216 Fc1ccc(cc1)CCSc2cncnc2 62a_100011206942_100011217392 [0,1,0,0,0,1|2,0,0]=4 7947 B17R2.216 Fc1ccc(cc1)CCSc2cncnc2 62a_100011217392_100011206942 [0,1,0,0,0,1|2,0,0]=4 7948 B17R2.216 Fc1ccc(cc1)CNCc2ccccc2 207a_100000174882_100015611070 [0,1,0,0,0,1|1,0,0]=3 7949 B17R2.216 Fc1ccc(cc1)CNCc2ccccc2 207a_100015324214_100000210084 [0,1,0,0,0,1|1,0,0]=3 7950 B17R2.216 Fc1ccc(cc1)CNCc2ccccc2 2230a_100000174882_100015291786 [0,1,0,0,0,1|1,0,0]=3 7951 B17R2.216 Fc1ccc(cc1)CNCc2ccccc2 2230a_100015324214_100000198546 [0,1,0,0,0,1|1,0,0]=3 7952 B17R2.216 Fc1ccc(cc1)CNCc2ccccc2 270004a_100000174882_100015611070 [0,1,0,0,0,1|1,0,0]=3 7953 B17R2.216 Fc1ccc(cc1)CNCc2ccccc2 270004a_100015324214_100000210084 [0,1,0,0,0,1|1,0,0]=3 7954 B17R2.216 Fc1ccc(cc1)CNCc2ccccc2 34a_100000174882_100015291786 [0,1,0,0,0,1|1,0,0]=3 7955 B17R2.216 Fc1ccc(cc1)CNCc2ccccc2 34a_100015324214_100000198546 [0,1,0,0,0,1|1,0,0]=3 7956 B17R2.216 Fc1ccc(cc1)CNCc2ccccn2 207a_100000174882_100000209966 [0,1,0,0,0,1|2,0,0]=4 7957 B17R2.216 Fc1ccc(cc1)CNCc2ccccn2 2230a_100000174882_100000721315 [0,1,0,0,0,1|2,0,0]=4 7958 B17R2.216 Fc1ccc(cc1)CNCc2ccccn2 270004a_100000174882_100000209966 [0,1,0,0,0,1|2,0,0]=4 7959 B17R2.216 Fc1ccc(cc1)CNCc2ccccn2 270004a_100000210449_100000210084 [0,1,0,0,0,1|2,0,0]=4 7960 B17R2.216 Fc1ccc(cc1)CNCc2ccccn2 34a_100000174882_100000721315 [0,1,0,0,0,1|2,0,0]=4 7961 B17R2.216 Fc1ccc(cc1)CNCc2cccnc2 207a_100000174882_100000209961 [0,1,0,0,0,1|0,0,0]=2 7962 B17R2.216 Fc1ccc(cc1)CNCc2cccnc2 207a_100000210453_100000210084 [0,1,0,0,0,1|0,0,0]=2 7963 B17R2.216 Fc1ccc(cc1)CNCc2cccnc2 2230a_100000174882_100000741622 [0,1,0,0,0,1|0,0,0]=2 7964 B17R2.216 Fc1ccc(cc1)CNCc2cccnc2 270004a_100000174882_100000209961 [0,1,0,0,0,1|0,0,0]=2 7965 B17R2.216 Fc1ccc(cc1)CNCc2cccnc2 270004a_100000210453_100000210084 [0,1,0,0,0,1|0,0,0]=2 7966 B17R2.216 Fc1ccc(cc1)CNCc2cccnc2 34a_100000174882_100000733263 [0,1,0,0,0,1|0,0,0]=2 7967 B17R2.216 Fc1ccc(cc1)CNCc2cccnn2 2230a_100000174882_100016990269 [0,1,0,0,0,1|1,0,0]=3 7968 B17R2.216 Fc1ccc(cc1)CNCc2cccnn2 2230a_100159270163_100000198546 [0,1,0,0,0,1|1,0,0]=3 7969 B17R2.216 Fc1ccc(cc1)CNCc2cccnn2 34a_100000174882_100016990269 [0,1,0,0,0,1|1,0,0]=3 7970 B17R2.216 Fc1ccc(cc1)CNCc2ccncc2 207a_100000174882_100000186114 [0,1,0,0,0,1|2,0,0]=4 7971 B17R2.216 Fc1ccc(cc1)CNCc2ccncc2 2230a_100000174882_100015193705 [0,1,0,0,0,1|2,0,0]=4 7972 B17R2.216 Fc1ccc(cc1)CNCc2ccnnc2 270004a_100000174882_100011934578 [0,1,0,0,0,1|1,0,0]=3 7973 B17R2.216 Fc1ccc(cc1)CNCc2cnccn2 2230a_100000174882_100016995436 [0,1,0,0,0,1|1,0,0]=3 7974 B17R2.216 Fc1ccc(cc1)CNCc2cnccn2 270004a_100000174882_100000749867 [0,1,0,0,0,1|1,0,0]=3 7975 B17R2.216 Fc1ccc(cc1)CNCc2cnccn2 34a_100000174882_100016995436 [0,1,0,0,0,1|1,0,0]=3 7976 B17R2.216 Fc1ccc(cc1)CNCc2cncnc2 207a_100011243677_100000210084 [0,1,0,0,0,1|1,0,0]=3 7977 B17R2.216 Fc1ccc(cc1)CNCc2cncnc2 2230a_100000174882_100015196519 [0,1,0,0,0,1|1,0,0]=3 7978 B17R2.216 Fc1ccc(cc1)CNCc2cncnc2 2230a_100011243677_100000198546 [0,1,0,0,0,1|1,0,0]=3 7979 B17R2.216 Fc1ccc(cc1)CNCc2cncnc2 270004a_100000174882_100000749868 [0,1,0,0,0,1|1,0,0]=3 7980 B17R2.216 Fc1ccc(cc1)CNCc2cncnc2 270004a_100011243677_100000210084 [0,1,0,0,0,1|1,0,0]=3 7981 B17R2.216 Fc1ccc(cc1)CNCc2cncnc2 34a_100000174882_100015196519 [0,1,0,0,0,1|1,0,0]=3 7982 B17R2.216 Fc1ccc(cc1)COCc2ccccc2 34a_100000210790_100000198546 [0,1,0,0,0,1|2,0,0]=4 7983 B17R2.216 Fc1ccc(cc1)COCc2ccccc2 34a_100000210977_100015291786 [0,1,0,0,0,1|2,0,0]=4 7984 B17R2.216 Fc1ccc(cc1)COCc2ccccc2 7a_100000210790_100000198546 [0,1,0,0,0,1|2,0,0]=4 7985 B17R2.216 Fc1ccc(cc1)COCc2ccccc2 7a_100000210977_100000211182 [0,1,0,0,0,1|2,0,0]=4 7986 B17R2.216 Fc1ccc(cc1)COCc2cccnc2 34a_100000210977_100000733263 [0,1,0,0,0,1|1,0,0]=3 7987 B17R2.216 Fc1ccc(cc1)COCc2cccnc2 7a_100000210977_100000741622 [0,1,0,0,0,1|1,0,0]=3 7988 B17R2.216 Fc1ccc(cc1)COCc2cccnn2 34a_100000210977_100016990269 [0,1,0,0,0,1|2,0,0]=4 7989 B17R2.216 Fc1ccc(cc1)COCc2cccnn2 7a_100000210977_100016990269 [0,1,0,0,0,1|2,0,0]=4 7990 B17R2.216 Fc1ccc(cc1)COCc2cnccn2 34a_100000210977_100016995436 [0,1,0,0,0,1|2,0,0]=4 7991 B17R2.216 Fc1ccc(cc1)COCc2cnccn2 7a_100000210977_100016995436 [0,1,0,0,0,1|2,0,0]=4 7992 B17R2.216 Fc1ccc(cc1)COCc2cncnc2 34a_100000210977_100015196519 [0,1,0,0,0,1|2,0,0]=4 7993 B17R2.216 Fc1ccc(cc1)COCc2cncnc2 7a_100000210977_100015196519 [0,1,0,0,0,1|2,0,0]=4 7994 B17R2.216 Fc1ccc(cc1)CSCc2ccccc2 62a_100000198546_100015291786 [0,1,0,0,0,1|2,0,0]=4 7995 B17R2.216 Fc1ccc(cc1)CSCc2ccccc2 62a_100000211182_100000187164 [0,1,0,0,0,1|2,0,0]=4 7996 B17R2.216 Fc1ccc(cc1)CSCc2cccnc2 62a_100000198546_100000741622 [0,1,0,0,0,1|1,0,0]=3 7997 B17R2.216 Fc1ccc(cc1)CSCc2cccnc2 62a_100000741622_100000187164 [0,1,0,0,0,1|1,0,0]=3 7998 B17R2.216 Fc1ccc(cc1)CSCc2cccnn2 62a_100000198546_100016990269 [0,1,0,0,0,1|2,0,0]=4 7999 B17R2.216 Fc1ccc(cc1)CSCc2cccnn2 62a_100016990269_100000187164 [0,1,0,0,0,1|2,0,0]=4 8000 B17R2.216 Fc1ccc(cc1)CSCc2cnccn2 62a_100000198546_100016995436 [0,1,0,0,0,1|2,0,0]=4 8001 B17R2.216 Fc1ccc(cc1)CSCc2cnccn2 62a_100016995436_100000187164 [0,1,0,0,0,1|2,0,0]=4 8002 B17R2.216 Fc1ccc(cc1)CSCc2cncnc2 62a_100000198546_100015196519 [0,1,0,0,0,1|2,0,0]=4 8003 B17R2.216 Fc1ccc(cc1)CSCc2cncnc2 62a_100015196519_100000187164 [0,1,0,0,0,1|2,0,0]=4 8004 B17R2.216 Fc1ccc(cc1)NCCc2ccccc2 34a_100000185862_100000765856 [0,1,0,0,0,1|1,0,0]=3 8005 B17R2.216 Fc1ccc(cc1)NN=Cc2ccccc2 4a_100000728448_100015611070 [0,1,0,0,0,1|1,0,1]=4 8006 B17R2.216 Fc1ccc(cc1)NN=Cc2cccnc2 4a_100000728448_100000209961 [0,1,0,0,0,1|0,0,1]=3 8007 B17R2.216 Fc1ccc(cc1)NN=Cc2ccnnc2 4a_100000728448_100011934578 [0,1,0,0,0,1|1,0,1]=4 8008 B17R2.216 Fc1ccc(cc1)NN=Cc2cnccn2 4a_100000728448_100000749867 [0,1,0,0,0,1|1,0,1]=4 8009 B17R2.216 Fc1ccc(cc1)NN=Cc2cncnc2 4a_100000728448_100000749868 [0,1,0,0,0,1|1,0,1]=4 8010 B17R2.216 Fc1ccc(cc1)OCCc2ccccc2 34a_100000210339_100000765856 [0,1,0,0,0,1|2,0,0]=4 8011 B17R2.216 Fc1ccc(cc1)SCCc2ccccc2 62a_100000211213_100011218657 [0,1,0,0,0,1|2,0,0]=4 8012 B17R2.216 Fc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000211213 [0,1,0,0,0,1|2,0,0]=4 8013 B17R2.216 Fc1ccc(cc1)SCCc2cccnc2 62a_100000211213_200011713674 [0,1,0,0,0,1|1,0,0]=3 8014 B17R2.216 Fc1ccc(cc1)SCCc2cccnc2 62a_200011713674_100000211213 [0,1,0,0,0,1|1,0,0]=3 8015 B17R2.216 Fc1ccc(cc1)SCSc2ccccc2 62a_100000211213_100011218342 [0,1,0,0,0,1|2,0,0]=4 8016 B17R2.216 Fc1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000211213 [0,1,0,0,0,1|2,0,0]=4 8017 B17R2.216 Fc1ccc(cn1)C=CCc2ccccc2 271570a_200016263579_100000748661 [0,1,0,0,0,1|1,0,1]=4 8018 B17R2.216 Fc1ccc(cn1)C=NNc2ccccc2 4a_100015195140_100000068566 [0,1,0,0,0,1|0,0,1]=3 8019 B17R2.216 Fc1ccc(cn1)C=NNc2ccccn2 4a_100000183288_100000068566 [0,1,0,0,0,1|1,0,1]=4 8020 B17R2.216 Fc1ccc(cn1)C=NNc2cccnc2 4a_100000728903_100000068566 [0,1,0,0,0,1|1,0,1]=4 8021 B17R2.216 Fc1ccc(cn1)C=NNc2ccncc2 4a_100000698918_100000068566 [0,1,0,0,0,1|1,0,1]=4 8022 B17R2.216 Fc1ccc(cn1)CNCc2ccccc2 2230a_100000101913_100015291786 [0,1,0,0,0,1|0,0,0]=2 8023 B17R2.216 Fc1ccc(cn1)CNCc2ccccc2 2230a_100015324214_100009820150 [0,1,0,0,0,1|0,0,0]=2 8024 B17R2.216 Fc1ccc(cn1)CNCc2ccccc2 270004a_100000101913_100015611070 [0,1,0,0,0,1|0,0,0]=2 8025 B17R2.216 Fc1ccc(cn1)CNCc2ccccc2 34a_100000101913_100015291786 [0,1,0,0,0,1|0,0,0]=2 8026 B17R2.216 Fc1ccc(cn1)CNCc2ccccc2 34a_100015324214_100000099788 [0,1,0,0,0,1|0,0,0]=2 8027 B17R2.216 Fc1ccc(cn1)CNCc2ccccn2 2230a_100000101913_100000721315 [0,1,0,0,0,1|1,0,0]=3 8028 B17R2.216 Fc1ccc(cn1)CNCc2ccccn2 270004a_100000101913_100000209966 [0,1,0,0,0,1|1,0,0]=3 8029 B17R2.216 Fc1ccc(cn1)CNCc2ccccn2 34a_100000101913_100000721315 [0,1,0,0,0,1|1,0,0]=3 8030 B17R2.216 Fc1ccc(cn1)CNCc2cccnc2 2230a_100000101913_100000741622 [0,1,0,0,0,1|1,0,0]=3 8031 B17R2.216 Fc1ccc(cn1)CNCc2cccnc2 270004a_100000101913_100000209961 [0,1,0,0,0,1|1,0,0]=3 8032 B17R2.216 Fc1ccc(cn1)CNCc2cccnc2 34a_100000101913_100000733263 [0,1,0,0,0,1|1,0,0]=3 8033 B17R2.216 Fc1ccc(cn1)CNCc2cccnn2 2230a_100000101913_100016990269 [0,1,0,0,0,1|2,0,0]=4 8034 B17R2.216 Fc1ccc(cn1)CNCc2cccnn2 2230a_100159270163_100009820150 [0,1,0,0,0,1|2,0,0]=4 8035 B17R2.216 Fc1ccc(cn1)CNCc2cccnn2 34a_100000101913_100016990269 [0,1,0,0,0,1|2,0,0]=4 8036 B17R2.216 Fc1ccc(cn1)CNCc2ccncc2 2230a_100000101913_100015193705 [0,1,0,0,0,1|1,0,0]=3 8037 B17R2.216 Fc1ccc(cn1)CNCc2ccnnc2 270004a_100000101913_100011934578 [0,1,0,0,0,1|2,0,0]=4 8038 B17R2.216 Fc1ccc(cn1)CNCc2cnccn2 2230a_100000101913_100016995436 [0,1,0,0,0,1|2,0,0]=4 8039 B17R2.216 Fc1ccc(cn1)CNCc2cnccn2 270004a_100000101913_100000749867 [0,1,0,0,0,1|2,0,0]=4 8040 B17R2.216 Fc1ccc(cn1)CNCc2cnccn2 34a_100000101913_100016995436 [0,1,0,0,0,1|2,0,0]=4 8041 B17R2.216 Fc1ccc(cn1)CNCc2cncnc2 2230a_100000101913_100015196519 [0,1,0,0,0,1|2,0,0]=4 8042 B17R2.216 Fc1ccc(cn1)CNCc2cncnc2 2230a_100011243677_100009820150 [0,1,0,0,0,1|2,0,0]=4 8043 B17R2.216 Fc1ccc(cn1)CNCc2cncnc2 270004a_100000101913_100000749868 [0,1,0,0,0,1|2,0,0]=4 8044 B17R2.216 Fc1ccc(cn1)CNCc2cncnc2 34a_100000101913_100015196519 [0,1,0,0,0,1|2,0,0]=4 8045 B17R2.216 Fc1ccc(cn1)CNCc2ncccn2 2230a_100000101913_100000703007 [0,1,0,0,0,1|2,0,0]=4 8046 B17R2.216 Fc1ccc(cn1)CNCc2ncccn2 270004a_100000101913_100011532527 [0,1,0,0,0,1|2,0,0]=4 8047 B17R2.216 Fc1ccc(cn1)CNCc2ncccn2 34a_100000101913_100000703007 [0,1,0,0,0,1|2,0,0]=4 8048 B17R2.216 Fc1ccc(cn1)COCc2ccccc2 34a_100000079959_100015291786 [0,1,0,0,0,1|1,0,0]=3 8049 B17R2.216 Fc1ccc(cn1)COCc2ccccc2 34a_100000210790_100000099788 [0,1,0,0,0,1|1,0,0]=3 8050 B17R2.216 Fc1ccc(cn1)COCc2ccccc2 7a_100000210790_100009820150 [0,1,0,0,0,1|1,0,0]=3 8051 B17R2.216 Fc1ccc(cn1)COCc2ccccn2 34a_100000079959_100000721315 [0,1,0,0,0,1|2,0,0]=4 8052 B17R2.216 Fc1ccc(cn1)COCc2cccnc2 34a_100000079959_100000733263 [0,1,0,0,0,1|2,0,0]=4 8053 B17R2.216 Fc1ccc(cn1)CSCc2ccccc2 62a_100000211182_100000099788 [0,1,0,0,0,1|1,0,0]=3 8054 B17R2.216 Fc1ccc(cn1)CSCc2ccccc2 62a_100009820150_100015291786 [0,1,0,0,0,1|1,0,0]=3 8055 B17R2.216 Fc1ccc(cn1)CSCc2ccccn2 62a_100000721315_100000099788 [0,1,0,0,0,1|2,0,0]=4 8056 B17R2.216 Fc1ccc(cn1)CSCc2ccccn2 62a_100009820150_100000721315 [0,1,0,0,0,1|2,0,0]=4 8057 B17R2.216 Fc1ccc(cn1)CSCc2cccnc2 62a_100000741622_100000099788 [0,1,0,0,0,1|2,0,0]=4 8058 B17R2.216 Fc1ccc(cn1)CSCc2cccnc2 62a_100009820150_100000741622 [0,1,0,0,0,1|2,0,0]=4 8059 B17R2.216 Fc1ccc(cn1)CSCc2ccncc2 62a_100009820150_100015193705 [0,1,0,0,0,1|2,0,0]=4 8060 B17R2.216 Fc1ccc(cn1)CSCc2ccncc2 62a_100015193705_100000099788 [0,1,0,0,0,1|2,0,0]=4 8061 B17R2.216 Fc1ccc(cn1)NN=Cc2ccccc2 4a_100000120849_100015611070 [0,1,0,0,0,1|1,0,1]=4 8062 B17R2.216 Fc1ccc(cn1)NN=Cc2cccnc2 4a_100000120849_100000209961 [0,1,0,0,0,1|1,0,1]=4 8063 B17R2.216 Fc1ccc(cn1)OCCc2ccccc2 34a_100000688820_100000765856 [0,1,0,0,0,1|1,0,0]=3 8064 B17R2.216 Fc1ccc(cn1)OCCc2ccccc2 7a_100000688820_100000765856 [0,1,0,0,0,1|1,0,0]=3 8065 B17R2.216 Fc1ccc(cn1)OCCc2ccccn2 7a_100000688820_100015183660 [0,1,0,0,0,1|2,0,0]=4 8066 B17R2.216 Fc1ccc(cn1)OCCc2cccnc2 7a_100000688820_200011713674 [0,1,0,0,0,1|2,0,0]=4 8067 B17R2.216 Fc1ccc(cn1)OCCc2ccncc2 7a_100000688820_100000723409 [0,1,0,0,0,1|2,0,0]=4 8068 B17R2.216 Fc1ccc(cn1)SCCc2ccccc2 62a_100000042367_100011218657 [0,1,0,0,0,1|1,0,0]=3 8069 B17R2.216 Fc1ccc(cn1)SCCc2ccccc2 62a_100000765856_100000042367 [0,1,0,0,0,1|1,0,0]=3 8070 B17R2.216 Fc1ccc(cn1)SCCc2ccccn2 62a_100000042367_100015183660 [0,1,0,0,0,1|2,0,0]=4 8071 B17R2.216 Fc1ccc(cn1)SCCc2ccccn2 62a_100015183660_100000042367 [0,1,0,0,0,1|2,0,0]=4 8072 B17R2.216 Fc1ccc(cn1)SCCc2cccnc2 62a_100000042367_200011713674 [0,1,0,0,0,1|2,0,0]=4 8073 B17R2.216 Fc1ccc(cn1)SCCc2cccnc2 62a_200011713674_100000042367 [0,1,0,0,0,1|2,0,0]=4 8074 B17R2.216 Fc1ccc(cn1)SCCc2ccncc2 62a_100000042367_100000723409 [0,1,0,0,0,1|2,0,0]=4 8075 B17R2.216 Fc1ccc(cn1)SCCc2ccncc2 62a_100000723409_100000042367 [0,1,0,0,0,1|2,0,0]=4 8076 B17R2.216 Fc1ccc(cn1)SCSc2ccccc2 62a_100000042367_100011218342 [0,1,0,0,0,1|1,0,0]=3 8077 B17R2.216 Fc1ccc(cn1)SCSc2ccccc2 62a_100011218342_100000042367 [0,1,0,0,0,1|1,0,0]=3 8078 B17R2.216 Fc1ccc(nc1)CNCc2ccccc2 207a_100015324214_100011934744 [0,1,0,0,0,1|2,0,0]=4 8079 B17R2.216 Fc1ccc(nc1)CNCc2ccccc2 2230a_100015324214_100000703193 [0,1,0,0,0,1|2,0,0]=4 8080 B17R2.216 Fc1ccc(nc1)CNCc2ccccc2 270004a_100015324214_100011934744 [0,1,0,0,0,1|2,0,0]=4 8081 B17R2.216 Fc1ccc(nc1)CNCc2ccccc2 34a_100015324214_100000703193 [0,1,0,0,0,1|2,0,0]=4 8082 B17R2.216 Fc1ccc(nc1)CNCc2ccccc2 34a_100020620131_100015291786 [0,1,0,0,0,1|2,0,0]=4 8083 B17R2.216 Fc1ccc(nc1)CNCc2cccnc2 207a_100000210453_100011934744 [0,1,0,0,0,1|1,0,0]=3 8084 B17R2.216 Fc1ccc(nc1)CNCc2cccnc2 270004a_100000210453_100011934744 [0,1,0,0,0,1|1,0,0]=3 8085 B17R2.216 Fc1ccc(nc1)CNCc2cccnc2 34a_100020620131_100000733263 [0,1,0,0,0,1|1,0,0]=3 8086 B17R2.216 Fc1ccc(nc1)CNCc2cccnn2 2230a_100159270163_100000703193 [0,1,0,0,0,1|2,0,0]=4 8087 B17R2.216 Fc1ccc(nc1)CNCc2cccnn2 34a_100020620131_100016990269 [0,1,0,0,0,1|2,0,0]=4 8088 B17R2.216 Fc1ccc(nc1)CNCc2cnccn2 34a_100020620131_100016995436 [0,1,0,0,0,1|2,0,0]=4 8089 B17R2.216 Fc1ccc(nc1)CNCc2cncnc2 207a_100011243677_100011934744 [0,1,0,0,0,1|2,0,0]=4 8090 B17R2.216 Fc1ccc(nc1)CNCc2cncnc2 2230a_100011243677_100000703193 [0,1,0,0,0,1|2,0,0]=4 8091 B17R2.216 Fc1ccc(nc1)CNCc2cncnc2 270004a_100011243677_100011934744 [0,1,0,0,0,1|2,0,0]=4 8092 B17R2.216 Fc1ccc(nc1)CNCc2cncnc2 34a_100020620131_100015196519 [0,1,0,0,0,1|2,0,0]=4 8093 B17R2.216 Fc1ccc(nc1)COCc2cccnc2 34a_100011999454_100000733263 [0,1,0,0,0,1|2,0,0]=4 8094 B17R2.216 Fc1ccc(nc1)CSCc2cccnc2 62a_100000703193_100000741622 [0,1,0,0,0,1|2,0,0]=4 8095 B17R2.216 Fc1ccc(nc1)CSCc2cccnc2 62a_100000741622_100000703193 [0,1,0,0,0,1|2,0,0]=4 8096 B17R2.216 Fc1ccc(nc1)NN=Cc2cccnc2 4a_100000753838_100000209961 [0,1,0,0,0,1|1,0,1]=4 8097 B17R2.216 Fc1ccc(nc1)SCCc2cccnc2 62a_100000744514_200011713674 [0,1,0,0,0,1|2,0,0]=4 8098 B17R2.216 Fc1ccc(nc1)SCCc2cccnc2 62a_200011713674_100000744514 [0,1,0,0,0,1|2,0,0]=4 8099 B17R2.216 Fc1cnc(cn1)NCCc2ccccc2 27a_100000106460_100009856528 [0,1,0,0,0,1|2,0,0]=4 8100 B17R2.216 Fc1cnc(cn1)NCCc2cccnc2 27a_100000736294_100009856528 [0,1,0,0,0,1|2,0,0]=4 8101 B17R2.216 Fc1cnc(cn1)SCCc2ccccc2 62a_100000765856_100009856528 [0,1,0,0,0,1|2,0,0]=4 8102 B17R2.216 Fc1cnc(cn1)SCCc2ccccc2 62a_100009856528_100011218657 [0,1,0,0,0,1|2,0,0]=4 8103 B17R2.216 Fc1cnc(cn1)SCSc2ccccc2 62a_100009856528_100011218342 [0,1,0,0,0,1|2,0,0]=4 8104 B17R2.216 Fc1cnc(cn1)SCSc2ccccc2 62a_100011218342_100009856528 [0,1,0,0,0,1|2,0,0]=4 8105 B17R2.216 Fc1cnc(nc1)NCCc2cccnc2 27a_100000736294_100000685220 [0,1,0,0,0,1|2,0,0]=4 8106 B17R2.216 Fc1ncc(cn1)OCCc2ccccc2 34a_200009874573_100000765856 [0,1,0,0,0,1|2,0,0]=4 8107 B17R2.216 Fc1ncc(cn1)OCCc2ccccc2 7a_200009874573_100000765856 [0,1,0,0,0,1|2,0,0]=4 8108 B17R2.216 Fc1ncc(cn1)SCCc2ccccc2 62a_100000685262_100011218657 [0,1,0,0,0,1|2,0,0]=4 8109 B17R2.216 Fc1ncc(cn1)SCCc2ccccc2 62a_100000765856_100000685262 [0,1,0,0,0,1|2,0,0]=4 8110 B17R2.216 Fc1ncc(cn1)SCSc2ccccc2 62a_100000685262_100011218342 [0,1,0,0,0,1|2,0,0]=4 8111 B17R2.216 Fc1ncc(cn1)SCSc2ccccc2 62a_100011218342_100000685262 [0,1,0,0,0,1|2,0,0]=4 8112 B17R2.216 Ic1ccc(cc1)C=NNc2ccccc2 4a_100015195140_100000188517 [0,1,0,0,0,1|1,0,1]=4 8113 B17R2.216 Ic1ccc(cc1)C=NNc2cccnc2 4a_100000728903_100000188517 [0,1,0,0,0,1|1,0,1]=4 8114 B17R2.216 Ic1ccc(cc1)CNCc2ccccc2 207a_100015324214_100000188517 [0,1,0,0,0,1|1,0,0]=3 8115 B17R2.216 Ic1ccc(cc1)CNCc2ccccc2 207a_100016989417_100015611070 [0,1,0,0,0,1|1,0,0]=3 8116 B17R2.216 Ic1ccc(cc1)CNCc2ccccc2 2230a_100015324214_100000189116 [0,1,0,0,0,1|1,0,0]=3 8117 B17R2.216 Ic1ccc(cc1)CNCc2ccccc2 2230a_100016989417_100015291786 [0,1,0,0,0,1|1,0,0]=3 8118 B17R2.216 Ic1ccc(cc1)CNCc2ccccc2 270004a_100016989417_100015611070 [0,1,0,0,0,1|1,0,0]=3 8119 B17R2.216 Ic1ccc(cc1)CNCc2ccccc2 34a_100015324214_100000189116 [0,1,0,0,0,1|1,0,0]=3 8120 B17R2.216 Ic1ccc(cc1)CNCc2ccccc2 34a_100016989417_100015291786 [0,1,0,0,0,1|1,0,0]=3 8121 B17R2.216 Ic1ccc(cc1)CNCc2ccccn2 207a_100016989417_100000209966 [0,1,0,0,0,1|2,0,0]=4 8122 B17R2.216 Ic1ccc(cc1)CNCc2ccccn2 2230a_100016989417_100000721315 [0,1,0,0,0,1|2,0,0]=4 8123 B17R2.216 Ic1ccc(cc1)CNCc2ccccn2 270004a_100016989417_100000209966 [0,1,0,0,0,1|2,0,0]=4 8124 B17R2.216 Ic1ccc(cc1)CNCc2ccccn2 34a_100016989417_100000721315 [0,1,0,0,0,1|2,0,0]=4 8125 B17R2.216 Ic1ccc(cc1)CNCc2cccnc2 207a_100000210453_100000188517 [0,1,0,0,0,1|0,0,0]=2 8126 B17R2.216 Ic1ccc(cc1)CNCc2cccnc2 207a_100016989417_100000209961 [0,1,0,0,0,1|0,0,0]=2 8127 B17R2.216 Ic1ccc(cc1)CNCc2cccnc2 2230a_100016989417_100000741622 [0,1,0,0,0,1|0,0,0]=2 8128 B17R2.216 Ic1ccc(cc1)CNCc2cccnc2 270004a_100016989417_100000209961 [0,1,0,0,0,1|0,0,0]=2 8129 B17R2.216 Ic1ccc(cc1)CNCc2cccnc2 34a_100016989417_100000733263 [0,1,0,0,0,1|0,0,0]=2 8130 B17R2.216 Ic1ccc(cc1)CNCc2cccnn2 2230a_100016989417_100016990269 [0,1,0,0,0,1|1,0,0]=3 8131 B17R2.216 Ic1ccc(cc1)CNCc2cccnn2 2230a_100159270163_100000189116 [0,1,0,0,0,1|1,0,0]=3 8132 B17R2.216 Ic1ccc(cc1)CNCc2cccnn2 34a_100016989417_100016990269 [0,1,0,0,0,1|1,0,0]=3 8133 B17R2.216 Ic1ccc(cc1)CNCc2ccncc2 207a_100016989417_100000186114 [0,1,0,0,0,1|2,0,0]=4 8134 B17R2.216 Ic1ccc(cc1)CNCc2ccncc2 2230a_100016989417_100015193705 [0,1,0,0,0,1|2,0,0]=4 8135 B17R2.216 Ic1ccc(cc1)CNCc2ccnnc2 270004a_100016989417_100011934578 [0,1,0,0,0,1|1,0,0]=3 8136 B17R2.216 Ic1ccc(cc1)CNCc2cnccn2 2230a_100016989417_100016995436 [0,1,0,0,0,1|1,0,0]=3 8137 B17R2.216 Ic1ccc(cc1)CNCc2cnccn2 270004a_100016989417_100000749867 [0,1,0,0,0,1|1,0,0]=3 8138 B17R2.216 Ic1ccc(cc1)CNCc2cnccn2 34a_100016989417_100016995436 [0,1,0,0,0,1|1,0,0]=3 8139 B17R2.216 Ic1ccc(cc1)CNCc2cncnc2 207a_100011243677_100000188517 [0,1,0,0,0,1|1,0,0]=3 8140 B17R2.216 Ic1ccc(cc1)CNCc2cncnc2 2230a_100011243677_100000189116 [0,1,0,0,0,1|1,0,0]=3 8141 B17R2.216 Ic1ccc(cc1)CNCc2cncnc2 2230a_100016989417_100015196519 [0,1,0,0,0,1|1,0,0]=3 8142 B17R2.216 Ic1ccc(cc1)CNCc2cncnc2 270004a_100016989417_100000749868 [0,1,0,0,0,1|1,0,0]=3 8143 B17R2.216 Ic1ccc(cc1)CNCc2cncnc2 34a_100016989417_100015196519 [0,1,0,0,0,1|1,0,0]=3 8144 B17R2.216 Ic1ccc(cc1)COCc2ccccc2 34a_100000210790_100000189116 [0,1,0,0,0,1|2,0,0]=4 8145 B17R2.216 Ic1ccc(cc1)COCc2ccccc2 34a_100000690907_100015291786 [0,1,0,0,0,1|2,0,0]=4 8146 B17R2.216 Ic1ccc(cc1)COCc2ccccc2 7a_100000210790_100000189116 [0,1,0,0,0,1|2,0,0]=4 8147 B17R2.216 Ic1ccc(cc1)COCc2ccccc2 7a_100000690907_100000211182 [0,1,0,0,0,1|2,0,0]=4 8148 B17R2.216 Ic1ccc(cc1)COCc2cccnc2 34a_100000690907_100000733263 [0,1,0,0,0,1|1,0,0]=3 8149 B17R2.216 Ic1ccc(cc1)COCc2cccnc2 7a_100000690907_100000741622 [0,1,0,0,0,1|1,0,0]=3 8150 B17R2.216 Ic1ccc(cc1)COCc2cccnn2 34a_100000690907_100016990269 [0,1,0,0,0,1|2,0,0]=4 8151 B17R2.216 Ic1ccc(cc1)COCc2cccnn2 7a_100000690907_100016990269 [0,1,0,0,0,1|2,0,0]=4 8152 B17R2.216 Ic1ccc(cc1)COCc2cnccn2 34a_100000690907_100016995436 [0,1,0,0,0,1|2,0,0]=4 8153 B17R2.216 Ic1ccc(cc1)COCc2cnccn2 7a_100000690907_100016995436 [0,1,0,0,0,1|2,0,0]=4 8154 B17R2.216 Ic1ccc(cc1)COCc2cncnc2 34a_100000690907_100015196519 [0,1,0,0,0,1|2,0,0]=4 8155 B17R2.216 Ic1ccc(cc1)COCc2cncnc2 7a_100000690907_100015196519 [0,1,0,0,0,1|2,0,0]=4 8156 B17R2.216 Ic1ccc(cc1)CSCc2ccccc2 62a_100000189116_100015291786 [0,1,0,0,0,1|2,0,0]=4 8157 B17R2.216 Ic1ccc(cc1)CSCc2ccccc2 62a_100000211182_100000189116 [0,1,0,0,0,1|2,0,0]=4 8158 B17R2.216 Ic1ccc(cc1)CSCc2cccnc2 62a_100000189116_100000741622 [0,1,0,0,0,1|1,0,0]=3 8159 B17R2.216 Ic1ccc(cc1)CSCc2cccnc2 62a_100000741622_100000189116 [0,1,0,0,0,1|1,0,0]=3 8160 B17R2.216 Ic1ccc(cc1)CSCc2cccnn2 62a_100000189116_100016990269 [0,1,0,0,0,1|2,0,0]=4 8161 B17R2.216 Ic1ccc(cc1)CSCc2cccnn2 62a_100016990269_100000189116 [0,1,0,0,0,1|2,0,0]=4 8162 B17R2.216 Ic1ccc(cc1)CSCc2cnccn2 62a_100000189116_100016995436 [0,1,0,0,0,1|2,0,0]=4 8163 B17R2.216 Ic1ccc(cc1)CSCc2cnccn2 62a_100016995436_100000189116 [0,1,0,0,0,1|2,0,0]=4 8164 B17R2.216 Ic1ccc(cc1)CSCc2cncnc2 62a_100000189116_100015196519 [0,1,0,0,0,1|2,0,0]=4 8165 B17R2.216 Ic1ccc(cc1)CSCc2cncnc2 62a_100015196519_100000189116 [0,1,0,0,0,1|2,0,0]=4 8166 B17R2.216 Ic1ccc(cc1)NCCc2ccccc2 34a_100000185761_100000765856 [0,1,0,0,0,1|1,0,0]=3 8167 B17R2.216 Ic1ccc(cc1)NN=Cc2ccccc2 4a_100016988836_100015611070 [0,1,0,0,0,1|1,0,1]=4 8168 B17R2.216 Ic1ccc(cc1)NN=Cc2cccnc2 4a_100016988836_100000209961 [0,1,0,0,0,1|0,0,1]=3 8169 B17R2.216 Ic1ccc(cc1)NN=Cc2ccnnc2 4a_100016988836_100011934578 [0,1,0,0,0,1|1,0,1]=4 8170 B17R2.216 Ic1ccc(cc1)NN=Cc2cnccn2 4a_100016988836_100000749867 [0,1,0,0,0,1|1,0,1]=4 8171 B17R2.216 Ic1ccc(cc1)NN=Cc2cncnc2 4a_100016988836_100000749868 [0,1,0,0,0,1|1,0,1]=4 8172 B17R2.216 Ic1ccc(cc1)OCCc2ccccc2 34a_100000212066_100000765856 [0,1,0,0,0,1|2,0,0]=4 8173 B17R2.216 Ic1ccc(cc1)OCCc2ccccc2 7a_100000212066_100000765856 [0,1,0,0,0,1|2,0,0]=4 8174 B17R2.216 Ic1ccc(cc1)OCCc2cccnc2 7a_100000212066_200011713674 [0,1,0,0,0,1|1,0,0]=3 8175 B17R2.216 Ic1ccc(cn1)OCCc2ccccc2 34a_100000687607_100000765856 [0,1,0,0,0,1|1,0,0]=3 8176 B17R2.216 Ic1ccc(cn1)OCCc2ccccc2 7a_100000687607_100000765856 [0,1,0,0,0,1|1,0,0]=3 8177 B17R2.216 Ic1ccc(cn1)OCCc2ccccn2 7a_100000687607_100015183660 [0,1,0,0,0,1|2,0,0]=4 8178 B17R2.216 Ic1ccc(cn1)OCCc2cccnc2 7a_100000687607_200011713674 [0,1,0,0,0,1|2,0,0]=4 8179 B17R2.216 Ic1ccc(cn1)OCCc2ccncc2 7a_100000687607_100000723409 [0,1,0,0,0,1|2,0,0]=4 8180 B17R2.216 Ic1ccc(nc1)NN=Cc2cccnc2 4a_100010221006_100000209961 [0,1,0,0,0,1|1,0,1]=4 8181 B17R2.216 Nc1ccc(cc1)C=CCc2ccccc2 271570a_200016263579_100000185761 [0,1,0,0,0,1|2,0,0]=4 8182 B17R2.216 Nc1ccc(cc1)COCc2ccccc2 34a_100011215238_100015291786 [0,1,0,0,0,1|2,0,0]=4 8183 B17R2.216 Nc1ccc(cc1)COCc2cccnc2 34a_100011215238_100000733263 [0,1,0,0,0,1|1,0,0]=3 8184 B17R2.216 Nc1ccc(cc1)COCc2cccnn2 34a_100011215238_100016990269 [0,1,0,0,0,1|2,0,0]=4 8185 B17R2.216 Nc1ccc(cc1)COCc2cnccn2 34a_100011215238_100016995436 [0,1,0,0,0,1|2,0,0]=4 8186 B17R2.216 Nc1ccc(cc1)COCc2cncnc2 34a_100011215238_100015196519 [0,1,0,0,0,1|2,0,0]=4 8187 B17R2.216 Nc1ccc(cc1)OCCc2ccccc2 34a_100000185829_100000765856 [0,1,0,0,0,1|2,0,0]=4 8188 B17R2.216 Nc1ccc(cc1)SCCc2ccccc2 62a_100000185761_100011218657 [0,1,0,0,0,1|2,0,0]=4 8189 B17R2.216 Nc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000185761 [0,1,0,0,0,1|2,0,0]=4 8190 B17R2.216 Nc1ccc(cc1)SCCc2cccnc2 62a_100000185761_200011713674 [0,1,0,0,0,1|1,0,0]=3 8191 B17R2.216 Nc1ccc(cc1)SCCc2cccnc2 62a_200011713674_100000185761 [0,1,0,0,0,1|1,0,0]=3 8192 B17R2.216 Nc1ccc(cc1)SCSc2ccccc2 62a_100000185761_100011218342 [0,1,0,0,0,1|2,0,0]=4 8193 B17R2.216 Nc1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000185761 [0,1,0,0,0,1|2,0,0]=4 8194 B17R2.216 Nc1ccc(cn1)C=CCc2ccccc2 271570a_200016263579_100000187370 [0,1,0,0,0,1|1,0,1]=4 8195 B17R2.216 Nc1ccc(cn1)COCc2ccccc2 34a_100000704267_100015291786 [0,1,0,0,0,1|1,0,0]=3 8196 B17R2.216 Nc1ccc(cn1)COCc2ccccn2 34a_100000704267_100000721315 [0,1,0,0,0,1|2,0,0]=4 8197 B17R2.216 Nc1ccc(cn1)COCc2cccnc2 34a_100000704267_100000733263 [0,1,0,0,0,1|2,0,0]=4 8198 B17R2.216 Nc1ccc(cn1)OCCc2ccccc2 34a_100015188713_100000765856 [0,1,0,0,0,1|1,0,0]=3 8199 B17R2.216 Nc1ccc(cn1)OCCc2ccccc2 7a_100015188713_100000765856 [0,1,0,0,0,1|1,0,0]=3 8200 B17R2.216 Nc1ccc(cn1)OCCc2ccccn2 7a_100015188713_100015183660 [0,1,0,0,0,1|2,0,0]=4 8201 B17R2.216 Nc1ccc(cn1)OCCc2cccnc2 7a_100015188713_200011713674 [0,1,0,0,0,1|2,0,0]=4 8202 B17R2.216 Nc1ccc(cn1)OCCc2ccncc2 7a_100015188713_100000723409 [0,1,0,0,0,1|2,0,0]=4 8203 B17R2.216 Nc1ccc(cn1)SCCc2ccccc2 62a_100000187370_100011218657 [0,1,0,0,0,1|1,0,0]=3 8204 B17R2.216 Nc1ccc(cn1)SCCc2ccccc2 62a_100000765856_100000187370 [0,1,0,0,0,1|1,0,0]=3 8205 B17R2.216 Nc1ccc(cn1)SCCc2ccccn2 62a_100000187370_100015183660 [0,1,0,0,0,1|2,0,0]=4 8206 B17R2.216 Nc1ccc(cn1)SCCc2ccccn2 62a_100015183660_100000187370 [0,1,0,0,0,1|2,0,0]=4 8207 B17R2.216 Nc1ccc(cn1)SCCc2cccnc2 62a_100000187370_200011713674 [0,1,0,0,0,1|2,0,0]=4 8208 B17R2.216 Nc1ccc(cn1)SCCc2cccnc2 62a_200011713674_100000187370 [0,1,0,0,0,1|2,0,0]=4 8209 B17R2.216 Nc1ccc(cn1)SCCc2ccncc2 62a_100000187370_100000723409 [0,1,0,0,0,1|2,0,0]=4 8210 B17R2.216 Nc1ccc(cn1)SCCc2ccncc2 62a_100000723409_100000187370 [0,1,0,0,0,1|2,0,0]=4 8211 B17R2.216 Nc1ccc(cn1)SCSc2ccccc2 62a_100000187370_100011218342 [0,1,0,0,0,1|1,0,0]=3 8212 B17R2.216 Nc1ccc(cn1)SCSc2ccccc2 62a_100011218342_100000187370 [0,1,0,0,0,1|1,0,0]=3 8213 B17R2.216 Nc1ccc(nc1)COCc2cccnc2 34a_100011998161_100000733263 [0,1,0,0,0,1|2,0,0]=4 8214 B17R2.216 Nc1ccc(nc1)SCCc2cccnc2 62a_100000737798_200011713674 [0,1,0,0,0,1|2,0,0]=4 8215 B17R2.216 Nc1ccc(nc1)SCCc2cccnc2 62a_200011713674_100000737798 [0,1,0,0,0,1|2,0,0]=4 8216 B17R2.216 Nc1ccc(nn1)SCCc2ccccc2 62a_100000765856_100010219413 [0,1,0,0,0,1|2,0,0]=4 8217 B17R2.216 Nc1ccc(nn1)SCCc2ccccc2 62a_100010219413_100011218657 [0,1,0,0,0,1|2,0,0]=4 8218 B17R2.216 Nc1ccc(nn1)SCSc2ccccc2 62a_100010219413_100011218342 [0,1,0,0,0,1|2,0,0]=4 8219 B17R2.216 Nc1ccc(nn1)SCSc2ccccc2 62a_100011218342_100010219413 [0,1,0,0,0,1|2,0,0]=4 8220 B17R2.216 Nc1cnc(cn1)SCCc2ccccc2 62a_100000744751_100011218657 [0,1,0,0,0,1|2,0,0]=4 8221 B17R2.216 Nc1cnc(cn1)SCCc2ccccc2 62a_100000765856_100000744751 [0,1,0,0,0,1|2,0,0]=4 8222 B17R2.216 Nc1cnc(cn1)SCSc2ccccc2 62a_100000744751_100011218342 [0,1,0,0,0,1|2,0,0]=4 8223 B17R2.216 Nc1cnc(cn1)SCSc2ccccc2 62a_100011218342_100000744751 [0,1,0,0,0,1|2,0,0]=4 8224 B17R2.216 Nc1ncc(cn1)OCCc2ccccc2 34a_100000087137_100000765856 [0,1,0,0,0,1|2,0,0]=4 8225 B17R2.216 Nc1ncc(cn1)OCCc2ccccc2 7a_100000087137_100000765856 [0,1,0,0,0,1|2,0,0]=4 8226 B17R2.216 Nc1ncc(cn1)SCCc2ccccc2 62a_100000765856_100000766020 [0,1,0,0,0,1|2,0,0]=4 8227 B17R2.216 Nc1ncc(cn1)SCCc2ccccc2 62a_100000766020_100011218657 [0,1,0,0,0,1|2,0,0]=4 8228 B17R2.216 Nc1ncc(cn1)SCSc2ccccc2 62a_100000766020_100011218342 [0,1,0,0,0,1|2,0,0]=4 8229 B17R2.216 Nc1ncc(cn1)SCSc2ccccc2 62a_100011218342_100000766020 [0,1,0,0,0,1|2,0,0]=4 8230 B17R2.216 O=c1ccc(c[nH]1)COCc2ccccc2 34a_100011999846_100015291786 [0,1,0,0,0,1|1,0,1]=4 8231 B17R2.216 O=c1ccc(c[nH]1)COCc2cccnc2 34a_100011999846_100000733263 [0,1,0,0,0,1|2,0,0]=4 8232 B17R2.216 O=c1ccc(c[nH]1)OCCc2ccccc2 34a_100000075641_100000765856 [0,1,0,0,0,1|1,0,1]=4 8233 B17R2.216 O=c1ccc(c[nH]1)SCCc2ccccc2 62a_100000212171_100011218657 [0,1,0,0,0,1|1,0,1]=4 8234 B17R2.216 O=c1ccc(c[nH]1)SCCc2ccccc2 62a_100000765856_100000212171 [0,1,0,0,0,1|1,0,1]=4 8235 B17R2.216 O=c1ccc(c[nH]1)SCCc2cccnc2 62a_100000212171_200011713674 [0,1,0,0,0,1|2,0,0]=4 8236 B17R2.216 O=c1ccc(c[nH]1)SCCc2cccnc2 62a_200011713674_100000212171 [0,1,0,0,0,1|2,0,0]=4 8237 B17R2.216 O=c1ccc(c[nH]1)SCSc2ccccc2 62a_100000212171_100011218342 [0,1,0,0,0,1|1,0,1]=4 8238 B17R2.216 O=c1ccc(c[nH]1)SCSc2ccccc2 62a_100011218342_100000212171 [0,1,0,0,0,1|1,0,1]=4 8239 B17R2.216 O=c1ccc(n[nH]1)CNCc2ccccc2 207a_100015324214_100011361533 [0,1,0,0,0,1|1,0,1]=4 8240 B17R2.216 O=c1ccc(n[nH]1)CNCc2ccccc2 270004a_100015324214_100011361533 [0,1,0,0,0,1|1,0,1]=4 8241 B17R2.216 O=c1ccc(n[nH]1)CNCc2cccnc2 207a_100000210453_100011361533 [0,1,0,0,0,1|2,0,0]=4 8242 B17R2.216 O=c1ccc(n[nH]1)CNCc2cccnc2 270004a_100000210453_100011361533 [0,1,0,0,0,1|2,0,0]=4 8243 B17R2.216 O=c1ncc(c[nH]1)SCCc2ccccc2 62a_100000765856_102495366499 [0,1,0,0,0,1|2,0,0]=4 8244 B17R2.216 O=c1ncc(c[nH]1)SCCc2ccccc2 62a_102495366499_100011218657 [0,1,0,0,0,1|2,0,0]=4 8245 B17R2.216 O=c1ncc(c[nH]1)SCSc2ccccc2 62a_100011218342_102495366499 [0,1,0,0,0,1|2,0,0]=4 8246 B17R2.216 O=c1ncc(c[nH]1)SCSc2ccccc2 62a_102495366499_100011218342 [0,1,0,0,0,1|2,0,0]=4 8247 B17R2.216 Oc1ccc(cc1)C=CCc2ccccc2 271570a_200016263579_100000185759 [0,1,0,0,0,1|2,0,0]=4 8248 B17R2.216 Oc1ccc(cc1)C=NNc2ccccc2 4a_100015195140_100000185832 [0,1,0,0,0,1|1,0,1]=4 8249 B17R2.216 Oc1ccc(cc1)C=NNc2cccnc2 4a_100000728903_100000185832 [0,1,0,0,0,1|1,0,1]=4 8250 B17R2.216 Oc1ccc(cc1)CCNc2cccnn2 27a_100000743037_100016991348 [0,1,0,0,0,1|2,0,0]=4 8251 B17R2.216 Oc1ccc(cc1)CCNc2cnccn2 27a_100000743037_100000211759 [0,1,0,0,0,1|2,0,0]=4 8252 B17R2.216 Oc1ccc(cc1)CCOc2ccccc2 7a_100000210340_100009816426 [0,1,0,0,0,1|2,0,0]=4 8253 B17R2.216 Oc1ccc(cc1)CCOc2cccnc2 7a_100000210849_100009816426 [0,1,0,0,0,1|1,0,0]=3 8254 B17R2.216 Oc1ccc(cc1)CCOc2cncnc2 7a_100000754086_100009816426 [0,1,0,0,0,1|2,0,0]=4 8255 B17R2.216 Oc1ccc(cc1)CCSc2ccccc2 62a_100000719477_100009816426 [0,1,0,0,0,1|2,0,0]=4 8256 B17R2.216 Oc1ccc(cc1)CCSc2ccccc2 62a_100009816426_100000041952 [0,1,0,0,0,1|2,0,0]=4 8257 B17R2.216 Oc1ccc(cc1)CCSc2cccnc2 62a_100000210063_100009816426 [0,1,0,0,0,1|1,0,0]=3 8258 B17R2.216 Oc1ccc(cc1)CCSc2cccnc2 62a_100009816426_100000210063 [0,1,0,0,0,1|1,0,0]=3 8259 B17R2.216 Oc1ccc(cc1)CCSc2cccnn2 62a_100009816426_100016991348 [0,1,0,0,0,1|2,0,0]=4 8260 B17R2.216 Oc1ccc(cc1)CCSc2cccnn2 62a_100016991348_100009816426 [0,1,0,0,0,1|2,0,0]=4 8261 B17R2.216 Oc1ccc(cc1)CCSc2ccnnc2 62a_100000732662_100009816426 [0,1,0,0,0,1|2,0,0]=4 8262 B17R2.216 Oc1ccc(cc1)CCSc2ccnnc2 62a_100009816426_100000732662 [0,1,0,0,0,1|2,0,0]=4 8263 B17R2.216 Oc1ccc(cc1)CCSc2cnccn2 62a_100000211759_100009816426 [0,1,0,0,0,1|2,0,0]=4 8264 B17R2.216 Oc1ccc(cc1)CCSc2cnccn2 62a_100009816426_100000211759 [0,1,0,0,0,1|2,0,0]=4 8265 B17R2.216 Oc1ccc(cc1)CCSc2cncnc2 62a_100009816426_100011206942 [0,1,0,0,0,1|2,0,0]=4 8266 B17R2.216 Oc1ccc(cc1)CCSc2cncnc2 62a_100011206942_100009816426 [0,1,0,0,0,1|2,0,0]=4 8267 B17R2.216 Oc1ccc(cc1)CNCc2ccccc2 271570a_203496583355_100000195849 [0,1,0,0,0,1|1,0,0]=3 8268 B17R2.216 Oc1ccc(cc1)CNCc2ccccc2 34a_100000185549_100015291786 [0,1,0,0,0,1|1,0,0]=3 8269 B17R2.216 Oc1ccc(cc1)CNCc2ccccn2 34a_100000185549_100000721315 [0,1,0,0,0,1|2,0,0]=4 8270 B17R2.216 Oc1ccc(cc1)CNCc2cccnc2 34a_100000185549_100000733263 [0,1,0,0,0,1|0,0,0]=2 8271 B17R2.216 Oc1ccc(cc1)CNCc2cccnn2 34a_100000185549_100016990269 [0,1,0,0,0,1|1,0,0]=3 8272 B17R2.216 Oc1ccc(cc1)CNCc2cnccn2 34a_100000185549_100016995436 [0,1,0,0,0,1|1,0,0]=3 8273 B17R2.216 Oc1ccc(cc1)CNCc2cncnc2 34a_100000185549_100015196519 [0,1,0,0,0,1|1,0,0]=3 8274 B17R2.216 Oc1ccc(cc1)NCCc2ccccc2 34a_100000185829_100000765856 [0,1,0,0,0,1|1,0,0]=3 8275 B17R2.216 Oc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000185759 [0,1,0,0,0,1|2,0,0]=4 8276 B17R2.216 Oc1ccc(cc1)SCCc2cccnc2 62a_200011713674_100000185759 [0,1,0,0,0,1|1,0,0]=3 8277 B17R2.216 Oc1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000185759 [0,1,0,0,0,1|2,0,0]=4 8278 B17R2.216 Oc1ccc(cn1)C=NNc2ccccc2 4a_100015195140_100011361521 [0,1,0,0,0,1|0,0,1]=3 8279 B17R2.216 Oc1ccc(cn1)C=NNc2ccccn2 4a_100000183288_100011361521 [0,1,0,0,0,1|1,0,1]=4 8280 B17R2.216 Oc1ccc(cn1)C=NNc2cccnc2 4a_100000728903_100011361521 [0,1,0,0,0,1|1,0,1]=4 8281 B17R2.216 Oc1ccc(cn1)C=NNc2ccncc2 4a_100000698918_100011361521 [0,1,0,0,0,1|1,0,1]=4 8282 B17R2.216 Oc1ccc(cn1)CNCc2ccccc2 207a_100015324214_100011361521 [0,1,0,0,0,1|0,0,0]=2 8283 B17R2.216 Oc1ccc(cn1)CNCc2ccccc2 2230a_100000757128_100015291786 [0,1,0,0,0,1|0,0,0]=2 8284 B17R2.216 Oc1ccc(cn1)CNCc2ccccn2 2230a_100000757128_100000721315 [0,1,0,0,0,1|1,0,0]=3 8285 B17R2.216 Oc1ccc(cn1)CNCc2cccnc2 207a_100000210453_100011361521 [0,1,0,0,0,1|1,0,0]=3 8286 B17R2.216 Oc1ccc(cn1)CNCc2cccnc2 2230a_100000757128_100000741622 [0,1,0,0,0,1|1,0,0]=3 8287 B17R2.216 Oc1ccc(cn1)CNCc2cccnn2 2230a_100000757128_100016990269 [0,1,0,0,0,1|2,0,0]=4 8288 B17R2.216 Oc1ccc(cn1)CNCc2ccncc2 2230a_100000757128_100015193705 [0,1,0,0,0,1|1,0,0]=3 8289 B17R2.216 Oc1ccc(cn1)CNCc2cnccn2 2230a_100000757128_100016995436 [0,1,0,0,0,1|2,0,0]=4 8290 B17R2.216 Oc1ccc(cn1)CNCc2cncnc2 207a_100011243677_100011361521 [0,1,0,0,0,1|2,0,0]=4 8291 B17R2.216 Oc1ccc(cn1)CNCc2cncnc2 2230a_100000757128_100015196519 [0,1,0,0,0,1|2,0,0]=4 8292 B17R2.216 Oc1ccc(cn1)CNCc2ncccn2 2230a_100000757128_100000703007 [0,1,0,0,0,1|2,0,0]=4 8293 B17R2.216 Oc1ccc(nc1)SCCc2cccnc2 62a_100000685995_200011713674 [0,1,0,0,0,1|2,0,0]=4 8294 B17R2.216 Oc1ccc(nc1)SCCc2cccnc2 62a_200011713674_100000744096 [0,1,0,0,0,1|2,0,0]=4 8295 B17R2.216 Oc1ccc(nn1)NCCc2ccccc2 271570a_203496583355_100000215314 [0,1,0,0,0,1|2,0,0]=4 8296 B17R2.216 Oc1cnc(cn1)SCCc2ccccc2 62a_100000765856_100015839800 [0,1,0,0,0,1|2,0,0]=4 8297 B17R2.216 Oc1cnc(cn1)SCCc2ccccc2 62a_100011934580_100011218657 [0,1,0,0,0,1|2,0,0]=4 8298 B17R2.216 Oc1cnc(cn1)SCSc2ccccc2 62a_100011218342_100015839800 [0,1,0,0,0,1|2,0,0]=4 8299 B17R2.216 Oc1cnc(cn1)SCSc2ccccc2 62a_100011934580_100011218342 [0,1,0,0,0,1|2,0,0]=4 8300 B17R2.216 Oc1ncc(cn1)C=NNc2ccccc2 4a_100015195140_100012001660 [0,1,0,0,0,1|1,0,1]=4 8301 B17R2.216 [O-][n+]1ccc(cc1)COCc2cccnc2 34a_100000031831_100000733263 [0,1,0,0,0,1|2,0,0]=4 8302 B17R2.216 [O-][n+]1ccc(cc1)COCc2cccnc2 7a_100000031831_100000741622 [0,1,0,0,0,1|2,0,0]=4 8303 B17R2.216 [O-][n+]1ccc(cc1)SCCc2cccnc2 62a_200011713674_100000039755 [0,1,0,0,0,1|2,0,0]=4 8304 B17R2.2342 CC(=NNc1ccccc1)c2ccccc2 4a_100015195140_100000185851 [0,1,0,0,0,1|1,0,1]=4 8305 B17R2.2342 CC(=NNc1ccccc1)c2cccnc2 4a_100015195140_100000210468 [0,1,0,0,0,1|0,0,1]=3 8306 B17R2.2342 CC(=NNc1ccccc1)c2cccnn2 4a_100015195140_100009866853 [0,1,0,0,0,1|1,0,1]=4 8307 B17R2.2342 CC(=NNc1ccccc1)c2ccnnc2 4a_100015195140_100012182992 [0,1,0,0,0,1|1,0,1]=4 8308 B17R2.2342 CC(=NNc1ccccc1)c2cnccn2 4a_100015195140_100000751083 [0,1,0,0,0,1|1,0,1]=4 8309 B17R2.2342 CC(=NNc1ccccc1)c2cncnc2 4a_100015195140_100000757475 [0,1,0,0,0,1|1,0,1]=4 8310 B17R2.2342 CC(=NNc1ccccn1)c2cccnc2 4a_100000183288_100000210468 [0,1,0,0,0,1|1,0,1]=4 8311 B17R2.2342 CC(=NNc1cccnc1)c2ccccc2 4a_100000728903_100000185851 [0,1,0,0,0,1|1,0,1]=4 8312 B17R2.2342 CC(=NNc1cccnc1)c2cccnc2 4a_100000728903_100000210468 [0,1,0,0,0,1|1,0,1]=4 8313 B17R2.2342 CC(=NNc1ccncc1)c2cccnc2 4a_100000698918_100000210468 [0,1,0,0,0,1|1,0,1]=4 8314 B17R2.2342 CC(CNc1ccccc1)c2ccccc2 34a_100000106764_100000756946 [0,1,0,0,0,1|1,0,0]=3 8315 B17R2.2342 CC(CNc1cccnn1)c2ccccc2 27a_100000701038_100016991348 [0,1,0,0,0,1|2,0,0]=4 8316 B17R2.2342 CC(CNc1cnccn1)c2ccccc2 27a_100000701038_100000211759 [0,1,0,0,0,1|2,0,0]=4 8317 B17R2.2342 CC(COc1ccccc1)c2ccccc2 34a_100000210340_100000756946 [0,1,0,0,0,1|2,0,0]=4 8318 B17R2.2342 CC(COc1ccccc1)c2ccccc2 7a_100000210340_100000756946 [0,1,0,0,0,1|2,0,0]=4 8319 B17R2.2342 CC(COc1cccnc1)c2ccccc2 34a_100000210849_100000756946 [0,1,0,0,0,1|1,0,0]=3 8320 B17R2.2342 CC(COc1cccnc1)c2ccccc2 7a_100000210849_100000756946 [0,1,0,0,0,1|1,0,0]=3 8321 B17R2.2342 CC(COc1ccnnc1)c2ccccc2 34a_100015204005_100000756946 [0,1,0,0,0,1|2,0,0]=4 8322 B17R2.2342 CC(COc1cncnc1)c2ccccc2 7a_100000754086_100000756946 [0,1,0,0,0,1|2,0,0]=4 8323 B17R2.2342 CC(CSc1ccccc1)c2ccccc2 62a_100000719477_100000756946 [0,1,0,0,0,1|2,0,0]=4 8324 B17R2.2342 CC(CSc1ccccc1)c2ccccc2 62a_100000756946_100000041952 [0,1,0,0,0,1|2,0,0]=4 8325 B17R2.2342 CC(CSc1cccnc1)c2ccccc2 62a_100000210063_100000756946 [0,1,0,0,0,1|1,0,0]=3 8326 B17R2.2342 CC(CSc1cccnc1)c2ccccc2 62a_100000756946_100000210063 [0,1,0,0,0,1|1,0,0]=3 8327 B17R2.2342 CC(CSc1cccnn1)c2ccccc2 62a_100000756946_100016991348 [0,1,0,0,0,1|2,0,0]=4 8328 B17R2.2342 CC(CSc1cccnn1)c2ccccc2 62a_100016991348_100000756946 [0,1,0,0,0,1|2,0,0]=4 8329 B17R2.2342 CC(CSc1ccnnc1)c2ccccc2 62a_100000732662_100000756946 [0,1,0,0,0,1|2,0,0]=4 8330 B17R2.2342 CC(CSc1ccnnc1)c2ccccc2 62a_100000756946_100000732662 [0,1,0,0,0,1|2,0,0]=4 8331 B17R2.2342 CC(CSc1cnccn1)c2ccccc2 62a_100000211759_100000756946 [0,1,0,0,0,1|2,0,0]=4 8332 B17R2.2342 CC(CSc1cnccn1)c2ccccc2 62a_100000756946_100000211759 [0,1,0,0,0,1|2,0,0]=4 8333 B17R2.2342 CC(CSc1cncnc1)c2ccccc2 62a_100000756946_100011206942 [0,1,0,0,0,1|2,0,0]=4 8334 B17R2.2342 CC(CSc1cncnc1)c2ccccc2 62a_100011206942_100000756946 [0,1,0,0,0,1|2,0,0]=4 8335 B17R2.2342 CC(NCc1ccccc1)c2ccccc2 2230a_100015324214_100000230085 [0,1,0,0,0,1|1,0,0]=3 8336 B17R2.2342 CC(NCc1ccccc1)c2ccccc2 269862a_100015324214_100000185851 [0,1,0,0,0,1|1,0,0]=3 8337 B17R2.2342 CC(NCc1ccccc1)c2ccccc2 34a_100015324214_100000211855 [0,1,0,0,0,1|1,0,0]=3 8338 B17R2.2342 CC(NCc1ccccc1)c2ccccn2 207a_100000181244_100015611070 [0,1,0,0,0,1|2,0,0]=4 8339 B17R2.2342 CC(NCc1ccccc1)c2ccccn2 2230a_100000181244_100015291786 [0,1,0,0,0,1|2,0,0]=4 8340 B17R2.2342 CC(NCc1ccccc1)c2ccccn2 269862a_100015324214_100000210467 [0,1,0,0,0,1|2,0,0]=4 8341 B17R2.2342 CC(NCc1ccccc1)c2ccccn2 270004a_100000181244_100015611070 [0,1,0,0,0,1|2,0,0]=4 8342 B17R2.2342 CC(NCc1ccccc1)c2cccnc2 207a_100000195435_100015611070 [0,1,0,0,0,1|0,0,0]=2 8343 B17R2.2342 CC(NCc1ccccc1)c2cccnc2 2230a_100000195435_100015291786 [0,1,0,0,0,1|0,0,0]=2 8344 B17R2.2342 CC(NCc1ccccc1)c2cccnc2 269862a_100015324214_100000210468 [0,1,0,0,0,1|0,0,0]=2 8345 B17R2.2342 CC(NCc1ccccc1)c2cccnc2 270004a_100000195435_100015611070 [0,1,0,0,0,1|0,0,0]=2 8346 B17R2.2342 CC(NCc1ccccc1)c2cccnn2 269862a_100015324214_100009866853 [0,1,0,0,0,1|1,0,0]=3 8347 B17R2.2342 CC(NCc1ccccc1)c2ccncc2 207a_100000181269_100015611070 [0,1,0,0,0,1|2,0,0]=4 8348 B17R2.2342 CC(NCc1ccccc1)c2ccncc2 2230a_100000181269_100015291786 [0,1,0,0,0,1|2,0,0]=4 8349 B17R2.2342 CC(NCc1ccccc1)c2ccncc2 269862a_100015324214_100000185792 [0,1,0,0,0,1|2,0,0]=4 8350 B17R2.2342 CC(NCc1ccccc1)c2ccncc2 270004a_100000181269_100015611070 [0,1,0,0,0,1|2,0,0]=4 8351 B17R2.2342 CC(NCc1ccccc1)c2ccnnc2 269862a_100015324214_100012182992 [0,1,0,0,0,1|1,0,0]=3 8352 B17R2.2342 CC(NCc1ccccc1)c2cnccn2 2230a_100015324214_200000703233 [0,1,0,0,0,1|1,0,0]=3 8353 B17R2.2342 CC(NCc1ccccc1)c2cnccn2 269862a_100015324214_100000751083 [0,1,0,0,0,1|1,0,0]=3 8354 B17R2.2342 CC(NCc1ccccc1)c2cncnc2 269862a_100015324214_100000757475 [0,1,0,0,0,1|1,0,0]=3 8355 B17R2.2342 CC(NCc1ccccn1)c2cccnc2 207a_100000195435_100000209966 [0,1,0,0,0,1|1,0,0]=3 8356 B17R2.2342 CC(NCc1ccccn1)c2cccnc2 2230a_100000195435_100000721315 [0,1,0,0,0,1|1,0,0]=3 8357 B17R2.2342 CC(NCc1ccccn1)c2cccnc2 270004a_100000195435_100000209966 [0,1,0,0,0,1|1,0,0]=3 8358 B17R2.2342 CC(NCc1cccnc1)c2ccccc2 269862a_100000210453_100000185851 [0,1,0,0,0,1|0,0,0]=2 8359 B17R2.2342 CC(NCc1cccnc1)c2ccccn2 207a_100000181244_100000209961 [0,1,0,0,0,1|1,0,0]=3 8360 B17R2.2342 CC(NCc1cccnc1)c2ccccn2 2230a_100000181244_100000741622 [0,1,0,0,0,1|1,0,0]=3 8361 B17R2.2342 CC(NCc1cccnc1)c2ccccn2 269862a_100000210453_100000210467 [0,1,0,0,0,1|1,0,0]=3 8362 B17R2.2342 CC(NCc1cccnc1)c2ccccn2 270004a_100000181244_100000209961 [0,1,0,0,0,1|1,0,0]=3 8363 B17R2.2342 CC(NCc1cccnc1)c2cccnc2 207a_100000195435_100000209961 [0,1,0,0,0,1|1,0,0]=3 8364 B17R2.2342 CC(NCc1cccnc1)c2cccnc2 2230a_100000195435_100000741622 [0,1,0,0,0,1|1,0,0]=3 8365 B17R2.2342 CC(NCc1cccnc1)c2cccnc2 269862a_100000210453_100000210468 [0,1,0,0,0,1|1,0,0]=3 8366 B17R2.2342 CC(NCc1cccnc1)c2cccnc2 270004a_100000195435_100000209961 [0,1,0,0,0,1|1,0,0]=3 8367 B17R2.2342 CC(NCc1cccnc1)c2cccnn2 269862a_100000210453_100009866853 [0,1,0,0,0,1|2,0,0]=4 8368 B17R2.2342 CC(NCc1cccnc1)c2ccncc2 207a_100000181269_100000209961 [0,1,0,0,0,1|1,0,0]=3 8369 B17R2.2342 CC(NCc1cccnc1)c2ccncc2 2230a_100000181269_100000741622 [0,1,0,0,0,1|1,0,0]=3 8370 B17R2.2342 CC(NCc1cccnc1)c2ccncc2 269862a_100000210453_100000185792 [0,1,0,0,0,1|1,0,0]=3 8371 B17R2.2342 CC(NCc1cccnc1)c2ccncc2 270004a_100000181269_100000209961 [0,1,0,0,0,1|1,0,0]=3 8372 B17R2.2342 CC(NCc1cccnc1)c2ccnnc2 269862a_100000210453_100012182992 [0,1,0,0,0,1|2,0,0]=4 8373 B17R2.2342 CC(NCc1cccnc1)c2cnccn2 269862a_100000210453_100000751083 [0,1,0,0,0,1|2,0,0]=4 8374 B17R2.2342 CC(NCc1cccnc1)c2cncnc2 269862a_100000210453_100000757475 [0,1,0,0,0,1|2,0,0]=4 8375 B17R2.2342 CC(NCc1cccnc1)c2ncccn2 2230a_100020641698_100000741622 [0,1,0,0,0,1|2,0,0]=4 8376 B17R2.2342 CC(NCc1cccnc1)c2ncccn2 270004a_100000210453_100011350828 [0,1,0,0,0,1|2,0,0]=4 8377 B17R2.2342 CC(NCc1cccnc1)c2ncccn2 270004a_100020641698_100000209961 [0,1,0,0,0,1|2,0,0]=4 8378 B17R2.2342 CC(NCc1cccnn1)c2ccccc2 2230a_100159270163_100000230085 [0,1,0,0,0,1|1,0,0]=3 8379 B17R2.2342 CC(NCc1cccnn1)c2ccccc2 269862a_100159270163_100000185851 [0,1,0,0,0,1|1,0,0]=3 8380 B17R2.2342 CC(NCc1cccnn1)c2ccccn2 2230a_100000181244_100016990269 [0,1,0,0,0,1|2,0,0]=4 8381 B17R2.2342 CC(NCc1cccnn1)c2ccccn2 269862a_100159270163_100000210467 [0,1,0,0,0,1|2,0,0]=4 8382 B17R2.2342 CC(NCc1cccnn1)c2cccnc2 2230a_100000195435_100016990269 [0,1,0,0,0,1|2,0,0]=4 8383 B17R2.2342 CC(NCc1cccnn1)c2cccnc2 269862a_100159270163_100000210468 [0,1,0,0,0,1|2,0,0]=4 8384 B17R2.2342 CC(NCc1cccnn1)c2ccncc2 2230a_100000181269_100016990269 [0,1,0,0,0,1|2,0,0]=4 8385 B17R2.2342 CC(NCc1cccnn1)c2ccncc2 269862a_100159270163_100000185792 [0,1,0,0,0,1|2,0,0]=4 8386 B17R2.2342 CC(NCc1ccncc1)c2ccccc2 269862a_100000210450_100000185851 [0,1,0,0,0,1|2,0,0]=4 8387 B17R2.2342 CC(NCc1ccncc1)c2cccnc2 207a_100000195435_100000186114 [0,1,0,0,0,1|1,0,0]=3 8388 B17R2.2342 CC(NCc1ccncc1)c2cccnc2 2230a_100000195435_100015193705 [0,1,0,0,0,1|1,0,0]=3 8389 B17R2.2342 CC(NCc1ccncc1)c2cccnc2 269862a_100000210450_100000210468 [0,1,0,0,0,1|1,0,0]=3 8390 B17R2.2342 CC(NCc1ccncc1)c2cccnn2 269862a_100000210450_100009866853 [0,1,0,0,0,1|2,0,0]=4 8391 B17R2.2342 CC(NCc1ccncc1)c2ccnnc2 269862a_100000210450_100012182992 [0,1,0,0,0,1|2,0,0]=4 8392 B17R2.2342 CC(NCc1ccncc1)c2cnccn2 269862a_100000210450_100000751083 [0,1,0,0,0,1|2,0,0]=4 8393 B17R2.2342 CC(NCc1ccncc1)c2cncnc2 269862a_100000210450_100000757475 [0,1,0,0,0,1|2,0,0]=4 8394 B17R2.2342 CC(NCc1ccnnc1)c2ccccn2 270004a_100000181244_100011934578 [0,1,0,0,0,1|2,0,0]=4 8395 B17R2.2342 CC(NCc1ccnnc1)c2cccnc2 270004a_100000195435_100011934578 [0,1,0,0,0,1|2,0,0]=4 8396 B17R2.2342 CC(NCc1ccnnc1)c2ccncc2 270004a_100000181269_100011934578 [0,1,0,0,0,1|2,0,0]=4 8397 B17R2.2342 CC(NCc1cnccn1)c2ccccn2 2230a_100000181244_100016995436 [0,1,0,0,0,1|2,0,0]=4 8398 B17R2.2342 CC(NCc1cnccn1)c2ccccn2 270004a_100000181244_100000749867 [0,1,0,0,0,1|2,0,0]=4 8399 B17R2.2342 CC(NCc1cnccn1)c2cccnc2 2230a_100000195435_100016995436 [0,1,0,0,0,1|2,0,0]=4 8400 B17R2.2342 CC(NCc1cnccn1)c2cccnc2 270004a_100000195435_100000749867 [0,1,0,0,0,1|2,0,0]=4 8401 B17R2.2342 CC(NCc1cnccn1)c2ccncc2 2230a_100000181269_100016995436 [0,1,0,0,0,1|2,0,0]=4 8402 B17R2.2342 CC(NCc1cnccn1)c2ccncc2 270004a_100000181269_100000749867 [0,1,0,0,0,1|2,0,0]=4 8403 B17R2.2342 CC(NCc1cncnc1)c2ccccc2 2230a_100011243677_100000230085 [0,1,0,0,0,1|1,0,0]=3 8404 B17R2.2342 CC(NCc1cncnc1)c2ccccc2 269862a_100011243677_100000185851 [0,1,0,0,0,1|1,0,0]=3 8405 B17R2.2342 CC(NCc1cncnc1)c2ccccn2 2230a_100000181244_100015196519 [0,1,0,0,0,1|2,0,0]=4 8406 B17R2.2342 CC(NCc1cncnc1)c2ccccn2 269862a_100011243677_100000210467 [0,1,0,0,0,1|2,0,0]=4 8407 B17R2.2342 CC(NCc1cncnc1)c2ccccn2 270004a_100000181244_100000749868 [0,1,0,0,0,1|2,0,0]=4 8408 B17R2.2342 CC(NCc1cncnc1)c2cccnc2 2230a_100000195435_100015196519 [0,1,0,0,0,1|2,0,0]=4 8409 B17R2.2342 CC(NCc1cncnc1)c2cccnc2 269862a_100011243677_100000210468 [0,1,0,0,0,1|2,0,0]=4 8410 B17R2.2342 CC(NCc1cncnc1)c2cccnc2 270004a_100000195435_100000749868 [0,1,0,0,0,1|2,0,0]=4 8411 B17R2.2342 CC(NCc1cncnc1)c2ccncc2 2230a_100000181269_100015196519 [0,1,0,0,0,1|2,0,0]=4 8412 B17R2.2342 CC(NCc1cncnc1)c2ccncc2 269862a_100011243677_100000185792 [0,1,0,0,0,1|2,0,0]=4 8413 B17R2.2342 CC(NCc1cncnc1)c2ccncc2 270004a_100000181269_100000749868 [0,1,0,0,0,1|2,0,0]=4 8414 B17R2.2342 CC(NCc1ncccn1)c2cccnc2 2230a_100000195435_100000703007 [0,1,0,0,0,1|2,0,0]=4 8415 B17R2.2342 CC(NCc1ncccn1)c2cccnc2 270004a_100000195435_100011532527 [0,1,0,0,0,1|2,0,0]=4 8416 B17R2.2342 CC(OCc1ccccc1)c2ccccc2 34a_100000210790_100000211855 [0,1,0,0,0,1|2,0,0]=4 8417 B17R2.2342 CC(OCc1ccccc1)c2ccccc2 7a_100000210790_100000230085 [0,1,0,0,0,1|2,0,0]=4 8418 B17R2.2342 CC(OCc1ccccc1)c2cnccn2 7a_100000210790_200000703233 [0,1,0,0,0,1|2,0,0]=4 8419 B17R2.2342 CC(SCc1ccccc1)c2ccccc2 62a_100000211182_100000230085 [0,1,0,0,0,1|2,0,0]=4 8420 B17R2.2342 CC(SCc1ccccc1)c2ccccc2 62a_100000230085_100015291786 [0,1,0,0,0,1|2,0,0]=4 8421 B17R2.2342 CC(SCc1ccccc1)c2cnccn2 62a_100000211182_200000703233 [0,1,0,0,0,1|2,0,0]=4 8422 B17R2.2342 CC(SCc1ccccc1)c2cnccn2 62a_200000703233_100015291786 [0,1,0,0,0,1|2,0,0]=4 8423 B17R2.2342 CC(SCc1cccnc1)c2ccccc2 62a_100000230085_100000741622 [0,1,0,0,0,1|1,0,0]=3 8424 B17R2.2342 CC(SCc1cccnc1)c2ccccc2 62a_100000741622_100000230085 [0,1,0,0,0,1|1,0,0]=3 8425 B17R2.2342 CC(SCc1cccnn1)c2ccccc2 62a_100000230085_100016990269 [0,1,0,0,0,1|2,0,0]=4 8426 B17R2.2342 CC(SCc1cccnn1)c2ccccc2 62a_100016990269_100000230085 [0,1,0,0,0,1|2,0,0]=4 8427 B17R2.2342 CC(SCc1cnccn1)c2ccccc2 62a_100000230085_100016995436 [0,1,0,0,0,1|2,0,0]=4 8428 B17R2.2342 CC(SCc1cnccn1)c2ccccc2 62a_100016995436_100000230085 [0,1,0,0,0,1|2,0,0]=4 8429 B17R2.2342 CC(SCc1cncnc1)c2ccccc2 62a_100000230085_100015196519 [0,1,0,0,0,1|2,0,0]=4 8430 B17R2.2342 CC(SCc1cncnc1)c2ccccc2 62a_100015196519_100000230085 [0,1,0,0,0,1|2,0,0]=4 8431 B17R2.2342 CN(CCc1ccccc1)c2ccccc2 2230a_100000210012_100000765856 [0,1,0,0,0,1|1,0,0]=3 8432 B17R2.2342 CN(CCc1ccccc1)c2ccccc2 269982a_100000210012_100000765856 [0,1,0,0,0,1|1,0,0]=3 8433 B17R2.2342 CN(CCc1ccccc1)c2ccccc2 34a_100000210012_100000765856 [0,1,0,0,0,1|1,0,0]=3 8434 B17R2.2342 CN(CCc1ccccc1)c2cccnn2 27a_100000207497_100016991348 [0,1,0,0,0,1|2,0,0]=4 8435 B17R2.2342 CN(CCc1ccccc1)c2cnccn2 27a_100000207497_100000211759 [0,1,0,0,0,1|2,0,0]=4 8436 B17R2.2342 CN(CCc1ccccn1)c2ccccc2 2230a_100000210012_100015183660 [0,1,0,0,0,1|2,0,0]=4 8437 B17R2.2342 CN(CCc1ccccn1)c2ccccc2 269982a_100000210012_100015183660 [0,1,0,0,0,1|2,0,0]=4 8438 B17R2.2342 CN(CCc1cccnc1)c2ccccc2 2230a_100000210012_200011713674 [0,1,0,0,0,1|0,0,0]=2 8439 B17R2.2342 CN(CCc1cccnc1)c2ccccc2 269982a_100000210012_200011713674 [0,1,0,0,0,1|0,0,0]=2 8440 B17R2.2342 CN(CCc1cccnc1)c2cccnn2 27a_100000763209_100016991348 [0,1,0,0,0,1|2,0,0]=4 8441 B17R2.2342 CN(CCc1cccnc1)c2ccncn2 27a_100000763209_100000703185 [0,1,0,0,0,1|2,0,0]=4 8442 B17R2.2342 CN(CCc1cccnc1)c2cnccn2 27a_100000763209_100000211759 [0,1,0,0,0,1|2,0,0]=4 8443 B17R2.2342 CN(CCc1cccnc1)c2ncccn2 27a_100000763209_100000211032 [0,1,0,0,0,1|2,0,0]=4 8444 B17R2.2342 CN(CCc1ccncc1)c2ccccc2 2230a_100000210012_100000723409 [0,1,0,0,0,1|2,0,0]=4 8445 B17R2.2342 CN(CCc1ccncc1)c2ccccc2 269982a_100000210012_100000723409 [0,1,0,0,0,1|2,0,0]=4 8446 B17R2.2342 CN(CSc1ccccc1)c2ccccc2 2230a_100000210012_100011218342 [0,1,0,0,0,1|1,0,0]=3 8447 B17R2.2342 CN(CSc1ccccc1)c2ccccc2 269982a_100000210012_100011218342 [0,1,0,0,0,1|1,0,0]=3 8448 B17R2.2342 C[C@@H](NCc1ccccc1)c2ccccc2 207a_100000751104_100015611070 [0,1,0,0,0,1|1,0,0]=3 8449 B17R2.2342 C[C@@H](NCc1ccccc1)c2ccccc2 2230a_100000751104_100015291786 [0,1,0,0,0,1|1,0,0]=3 8450 B17R2.2342 C[C@@H](NCc1ccccc1)c2ccccc2 270004a_100000751104_100015611070 [0,1,0,0,0,1|1,0,0]=3 8451 B17R2.2342 C[C@@H](NCc1ccccc1)c2cnccn2 207a_100020589798_100015611070 [0,1,0,0,0,1|1,0,0]=3 8452 B17R2.2342 C[C@@H](NCc1ccccc1)c2cnccn2 2230a_100020589798_100015291786 [0,1,0,0,0,1|1,0,0]=3 8453 B17R2.2342 C[C@@H](NCc1ccccc1)c2cnccn2 270004a_100020589798_100015611070 [0,1,0,0,0,1|1,0,0]=3 8454 B17R2.2342 C[C@@H](NCc1ccccn1)c2ccccc2 207a_100000751104_100000209966 [0,1,0,0,0,1|2,0,0]=4 8455 B17R2.2342 C[C@@H](NCc1ccccn1)c2ccccc2 2230a_100000751104_100000721315 [0,1,0,0,0,1|2,0,0]=4 8456 B17R2.2342 C[C@@H](NCc1ccccn1)c2ccccc2 270004a_100000751104_100000209966 [0,1,0,0,0,1|2,0,0]=4 8457 B17R2.2342 C[C@@H](NCc1ccccn1)c2cnccn2 207a_100020589798_100000209966 [0,1,0,0,0,1|2,0,0]=4 8458 B17R2.2342 C[C@@H](NCc1ccccn1)c2cnccn2 2230a_100020589798_100000721315 [0,1,0,0,0,1|2,0,0]=4 8459 B17R2.2342 C[C@@H](NCc1ccccn1)c2cnccn2 270004a_100020589798_100000209966 [0,1,0,0,0,1|2,0,0]=4 8460 B17R2.2342 C[C@@H](NCc1cccnc1)c2ccccc2 207a_100000751104_100000209961 [0,1,0,0,0,1|0,0,0]=2 8461 B17R2.2342 C[C@@H](NCc1cccnc1)c2ccccc2 2230a_100000751104_100000741622 [0,1,0,0,0,1|0,0,0]=2 8462 B17R2.2342 C[C@@H](NCc1cccnc1)c2ccccc2 270004a_100000751104_100000209961 [0,1,0,0,0,1|0,0,0]=2 8463 B17R2.2342 C[C@@H](NCc1cccnc1)c2cnccn2 207a_100020589798_100000209961 [0,1,0,0,0,1|2,0,0]=4 8464 B17R2.2342 C[C@@H](NCc1cccnc1)c2cnccn2 2230a_100020589798_100000741622 [0,1,0,0,0,1|2,0,0]=4 8465 B17R2.2342 C[C@@H](NCc1cccnc1)c2cnccn2 270004a_100020589798_100000209961 [0,1,0,0,0,1|2,0,0]=4 8466 B17R2.2342 C[C@@H](NCc1cccnn1)c2ccccc2 2230a_100000751104_100016990269 [0,1,0,0,0,1|1,0,0]=3 8467 B17R2.2342 C[C@@H](NCc1ccncc1)c2ccccc2 207a_100000751104_100000186114 [0,1,0,0,0,1|2,0,0]=4 8468 B17R2.2342 C[C@@H](NCc1ccncc1)c2ccccc2 2230a_100000751104_100015193705 [0,1,0,0,0,1|2,0,0]=4 8469 B17R2.2342 C[C@@H](NCc1ccncc1)c2cnccn2 207a_100020589798_100000186114 [0,1,0,0,0,1|2,0,0]=4 8470 B17R2.2342 C[C@@H](NCc1ccncc1)c2cnccn2 2230a_100020589798_100015193705 [0,1,0,0,0,1|2,0,0]=4 8471 B17R2.2342 C[C@@H](NCc1ccnnc1)c2ccccc2 270004a_100000751104_100011934578 [0,1,0,0,0,1|1,0,0]=3 8472 B17R2.2342 C[C@@H](NCc1cnccn1)c2ccccc2 2230a_100000751104_100016995436 [0,1,0,0,0,1|1,0,0]=3 8473 B17R2.2342 C[C@@H](NCc1cnccn1)c2ccccc2 270004a_100000751104_100000749867 [0,1,0,0,0,1|1,0,0]=3 8474 B17R2.2342 C[C@@H](NCc1cncnc1)c2ccccc2 2230a_100000751104_100015196519 [0,1,0,0,0,1|1,0,0]=3 8475 B17R2.2342 C[C@@H](NCc1cncnc1)c2ccccc2 270004a_100000751104_100000749868 [0,1,0,0,0,1|1,0,0]=3 8476 B17R2.2342 C[C@@H](OCc1ccccc1)c2ccccc2 34a_100000761318_100015291786 [0,1,0,0,0,1|2,0,0]=4 8477 B17R2.2342 C[C@@H](OCc1ccccc1)c2ccccc2 7a_100000761318_100000211182 [0,1,0,0,0,1|2,0,0]=4 8478 B17R2.2342 C[C@@H](OCc1cccnc1)c2ccccc2 34a_100000761318_100000733263 [0,1,0,0,0,1|1,0,0]=3 8479 B17R2.2342 C[C@@H](OCc1cccnc1)c2ccccc2 7a_100000761318_100000741622 [0,1,0,0,0,1|1,0,0]=3 8480 B17R2.2342 C[C@@H](OCc1cccnn1)c2ccccc2 34a_100000761318_100016990269 [0,1,0,0,0,1|2,0,0]=4 8481 B17R2.2342 C[C@@H](OCc1cccnn1)c2ccccc2 7a_100000761318_100016990269 [0,1,0,0,0,1|2,0,0]=4 8482 B17R2.2342 C[C@@H](OCc1cnccn1)c2ccccc2 34a_100000761318_100016995436 [0,1,0,0,0,1|2,0,0]=4 8483 B17R2.2342 C[C@@H](OCc1cnccn1)c2ccccc2 7a_100000761318_100016995436 [0,1,0,0,0,1|2,0,0]=4 8484 B17R2.2342 C[C@@H](OCc1cncnc1)c2ccccc2 34a_100000761318_100015196519 [0,1,0,0,0,1|2,0,0]=4 8485 B17R2.2342 C[C@@H](OCc1cncnc1)c2ccccc2 7a_100000761318_100015196519 [0,1,0,0,0,1|2,0,0]=4 8486 B17R2.2342 O=C(CCc1ccccc1)c2ccccc2 1458a_100000185807_100000765856 [0,1,0,0,0,1|2,0,0]=4 8487 B17R2.2342 O=C(CCc1cccnc1)c2ccccc2 1458a_100000185807_200011713674 [0,1,0,0,0,1|1,0,0]=3 8488 B17R2.2342 O=C(CNc1ccccc1)c2ccccn2 34a_100000106764_100000027445 [0,1,0,0,0,1|2,0,0]=4 8489 B17R2.2342 O=C(COc1ccccc1)c2ccccc2 7a_100000210340_100000211460 [0,1,0,0,0,1|2,0,0]=4 8490 B17R2.2342 O=C(COc1cccnc1)c2ccccc2 7a_100000210849_100000211460 [0,1,0,0,0,1|1,0,0]=3 8491 B17R2.2342 O=C(COc1cccnc1)c2ccccn2 34a_100000210849_100000027445 [0,1,0,0,0,1|2,0,0]=4 8492 B17R2.2342 O=C(COc1cccnc1)c2ccccn2 7a_100000210849_100000027445 [0,1,0,0,0,1|2,0,0]=4 8493 B17R2.2342 O=C(COc1cccnc1)c2ccncc2 7a_100000210849_100015248511 [0,1,0,0,0,1|2,0,0]=4 8494 B17R2.2342 O=C(COc1cncnc1)c2ccccc2 7a_100000754086_100000211460 [0,1,0,0,0,1|2,0,0]=4 8495 B17R2.2342 O=C(CSc1ccccc1)c2ccccc2 62a_100000211460_100000041952 [0,1,0,0,0,1|2,0,0]=4 8496 B17R2.2342 O=C(CSc1ccccc1)c2ccccc2 62a_100000719477_100000211460 [0,1,0,0,0,1|2,0,0]=4 8497 B17R2.2342 O=C(CSc1ccccc1)c2cccnc2 62a_100000719477_100000757877 [0,1,0,0,0,1|1,0,0]=3 8498 B17R2.2342 O=C(CSc1ccccc1)c2cccnc2 62a_100000757877_100000041952 [0,1,0,0,0,1|1,0,0]=3 8499 B17R2.2342 O=C(CSc1ccccn1)c2cccnc2 62a_100000757877_100011216584 [0,1,0,0,0,1|2,0,0]=4 8500 B17R2.2342 O=C(CSc1ccccn1)c2cccnc2 62a_100011216584_100000757877 [0,1,0,0,0,1|2,0,0]=4 8501 B17R2.2342 O=C(CSc1cccnc1)c2ccccc2 62a_100000210063_100000211460 [0,1,0,0,0,1|1,0,0]=3 8502 B17R2.2342 O=C(CSc1cccnc1)c2ccccc2 62a_100000211460_100000210063 [0,1,0,0,0,1|1,0,0]=3 8503 B17R2.2342 O=C(CSc1cccnc1)c2ccccn2 62a_100000027445_100000210063 [0,1,0,0,0,1|2,0,0]=4 8504 B17R2.2342 O=C(CSc1cccnc1)c2ccccn2 62a_100000210063_100000027445 [0,1,0,0,0,1|2,0,0]=4 8505 B17R2.2342 O=C(CSc1cccnc1)c2cccnc2 62a_100000210063_100000757877 [0,1,0,0,0,1|2,0,0]=4 8506 B17R2.2342 O=C(CSc1cccnc1)c2cccnc2 62a_100000757877_100000210063 [0,1,0,0,0,1|2,0,0]=4 8507 B17R2.2342 O=C(CSc1cccnc1)c2ccncc2 62a_100000027454_100000210063 [0,1,0,0,0,1|2,0,0]=4 8508 B17R2.2342 O=C(CSc1cccnc1)c2ccncc2 62a_100000210063_100000027454 [0,1,0,0,0,1|2,0,0]=4 8509 B17R2.2342 O=C(CSc1cccnn1)c2ccccc2 62a_100000211460_100016991348 [0,1,0,0,0,1|2,0,0]=4 8510 B17R2.2342 O=C(CSc1cccnn1)c2ccccc2 62a_100016991348_100000211460 [0,1,0,0,0,1|2,0,0]=4 8511 B17R2.2342 O=C(CSc1ccncc1)c2cccnc2 62a_100000728582_100000757877 [0,1,0,0,0,1|2,0,0]=4 8512 B17R2.2342 O=C(CSc1ccncc1)c2cccnc2 62a_100000757877_100000728582 [0,1,0,0,0,1|2,0,0]=4 8513 B17R2.2342 O=C(CSc1ccnnc1)c2ccccc2 62a_100000211460_100000732662 [0,1,0,0,0,1|2,0,0]=4 8514 B17R2.2342 O=C(CSc1ccnnc1)c2ccccc2 62a_100000732662_100000211460 [0,1,0,0,0,1|2,0,0]=4 8515 B17R2.2342 O=C(CSc1cnccn1)c2ccccc2 62a_100000211460_100000211759 [0,1,0,0,0,1|2,0,0]=4 8516 B17R2.2342 O=C(CSc1cnccn1)c2ccccc2 62a_100000211759_100000211460 [0,1,0,0,0,1|2,0,0]=4 8517 B17R2.2342 O=C(CSc1cncnc1)c2ccccc2 62a_100000211460_100011206942 [0,1,0,0,0,1|2,0,0]=4 8518 B17R2.2342 O=C(CSc1cncnc1)c2ccccc2 62a_100011206942_100000211460 [0,1,0,0,0,1|2,0,0]=4 8519 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 11a_100015324214_100000185807 [0,1,0,0,0,1|1,0,0]=3 8520 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 1626a_100015324214_100000185807 [0,1,0,0,0,1|1,0,0]=3 8521 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 240690a_100015324214_100000185807 [0,1,0,0,0,1|1,0,0]=3 8522 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 527a_100015324214_100000185807 [0,1,0,0,0,1|1,0,0]=3 8523 B17R2.2342 O=C(NCc1ccccn1)c2ccccc2 11a_100000210449_100000185807 [0,1,0,0,0,1|2,0,0]=4 8524 B17R2.2342 O=C(NCc1ccccn1)c2ccccc2 1626a_100000210449_100000185807 [0,1,0,0,0,1|2,0,0]=4 8525 B17R2.2342 O=C(NCc1ccccn1)c2ccccc2 240690a_100000210449_100000185807 [0,1,0,0,0,1|2,0,0]=4 8526 B17R2.2342 O=C(NCc1ccccn1)c2ccccc2 527a_100000210449_100000185807 [0,1,0,0,0,1|2,0,0]=4 8527 B17R2.2342 O=C(NCc1cccnc1)c2ccccc2 11a_100000210453_100000185807 [0,1,0,0,0,1|0,0,0]=2 8528 B17R2.2342 O=C(NCc1cccnc1)c2ccccc2 240690a_100000210453_100000185807 [0,1,0,0,0,1|0,0,0]=2 8529 B17R2.2342 O=C(NCc1cccnc1)c2ccccc2 527a_100000210453_100000185807 [0,1,0,0,0,1|0,0,0]=2 8530 B17R2.2342 O=C(NCc1cccnn1)c2ccccc2 11a_100159270163_100000185807 [0,1,0,0,0,1|1,0,0]=3 8531 B17R2.2342 O=C(NCc1cccnn1)c2ccccc2 240690a_100159270163_100000185807 [0,1,0,0,0,1|1,0,0]=3 8532 B17R2.2342 O=C(NCc1cccnn1)c2ccccc2 527a_100159270163_100000185807 [0,1,0,0,0,1|1,0,0]=3 8533 B17R2.2342 O=C(NCc1ccncc1)c2ccccc2 11a_100000210450_100000185807 [0,1,0,0,0,1|2,0,0]=4 8534 B17R2.2342 O=C(NCc1ccncc1)c2ccccc2 1626a_100000210450_100000185807 [0,1,0,0,0,1|2,0,0]=4 8535 B17R2.2342 O=C(NCc1ccncc1)c2ccccc2 240690a_100000210450_100000185807 [0,1,0,0,0,1|2,0,0]=4 8536 B17R2.2342 O=C(NCc1ccncc1)c2ccccc2 527a_100000210450_100000185807 [0,1,0,0,0,1|2,0,0]=4 8537 B17R2.2342 O=C(NCc1cnccn1)c2ccccc2 11a_100000737960_100000185807 [0,1,0,0,0,1|1,0,0]=3 8538 B17R2.2342 O=C(NCc1cnccn1)c2ccccc2 240690a_100000737960_100000185807 [0,1,0,0,0,1|1,0,0]=3 8539 B17R2.2342 O=C(NCc1cnccn1)c2ccccc2 527a_100000737960_100000185807 [0,1,0,0,0,1|1,0,0]=3 8540 B17R2.2342 O=C(NCc1cncnc1)c2ccccc2 11a_100011243677_100000185807 [0,1,0,0,0,1|1,0,0]=3 8541 B17R2.2342 O=C(NCc1cncnc1)c2ccccc2 240690a_100011243677_100000185807 [0,1,0,0,0,1|1,0,0]=3 8542 B17R2.2342 O=C(NCc1cncnc1)c2ccccc2 527a_100011243677_100000185807 [0,1,0,0,0,1|1,0,0]=3 8543 B17R2.2342 O=C(NNc1ccccc1)c2ccccc2 22a_100015195140_100000185807 [0,1,0,0,0,1|1,0,1]=4 8544 B17R2.2342 O=C(NNc1cccnc1)c2ccccc2 22a_100000728903_100000185807 [0,1,0,0,0,1|1,0,0]=3 8545 B17R2.2342 O=C(NNc1cccnn1)c2ccccc2 22a_100000757824_100000185807 [0,1,0,0,0,1|2,0,0]=4 8546 B17R2.2342 O=C(NNc1cnccn1)c2ccccc2 22a_100000736894_100000185807 [0,1,0,0,0,1|2,0,0]=4 8547 B17R2.2342 O=S(CSc1ccccc1)c2ccccc2 62a_100000719477_100000031784 [0,1,0,0,0,1|2,0,0]=4 8548 B17R2.2342 O=S(CSc1cccnc1)c2ccccc2 62a_100000210063_100000031784 [0,1,0,0,0,1|1,0,0]=3 8549 B17R2.2342 O=S(CSc1cccnn1)c2ccccc2 62a_100016991348_100000031784 [0,1,0,0,0,1|2,0,0]=4 8550 B17R2.2342 O=S(CSc1ccnnc1)c2ccccc2 62a_100000732662_100000031784 [0,1,0,0,0,1|2,0,0]=4 8551 B17R2.2342 O=S(CSc1cnccn1)c2ccccc2 62a_100000211759_100000031784 [0,1,0,0,0,1|2,0,0]=4 8552 B17R2.2342 O=S(CSc1cncnc1)c2ccccc2 62a_100011206942_100000031784 [0,1,0,0,0,1|2,0,0]=4 8553 B17R2.2342 OC(CNc1ccccc1)c2ccccc2 34a_100000106764_100000185958 [0,1,0,0,0,1|1,0,0]=3 8554 B17R2.2342 OC(CNc1cccnn1)c2ccccc2 27a_100000210709_100016991348 [0,1,0,0,0,1|2,0,0]=4 8555 B17R2.2342 OC(CNc1cccnn1)c2cccnc2 27a_100020605170_100016991348 [0,1,0,0,0,1|2,0,0]=4 8556 B17R2.2342 OC(CNc1ccncn1)c2cccnc2 27a_100020605170_100000703185 [0,1,0,0,0,1|2,0,0]=4 8557 B17R2.2342 OC(CNc1cnccn1)c2ccccc2 27a_100000210709_100000211759 [0,1,0,0,0,1|2,0,0]=4 8558 B17R2.2342 OC(CNc1cnccn1)c2cccnc2 27a_100020605170_100000211759 [0,1,0,0,0,1|2,0,0]=4 8559 B17R2.2342 OC(CNc1ncccn1)c2cccnc2 27a_100020605170_100000211032 [0,1,0,0,0,1|2,0,0]=4 8560 B17R2.2342 OC(COc1ccccc1)c2ccccc2 34a_100000210340_100000185958 [0,1,0,0,0,1|2,0,0]=4 8561 B17R2.2342 OC(COc1ccccc1)c2ccccc2 7a_100000210340_100000185958 [0,1,0,0,0,1|2,0,0]=4 8562 B17R2.2342 OC(COc1cccnc1)c2ccccc2 34a_100000210849_100000185958 [0,1,0,0,0,1|1,0,0]=3 8563 B17R2.2342 OC(COc1cccnc1)c2ccccc2 7a_100000210849_100000185958 [0,1,0,0,0,1|1,0,0]=3 8564 B17R2.2342 OC(COc1ccnnc1)c2ccccc2 34a_100015204005_100000185958 [0,1,0,0,0,1|2,0,0]=4 8565 B17R2.2342 OC(COc1cncnc1)c2ccccc2 7a_100000754086_100000185958 [0,1,0,0,0,1|2,0,0]=4 8566 B17R2.2342 OC(CSc1ccccc1)c2ccccc2 62a_100000185958_100000041952 [0,1,0,0,0,1|2,0,0]=4 8567 B17R2.2342 OC(CSc1ccccc1)c2ccccc2 62a_100000719477_100000185958 [0,1,0,0,0,1|2,0,0]=4 8568 B17R2.2342 OC(CSc1cccnc1)c2ccccc2 62a_100000185958_100000210063 [0,1,0,0,0,1|1,0,0]=3 8569 B17R2.2342 OC(CSc1cccnc1)c2ccccc2 62a_100000210063_100000185958 [0,1,0,0,0,1|1,0,0]=3 8570 B17R2.2342 OC(CSc1cccnn1)c2ccccc2 62a_100000185958_100016991348 [0,1,0,0,0,1|2,0,0]=4 8571 B17R2.2342 OC(CSc1cccnn1)c2ccccc2 62a_100016991348_100000185958 [0,1,0,0,0,1|2,0,0]=4 8572 B17R2.2342 OC(CSc1ccnnc1)c2ccccc2 62a_100000185958_100000732662 [0,1,0,0,0,1|2,0,0]=4 8573 B17R2.2342 OC(CSc1ccnnc1)c2ccccc2 62a_100000732662_100000185958 [0,1,0,0,0,1|2,0,0]=4 8574 B17R2.2342 OC(CSc1cnccn1)c2ccccc2 62a_100000185958_100000211759 [0,1,0,0,0,1|2,0,0]=4 8575 B17R2.2342 OC(CSc1cnccn1)c2ccccc2 62a_100000211759_100000185958 [0,1,0,0,0,1|2,0,0]=4 8576 B17R2.2342 OC(CSc1cncnc1)c2ccccc2 62a_100000185958_100011206942 [0,1,0,0,0,1|2,0,0]=4 8577 B17R2.2342 OC(CSc1cncnc1)c2ccccc2 62a_100011206942_100000185958 [0,1,0,0,0,1|2,0,0]=4 8578 B17R2.2342 O[C@H](CNc1ccccc1)c2ccccc2 34a_100000106764_100011933945 [0,1,0,0,0,1|1,0,0]=3 8579 B17R2.2342 O[C@H](COc1ccccc1)c2ccccc2 34a_100000210340_100011933945 [0,1,0,0,0,1|2,0,0]=4 8580 B17R2.2342 O[C@H](COc1ccccc1)c2ccccc2 7a_100000210340_100011933945 [0,1,0,0,0,1|2,0,0]=4 8581 B17R2.2342 O[C@H](COc1cccnc1)c2ccccc2 34a_100000210849_100011933945 [0,1,0,0,0,1|1,0,0]=3 8582 B17R2.2342 O[C@H](COc1cccnc1)c2ccccc2 7a_100000210849_100011933945 [0,1,0,0,0,1|1,0,0]=3 8583 B17R2.2342 O[C@H](COc1ccnnc1)c2ccccc2 34a_100015204005_100011933945 [0,1,0,0,0,1|2,0,0]=4 8584 B17R2.2342 O[C@H](COc1cncnc1)c2ccccc2 7a_100000754086_100011933945 [0,1,0,0,0,1|2,0,0]=4 8585 B17R2.2342 O[C@H](CSc1ccccc1)c2ccccc2 62a_100000719477_100011933945 [0,1,0,0,0,1|2,0,0]=4 8586 B17R2.2342 O[C@H](CSc1ccccc1)c2ccccc2 62a_100011933945_100000041952 [0,1,0,0,0,1|2,0,0]=4 8587 B17R2.2342 O[C@H](CSc1cccnc1)c2ccccc2 62a_100000210063_100011933945 [0,1,0,0,0,1|1,0,0]=3 8588 B17R2.2342 O[C@H](CSc1cccnc1)c2ccccc2 62a_100011933945_100000210063 [0,1,0,0,0,1|1,0,0]=3 8589 B17R2.2342 O[C@H](CSc1cccnn1)c2ccccc2 62a_100011933945_100016991348 [0,1,0,0,0,1|2,0,0]=4 8590 B17R2.2342 O[C@H](CSc1cccnn1)c2ccccc2 62a_100016991348_100011933945 [0,1,0,0,0,1|2,0,0]=4 8591 B17R2.2342 O[C@H](CSc1ccnnc1)c2ccccc2 62a_100000732662_100011933945 [0,1,0,0,0,1|2,0,0]=4 8592 B17R2.2342 O[C@H](CSc1ccnnc1)c2ccccc2 62a_100011933945_100000732662 [0,1,0,0,0,1|2,0,0]=4 8593 B17R2.2342 O[C@H](CSc1cnccn1)c2ccccc2 62a_100000211759_100011933945 [0,1,0,0,0,1|2,0,0]=4 8594 B17R2.2342 O[C@H](CSc1cnccn1)c2ccccc2 62a_100011933945_100000211759 [0,1,0,0,0,1|2,0,0]=4 8595 B17R2.2342 O[C@H](CSc1cncnc1)c2ccccc2 62a_100011206942_100011933945 [0,1,0,0,0,1|2,0,0]=4 8596 B17R2.2342 O[C@H](CSc1cncnc1)c2ccccc2 62a_100011933945_100011206942 [0,1,0,0,0,1|2,0,0]=4 8597 B17R2.3956 Brc1ccccc1C=CCc2ccccc2 271570a_200016263579_100000695589 [0,1,0,0,0,1|2,0,0]=4 8598 B17R2.3956 Brc1ccccc1C=NNc2ccccc2 4a_100015195140_100000211189 [0,1,0,0,0,1|1,0,1]=4 8599 B17R2.3956 Brc1ccccc1C=NNc2cccnc2 4a_100000728903_100000211189 [0,1,0,0,0,1|1,0,1]=4 8600 B17R2.3956 Brc1ccccc1CCNc2ccccc2 34a_100000106764_100012161201 [0,1,0,0,0,1|1,0,0]=3 8601 B17R2.3956 Brc1ccccc1CCNc2cccnn2 27a_100000747383_100016991348 [0,1,0,0,0,1|2,0,0]=4 8602 B17R2.3956 Brc1ccccc1CCNc2cnccn2 27a_100000747383_100000211759 [0,1,0,0,0,1|2,0,0]=4 8603 B17R2.3956 Brc1ccccc1CCOc2ccccc2 34a_100000210340_100012161201 [0,1,0,0,0,1|2,0,0]=4 8604 B17R2.3956 Brc1ccccc1CCOc2ccccc2 7a_100000210340_100012161201 [0,1,0,0,0,1|2,0,0]=4 8605 B17R2.3956 Brc1ccccc1CCOc2cccnc2 34a_100000210849_100012161201 [0,1,0,0,0,1|1,0,0]=3 8606 B17R2.3956 Brc1ccccc1CCOc2cccnc2 7a_100000210849_100012161201 [0,1,0,0,0,1|1,0,0]=3 8607 B17R2.3956 Brc1ccccc1CCOc2ccnnc2 34a_100015204005_100012161201 [0,1,0,0,0,1|2,0,0]=4 8608 B17R2.3956 Brc1ccccc1CCOc2cncnc2 7a_100000754086_100012161201 [0,1,0,0,0,1|2,0,0]=4 8609 B17R2.3956 Brc1ccccc1CCSc2ccccc2 62a_100000719477_100012161201 [0,1,0,0,0,1|2,0,0]=4 8610 B17R2.3956 Brc1ccccc1CCSc2ccccc2 62a_100012161201_100000041952 [0,1,0,0,0,1|2,0,0]=4 8611 B17R2.3956 Brc1ccccc1CCSc2cccnc2 62a_100000210063_100012161201 [0,1,0,0,0,1|1,0,0]=3 8612 B17R2.3956 Brc1ccccc1CCSc2cccnc2 62a_100012161201_100000210063 [0,1,0,0,0,1|1,0,0]=3 8613 B17R2.3956 Brc1ccccc1CCSc2cccnn2 62a_100012161201_100016991348 [0,1,0,0,0,1|2,0,0]=4 8614 B17R2.3956 Brc1ccccc1CCSc2cccnn2 62a_100016991348_100012161201 [0,1,0,0,0,1|2,0,0]=4 8615 B17R2.3956 Brc1ccccc1CCSc2ccnnc2 62a_100000732662_100012161201 [0,1,0,0,0,1|2,0,0]=4 8616 B17R2.3956 Brc1ccccc1CCSc2ccnnc2 62a_100012161201_100000732662 [0,1,0,0,0,1|2,0,0]=4 8617 B17R2.3956 Brc1ccccc1CCSc2cnccn2 62a_100000211759_100012161201 [0,1,0,0,0,1|2,0,0]=4 8618 B17R2.3956 Brc1ccccc1CCSc2cnccn2 62a_100012161201_100000211759 [0,1,0,0,0,1|2,0,0]=4 8619 B17R2.3956 Brc1ccccc1CCSc2cncnc2 62a_100011206942_100012161201 [0,1,0,0,0,1|2,0,0]=4 8620 B17R2.3956 Brc1ccccc1CCSc2cncnc2 62a_100012161201_100011206942 [0,1,0,0,0,1|2,0,0]=4 8621 B17R2.3956 Brc1ccccc1CNCc2ccccc2 207a_100000689332_100015611070 [0,1,0,0,0,1|1,0,0]=3 8622 B17R2.3956 Brc1ccccc1CNCc2ccccc2 207a_100015324214_100000211189 [0,1,0,0,0,1|1,0,0]=3 8623 B17R2.3956 Brc1ccccc1CNCc2ccccc2 2230a_100000689332_100015291786 [0,1,0,0,0,1|1,0,0]=3 8624 B17R2.3956 Brc1ccccc1CNCc2ccccc2 2230a_100015324214_100000184730 [0,1,0,0,0,1|1,0,0]=3 8625 B17R2.3956 Brc1ccccc1CNCc2ccccc2 270004a_100000689332_100015611070 [0,1,0,0,0,1|1,0,0]=3 8626 B17R2.3956 Brc1ccccc1CNCc2ccccc2 270004a_100015324214_100000211189 [0,1,0,0,0,1|1,0,0]=3 8627 B17R2.3956 Brc1ccccc1CNCc2ccccc2 34a_100000689332_100015291786 [0,1,0,0,0,1|1,0,0]=3 8628 B17R2.3956 Brc1ccccc1CNCc2ccccc2 34a_100015324214_100000184730 [0,1,0,0,0,1|1,0,0]=3 8629 B17R2.3956 Brc1ccccc1CNCc2ccccn2 207a_100000689332_100000209966 [0,1,0,0,0,1|2,0,0]=4 8630 B17R2.3956 Brc1ccccc1CNCc2ccccn2 2230a_100000689332_100000721315 [0,1,0,0,0,1|2,0,0]=4 8631 B17R2.3956 Brc1ccccc1CNCc2ccccn2 270004a_100000210449_100000211189 [0,1,0,0,0,1|2,0,0]=4 8632 B17R2.3956 Brc1ccccc1CNCc2ccccn2 270004a_100000689332_100000209966 [0,1,0,0,0,1|2,0,0]=4 8633 B17R2.3956 Brc1ccccc1CNCc2ccccn2 34a_100000689332_100000721315 [0,1,0,0,0,1|2,0,0]=4 8634 B17R2.3956 Brc1ccccc1CNCc2cccnc2 207a_100000210453_100000211189 [0,1,0,0,0,1|0,0,0]=2 8635 B17R2.3956 Brc1ccccc1CNCc2cccnc2 207a_100000689332_100000209961 [0,1,0,0,0,1|0,0,0]=2 8636 B17R2.3956 Brc1ccccc1CNCc2cccnc2 2230a_100000689332_100000741622 [0,1,0,0,0,1|0,0,0]=2 8637 B17R2.3956 Brc1ccccc1CNCc2cccnc2 270004a_100000210453_100000211189 [0,1,0,0,0,1|0,0,0]=2 8638 B17R2.3956 Brc1ccccc1CNCc2cccnc2 270004a_100000689332_100000209961 [0,1,0,0,0,1|0,0,0]=2 8639 B17R2.3956 Brc1ccccc1CNCc2cccnc2 34a_100000689332_100000733263 [0,1,0,0,0,1|0,0,0]=2 8640 B17R2.3956 Brc1ccccc1CNCc2cccnn2 2230a_100000689332_100016990269 [0,1,0,0,0,1|1,0,0]=3 8641 B17R2.3956 Brc1ccccc1CNCc2cccnn2 2230a_100159270163_100000184730 [0,1,0,0,0,1|1,0,0]=3 8642 B17R2.3956 Brc1ccccc1CNCc2cccnn2 34a_100000689332_100016990269 [0,1,0,0,0,1|1,0,0]=3 8643 B17R2.3956 Brc1ccccc1CNCc2ccncc2 207a_100000689332_100000186114 [0,1,0,0,0,1|2,0,0]=4 8644 B17R2.3956 Brc1ccccc1CNCc2ccncc2 2230a_100000689332_100015193705 [0,1,0,0,0,1|2,0,0]=4 8645 B17R2.3956 Brc1ccccc1CNCc2ccnnc2 270004a_100000689332_100011934578 [0,1,0,0,0,1|1,0,0]=3 8646 B17R2.3956 Brc1ccccc1CNCc2cnccn2 2230a_100000689332_100016995436 [0,1,0,0,0,1|1,0,0]=3 8647 B17R2.3956 Brc1ccccc1CNCc2cnccn2 270004a_100000689332_100000749867 [0,1,0,0,0,1|1,0,0]=3 8648 B17R2.3956 Brc1ccccc1CNCc2cnccn2 34a_100000689332_100016995436 [0,1,0,0,0,1|1,0,0]=3 8649 B17R2.3956 Brc1ccccc1CNCc2cncnc2 207a_100011243677_100000211189 [0,1,0,0,0,1|1,0,0]=3 8650 B17R2.3956 Brc1ccccc1CNCc2cncnc2 2230a_100000689332_100015196519 [0,1,0,0,0,1|1,0,0]=3 8651 B17R2.3956 Brc1ccccc1CNCc2cncnc2 2230a_100011243677_100000184730 [0,1,0,0,0,1|1,0,0]=3 8652 B17R2.3956 Brc1ccccc1CNCc2cncnc2 270004a_100000689332_100000749868 [0,1,0,0,0,1|1,0,0]=3 8653 B17R2.3956 Brc1ccccc1CNCc2cncnc2 270004a_100011243677_100000211189 [0,1,0,0,0,1|1,0,0]=3 8654 B17R2.3956 Brc1ccccc1CNCc2cncnc2 34a_100000689332_100015196519 [0,1,0,0,0,1|1,0,0]=3 8655 B17R2.3956 Brc1ccccc1COCc2ccccc2 34a_100000210790_100000184730 [0,1,0,0,0,1|2,0,0]=4 8656 B17R2.3956 Brc1ccccc1COCc2ccccc2 34a_100000756307_100015291786 [0,1,0,0,0,1|2,0,0]=4 8657 B17R2.3956 Brc1ccccc1COCc2ccccc2 7a_100000210790_100000184730 [0,1,0,0,0,1|2,0,0]=4 8658 B17R2.3956 Brc1ccccc1COCc2ccccc2 7a_100000756307_100000211182 [0,1,0,0,0,1|2,0,0]=4 8659 B17R2.3956 Brc1ccccc1COCc2cccnc2 34a_100000756307_100000733263 [0,1,0,0,0,1|1,0,0]=3 8660 B17R2.3956 Brc1ccccc1COCc2cccnc2 7a_100000756307_100000741622 [0,1,0,0,0,1|1,0,0]=3 8661 B17R2.3956 Brc1ccccc1COCc2cccnn2 34a_100000756307_100016990269 [0,1,0,0,0,1|2,0,0]=4 8662 B17R2.3956 Brc1ccccc1COCc2cccnn2 7a_100000756307_100016990269 [0,1,0,0,0,1|2,0,0]=4 8663 B17R2.3956 Brc1ccccc1COCc2cnccn2 34a_100000756307_100016995436 [0,1,0,0,0,1|2,0,0]=4 8664 B17R2.3956 Brc1ccccc1COCc2cnccn2 7a_100000756307_100016995436 [0,1,0,0,0,1|2,0,0]=4 8665 B17R2.3956 Brc1ccccc1COCc2cncnc2 34a_100000756307_100015196519 [0,1,0,0,0,1|2,0,0]=4 8666 B17R2.3956 Brc1ccccc1COCc2cncnc2 7a_100000756307_100015196519 [0,1,0,0,0,1|2,0,0]=4 8667 B17R2.3956 Brc1ccccc1CSCc2ccccc2 62a_100000184730_100015291786 [0,1,0,0,0,1|2,0,0]=4 8668 B17R2.3956 Brc1ccccc1CSCc2ccccc2 62a_100000211182_100000184730 [0,1,0,0,0,1|2,0,0]=4 8669 B17R2.3956 Brc1ccccc1CSCc2cccnc2 62a_100000184730_100000741622 [0,1,0,0,0,1|1,0,0]=3 8670 B17R2.3956 Brc1ccccc1CSCc2cccnc2 62a_100000741622_100000184730 [0,1,0,0,0,1|1,0,0]=3 8671 B17R2.3956 Brc1ccccc1CSCc2cccnn2 62a_100000184730_100016990269 [0,1,0,0,0,1|2,0,0]=4 8672 B17R2.3956 Brc1ccccc1CSCc2cccnn2 62a_100016990269_100000184730 [0,1,0,0,0,1|2,0,0]=4 8673 B17R2.3956 Brc1ccccc1CSCc2cnccn2 62a_100000184730_100016995436 [0,1,0,0,0,1|2,0,0]=4 8674 B17R2.3956 Brc1ccccc1CSCc2cnccn2 62a_100016995436_100000184730 [0,1,0,0,0,1|2,0,0]=4 8675 B17R2.3956 Brc1ccccc1CSCc2cncnc2 62a_100000184730_100015196519 [0,1,0,0,0,1|2,0,0]=4 8676 B17R2.3956 Brc1ccccc1CSCc2cncnc2 62a_100015196519_100000184730 [0,1,0,0,0,1|2,0,0]=4 8677 B17R2.3956 Brc1ccccc1NCCc2ccccc2 34a_100000210017_100000765856 [0,1,0,0,0,1|1,0,0]=3 8678 B17R2.3956 Brc1ccccc1NN=Cc2ccccc2 4a_100000241748_100015611070 [0,1,0,0,0,1|1,0,1]=4 8679 B17R2.3956 Brc1ccccc1NN=Cc2cccnc2 4a_100000241748_100000209961 [0,1,0,0,0,1|0,0,1]=3 8680 B17R2.3956 Brc1ccccc1NN=Cc2ccnnc2 4a_100000241748_100011934578 [0,1,0,0,0,1|1,0,1]=4 8681 B17R2.3956 Brc1ccccc1NN=Cc2cnccn2 4a_100000241748_100000749867 [0,1,0,0,0,1|1,0,1]=4 8682 B17R2.3956 Brc1ccccc1NN=Cc2cncnc2 4a_100000241748_100000749868 [0,1,0,0,0,1|1,0,1]=4 8683 B17R2.3956 Brc1ccccc1OCCc2ccccc2 34a_100000181306_100000765856 [0,1,0,0,0,1|2,0,0]=4 8684 B17R2.3956 Brc1ccccc1OCCc2ccccc2 7a_100000181306_100000765856 [0,1,0,0,0,1|2,0,0]=4 8685 B17R2.3956 Brc1ccccc1OCCc2cccnc2 7a_100000181306_200011713674 [0,1,0,0,0,1|1,0,0]=3 8686 B17R2.3956 Brc1ccccc1SCCc2ccccc2 62a_100000695589_100011218657 [0,1,0,0,0,1|2,0,0]=4 8687 B17R2.3956 Brc1ccccc1SCCc2ccccc2 62a_100000765856_100000695589 [0,1,0,0,0,1|2,0,0]=4 8688 B17R2.3956 Brc1ccccc1SCCc2cccnc2 62a_100000695589_200011713674 [0,1,0,0,0,1|1,0,0]=3 8689 B17R2.3956 Brc1ccccc1SCCc2cccnc2 62a_200011713674_100000695589 [0,1,0,0,0,1|1,0,0]=3 8690 B17R2.3956 Brc1ccccc1SCSc2ccccc2 62a_100000695589_100011218342 [0,1,0,0,0,1|2,0,0]=4 8691 B17R2.3956 Brc1ccccc1SCSc2ccccc2 62a_100011218342_100000695589 [0,1,0,0,0,1|2,0,0]=4 8692 B17R2.3956 Brc1cccnc1CNCc2ccccc2 207a_100015324214_100011934733 [0,1,0,0,0,1|2,0,0]=4 8693 B17R2.3956 Brc1cccnc1CNCc2ccccc2 2230a_100015324214_100025702911 [0,1,0,0,0,1|2,0,0]=4 8694 B17R2.3956 Brc1cccnc1CNCc2ccccc2 270004a_100015324214_100011934733 [0,1,0,0,0,1|2,0,0]=4 8695 B17R2.3956 Brc1cccnc1CNCc2ccccc2 270004a_100020591323_100015611070 [0,1,0,0,0,1|2,0,0]=4 8696 B17R2.3956 Brc1cccnc1CNCc2ccccc2 34a_100015324214_100025702911 [0,1,0,0,0,1|2,0,0]=4 8697 B17R2.3956 Brc1cccnc1CNCc2cccnc2 207a_100000210453_100011934733 [0,1,0,0,0,1|1,0,0]=3 8698 B17R2.3956 Brc1cccnc1CNCc2cccnc2 270004a_100000210453_100011934733 [0,1,0,0,0,1|1,0,0]=3 8699 B17R2.3956 Brc1cccnc1CNCc2cccnc2 270004a_100020591323_100000209961 [0,1,0,0,0,1|1,0,0]=3 8700 B17R2.3956 Brc1cccnc1CNCc2cccnn2 2230a_100159270163_100025702911 [0,1,0,0,0,1|2,0,0]=4 8701 B17R2.3956 Brc1cccnc1CNCc2ccnnc2 270004a_100020591323_100011934578 [0,1,0,0,0,1|2,0,0]=4 8702 B17R2.3956 Brc1cccnc1CNCc2cnccn2 270004a_100020591323_100000749867 [0,1,0,0,0,1|2,0,0]=4 8703 B17R2.3956 Brc1cccnc1CNCc2cncnc2 207a_100011243677_100011934733 [0,1,0,0,0,1|2,0,0]=4 8704 B17R2.3956 Brc1cccnc1CNCc2cncnc2 2230a_100011243677_100025702911 [0,1,0,0,0,1|2,0,0]=4 8705 B17R2.3956 Brc1cccnc1CNCc2cncnc2 270004a_100011243677_100011934733 [0,1,0,0,0,1|2,0,0]=4 8706 B17R2.3956 Brc1cccnc1CNCc2cncnc2 270004a_100020591323_100000749868 [0,1,0,0,0,1|2,0,0]=4 8707 B17R2.3956 Brc1cccnc1COCc2cccnc2 34a_100011996772_100000733263 [0,1,0,0,0,1|2,0,0]=4 8708 B17R2.3956 Brc1cccnc1CSCc2cccnc2 62a_100000741622_100025702911 [0,1,0,0,0,1|2,0,0]=4 8709 B17R2.3956 Brc1cccnc1CSCc2cccnc2 62a_100025702911_100000741622 [0,1,0,0,0,1|2,0,0]=4 8710 B17R2.3956 Brc1cccnc1NCCc2ccccc2 27a_100000106460_100000696092 [0,1,0,0,0,1|2,0,0]=4 8711 B17R2.3956 Brc1cccnc1NCCc2cccnc2 27a_100000736294_100000696092 [0,1,0,0,0,1|1,0,0]=3 8712 B17R2.3956 Brc1cccnc1NCCc2cnccn2 27a_100000723456_100000696092 [0,1,0,0,0,1|2,0,0]=4 8713 B17R2.3956 Brc1cccnc1NN=Cc2cccnc2 4a_100011464834_100000209961 [0,1,0,0,0,1|1,0,1]=4 8714 B17R2.3956 Brc1cccnc1SCCc2cccnc2 62a_100000696092_200011713674 [0,1,0,0,0,1|2,0,0]=4 8715 B17R2.3956 Brc1cccnc1SCCc2cccnc2 62a_200011713674_100000696092 [0,1,0,0,0,1|2,0,0]=4 8716 B17R2.3956 Brc1ccncc1C=CCc2ccccc2 271570a_200016263579_100010138639 [0,1,0,0,0,1|1,0,1]=4 8717 B17R2.3956 Brc1ccncc1C=NNc2ccccc2 4a_100015195140_100009816821 [0,1,0,0,0,1|0,0,1]=3 8718 B17R2.3956 Brc1ccncc1C=NNc2ccccn2 4a_100000183288_100009816821 [0,1,0,0,0,1|1,0,1]=4 8719 B17R2.3956 Brc1ccncc1C=NNc2cccnc2 4a_100000728903_100009816821 [0,1,0,0,0,1|1,0,1]=4 8720 B17R2.3956 Brc1ccncc1C=NNc2ccncc2 4a_100000698918_100009816821 [0,1,0,0,0,1|1,0,1]=4 8721 B17R2.3956 Brc1ccncc1CNCc2ccccc2 270004a_100015324214_100009816821 [0,1,0,0,0,1|0,0,0]=2 8722 B17R2.3956 Brc1ccncc1CNCc2ccccn2 270004a_100000210449_100009816821 [0,1,0,0,0,1|1,0,0]=3 8723 B17R2.3956 Brc1ccncc1CNCc2cccnc2 270004a_100000210453_100009816821 [0,1,0,0,0,1|1,0,0]=3 8724 B17R2.3956 Brc1ccncc1CNCc2cncnc2 270004a_100011243677_100009816821 [0,1,0,0,0,1|2,0,0]=4 8725 B17R2.3956 Brc1ccncc1SCCc2ccccc2 62a_100000765856_100010138639 [0,1,0,0,0,1|1,0,0]=3 8726 B17R2.3956 Brc1ccncc1SCCc2ccccc2 62a_100010138639_100011218657 [0,1,0,0,0,1|1,0,0]=3 8727 B17R2.3956 Brc1ccncc1SCCc2ccccn2 62a_100010138639_100015183660 [0,1,0,0,0,1|2,0,0]=4 8728 B17R2.3956 Brc1ccncc1SCCc2ccccn2 62a_100015183660_100010138639 [0,1,0,0,0,1|2,0,0]=4 8729 B17R2.3956 Brc1ccncc1SCCc2cccnc2 62a_100010138639_200011713674 [0,1,0,0,0,1|2,0,0]=4 8730 B17R2.3956 Brc1ccncc1SCCc2cccnc2 62a_200011713674_100010138639 [0,1,0,0,0,1|2,0,0]=4 8731 B17R2.3956 Brc1ccncc1SCCc2ccncc2 62a_100000723409_100010138639 [0,1,0,0,0,1|2,0,0]=4 8732 B17R2.3956 Brc1ccncc1SCCc2ccncc2 62a_100010138639_100000723409 [0,1,0,0,0,1|2,0,0]=4 8733 B17R2.3956 Brc1ccncc1SCSc2ccccc2 62a_100010138639_100011218342 [0,1,0,0,0,1|1,0,0]=3 8734 B17R2.3956 Brc1ccncc1SCSc2ccccc2 62a_100011218342_100010138639 [0,1,0,0,0,1|1,0,0]=3 8735 B17R2.3956 Brc1cnccc1CNCc2ccccc2 207a_100020640021_100015611070 [0,1,0,0,0,1|2,0,0]=4 8736 B17R2.3956 Brc1cnccc1CNCc2ccccc2 270004a_100015324214_100000755692 [0,1,0,0,0,1|2,0,0]=4 8737 B17R2.3956 Brc1cnccc1CNCc2ccccc2 270004a_100020640021_100015611070 [0,1,0,0,0,1|2,0,0]=4 8738 B17R2.3956 Brc1cnccc1CNCc2cccnc2 207a_100020640021_100000209961 [0,1,0,0,0,1|1,0,0]=3 8739 B17R2.3956 Brc1cnccc1CNCc2cccnc2 270004a_100000210453_100000755692 [0,1,0,0,0,1|1,0,0]=3 8740 B17R2.3956 Brc1cnccc1CNCc2cccnc2 270004a_100020640021_100000209961 [0,1,0,0,0,1|1,0,0]=3 8741 B17R2.3956 Brc1cnccc1CNCc2ccnnc2 270004a_100020640021_100011934578 [0,1,0,0,0,1|2,0,0]=4 8742 B17R2.3956 Brc1cnccc1CNCc2cnccn2 270004a_100020640021_100000749867 [0,1,0,0,0,1|2,0,0]=4 8743 B17R2.3956 Brc1cnccc1CNCc2cncnc2 270004a_100011243677_100000755692 [0,1,0,0,0,1|2,0,0]=4 8744 B17R2.3956 Brc1cnccc1CNCc2cncnc2 270004a_100020640021_100000749868 [0,1,0,0,0,1|2,0,0]=4 8745 B17R2.3956 Brc1cnccc1NCCc2ccccc2 27a_100000106460_100000726257 [0,1,0,0,0,1|2,0,0]=4 8746 B17R2.3956 Brc1cnccc1NCCc2cccnc2 27a_100000736294_100000726257 [0,1,0,0,0,1|1,0,0]=3 8747 B17R2.3956 Brc1cnccc1NCCc2cnccn2 27a_100000723456_100000726257 [0,1,0,0,0,1|2,0,0]=4 8748 B17R2.3956 Brc1cnccc1NN=Cc2cccnc2 4a_100013404636_100000209961 [0,1,0,0,0,1|1,0,1]=4 8749 B17R2.3956 Brc1cnccc1SCCc2cccnc2 62a_100000726257_200011713674 [0,1,0,0,0,1|2,0,0]=4 8750 B17R2.3956 Brc1cnccc1SCCc2cccnc2 62a_200011713674_100000726257 [0,1,0,0,0,1|2,0,0]=4 8751 B17R2.3956 Brc1ncccc1C=CCc2ccccc2 271570a_200016263579_100010202626 [0,1,0,0,0,1|1,0,1]=4 8752 B17R2.3956 Brc1ncccc1C=NNc2ccccc2 4a_100015195140_100009816751 [0,1,0,0,0,1|0,0,1]=3 8753 B17R2.3956 Brc1ncccc1C=NNc2ccccn2 4a_100000183288_100009816751 [0,1,0,0,0,1|1,0,1]=4 8754 B17R2.3956 Brc1ncccc1C=NNc2cccnc2 4a_100000728903_100009816751 [0,1,0,0,0,1|1,0,1]=4 8755 B17R2.3956 Brc1ncccc1C=NNc2ccncc2 4a_100000698918_100009816751 [0,1,0,0,0,1|1,0,1]=4 8756 B17R2.3956 Brc1ncccc1CNCc2ccccc2 2230a_100009818023_100015291786 [0,1,0,0,0,1|0,0,0]=2 8757 B17R2.3956 Brc1ncccc1CNCc2ccccc2 2230a_100015324214_100010140945 [0,1,0,0,0,1|0,0,0]=2 8758 B17R2.3956 Brc1ncccc1CNCc2ccccc2 270004a_100009818023_100015611070 [0,1,0,0,0,1|0,0,0]=2 8759 B17R2.3956 Brc1ncccc1CNCc2ccccc2 34a_100009818023_100015291786 [0,1,0,0,0,1|0,0,0]=2 8760 B17R2.3956 Brc1ncccc1CNCc2ccccc2 34a_100015324214_100010140945 [0,1,0,0,0,1|0,0,0]=2 8761 B17R2.3956 Brc1ncccc1CNCc2ccccn2 2230a_100009818023_100000721315 [0,1,0,0,0,1|1,0,0]=3 8762 B17R2.3956 Brc1ncccc1CNCc2ccccn2 270004a_100009818023_100000209966 [0,1,0,0,0,1|1,0,0]=3 8763 B17R2.3956 Brc1ncccc1CNCc2ccccn2 34a_100009818023_100000721315 [0,1,0,0,0,1|1,0,0]=3 8764 B17R2.3956 Brc1ncccc1CNCc2cccnc2 2230a_100009818023_100000741622 [0,1,0,0,0,1|1,0,0]=3 8765 B17R2.3956 Brc1ncccc1CNCc2cccnc2 270004a_100009818023_100000209961 [0,1,0,0,0,1|1,0,0]=3 8766 B17R2.3956 Brc1ncccc1CNCc2cccnc2 34a_100009818023_100000733263 [0,1,0,0,0,1|1,0,0]=3 8767 B17R2.3956 Brc1ncccc1CNCc2cccnn2 2230a_100009818023_100016990269 [0,1,0,0,0,1|2,0,0]=4 8768 B17R2.3956 Brc1ncccc1CNCc2cccnn2 2230a_100159270163_100010140945 [0,1,0,0,0,1|2,0,0]=4 8769 B17R2.3956 Brc1ncccc1CNCc2cccnn2 34a_100009818023_100016990269 [0,1,0,0,0,1|2,0,0]=4 8770 B17R2.3956 Brc1ncccc1CNCc2ccncc2 2230a_100009818023_100015193705 [0,1,0,0,0,1|1,0,0]=3 8771 B17R2.3956 Brc1ncccc1CNCc2ccnnc2 270004a_100009818023_100011934578 [0,1,0,0,0,1|2,0,0]=4 8772 B17R2.3956 Brc1ncccc1CNCc2cnccn2 2230a_100009818023_100016995436 [0,1,0,0,0,1|2,0,0]=4 8773 B17R2.3956 Brc1ncccc1CNCc2cnccn2 270004a_100009818023_100000749867 [0,1,0,0,0,1|2,0,0]=4 8774 B17R2.3956 Brc1ncccc1CNCc2cnccn2 34a_100009818023_100016995436 [0,1,0,0,0,1|2,0,0]=4 8775 B17R2.3956 Brc1ncccc1CNCc2cncnc2 2230a_100009818023_100015196519 [0,1,0,0,0,1|2,0,0]=4 8776 B17R2.3956 Brc1ncccc1CNCc2cncnc2 2230a_100011243677_100010140945 [0,1,0,0,0,1|2,0,0]=4 8777 B17R2.3956 Brc1ncccc1CNCc2cncnc2 270004a_100009818023_100000749868 [0,1,0,0,0,1|2,0,0]=4 8778 B17R2.3956 Brc1ncccc1CNCc2cncnc2 34a_100009818023_100015196519 [0,1,0,0,0,1|2,0,0]=4 8779 B17R2.3956 Brc1ncccc1CNCc2ncccn2 2230a_100009818023_100000703007 [0,1,0,0,0,1|2,0,0]=4 8780 B17R2.3956 Brc1ncccc1CNCc2ncccn2 270004a_100009818023_100011532527 [0,1,0,0,0,1|2,0,0]=4 8781 B17R2.3956 Brc1ncccc1CNCc2ncccn2 34a_100009818023_100000703007 [0,1,0,0,0,1|2,0,0]=4 8782 B17R2.3956 Brc1ncccc1COCc2ccccc2 34a_100000210790_100010140945 [0,1,0,0,0,1|1,0,0]=3 8783 B17R2.3956 Brc1ncccc1COCc2ccccc2 34a_100000719692_100015291786 [0,1,0,0,0,1|1,0,0]=3 8784 B17R2.3956 Brc1ncccc1COCc2ccccc2 7a_100000210790_100010140945 [0,1,0,0,0,1|1,0,0]=3 8785 B17R2.3956 Brc1ncccc1COCc2ccccc2 7a_100000719692_100000211182 [0,1,0,0,0,1|1,0,0]=3 8786 B17R2.3956 Brc1ncccc1COCc2ccccn2 34a_100000719692_100000721315 [0,1,0,0,0,1|2,0,0]=4 8787 B17R2.3956 Brc1ncccc1COCc2ccccn2 7a_100000719692_100000721315 [0,1,0,0,0,1|2,0,0]=4 8788 B17R2.3956 Brc1ncccc1COCc2cccnc2 34a_100000719692_100000733263 [0,1,0,0,0,1|2,0,0]=4 8789 B17R2.3956 Brc1ncccc1COCc2cccnc2 7a_100000719692_100000741622 [0,1,0,0,0,1|2,0,0]=4 8790 B17R2.3956 Brc1ncccc1COCc2ccncc2 7a_100000719692_100015193705 [0,1,0,0,0,1|2,0,0]=4 8791 B17R2.3956 Brc1ncccc1CSCc2ccccc2 62a_100000211182_100010140945 [0,1,0,0,0,1|1,0,0]=3 8792 B17R2.3956 Brc1ncccc1CSCc2ccccc2 62a_100010140945_100015291786 [0,1,0,0,0,1|1,0,0]=3 8793 B17R2.3956 Brc1ncccc1CSCc2ccccn2 62a_100000721315_100010140945 [0,1,0,0,0,1|2,0,0]=4 8794 B17R2.3956 Brc1ncccc1CSCc2ccccn2 62a_100010140945_100000721315 [0,1,0,0,0,1|2,0,0]=4 8795 B17R2.3956 Brc1ncccc1CSCc2cccnc2 62a_100000741622_100010140945 [0,1,0,0,0,1|2,0,0]=4 8796 B17R2.3956 Brc1ncccc1CSCc2cccnc2 62a_100010140945_100000741622 [0,1,0,0,0,1|2,0,0]=4 8797 B17R2.3956 Brc1ncccc1CSCc2ccncc2 62a_100010140945_100015193705 [0,1,0,0,0,1|2,0,0]=4 8798 B17R2.3956 Brc1ncccc1CSCc2ccncc2 62a_100015193705_100010140945 [0,1,0,0,0,1|2,0,0]=4 8799 B17R2.3956 Brc1ncccc1OCCc2ccccc2 34a_100000744436_100000765856 [0,1,0,0,0,1|1,0,0]=3 8800 B17R2.3956 Brc1ncccc1OCCc2ccccc2 7a_100000744436_100000765856 [0,1,0,0,0,1|1,0,0]=3 8801 B17R2.3956 Brc1ncccc1OCCc2ccccn2 7a_100000744436_100015183660 [0,1,0,0,0,1|2,0,0]=4 8802 B17R2.3956 Brc1ncccc1OCCc2cccnc2 7a_100000744436_200011713674 [0,1,0,0,0,1|2,0,0]=4 8803 B17R2.3956 Brc1ncccc1OCCc2ccncc2 7a_100000744436_100000723409 [0,1,0,0,0,1|2,0,0]=4 8804 B17R2.3956 Brc1ncccc1SCCc2ccccc2 62a_100000765856_100010202626 [0,1,0,0,0,1|1,0,0]=3 8805 B17R2.3956 Brc1ncccc1SCCc2ccccc2 62a_100010202626_100011218657 [0,1,0,0,0,1|1,0,0]=3 8806 B17R2.3956 Brc1ncccc1SCCc2ccccn2 62a_100010202626_100015183660 [0,1,0,0,0,1|2,0,0]=4 8807 B17R2.3956 Brc1ncccc1SCCc2ccccn2 62a_100015183660_100010202626 [0,1,0,0,0,1|2,0,0]=4 8808 B17R2.3956 Brc1ncccc1SCCc2cccnc2 62a_100010202626_200011713674 [0,1,0,0,0,1|2,0,0]=4 8809 B17R2.3956 Brc1ncccc1SCCc2cccnc2 62a_200011713674_100010202626 [0,1,0,0,0,1|2,0,0]=4 8810 B17R2.3956 Brc1ncccc1SCCc2ccncc2 62a_100000723409_100010202626 [0,1,0,0,0,1|2,0,0]=4 8811 B17R2.3956 Brc1ncccc1SCCc2ccncc2 62a_100010202626_100000723409 [0,1,0,0,0,1|2,0,0]=4 8812 B17R2.3956 Brc1ncccc1SCSc2ccccc2 62a_100010202626_100011218342 [0,1,0,0,0,1|1,0,0]=3 8813 B17R2.3956 Brc1ncccc1SCSc2ccccc2 62a_100011218342_100010202626 [0,1,0,0,0,1|1,0,0]=3 8814 B17R2.3956 Brc1ncncc1SCCc2ccccc2 62a_100000765856_200012461658 [0,1,0,0,0,1|2,0,0]=4 8815 B17R2.3956 Brc1ncncc1SCCc2ccccc2 62a_200012461658_100011218657 [0,1,0,0,0,1|2,0,0]=4 8816 B17R2.3956 Brc1ncncc1SCSc2ccccc2 62a_100011218342_200012461658 [0,1,0,0,0,1|2,0,0]=4 8817 B17R2.3956 Brc1ncncc1SCSc2ccccc2 62a_200012461658_100011218342 [0,1,0,0,0,1|2,0,0]=4 8818 B17R2.3956 C[n+]1ccccc1SCCc2cccnc2 62a_200011713674_100000212160 [0,1,0,0,0,1|2,0,0]=4 8819 B17R2.3956 Cc1ccccc1C=CCc2ccccc2 271570a_200016263579_100000210755 [0,1,0,0,0,1|2,0,0]=4 8820 B17R2.3956 Cc1ccccc1C=NNc2ccccc2 4a_100015195140_100000211143 [0,1,0,0,0,1|1,0,1]=4 8821 B17R2.3956 Cc1ccccc1C=NNc2cccnc2 4a_100000728903_100000211143 [0,1,0,0,0,1|1,0,1]=4 8822 B17R2.3956 Cc1ccccc1CCNc2ccccc2 34a_100000106764_100011713688 [0,1,0,0,0,1|1,0,0]=3 8823 B17R2.3956 Cc1ccccc1CCNc2cccnn2 27a_100000685071_100016991348 [0,1,0,0,0,1|2,0,0]=4 8824 B17R2.3956 Cc1ccccc1CCNc2cnccn2 27a_100000685071_100000211759 [0,1,0,0,0,1|2,0,0]=4 8825 B17R2.3956 Cc1ccccc1CCOc2ccccc2 34a_100000210340_100011713688 [0,1,0,0,0,1|2,0,0]=4 8826 B17R2.3956 Cc1ccccc1CCOc2ccccc2 7a_100000210340_100011713688 [0,1,0,0,0,1|2,0,0]=4 8827 B17R2.3956 Cc1ccccc1CCOc2cccnc2 34a_100000210849_100011713688 [0,1,0,0,0,1|1,0,0]=3 8828 B17R2.3956 Cc1ccccc1CCOc2cccnc2 7a_100000210849_100011713688 [0,1,0,0,0,1|1,0,0]=3 8829 B17R2.3956 Cc1ccccc1CCOc2ccnnc2 34a_100015204005_100011713688 [0,1,0,0,0,1|2,0,0]=4 8830 B17R2.3956 Cc1ccccc1CCOc2cncnc2 7a_100000754086_100011713688 [0,1,0,0,0,1|2,0,0]=4 8831 B17R2.3956 Cc1ccccc1CCSc2ccccc2 62a_100000719477_100011713688 [0,1,0,0,0,1|2,0,0]=4 8832 B17R2.3956 Cc1ccccc1CCSc2ccccc2 62a_100011713688_100000041952 [0,1,0,0,0,1|2,0,0]=4 8833 B17R2.3956 Cc1ccccc1CCSc2cccnc2 62a_100000210063_100011713688 [0,1,0,0,0,1|1,0,0]=3 8834 B17R2.3956 Cc1ccccc1CCSc2cccnc2 62a_100011713688_100000210063 [0,1,0,0,0,1|1,0,0]=3 8835 B17R2.3956 Cc1ccccc1CCSc2cccnn2 62a_100011713688_100016991348 [0,1,0,0,0,1|2,0,0]=4 8836 B17R2.3956 Cc1ccccc1CCSc2cccnn2 62a_100016991348_100011713688 [0,1,0,0,0,1|2,0,0]=4 8837 B17R2.3956 Cc1ccccc1CCSc2ccnnc2 62a_100000732662_100011713688 [0,1,0,0,0,1|2,0,0]=4 8838 B17R2.3956 Cc1ccccc1CCSc2ccnnc2 62a_100011713688_100000732662 [0,1,0,0,0,1|2,0,0]=4 8839 B17R2.3956 Cc1ccccc1CCSc2cnccn2 62a_100000211759_100011713688 [0,1,0,0,0,1|2,0,0]=4 8840 B17R2.3956 Cc1ccccc1CCSc2cnccn2 62a_100011713688_100000211759 [0,1,0,0,0,1|2,0,0]=4 8841 B17R2.3956 Cc1ccccc1CCSc2cncnc2 62a_100011206942_100011713688 [0,1,0,0,0,1|2,0,0]=4 8842 B17R2.3956 Cc1ccccc1CCSc2cncnc2 62a_100011713688_100011206942 [0,1,0,0,0,1|2,0,0]=4 8843 B17R2.3956 Cc1ccccc1CNCc2ccccc2 207a_100000174972_100015611070 [0,1,0,0,0,1|1,0,0]=3 8844 B17R2.3956 Cc1ccccc1CNCc2ccccc2 207a_100015324214_100000211143 [0,1,0,0,0,1|1,0,0]=3 8845 B17R2.3956 Cc1ccccc1CNCc2ccccc2 2230a_100015324214_100000211839 [0,1,0,0,0,1|1,0,0]=3 8846 B17R2.3956 Cc1ccccc1CNCc2ccccc2 270004a_100000174972_100015611070 [0,1,0,0,0,1|1,0,0]=3 8847 B17R2.3956 Cc1ccccc1CNCc2ccccc2 270004a_100015324214_100000211143 [0,1,0,0,0,1|1,0,0]=3 8848 B17R2.3956 Cc1ccccc1CNCc2ccccc2 34a_100000174972_100015291786 [0,1,0,0,0,1|1,0,0]=3 8849 B17R2.3956 Cc1ccccc1CNCc2ccccc2 34a_100015324214_100000211839 [0,1,0,0,0,1|1,0,0]=3 8850 B17R2.3956 Cc1ccccc1CNCc2ccccn2 207a_100000174972_100000209966 [0,1,0,0,0,1|2,0,0]=4 8851 B17R2.3956 Cc1ccccc1CNCc2ccccn2 270004a_100000174972_100000209966 [0,1,0,0,0,1|2,0,0]=4 8852 B17R2.3956 Cc1ccccc1CNCc2ccccn2 270004a_100000210449_100000211143 [0,1,0,0,0,1|2,0,0]=4 8853 B17R2.3956 Cc1ccccc1CNCc2ccccn2 34a_100000174972_100000721315 [0,1,0,0,0,1|2,0,0]=4 8854 B17R2.3956 Cc1ccccc1CNCc2cccnc2 207a_100000174972_100000209961 [0,1,0,0,0,1|0,0,0]=2 8855 B17R2.3956 Cc1ccccc1CNCc2cccnc2 207a_100000210453_100000211143 [0,1,0,0,0,1|0,0,0]=2 8856 B17R2.3956 Cc1ccccc1CNCc2cccnc2 270004a_100000174972_100000209961 [0,1,0,0,0,1|0,0,0]=2 8857 B17R2.3956 Cc1ccccc1CNCc2cccnc2 270004a_100000210453_100000211143 [0,1,0,0,0,1|0,0,0]=2 8858 B17R2.3956 Cc1ccccc1CNCc2cccnc2 34a_100000174972_100000733263 [0,1,0,0,0,1|0,0,0]=2 8859 B17R2.3956 Cc1ccccc1CNCc2cccnn2 2230a_100159270163_100000211839 [0,1,0,0,0,1|1,0,0]=3 8860 B17R2.3956 Cc1ccccc1CNCc2cccnn2 34a_100000174972_100016990269 [0,1,0,0,0,1|1,0,0]=3 8861 B17R2.3956 Cc1ccccc1CNCc2ccncc2 207a_100000174972_100000186114 [0,1,0,0,0,1|2,0,0]=4 8862 B17R2.3956 Cc1ccccc1CNCc2ccnnc2 270004a_100000174972_100011934578 [0,1,0,0,0,1|1,0,0]=3 8863 B17R2.3956 Cc1ccccc1CNCc2cnccn2 270004a_100000174972_100000749867 [0,1,0,0,0,1|1,0,0]=3 8864 B17R2.3956 Cc1ccccc1CNCc2cnccn2 34a_100000174972_100016995436 [0,1,0,0,0,1|1,0,0]=3 8865 B17R2.3956 Cc1ccccc1CNCc2cncnc2 207a_100011243677_100000211143 [0,1,0,0,0,1|1,0,0]=3 8866 B17R2.3956 Cc1ccccc1CNCc2cncnc2 2230a_100011243677_100000211839 [0,1,0,0,0,1|1,0,0]=3 8867 B17R2.3956 Cc1ccccc1CNCc2cncnc2 270004a_100000174972_100000749868 [0,1,0,0,0,1|1,0,0]=3 8868 B17R2.3956 Cc1ccccc1CNCc2cncnc2 270004a_100011243677_100000211143 [0,1,0,0,0,1|1,0,0]=3 8869 B17R2.3956 Cc1ccccc1CNCc2cncnc2 34a_100000174972_100015196519 [0,1,0,0,0,1|1,0,0]=3 8870 B17R2.3956 Cc1ccccc1COCc2ccccc2 34a_100000210790_100000211839 [0,1,0,0,0,1|2,0,0]=4 8871 B17R2.3956 Cc1ccccc1COCc2ccccc2 34a_100000698903_100015291786 [0,1,0,0,0,1|2,0,0]=4 8872 B17R2.3956 Cc1ccccc1COCc2ccccc2 7a_100000210790_100000211839 [0,1,0,0,0,1|2,0,0]=4 8873 B17R2.3956 Cc1ccccc1COCc2ccccc2 7a_100000698903_100000211182 [0,1,0,0,0,1|2,0,0]=4 8874 B17R2.3956 Cc1ccccc1COCc2cccnc2 34a_100000698903_100000733263 [0,1,0,0,0,1|1,0,0]=3 8875 B17R2.3956 Cc1ccccc1COCc2cccnc2 7a_100000698903_100000741622 [0,1,0,0,0,1|1,0,0]=3 8876 B17R2.3956 Cc1ccccc1COCc2cccnn2 34a_100000698903_100016990269 [0,1,0,0,0,1|2,0,0]=4 8877 B17R2.3956 Cc1ccccc1COCc2cccnn2 7a_100000698903_100016990269 [0,1,0,0,0,1|2,0,0]=4 8878 B17R2.3956 Cc1ccccc1COCc2cnccn2 34a_100000698903_100016995436 [0,1,0,0,0,1|2,0,0]=4 8879 B17R2.3956 Cc1ccccc1COCc2cnccn2 7a_100000698903_100016995436 [0,1,0,0,0,1|2,0,0]=4 8880 B17R2.3956 Cc1ccccc1COCc2cncnc2 34a_100000698903_100015196519 [0,1,0,0,0,1|2,0,0]=4 8881 B17R2.3956 Cc1ccccc1COCc2cncnc2 7a_100000698903_100015196519 [0,1,0,0,0,1|2,0,0]=4 8882 B17R2.3956 Cc1ccccc1CSCc2ccccc2 62a_100000211182_100000211839 [0,1,0,0,0,1|2,0,0]=4 8883 B17R2.3956 Cc1ccccc1CSCc2ccccc2 62a_100000211839_100015291786 [0,1,0,0,0,1|2,0,0]=4 8884 B17R2.3956 Cc1ccccc1CSCc2cccnc2 62a_100000211839_100000741622 [0,1,0,0,0,1|1,0,0]=3 8885 B17R2.3956 Cc1ccccc1CSCc2cccnc2 62a_100000741622_100000211839 [0,1,0,0,0,1|1,0,0]=3 8886 B17R2.3956 Cc1ccccc1CSCc2cccnn2 62a_100000211839_100016990269 [0,1,0,0,0,1|2,0,0]=4 8887 B17R2.3956 Cc1ccccc1CSCc2cccnn2 62a_100016990269_100000211839 [0,1,0,0,0,1|2,0,0]=4 8888 B17R2.3956 Cc1ccccc1CSCc2cnccn2 62a_100000211839_100016995436 [0,1,0,0,0,1|2,0,0]=4 8889 B17R2.3956 Cc1ccccc1CSCc2cnccn2 62a_100016995436_100000211839 [0,1,0,0,0,1|2,0,0]=4 8890 B17R2.3956 Cc1ccccc1CSCc2cncnc2 62a_100000211839_100015196519 [0,1,0,0,0,1|2,0,0]=4 8891 B17R2.3956 Cc1ccccc1CSCc2cncnc2 62a_100015196519_100000211839 [0,1,0,0,0,1|2,0,0]=4 8892 B17R2.3956 Cc1ccccc1NCCc2ccccc2 34a_100015192222_100000765856 [0,1,0,0,0,1|1,0,0]=3 8893 B17R2.3956 Cc1ccccc1NN=Cc2ccccc2 4a_100000184220_100015611070 [0,1,0,0,0,1|1,0,1]=4 8894 B17R2.3956 Cc1ccccc1NN=Cc2cccnc2 4a_100000184220_100000209961 [0,1,0,0,0,1|0,0,1]=3 8895 B17R2.3956 Cc1ccccc1NN=Cc2ccnnc2 4a_100000184220_100011934578 [0,1,0,0,0,1|1,0,1]=4 8896 B17R2.3956 Cc1ccccc1NN=Cc2cnccn2 4a_100000184220_100000749867 [0,1,0,0,0,1|1,0,1]=4 8897 B17R2.3956 Cc1ccccc1NN=Cc2cncnc2 4a_100000184220_100000749868 [0,1,0,0,0,1|1,0,1]=4 8898 B17R2.3956 Cc1ccccc1OCCc2ccccc2 34a_100000210338_100000765856 [0,1,0,0,0,1|2,0,0]=4 8899 B17R2.3956 Cc1ccccc1OCCc2ccccc2 7a_100000210338_100000765856 [0,1,0,0,0,1|2,0,0]=4 8900 B17R2.3956 Cc1ccccc1OCCc2cccnc2 7a_100000210338_200011713674 [0,1,0,0,0,1|1,0,0]=3 8901 B17R2.3956 Cc1ccccc1SCCc2ccccc2 62a_100000210755_100011218657 [0,1,0,0,0,1|2,0,0]=4 8902 B17R2.3956 Cc1ccccc1SCCc2ccccc2 62a_100000765856_100000210755 [0,1,0,0,0,1|2,0,0]=4 8903 B17R2.3956 Cc1ccccc1SCCc2cccnc2 62a_100000210755_200011713674 [0,1,0,0,0,1|1,0,0]=3 8904 B17R2.3956 Cc1ccccc1SCCc2cccnc2 62a_200011713674_100000210755 [0,1,0,0,0,1|1,0,0]=3 8905 B17R2.3956 Cc1ccccc1SCSc2ccccc2 62a_100000210755_100011218342 [0,1,0,0,0,1|2,0,0]=4 8906 B17R2.3956 Cc1ccccc1SCSc2ccccc2 62a_100011218342_100000210755 [0,1,0,0,0,1|2,0,0]=4 8907 B17R2.3956 Cc1cccnc1CNCc2ccccc2 207a_100015324214_100000698913 [0,1,0,0,0,1|2,0,0]=4 8908 B17R2.3956 Cc1cccnc1CNCc2ccccc2 2230a_100015324214_100000696600 [0,1,0,0,0,1|2,0,0]=4 8909 B17R2.3956 Cc1cccnc1CNCc2ccccc2 270004a_100015324214_100000698913 [0,1,0,0,0,1|2,0,0]=4 8910 B17R2.3956 Cc1cccnc1CNCc2ccccc2 34a_100011223789_100015291786 [0,1,0,0,0,1|2,0,0]=4 8911 B17R2.3956 Cc1cccnc1CNCc2ccccc2 34a_100015324214_100000696600 [0,1,0,0,0,1|2,0,0]=4 8912 B17R2.3956 Cc1cccnc1CNCc2cccnc2 207a_100000210453_100000698913 [0,1,0,0,0,1|1,0,0]=3 8913 B17R2.3956 Cc1cccnc1CNCc2cccnc2 270004a_100000210453_100000698913 [0,1,0,0,0,1|1,0,0]=3 8914 B17R2.3956 Cc1cccnc1CNCc2cccnc2 34a_100011223789_100000733263 [0,1,0,0,0,1|1,0,0]=3 8915 B17R2.3956 Cc1cccnc1CNCc2cccnn2 2230a_100159270163_100000696600 [0,1,0,0,0,1|2,0,0]=4 8916 B17R2.3956 Cc1cccnc1CNCc2cccnn2 34a_100011223789_100016990269 [0,1,0,0,0,1|2,0,0]=4 8917 B17R2.3956 Cc1cccnc1CNCc2cnccn2 34a_100011223789_100016995436 [0,1,0,0,0,1|2,0,0]=4 8918 B17R2.3956 Cc1cccnc1CNCc2cncnc2 207a_100011243677_100000698913 [0,1,0,0,0,1|2,0,0]=4 8919 B17R2.3956 Cc1cccnc1CNCc2cncnc2 2230a_100011243677_100000696600 [0,1,0,0,0,1|2,0,0]=4 8920 B17R2.3956 Cc1cccnc1CNCc2cncnc2 270004a_100011243677_100000698913 [0,1,0,0,0,1|2,0,0]=4 8921 B17R2.3956 Cc1cccnc1CNCc2cncnc2 34a_100011223789_100015196519 [0,1,0,0,0,1|2,0,0]=4 8922 B17R2.3956 Cc1cccnc1COCc2cccnc2 34a_100000698912_100000733263 [0,1,0,0,0,1|2,0,0]=4 8923 B17R2.3956 Cc1cccnc1CSCc2cccnc2 62a_100000696600_100000741622 [0,1,0,0,0,1|2,0,0]=4 8924 B17R2.3956 Cc1cccnc1CSCc2cccnc2 62a_100000741622_100000696600 [0,1,0,0,0,1|2,0,0]=4 8925 B17R2.3956 Cc1cccnc1NN=Cc2cccnc2 4a_100000708268_100000209961 [0,1,0,0,0,1|1,0,1]=4 8926 B17R2.3956 Cc1cccnc1SCCc2cccnc2 62a_100000751373_200011713674 [0,1,0,0,0,1|2,0,0]=4 8927 B17R2.3956 Cc1cccnc1SCCc2cccnc2 62a_200011713674_100000751373 [0,1,0,0,0,1|2,0,0]=4 8928 B17R2.3956 Cc1ccncc1C=CCc2ccccc2 271570a_200016263579_100000761580 [0,1,0,0,0,1|1,0,1]=4 8929 B17R2.3956 Cc1ccncc1C=NNc2ccccc2 4a_100015195140_100000685662 [0,1,0,0,0,1|0,0,1]=3 8930 B17R2.3956 Cc1ccncc1C=NNc2ccccn2 4a_100000183288_100000685662 [0,1,0,0,0,1|1,0,1]=4 8931 B17R2.3956 Cc1ccncc1C=NNc2cccnc2 4a_100000728903_100000685662 [0,1,0,0,0,1|1,0,1]=4 8932 B17R2.3956 Cc1ccncc1C=NNc2ccncc2 4a_100000698918_100000685662 [0,1,0,0,0,1|1,0,1]=4 8933 B17R2.3956 Cc1ccncc1CNCc2ccccc2 207a_100011997553_100015611070 [0,1,0,0,0,1|0,0,0]=2 8934 B17R2.3956 Cc1ccncc1CNCc2ccccc2 207a_100015324214_100000685662 [0,1,0,0,0,1|0,0,0]=2 8935 B17R2.3956 Cc1ccncc1CNCc2ccccc2 2230a_100015324214_100000690890 [0,1,0,0,0,1|0,0,0]=2 8936 B17R2.3956 Cc1ccncc1CNCc2ccccc2 270004a_100011997553_100015611070 [0,1,0,0,0,1|0,0,0]=2 8937 B17R2.3956 Cc1ccncc1CNCc2ccccc2 270004a_100015324214_100000685662 [0,1,0,0,0,1|0,0,0]=2 8938 B17R2.3956 Cc1ccncc1CNCc2ccccc2 34a_100015324214_100000690890 [0,1,0,0,0,1|0,0,0]=2 8939 B17R2.3956 Cc1ccncc1CNCc2ccccn2 207a_100011997553_100000209966 [0,1,0,0,0,1|1,0,0]=3 8940 B17R2.3956 Cc1ccncc1CNCc2ccccn2 270004a_100000210449_100000685662 [0,1,0,0,0,1|1,0,0]=3 8941 B17R2.3956 Cc1ccncc1CNCc2ccccn2 270004a_100011997553_100000209966 [0,1,0,0,0,1|1,0,0]=3 8942 B17R2.3956 Cc1ccncc1CNCc2cccnc2 207a_100000210453_100000685662 [0,1,0,0,0,1|1,0,0]=3 8943 B17R2.3956 Cc1ccncc1CNCc2cccnc2 207a_100011997553_100000209961 [0,1,0,0,0,1|1,0,0]=3 8944 B17R2.3956 Cc1ccncc1CNCc2cccnc2 270004a_100000210453_100000685662 [0,1,0,0,0,1|1,0,0]=3 8945 B17R2.3956 Cc1ccncc1CNCc2cccnc2 270004a_100011997553_100000209961 [0,1,0,0,0,1|1,0,0]=3 8946 B17R2.3956 Cc1ccncc1CNCc2cccnn2 2230a_100159270163_100000690890 [0,1,0,0,0,1|2,0,0]=4 8947 B17R2.3956 Cc1ccncc1CNCc2ccncc2 207a_100011997553_100000186114 [0,1,0,0,0,1|1,0,0]=3 8948 B17R2.3956 Cc1ccncc1CNCc2ccnnc2 270004a_100011997553_100011934578 [0,1,0,0,0,1|2,0,0]=4 8949 B17R2.3956 Cc1ccncc1CNCc2cnccn2 270004a_100011997553_100000749867 [0,1,0,0,0,1|2,0,0]=4 8950 B17R2.3956 Cc1ccncc1CNCc2cncnc2 207a_100011243677_100000685662 [0,1,0,0,0,1|2,0,0]=4 8951 B17R2.3956 Cc1ccncc1CNCc2cncnc2 2230a_100011243677_100000690890 [0,1,0,0,0,1|2,0,0]=4 8952 B17R2.3956 Cc1ccncc1CNCc2cncnc2 270004a_100011243677_100000685662 [0,1,0,0,0,1|2,0,0]=4 8953 B17R2.3956 Cc1ccncc1CNCc2cncnc2 270004a_100011997553_100000749868 [0,1,0,0,0,1|2,0,0]=4 8954 B17R2.3956 Cc1ccncc1CNCc2ncccn2 270004a_100011997553_100011532527 [0,1,0,0,0,1|2,0,0]=4 8955 B17R2.3956 Cc1ccncc1COCc2ccccc2 34a_100000210790_100000690890 [0,1,0,0,0,1|1,0,0]=3 8956 B17R2.3956 Cc1ccncc1COCc2ccccc2 34a_100011996381_100015291786 [0,1,0,0,0,1|1,0,0]=3 8957 B17R2.3956 Cc1ccncc1COCc2ccccc2 7a_100000210790_100000690890 [0,1,0,0,0,1|1,0,0]=3 8958 B17R2.3956 Cc1ccncc1COCc2ccccn2 34a_100011996381_100000721315 [0,1,0,0,0,1|2,0,0]=4 8959 B17R2.3956 Cc1ccncc1COCc2cccnc2 34a_100011996381_100000733263 [0,1,0,0,0,1|2,0,0]=4 8960 B17R2.3956 Cc1ccncc1CSCc2ccccc2 62a_100000211182_100000690890 [0,1,0,0,0,1|1,0,0]=3 8961 B17R2.3956 Cc1ccncc1CSCc2ccccc2 62a_100000690890_100015291786 [0,1,0,0,0,1|1,0,0]=3 8962 B17R2.3956 Cc1ccncc1CSCc2ccccn2 62a_100000690890_100000721315 [0,1,0,0,0,1|2,0,0]=4 8963 B17R2.3956 Cc1ccncc1CSCc2ccccn2 62a_100000721315_100000690890 [0,1,0,0,0,1|2,0,0]=4 8964 B17R2.3956 Cc1ccncc1CSCc2cccnc2 62a_100000690890_100000741622 [0,1,0,0,0,1|2,0,0]=4 8965 B17R2.3956 Cc1ccncc1CSCc2cccnc2 62a_100000741622_100000690890 [0,1,0,0,0,1|2,0,0]=4 8966 B17R2.3956 Cc1ccncc1CSCc2ccncc2 62a_100000690890_100015193705 [0,1,0,0,0,1|2,0,0]=4 8967 B17R2.3956 Cc1ccncc1CSCc2ccncc2 62a_100015193705_100000690890 [0,1,0,0,0,1|2,0,0]=4 8968 B17R2.3956 Cc1ccncc1OCCc2ccccc2 34a_100011997053_100000765856 [0,1,0,0,0,1|1,0,0]=3 8969 B17R2.3956 Cc1ccncc1OCCc2ccccc2 7a_100011997053_100000765856 [0,1,0,0,0,1|1,0,0]=3 8970 B17R2.3956 Cc1ccncc1OCCc2ccccn2 7a_100011997053_100015183660 [0,1,0,0,0,1|2,0,0]=4 8971 B17R2.3956 Cc1ccncc1OCCc2cccnc2 7a_100011997053_200011713674 [0,1,0,0,0,1|2,0,0]=4 8972 B17R2.3956 Cc1ccncc1OCCc2ccncc2 7a_100011997053_100000723409 [0,1,0,0,0,1|2,0,0]=4 8973 B17R2.3956 Cc1ccncc1SCCc2ccccc2 62a_100000761580_100011218657 [0,1,0,0,0,1|1,0,0]=3 8974 B17R2.3956 Cc1ccncc1SCCc2ccccc2 62a_100000765856_100000761580 [0,1,0,0,0,1|1,0,0]=3 8975 B17R2.3956 Cc1ccncc1SCCc2ccccn2 62a_100000761580_100015183660 [0,1,0,0,0,1|2,0,0]=4 8976 B17R2.3956 Cc1ccncc1SCCc2ccccn2 62a_100015183660_100000761580 [0,1,0,0,0,1|2,0,0]=4 8977 B17R2.3956 Cc1ccncc1SCCc2cccnc2 62a_100000761580_200011713674 [0,1,0,0,0,1|2,0,0]=4 8978 B17R2.3956 Cc1ccncc1SCCc2cccnc2 62a_200011713674_100000761580 [0,1,0,0,0,1|2,0,0]=4 8979 B17R2.3956 Cc1ccncc1SCCc2ccncc2 62a_100000723409_100000761580 [0,1,0,0,0,1|2,0,0]=4 8980 B17R2.3956 Cc1ccncc1SCCc2ccncc2 62a_100000761580_100000723409 [0,1,0,0,0,1|2,0,0]=4 8981 B17R2.3956 Cc1ccncc1SCSc2ccccc2 62a_100000761580_100011218342 [0,1,0,0,0,1|1,0,0]=3 8982 B17R2.3956 Cc1ccncc1SCSc2ccccc2 62a_100011218342_100000761580 [0,1,0,0,0,1|1,0,0]=3 8983 B17R2.3956 Cc1ccnnc1NCCc2ccccc2 27a_100000106460_100000089043 [0,1,0,0,0,1|2,0,0]=4 8984 B17R2.3956 Cc1ccnnc1NCCc2cccnc2 27a_100000736294_100000089043 [0,1,0,0,0,1|2,0,0]=4 8985 B17R2.3956 Cc1ccnnc1SCCc2ccccc2 62a_100000765856_100000089043 [0,1,0,0,0,1|2,0,0]=4 8986 B17R2.3956 Cc1ccnnc1SCSc2ccccc2 62a_100011218342_100000089043 [0,1,0,0,0,1|2,0,0]=4 8987 B17R2.3956 Cc1cnccc1CNCc2ccccc2 207a_100000708811_100015611070 [0,1,0,0,0,1|2,0,0]=4 8988 B17R2.3956 Cc1cnccc1CNCc2ccccc2 2230a_100015324214_100020672808 [0,1,0,0,0,1|2,0,0]=4 8989 B17R2.3956 Cc1cnccc1CNCc2ccccc2 270004a_100000708811_100015611070 [0,1,0,0,0,1|2,0,0]=4 8990 B17R2.3956 Cc1cnccc1CNCc2ccccc2 34a_100015324214_100020672809 [0,1,0,0,0,1|2,0,0]=4 8991 B17R2.3956 Cc1cnccc1CNCc2cccnc2 207a_100000708811_100000209961 [0,1,0,0,0,1|1,0,0]=3 8992 B17R2.3956 Cc1cnccc1CNCc2cccnc2 270004a_100000708811_100000209961 [0,1,0,0,0,1|1,0,0]=3 8993 B17R2.3956 Cc1cnccc1CNCc2cccnn2 2230a_100159270163_100020672808 [0,1,0,0,0,1|2,0,0]=4 8994 B17R2.3956 Cc1cnccc1CNCc2ccnnc2 270004a_100000708811_100011934578 [0,1,0,0,0,1|2,0,0]=4 8995 B17R2.3956 Cc1cnccc1CNCc2cnccn2 270004a_100000708811_100000749867 [0,1,0,0,0,1|2,0,0]=4 8996 B17R2.3956 Cc1cnccc1CNCc2cncnc2 2230a_100011243677_100020672808 [0,1,0,0,0,1|2,0,0]=4 8997 B17R2.3956 Cc1cnccc1CNCc2cncnc2 270004a_100000708811_100000749868 [0,1,0,0,0,1|2,0,0]=4 8998 B17R2.3956 Cc1cnccc1COCc2cccnc2 34a_100011997032_100000733263 [0,1,0,0,0,1|2,0,0]=4 8999 B17R2.3956 Cc1cnccc1CSCc2cccnc2 62a_100000741622_100020672808 [0,1,0,0,0,1|2,0,0]=4 9000 B17R2.3956 Cc1cnccc1CSCc2cccnc2 62a_100020672808_100000741622 [0,1,0,0,0,1|2,0,0]=4 9001 B17R2.3956 Cc1cnccc1NCCc2ccccc2 27a_100000106460_100000765111 [0,1,0,0,0,1|2,0,0]=4 9002 B17R2.3956 Cc1cnccc1NCCc2cccnc2 27a_100000736294_100000765111 [0,1,0,0,0,1|1,0,0]=3 9003 B17R2.3956 Cc1cnccc1NCCc2cnccn2 27a_100000723456_100000765111 [0,1,0,0,0,1|2,0,0]=4 9004 B17R2.3956 Cc1cnccc1NN=Cc2cccnc2 4a_100011935204_100000209961 [0,1,0,0,0,1|1,0,1]=4 9005 B17R2.3956 Cc1cnccc1SCCc2cccnc2 62a_100000765111_200011713674 [0,1,0,0,0,1|2,0,0]=4 9006 B17R2.3956 Cc1cnccc1SCCc2cccnc2 62a_200011713674_100000765111 [0,1,0,0,0,1|2,0,0]=4 9007 B17R2.3956 Cc1cncnc1NCCc2cccnc2 27a_100000736294_100011998708 [0,1,0,0,0,1|2,0,0]=4 9008 B17R2.3956 Cc1ncccc1C=CCc2ccccc2 271570a_200016263579_100000751574 [0,1,0,0,0,1|1,0,1]=4 9009 B17R2.3956 Cc1ncccc1C=NNc2ccccc2 4a_100015195140_100000751968 [0,1,0,0,0,1|0,0,1]=3 9010 B17R2.3956 Cc1ncccc1C=NNc2ccccn2 4a_100000183288_100000751968 [0,1,0,0,0,1|1,0,1]=4 9011 B17R2.3956 Cc1ncccc1C=NNc2cccnc2 4a_100000728903_100000751968 [0,1,0,0,0,1|1,0,1]=4 9012 B17R2.3956 Cc1ncccc1C=NNc2ccncc2 4a_100000698918_100000751968 [0,1,0,0,0,1|1,0,1]=4 9013 B17R2.3956 Cc1ncccc1CNCc2ccccc2 207a_100015324214_100000751968 [0,1,0,0,0,1|0,0,0]=2 9014 B17R2.3956 Cc1ncccc1CNCc2ccccc2 2230a_100015324214_100000732876 [0,1,0,0,0,1|0,0,0]=2 9015 B17R2.3956 Cc1ncccc1CNCc2ccccc2 270004a_100015324214_100000751968 [0,1,0,0,0,1|0,0,0]=2 9016 B17R2.3956 Cc1ncccc1CNCc2ccccc2 34a_100015324214_100000732876 [0,1,0,0,0,1|0,0,0]=2 9017 B17R2.3956 Cc1ncccc1CNCc2ccccn2 270004a_100000210449_100000751968 [0,1,0,0,0,1|1,0,0]=3 9018 B17R2.3956 Cc1ncccc1CNCc2cccnc2 207a_100000210453_100000751968 [0,1,0,0,0,1|1,0,0]=3 9019 B17R2.3956 Cc1ncccc1CNCc2cccnc2 270004a_100000210453_100000751968 [0,1,0,0,0,1|1,0,0]=3 9020 B17R2.3956 Cc1ncccc1CNCc2cccnn2 2230a_100159270163_100000732876 [0,1,0,0,0,1|2,0,0]=4 9021 B17R2.3956 Cc1ncccc1CNCc2cncnc2 207a_100011243677_100000751968 [0,1,0,0,0,1|2,0,0]=4 9022 B17R2.3956 Cc1ncccc1CNCc2cncnc2 2230a_100011243677_100000732876 [0,1,0,0,0,1|2,0,0]=4 9023 B17R2.3956 Cc1ncccc1CNCc2cncnc2 270004a_100011243677_100000751968 [0,1,0,0,0,1|2,0,0]=4 9024 B17R2.3956 Cc1ncccc1COCc2ccccc2 34a_100000210790_100000732876 [0,1,0,0,0,1|1,0,0]=3 9025 B17R2.3956 Cc1ncccc1COCc2ccccc2 34a_100000729262_100015291786 [0,1,0,0,0,1|1,0,0]=3 9026 B17R2.3956 Cc1ncccc1COCc2ccccc2 7a_100000210790_100000732876 [0,1,0,0,0,1|1,0,0]=3 9027 B17R2.3956 Cc1ncccc1COCc2ccccc2 7a_100000729262_100000211182 [0,1,0,0,0,1|1,0,0]=3 9028 B17R2.3956 Cc1ncccc1COCc2ccccn2 34a_100000729262_100000721315 [0,1,0,0,0,1|2,0,0]=4 9029 B17R2.3956 Cc1ncccc1COCc2ccccn2 7a_100000729262_100000721315 [0,1,0,0,0,1|2,0,0]=4 9030 B17R2.3956 Cc1ncccc1COCc2cccnc2 34a_100000729262_100000733263 [0,1,0,0,0,1|2,0,0]=4 9031 B17R2.3956 Cc1ncccc1COCc2cccnc2 7a_100000729262_100000741622 [0,1,0,0,0,1|2,0,0]=4 9032 B17R2.3956 Cc1ncccc1COCc2ccncc2 7a_100000729262_100015193705 [0,1,0,0,0,1|2,0,0]=4 9033 B17R2.3956 Cc1ncccc1CSCc2ccccc2 62a_100000211182_100000732876 [0,1,0,0,0,1|1,0,0]=3 9034 B17R2.3956 Cc1ncccc1CSCc2ccccc2 62a_100000732876_100015291786 [0,1,0,0,0,1|1,0,0]=3 9035 B17R2.3956 Cc1ncccc1CSCc2ccccn2 62a_100000721315_100000732876 [0,1,0,0,0,1|2,0,0]=4 9036 B17R2.3956 Cc1ncccc1CSCc2ccccn2 62a_100000732876_100000721315 [0,1,0,0,0,1|2,0,0]=4 9037 B17R2.3956 Cc1ncccc1CSCc2cccnc2 62a_100000732876_100000741622 [0,1,0,0,0,1|2,0,0]=4 9038 B17R2.3956 Cc1ncccc1CSCc2cccnc2 62a_100000741622_100000732876 [0,1,0,0,0,1|2,0,0]=4 9039 B17R2.3956 Cc1ncccc1CSCc2ccncc2 62a_100000732876_100015193705 [0,1,0,0,0,1|2,0,0]=4 9040 B17R2.3956 Cc1ncccc1CSCc2ccncc2 62a_100015193705_100000732876 [0,1,0,0,0,1|2,0,0]=4 9041 B17R2.3956 Cc1ncccc1NN=Cc2ccccc2 4a_100000730703_100015611070 [0,1,0,0,0,1|1,0,1]=4 9042 B17R2.3956 Cc1ncccc1NN=Cc2cccnc2 4a_100000730703_100000209961 [0,1,0,0,0,1|1,0,1]=4 9043 B17R2.3956 Cc1ncccc1OCCc2ccccc2 34a_100000745507_100000765856 [0,1,0,0,0,1|1,0,0]=3 9044 B17R2.3956 Cc1ncccc1OCCc2ccccc2 7a_100000745507_100000765856 [0,1,0,0,0,1|1,0,0]=3 9045 B17R2.3956 Cc1ncccc1OCCc2ccccn2 7a_100000745507_100015183660 [0,1,0,0,0,1|2,0,0]=4 9046 B17R2.3956 Cc1ncccc1OCCc2cccnc2 7a_100000745507_200011713674 [0,1,0,0,0,1|2,0,0]=4 9047 B17R2.3956 Cc1ncccc1OCCc2ccncc2 7a_100000745507_100000723409 [0,1,0,0,0,1|2,0,0]=4 9048 B17R2.3956 Cc1ncccc1SCCc2ccccc2 62a_100000751574_100011218657 [0,1,0,0,0,1|1,0,0]=3 9049 B17R2.3956 Cc1ncccc1SCCc2ccccc2 62a_100000765856_100000751574 [0,1,0,0,0,1|1,0,0]=3 9050 B17R2.3956 Cc1ncccc1SCCc2ccccn2 62a_100000751574_100015183660 [0,1,0,0,0,1|2,0,0]=4 9051 B17R2.3956 Cc1ncccc1SCCc2ccccn2 62a_100015183660_100000751574 [0,1,0,0,0,1|2,0,0]=4 9052 B17R2.3956 Cc1ncccc1SCCc2cccnc2 62a_100000751574_200011713674 [0,1,0,0,0,1|2,0,0]=4 9053 B17R2.3956 Cc1ncccc1SCCc2cccnc2 62a_200011713674_100000751574 [0,1,0,0,0,1|2,0,0]=4 9054 B17R2.3956 Cc1ncccc1SCCc2ccncc2 62a_100000723409_100000751574 [0,1,0,0,0,1|2,0,0]=4 9055 B17R2.3956 Cc1ncccc1SCCc2ccncc2 62a_100000751574_100000723409 [0,1,0,0,0,1|2,0,0]=4 9056 B17R2.3956 Cc1ncccc1SCSc2ccccc2 62a_100000751574_100011218342 [0,1,0,0,0,1|1,0,0]=3 9057 B17R2.3956 Cc1ncccc1SCSc2ccccc2 62a_100011218342_100000751574 [0,1,0,0,0,1|1,0,0]=3 9058 B17R2.3956 Cc1nccnc1C=NNc2ccccc2 4a_100015195140_100000050726 [0,1,0,0,0,1|1,0,1]=4 9059 B17R2.3956 Cc1nccnc1CNCc2ccccc2 2230a_100020641712_100015291786 [0,1,0,0,0,1|1,0,0]=3 9060 B17R2.3956 Cc1nccnc1CNCc2ccccc2 270004a_100015324214_100000050726 [0,1,0,0,0,1|1,0,0]=3 9061 B17R2.3956 Cc1nccnc1CNCc2ccccc2 270004a_100020641712_100015611070 [0,1,0,0,0,1|1,0,0]=3 9062 B17R2.3956 Cc1nccnc1CNCc2ccccc2 34a_100020641712_100015291786 [0,1,0,0,0,1|1,0,0]=3 9063 B17R2.3956 Cc1nccnc1CNCc2ccccn2 2230a_100020641712_100000721315 [0,1,0,0,0,1|2,0,0]=4 9064 B17R2.3956 Cc1nccnc1CNCc2ccccn2 270004a_100000210449_100000050726 [0,1,0,0,0,1|2,0,0]=4 9065 B17R2.3956 Cc1nccnc1CNCc2ccccn2 270004a_100020641712_100000209966 [0,1,0,0,0,1|2,0,0]=4 9066 B17R2.3956 Cc1nccnc1CNCc2ccccn2 34a_100020641712_100000721315 [0,1,0,0,0,1|2,0,0]=4 9067 B17R2.3956 Cc1nccnc1CNCc2cccnc2 2230a_100020641712_100000741622 [0,1,0,0,0,1|2,0,0]=4 9068 B17R2.3956 Cc1nccnc1CNCc2cccnc2 270004a_100000210453_100000050726 [0,1,0,0,0,1|2,0,0]=4 9069 B17R2.3956 Cc1nccnc1CNCc2cccnc2 270004a_100020641712_100000209961 [0,1,0,0,0,1|2,0,0]=4 9070 B17R2.3956 Cc1nccnc1CNCc2cccnc2 34a_100020641712_100000733263 [0,1,0,0,0,1|2,0,0]=4 9071 B17R2.3956 Cc1nccnc1CNCc2ccncc2 2230a_100020641712_100015193705 [0,1,0,0,0,1|2,0,0]=4 9072 B17R2.3956 Cc1nccnc1NCCc2ccccc2 27a_100000106460_100011999405 [0,1,0,0,0,1|2,0,0]=4 9073 B17R2.3956 Cc1nccnc1NCCc2cccnc2 27a_100000736294_100011999405 [0,1,0,0,0,1|2,0,0]=4 9074 B17R2.3956 Cc1nccnc1OCCc2ccccc2 34a_100000766352_100000765856 [0,1,0,0,0,1|2,0,0]=4 9075 B17R2.3956 Cc1nccnc1SCCc2ccccc2 62a_100000765856_100011999405 [0,1,0,0,0,1|2,0,0]=4 9076 B17R2.3956 Cc1nccnc1SCCc2ccccc2 62a_100011999405_100011218657 [0,1,0,0,0,1|2,0,0]=4 9077 B17R2.3956 Cc1nccnc1SCSc2ccccc2 62a_100011218342_100011999405 [0,1,0,0,0,1|2,0,0]=4 9078 B17R2.3956 Cc1nccnc1SCSc2ccccc2 62a_100011999405_100011218342 [0,1,0,0,0,1|2,0,0]=4 9079 B17R2.3956 Cc1ncncc1SCCc2ccccc2 62a_100000765856_100009819671 [0,1,0,0,0,1|2,0,0]=4 9080 B17R2.3956 Cc1ncncc1SCCc2ccccc2 62a_100009819671_100011218657 [0,1,0,0,0,1|2,0,0]=4 9081 B17R2.3956 Cc1ncncc1SCSc2ccccc2 62a_100009819671_100011218342 [0,1,0,0,0,1|2,0,0]=4 9082 B17R2.3956 Cc1ncncc1SCSc2ccccc2 62a_100011218342_100009819671 [0,1,0,0,0,1|2,0,0]=4 9083 B17R2.3956 Clc1ccccc1C=CCc2ccccc2 271570a_200016263579_100000764095 [0,1,0,0,0,1|2,0,0]=4 9084 B17R2.3956 Clc1ccccc1C=NNc2ccccc2 4a_100015195140_100000210073 [0,1,0,0,0,1|1,0,1]=4 9085 B17R2.3956 Clc1ccccc1C=NNc2cccnc2 4a_100000728903_100000210073 [0,1,0,0,0,1|1,0,1]=4 9086 B17R2.3956 Clc1ccccc1CCNc2ccccc2 34a_100000106764_100011713703 [0,1,0,0,0,1|1,0,0]=3 9087 B17R2.3956 Clc1ccccc1CCNc2cccnn2 27a_100011207228_100016991348 [0,1,0,0,0,1|2,0,0]=4 9088 B17R2.3956 Clc1ccccc1CCNc2cnccn2 27a_100011207228_100000211759 [0,1,0,0,0,1|2,0,0]=4 9089 B17R2.3956 Clc1ccccc1CCOc2ccccc2 34a_100000210340_100011713703 [0,1,0,0,0,1|2,0,0]=4 9090 B17R2.3956 Clc1ccccc1CCOc2ccccc2 7a_100000210340_100011713703 [0,1,0,0,0,1|2,0,0]=4 9091 B17R2.3956 Clc1ccccc1CCOc2cccnc2 34a_100000210849_100011713703 [0,1,0,0,0,1|1,0,0]=3 9092 B17R2.3956 Clc1ccccc1CCOc2cccnc2 7a_100000210849_100011713703 [0,1,0,0,0,1|1,0,0]=3 9093 B17R2.3956 Clc1ccccc1CCOc2ccnnc2 34a_100015204005_100011713703 [0,1,0,0,0,1|2,0,0]=4 9094 B17R2.3956 Clc1ccccc1CCOc2cncnc2 7a_100000754086_100011713703 [0,1,0,0,0,1|2,0,0]=4 9095 B17R2.3956 Clc1ccccc1CCSc2ccccc2 62a_100000719477_100011713703 [0,1,0,0,0,1|2,0,0]=4 9096 B17R2.3956 Clc1ccccc1CCSc2ccccc2 62a_100011713703_100000041952 [0,1,0,0,0,1|2,0,0]=4 9097 B17R2.3956 Clc1ccccc1CCSc2cccnc2 62a_100000210063_100011713703 [0,1,0,0,0,1|1,0,0]=3 9098 B17R2.3956 Clc1ccccc1CCSc2cccnc2 62a_100011713703_100000210063 [0,1,0,0,0,1|1,0,0]=3 9099 B17R2.3956 Clc1ccccc1CCSc2cccnn2 62a_100011713703_100016991348 [0,1,0,0,0,1|2,0,0]=4 9100 B17R2.3956 Clc1ccccc1CCSc2cccnn2 62a_100016991348_100011713703 [0,1,0,0,0,1|2,0,0]=4 9101 B17R2.3956 Clc1ccccc1CCSc2ccnnc2 62a_100000732662_100011713703 [0,1,0,0,0,1|2,0,0]=4 9102 B17R2.3956 Clc1ccccc1CCSc2ccnnc2 62a_100011713703_100000732662 [0,1,0,0,0,1|2,0,0]=4 9103 B17R2.3956 Clc1ccccc1CCSc2cnccn2 62a_100000211759_100011713703 [0,1,0,0,0,1|2,0,0]=4 9104 B17R2.3956 Clc1ccccc1CCSc2cnccn2 62a_100011713703_100000211759 [0,1,0,0,0,1|2,0,0]=4 9105 B17R2.3956 Clc1ccccc1CCSc2cncnc2 62a_100011206942_100011713703 [0,1,0,0,0,1|2,0,0]=4 9106 B17R2.3956 Clc1ccccc1CCSc2cncnc2 62a_100011713703_100011206942 [0,1,0,0,0,1|2,0,0]=4 9107 B17R2.3956 Clc1ccccc1CNCc2ccccc2 207a_100000174879_100015611070 [0,1,0,0,0,1|1,0,0]=3 9108 B17R2.3956 Clc1ccccc1CNCc2ccccc2 207a_100015324214_100000210073 [0,1,0,0,0,1|1,0,0]=3 9109 B17R2.3956 Clc1ccccc1CNCc2ccccc2 2230a_100000174879_100015291786 [0,1,0,0,0,1|1,0,0]=3 9110 B17R2.3956 Clc1ccccc1CNCc2ccccc2 2230a_100015324214_100000187162 [0,1,0,0,0,1|1,0,0]=3 9111 B17R2.3956 Clc1ccccc1CNCc2ccccc2 270004a_100000174879_100015611070 [0,1,0,0,0,1|1,0,0]=3 9112 B17R2.3956 Clc1ccccc1CNCc2ccccc2 270004a_100015324214_100000210073 [0,1,0,0,0,1|1,0,0]=3 9113 B17R2.3956 Clc1ccccc1CNCc2ccccc2 34a_100000174879_100015291786 [0,1,0,0,0,1|1,0,0]=3 9114 B17R2.3956 Clc1ccccc1CNCc2ccccc2 34a_100015324214_100000187162 [0,1,0,0,0,1|1,0,0]=3 9115 B17R2.3956 Clc1ccccc1CNCc2ccccn2 207a_100000174879_100000209966 [0,1,0,0,0,1|2,0,0]=4 9116 B17R2.3956 Clc1ccccc1CNCc2ccccn2 2230a_100000174879_100000721315 [0,1,0,0,0,1|2,0,0]=4 9117 B17R2.3956 Clc1ccccc1CNCc2ccccn2 270004a_100000174879_100000209966 [0,1,0,0,0,1|2,0,0]=4 9118 B17R2.3956 Clc1ccccc1CNCc2ccccn2 270004a_100000210449_100000210073 [0,1,0,0,0,1|2,0,0]=4 9119 B17R2.3956 Clc1ccccc1CNCc2ccccn2 34a_100000174879_100000721315 [0,1,0,0,0,1|2,0,0]=4 9120 B17R2.3956 Clc1ccccc1CNCc2cccnc2 207a_100000174879_100000209961 [0,1,0,0,0,1|0,0,0]=2 9121 B17R2.3956 Clc1ccccc1CNCc2cccnc2 207a_100000210453_100000210073 [0,1,0,0,0,1|0,0,0]=2 9122 B17R2.3956 Clc1ccccc1CNCc2cccnc2 2230a_100000174879_100000741622 [0,1,0,0,0,1|0,0,0]=2 9123 B17R2.3956 Clc1ccccc1CNCc2cccnc2 270004a_100000174879_100000209961 [0,1,0,0,0,1|0,0,0]=2 9124 B17R2.3956 Clc1ccccc1CNCc2cccnc2 270004a_100000210453_100000210073 [0,1,0,0,0,1|0,0,0]=2 9125 B17R2.3956 Clc1ccccc1CNCc2cccnc2 34a_100000174879_100000733263 [0,1,0,0,0,1|0,0,0]=2 9126 B17R2.3956 Clc1ccccc1CNCc2cccnn2 2230a_100000174879_100016990269 [0,1,0,0,0,1|1,0,0]=3 9127 B17R2.3956 Clc1ccccc1CNCc2cccnn2 2230a_100159270163_100000187162 [0,1,0,0,0,1|1,0,0]=3 9128 B17R2.3956 Clc1ccccc1CNCc2cccnn2 34a_100000174879_100016990269 [0,1,0,0,0,1|1,0,0]=3 9129 B17R2.3956 Clc1ccccc1CNCc2ccncc2 207a_100000174879_100000186114 [0,1,0,0,0,1|2,0,0]=4 9130 B17R2.3956 Clc1ccccc1CNCc2ccncc2 2230a_100000174879_100015193705 [0,1,0,0,0,1|2,0,0]=4 9131 B17R2.3956 Clc1ccccc1CNCc2ccnnc2 270004a_100000174879_100011934578 [0,1,0,0,0,1|1,0,0]=3 9132 B17R2.3956 Clc1ccccc1CNCc2cnccn2 2230a_100000174879_100016995436 [0,1,0,0,0,1|1,0,0]=3 9133 B17R2.3956 Clc1ccccc1CNCc2cnccn2 270004a_100000174879_100000749867 [0,1,0,0,0,1|1,0,0]=3 9134 B17R2.3956 Clc1ccccc1CNCc2cnccn2 34a_100000174879_100016995436 [0,1,0,0,0,1|1,0,0]=3 9135 B17R2.3956 Clc1ccccc1CNCc2cncnc2 207a_100011243677_100000210073 [0,1,0,0,0,1|1,0,0]=3 9136 B17R2.3956 Clc1ccccc1CNCc2cncnc2 2230a_100000174879_100015196519 [0,1,0,0,0,1|1,0,0]=3 9137 B17R2.3956 Clc1ccccc1CNCc2cncnc2 2230a_100011243677_100000187162 [0,1,0,0,0,1|1,0,0]=3 9138 B17R2.3956 Clc1ccccc1CNCc2cncnc2 270004a_100000174879_100000749868 [0,1,0,0,0,1|1,0,0]=3 9139 B17R2.3956 Clc1ccccc1CNCc2cncnc2 270004a_100011243677_100000210073 [0,1,0,0,0,1|1,0,0]=3 9140 B17R2.3956 Clc1ccccc1CNCc2cncnc2 34a_100000174879_100015196519 [0,1,0,0,0,1|1,0,0]=3 9141 B17R2.3956 Clc1ccccc1COCc2ccccc2 34a_100000210790_100000187162 [0,1,0,0,0,1|2,0,0]=4 9142 B17R2.3956 Clc1ccccc1COCc2ccccc2 34a_100000210847_100015291786 [0,1,0,0,0,1|2,0,0]=4 9143 B17R2.3956 Clc1ccccc1COCc2ccccc2 7a_100000210790_100000187162 [0,1,0,0,0,1|2,0,0]=4 9144 B17R2.3956 Clc1ccccc1COCc2ccccc2 7a_100000210847_100000211182 [0,1,0,0,0,1|2,0,0]=4 9145 B17R2.3956 Clc1ccccc1COCc2cccnc2 34a_100000210847_100000733263 [0,1,0,0,0,1|1,0,0]=3 9146 B17R2.3956 Clc1ccccc1COCc2cccnc2 7a_100000210847_100000741622 [0,1,0,0,0,1|1,0,0]=3 9147 B17R2.3956 Clc1ccccc1COCc2cccnn2 34a_100000210847_100016990269 [0,1,0,0,0,1|2,0,0]=4 9148 B17R2.3956 Clc1ccccc1COCc2cccnn2 7a_100000210847_100016990269 [0,1,0,0,0,1|2,0,0]=4 9149 B17R2.3956 Clc1ccccc1COCc2cnccn2 34a_100000210847_100016995436 [0,1,0,0,0,1|2,0,0]=4 9150 B17R2.3956 Clc1ccccc1COCc2cnccn2 7a_100000210847_100016995436 [0,1,0,0,0,1|2,0,0]=4 9151 B17R2.3956 Clc1ccccc1COCc2cncnc2 34a_100000210847_100015196519 [0,1,0,0,0,1|2,0,0]=4 9152 B17R2.3956 Clc1ccccc1COCc2cncnc2 7a_100000210847_100015196519 [0,1,0,0,0,1|2,0,0]=4 9153 B17R2.3956 Clc1ccccc1CSCc2ccccc2 62a_100000187162_100015291786 [0,1,0,0,0,1|2,0,0]=4 9154 B17R2.3956 Clc1ccccc1CSCc2ccccc2 62a_100000211182_100000187162 [0,1,0,0,0,1|2,0,0]=4 9155 B17R2.3956 Clc1ccccc1CSCc2cccnc2 62a_100000187162_100000741622 [0,1,0,0,0,1|1,0,0]=3 9156 B17R2.3956 Clc1ccccc1CSCc2cccnc2 62a_100000741622_100000187162 [0,1,0,0,0,1|1,0,0]=3 9157 B17R2.3956 Clc1ccccc1CSCc2cccnn2 62a_100000187162_100016990269 [0,1,0,0,0,1|2,0,0]=4 9158 B17R2.3956 Clc1ccccc1CSCc2cccnn2 62a_100016990269_100000187162 [0,1,0,0,0,1|2,0,0]=4 9159 B17R2.3956 Clc1ccccc1CSCc2cnccn2 62a_100000187162_100016995436 [0,1,0,0,0,1|2,0,0]=4 9160 B17R2.3956 Clc1ccccc1CSCc2cnccn2 62a_100016995436_100000187162 [0,1,0,0,0,1|2,0,0]=4 9161 B17R2.3956 Clc1ccccc1CSCc2cncnc2 62a_100000187162_100015196519 [0,1,0,0,0,1|2,0,0]=4 9162 B17R2.3956 Clc1ccccc1CSCc2cncnc2 62a_100015196519_100000187162 [0,1,0,0,0,1|2,0,0]=4 9163 B17R2.3956 Clc1ccccc1NCCc2ccccc2 34a_100000185783_100000765856 [0,1,0,0,0,1|1,0,0]=3 9164 B17R2.3956 Clc1ccccc1NN=Cc2ccccc2 4a_100000683529_100015611070 [0,1,0,0,0,1|1,0,1]=4 9165 B17R2.3956 Clc1ccccc1NN=Cc2cccnc2 4a_100000683529_100000209961 [0,1,0,0,0,1|0,0,1]=3 9166 B17R2.3956 Clc1ccccc1NN=Cc2ccnnc2 4a_100000683529_100011934578 [0,1,0,0,0,1|1,0,1]=4 9167 B17R2.3956 Clc1ccccc1NN=Cc2cnccn2 4a_100000683529_100000749867 [0,1,0,0,0,1|1,0,1]=4 9168 B17R2.3956 Clc1ccccc1NN=Cc2cncnc2 4a_100000683529_100000749868 [0,1,0,0,0,1|1,0,1]=4 9169 B17R2.3956 Clc1ccccc1OCCc2ccccc2 34a_100000210172_100000765856 [0,1,0,0,0,1|2,0,0]=4 9170 B17R2.3956 Clc1ccccc1OCCc2ccccc2 7a_100000210172_100000765856 [0,1,0,0,0,1|2,0,0]=4 9171 B17R2.3956 Clc1ccccc1OCCc2cccnc2 7a_100000210172_200011713674 [0,1,0,0,0,1|1,0,0]=3 9172 B17R2.3956 Clc1ccccc1SCCc2ccccc2 62a_100000764095_100011218657 [0,1,0,0,0,1|2,0,0]=4 9173 B17R2.3956 Clc1ccccc1SCCc2ccccc2 62a_100000765856_100000764095 [0,1,0,0,0,1|2,0,0]=4 9174 B17R2.3956 Clc1ccccc1SCCc2cccnc2 62a_100000764095_200011713674 [0,1,0,0,0,1|1,0,0]=3 9175 B17R2.3956 Clc1ccccc1SCCc2cccnc2 62a_200011713674_100000764095 [0,1,0,0,0,1|1,0,0]=3 9176 B17R2.3956 Clc1ccccc1SCSc2ccccc2 62a_100000764095_100011218342 [0,1,0,0,0,1|2,0,0]=4 9177 B17R2.3956 Clc1ccccc1SCSc2ccccc2 62a_100011218342_100000764095 [0,1,0,0,0,1|2,0,0]=4 9178 B17R2.3956 Clc1cccnc1CNCc2ccccc2 207a_100015324214_100012001307 [0,1,0,0,0,1|2,0,0]=4 9179 B17R2.3956 Clc1cccnc1CNCc2ccccc2 2230a_100015189233_100015291786 [0,1,0,0,0,1|2,0,0]=4 9180 B17R2.3956 Clc1cccnc1CNCc2ccccc2 2230a_100015324214_100000099807 [0,1,0,0,0,1|2,0,0]=4 9181 B17R2.3956 Clc1cccnc1CNCc2ccccc2 270004a_100015189233_100015611070 [0,1,0,0,0,1|2,0,0]=4 9182 B17R2.3956 Clc1cccnc1CNCc2ccccc2 270004a_100015324214_100012001307 [0,1,0,0,0,1|2,0,0]=4 9183 B17R2.3956 Clc1cccnc1CNCc2cccnc2 207a_100000210453_100012001307 [0,1,0,0,0,1|1,0,0]=3 9184 B17R2.3956 Clc1cccnc1CNCc2cccnc2 2230a_100015189233_100000741622 [0,1,0,0,0,1|1,0,0]=3 9185 B17R2.3956 Clc1cccnc1CNCc2cccnc2 270004a_100000210453_100012001307 [0,1,0,0,0,1|1,0,0]=3 9186 B17R2.3956 Clc1cccnc1CNCc2cccnc2 270004a_100015189233_100000209961 [0,1,0,0,0,1|1,0,0]=3 9187 B17R2.3956 Clc1cccnc1CNCc2cccnn2 2230a_100015189233_100016990269 [0,1,0,0,0,1|2,0,0]=4 9188 B17R2.3956 Clc1cccnc1CNCc2cccnn2 2230a_100159270163_100000099807 [0,1,0,0,0,1|2,0,0]=4 9189 B17R2.3956 Clc1cccnc1CNCc2ccnnc2 270004a_100015189233_100011934578 [0,1,0,0,0,1|2,0,0]=4 9190 B17R2.3956 Clc1cccnc1CNCc2cnccn2 2230a_100015189233_100016995436 [0,1,0,0,0,1|2,0,0]=4 9191 B17R2.3956 Clc1cccnc1CNCc2cnccn2 270004a_100015189233_100000749867 [0,1,0,0,0,1|2,0,0]=4 9192 B17R2.3956 Clc1cccnc1CNCc2cncnc2 207a_100011243677_100012001307 [0,1,0,0,0,1|2,0,0]=4 9193 B17R2.3956 Clc1cccnc1CNCc2cncnc2 2230a_100011243677_100000099807 [0,1,0,0,0,1|2,0,0]=4 9194 B17R2.3956 Clc1cccnc1CNCc2cncnc2 2230a_100015189233_100015196519 [0,1,0,0,0,1|2,0,0]=4 9195 B17R2.3956 Clc1cccnc1CNCc2cncnc2 270004a_100011243677_100012001307 [0,1,0,0,0,1|2,0,0]=4 9196 B17R2.3956 Clc1cccnc1CNCc2cncnc2 270004a_100015189233_100000749868 [0,1,0,0,0,1|2,0,0]=4 9197 B17R2.3956 Clc1cccnc1COCc2cccnc2 34a_100012002383_100000733263 [0,1,0,0,0,1|2,0,0]=4 9198 B17R2.3956 Clc1cccnc1CSCc2cccnc2 62a_100000099807_100000741622 [0,1,0,0,0,1|2,0,0]=4 9199 B17R2.3956 Clc1cccnc1CSCc2cccnc2 62a_100000741622_100000099807 [0,1,0,0,0,1|2,0,0]=4 9200 B17R2.3956 Clc1cccnc1NN=Cc2cccnc2 4a_100000741667_100000209961 [0,1,0,0,0,1|1,0,1]=4 9201 B17R2.3956 Clc1cccnc1SCCc2cccnc2 62a_100011356963_200011713674 [0,1,0,0,0,1|2,0,0]=4 9202 B17R2.3956 Clc1cccnc1SCCc2cccnc2 62a_200011713674_100011356963 [0,1,0,0,0,1|2,0,0]=4 9203 B17R2.3956 Clc1ccncc1C=CCc2ccccc2 271570a_200016263579_100009995489 [0,1,0,0,0,1|1,0,1]=4 9204 B17R2.3956 Clc1ccncc1C=NNc2ccccc2 4a_100015195140_100000050567 [0,1,0,0,0,1|0,0,1]=3 9205 B17R2.3956 Clc1ccncc1C=NNc2ccccn2 4a_100000183288_100000050567 [0,1,0,0,0,1|1,0,1]=4 9206 B17R2.3956 Clc1ccncc1C=NNc2cccnc2 4a_100000728903_100000050567 [0,1,0,0,0,1|1,0,1]=4 9207 B17R2.3956 Clc1ccncc1C=NNc2ccncc2 4a_100000698918_100000050567 [0,1,0,0,0,1|1,0,1]=4 9208 B17R2.3956 Clc1ccncc1CNCc2ccccc2 270004a_100015324214_100000050567 [0,1,0,0,0,1|0,0,0]=2 9209 B17R2.3956 Clc1ccncc1CNCc2ccccn2 270004a_100000210449_100000050567 [0,1,0,0,0,1|1,0,0]=3 9210 B17R2.3956 Clc1ccncc1CNCc2cccnc2 270004a_100000210453_100000050567 [0,1,0,0,0,1|1,0,0]=3 9211 B17R2.3956 Clc1ccncc1CNCc2cncnc2 270004a_100011243677_100000050567 [0,1,0,0,0,1|2,0,0]=4 9212 B17R2.3956 Clc1ccncc1COCc2ccccc2 34a_100000117392_100015291786 [0,1,0,0,0,1|1,0,0]=3 9213 B17R2.3956 Clc1ccncc1COCc2ccccn2 34a_100000117392_100000721315 [0,1,0,0,0,1|2,0,0]=4 9214 B17R2.3956 Clc1ccncc1COCc2cccnc2 34a_100000117392_100000733263 [0,1,0,0,0,1|2,0,0]=4 9215 B17R2.3956 Clc1ccncc1OCCc2ccccc2 34a_100011996695_100000765856 [0,1,0,0,0,1|1,0,0]=3 9216 B17R2.3956 Clc1ccncc1SCCc2ccccc2 62a_100000765856_100009995489 [0,1,0,0,0,1|1,0,0]=3 9217 B17R2.3956 Clc1ccncc1SCCc2ccccc2 62a_100009995489_100011218657 [0,1,0,0,0,1|1,0,0]=3 9218 B17R2.3956 Clc1ccncc1SCCc2ccccn2 62a_100009995489_100015183660 [0,1,0,0,0,1|2,0,0]=4 9219 B17R2.3956 Clc1ccncc1SCCc2ccccn2 62a_100015183660_100009995489 [0,1,0,0,0,1|2,0,0]=4 9220 B17R2.3956 Clc1ccncc1SCCc2cccnc2 62a_100009995489_200011713674 [0,1,0,0,0,1|2,0,0]=4 9221 B17R2.3956 Clc1ccncc1SCCc2cccnc2 62a_200011713674_100009995489 [0,1,0,0,0,1|2,0,0]=4 9222 B17R2.3956 Clc1ccncc1SCCc2ccncc2 62a_100000723409_100009995489 [0,1,0,0,0,1|2,0,0]=4 9223 B17R2.3956 Clc1ccncc1SCCc2ccncc2 62a_100009995489_100000723409 [0,1,0,0,0,1|2,0,0]=4 9224 B17R2.3956 Clc1ccncc1SCSc2ccccc2 62a_100009995489_100011218342 [0,1,0,0,0,1|1,0,0]=3 9225 B17R2.3956 Clc1ccncc1SCSc2ccccc2 62a_100011218342_100009995489 [0,1,0,0,0,1|1,0,0]=3 9226 B17R2.3956 Clc1cnccc1CNCc2ccccc2 207a_100015324214_100011934409 [0,1,0,0,0,1|2,0,0]=4 9227 B17R2.3956 Clc1cnccc1CNCc2ccccc2 2230a_100015324214_100000763264 [0,1,0,0,0,1|2,0,0]=4 9228 B17R2.3956 Clc1cnccc1CNCc2ccccc2 270004a_100015324214_100011934409 [0,1,0,0,0,1|2,0,0]=4 9229 B17R2.3956 Clc1cnccc1CNCc2cccnc2 207a_100000210453_100011934409 [0,1,0,0,0,1|1,0,0]=3 9230 B17R2.3956 Clc1cnccc1CNCc2cccnc2 270004a_100000210453_100011934409 [0,1,0,0,0,1|1,0,0]=3 9231 B17R2.3956 Clc1cnccc1CNCc2cccnn2 2230a_100159270163_100000763264 [0,1,0,0,0,1|2,0,0]=4 9232 B17R2.3956 Clc1cnccc1CNCc2cncnc2 207a_100011243677_100011934409 [0,1,0,0,0,1|2,0,0]=4 9233 B17R2.3956 Clc1cnccc1CNCc2cncnc2 2230a_100011243677_100000763264 [0,1,0,0,0,1|2,0,0]=4 9234 B17R2.3956 Clc1cnccc1CNCc2cncnc2 270004a_100011243677_100011934409 [0,1,0,0,0,1|2,0,0]=4 9235 B17R2.3956 Clc1cnccc1CSCc2cccnc2 62a_100000741622_100000763264 [0,1,0,0,0,1|2,0,0]=4 9236 B17R2.3956 Clc1cnccc1CSCc2cccnc2 62a_100000763264_100000741622 [0,1,0,0,0,1|2,0,0]=4 9237 B17R2.3956 Clc1cnccc1SCCc2cccnc2 62a_100000708259_200011713674 [0,1,0,0,0,1|2,0,0]=4 9238 B17R2.3956 Clc1cnccc1SCCc2cccnc2 62a_200011713674_100000708259 [0,1,0,0,0,1|2,0,0]=4 9239 B17R2.3956 Clc1ncccc1C=CCc2ccccc2 271570a_200016263579_100000036424 [0,1,0,0,0,1|1,0,1]=4 9240 B17R2.3956 Clc1ncccc1C=NNc2ccccc2 4a_100015195140_100000749341 [0,1,0,0,0,1|0,0,1]=3 9241 B17R2.3956 Clc1ncccc1C=NNc2ccccn2 4a_100000183288_100000749341 [0,1,0,0,0,1|1,0,1]=4 9242 B17R2.3956 Clc1ncccc1C=NNc2cccnc2 4a_100000728903_100000749341 [0,1,0,0,0,1|1,0,1]=4 9243 B17R2.3956 Clc1ncccc1C=NNc2ccncc2 4a_100000698918_100000749341 [0,1,0,0,0,1|1,0,1]=4 9244 B17R2.3956 Clc1ncccc1CNCc2ccccc2 207a_100015189234_100015611070 [0,1,0,0,0,1|0,0,0]=2 9245 B17R2.3956 Clc1ncccc1CNCc2ccccc2 2230a_100015189234_100015291786 [0,1,0,0,0,1|0,0,0]=2 9246 B17R2.3956 Clc1ncccc1CNCc2ccccc2 2230a_100015324214_100000045678 [0,1,0,0,0,1|0,0,0]=2 9247 B17R2.3956 Clc1ncccc1CNCc2ccccc2 34a_100015189234_100015291786 [0,1,0,0,0,1|0,0,0]=2 9248 B17R2.3956 Clc1ncccc1CNCc2ccccc2 34a_100015324214_100000045678 [0,1,0,0,0,1|0,0,0]=2 9249 B17R2.3956 Clc1ncccc1CNCc2ccccn2 207a_100015189234_100000209966 [0,1,0,0,0,1|1,0,0]=3 9250 B17R2.3956 Clc1ncccc1CNCc2ccccn2 2230a_100015189234_100000721315 [0,1,0,0,0,1|1,0,0]=3 9251 B17R2.3956 Clc1ncccc1CNCc2ccccn2 34a_100015189234_100000721315 [0,1,0,0,0,1|1,0,0]=3 9252 B17R2.3956 Clc1ncccc1CNCc2cccnc2 207a_100015189234_100000209961 [0,1,0,0,0,1|1,0,0]=3 9253 B17R2.3956 Clc1ncccc1CNCc2cccnc2 2230a_100015189234_100000741622 [0,1,0,0,0,1|1,0,0]=3 9254 B17R2.3956 Clc1ncccc1CNCc2cccnc2 34a_100015189234_100000733263 [0,1,0,0,0,1|1,0,0]=3 9255 B17R2.3956 Clc1ncccc1CNCc2cccnn2 2230a_100015189234_100016990269 [0,1,0,0,0,1|2,0,0]=4 9256 B17R2.3956 Clc1ncccc1CNCc2cccnn2 2230a_100159270163_100000045678 [0,1,0,0,0,1|2,0,0]=4 9257 B17R2.3956 Clc1ncccc1CNCc2cccnn2 34a_100015189234_100016990269 [0,1,0,0,0,1|2,0,0]=4 9258 B17R2.3956 Clc1ncccc1CNCc2ccncc2 207a_100015189234_100000186114 [0,1,0,0,0,1|1,0,0]=3 9259 B17R2.3956 Clc1ncccc1CNCc2ccncc2 2230a_100015189234_100015193705 [0,1,0,0,0,1|1,0,0]=3 9260 B17R2.3956 Clc1ncccc1CNCc2cnccn2 2230a_100015189234_100016995436 [0,1,0,0,0,1|2,0,0]=4 9261 B17R2.3956 Clc1ncccc1CNCc2cnccn2 34a_100015189234_100016995436 [0,1,0,0,0,1|2,0,0]=4 9262 B17R2.3956 Clc1ncccc1CNCc2cncnc2 2230a_100011243677_100000045678 [0,1,0,0,0,1|2,0,0]=4 9263 B17R2.3956 Clc1ncccc1CNCc2cncnc2 2230a_100015189234_100015196519 [0,1,0,0,0,1|2,0,0]=4 9264 B17R2.3956 Clc1ncccc1CNCc2cncnc2 34a_100015189234_100015196519 [0,1,0,0,0,1|2,0,0]=4 9265 B17R2.3956 Clc1ncccc1CNCc2ncccn2 2230a_100015189234_100000703007 [0,1,0,0,0,1|2,0,0]=4 9266 B17R2.3956 Clc1ncccc1CNCc2ncccn2 34a_100015189234_100000703007 [0,1,0,0,0,1|2,0,0]=4 9267 B17R2.3956 Clc1ncccc1COCc2ccccc2 34a_100000210790_100000045678 [0,1,0,0,0,1|1,0,0]=3 9268 B17R2.3956 Clc1ncccc1COCc2ccccc2 34a_100000748726_100015291786 [0,1,0,0,0,1|1,0,0]=3 9269 B17R2.3956 Clc1ncccc1COCc2ccccc2 7a_100000210790_100000045678 [0,1,0,0,0,1|1,0,0]=3 9270 B17R2.3956 Clc1ncccc1COCc2ccccc2 7a_100000748726_100000211182 [0,1,0,0,0,1|1,0,0]=3 9271 B17R2.3956 Clc1ncccc1COCc2ccccn2 34a_100000748726_100000721315 [0,1,0,0,0,1|2,0,0]=4 9272 B17R2.3956 Clc1ncccc1COCc2ccccn2 7a_100000748726_100000721315 [0,1,0,0,0,1|2,0,0]=4 9273 B17R2.3956 Clc1ncccc1COCc2cccnc2 34a_100000748726_100000733263 [0,1,0,0,0,1|2,0,0]=4 9274 B17R2.3956 Clc1ncccc1COCc2cccnc2 7a_100000748726_100000741622 [0,1,0,0,0,1|2,0,0]=4 9275 B17R2.3956 Clc1ncccc1COCc2ccncc2 7a_100000748726_100015193705 [0,1,0,0,0,1|2,0,0]=4 9276 B17R2.3956 Clc1ncccc1CSCc2ccccc2 62a_100000045678_100015291786 [0,1,0,0,0,1|1,0,0]=3 9277 B17R2.3956 Clc1ncccc1CSCc2ccccc2 62a_100000211182_100000045678 [0,1,0,0,0,1|1,0,0]=3 9278 B17R2.3956 Clc1ncccc1CSCc2ccccn2 62a_100000045678_100000721315 [0,1,0,0,0,1|2,0,0]=4 9279 B17R2.3956 Clc1ncccc1CSCc2ccccn2 62a_100000721315_100000045678 [0,1,0,0,0,1|2,0,0]=4 9280 B17R2.3956 Clc1ncccc1CSCc2cccnc2 62a_100000045678_100000741622 [0,1,0,0,0,1|2,0,0]=4 9281 B17R2.3956 Clc1ncccc1CSCc2cccnc2 62a_100000741622_100000045678 [0,1,0,0,0,1|2,0,0]=4 9282 B17R2.3956 Clc1ncccc1CSCc2ccncc2 62a_100000045678_100015193705 [0,1,0,0,0,1|2,0,0]=4 9283 B17R2.3956 Clc1ncccc1CSCc2ccncc2 62a_100015193705_100000045678 [0,1,0,0,0,1|2,0,0]=4 9284 B17R2.3956 Clc1ncccc1OCCc2ccccc2 34a_100000757616_100000765856 [0,1,0,0,0,1|1,0,0]=3 9285 B17R2.3956 Clc1ncccc1OCCc2ccccc2 7a_100000757616_100000765856 [0,1,0,0,0,1|1,0,0]=3 9286 B17R2.3956 Clc1ncccc1OCCc2ccccn2 7a_100000757616_100015183660 [0,1,0,0,0,1|2,0,0]=4 9287 B17R2.3956 Clc1ncccc1OCCc2cccnc2 7a_100000757616_200011713674 [0,1,0,0,0,1|2,0,0]=4 9288 B17R2.3956 Clc1ncccc1OCCc2ccncc2 7a_100000757616_100000723409 [0,1,0,0,0,1|2,0,0]=4 9289 B17R2.3956 Clc1ncccc1SCCc2ccccc2 62a_100000036424_100011218657 [0,1,0,0,0,1|1,0,0]=3 9290 B17R2.3956 Clc1ncccc1SCCc2ccccc2 62a_100000765856_100000036424 [0,1,0,0,0,1|1,0,0]=3 9291 B17R2.3956 Clc1ncccc1SCCc2ccccn2 62a_100000036424_100015183660 [0,1,0,0,0,1|2,0,0]=4 9292 B17R2.3956 Clc1ncccc1SCCc2ccccn2 62a_100015183660_100000036424 [0,1,0,0,0,1|2,0,0]=4 9293 B17R2.3956 Clc1ncccc1SCCc2cccnc2 62a_100000036424_200011713674 [0,1,0,0,0,1|2,0,0]=4 9294 B17R2.3956 Clc1ncccc1SCCc2cccnc2 62a_200011713674_100000036424 [0,1,0,0,0,1|2,0,0]=4 9295 B17R2.3956 Clc1ncccc1SCCc2ccncc2 62a_100000036424_100000723409 [0,1,0,0,0,1|2,0,0]=4 9296 B17R2.3956 Clc1ncccc1SCCc2ccncc2 62a_100000723409_100000036424 [0,1,0,0,0,1|2,0,0]=4 9297 B17R2.3956 Clc1ncccc1SCSc2ccccc2 62a_100000036424_100011218342 [0,1,0,0,0,1|1,0,0]=3 9298 B17R2.3956 Clc1ncccc1SCSc2ccccc2 62a_100011218342_100000036424 [0,1,0,0,0,1|1,0,0]=3 9299 B17R2.3956 Clc1nccnc1C=NNc2ccccc2 4a_100015195140_100000051000 [0,1,0,0,0,1|1,0,1]=4 9300 B17R2.3956 Clc1nccnc1CNCc2ccccc2 2230a_100000729963_100015291786 [0,1,0,0,0,1|1,0,0]=3 9301 B17R2.3956 Clc1nccnc1CNCc2ccccn2 2230a_100000729963_100000721315 [0,1,0,0,0,1|2,0,0]=4 9302 B17R2.3956 Clc1nccnc1CNCc2cccnc2 2230a_100000729963_100000741622 [0,1,0,0,0,1|2,0,0]=4 9303 B17R2.3956 Clc1nccnc1CNCc2ccncc2 2230a_100000729963_100015193705 [0,1,0,0,0,1|2,0,0]=4 9304 B17R2.3956 Clc1nccnc1COCc2ccccc2 34a_100000057004_100015291786 [0,1,0,0,0,1|2,0,0]=4 9305 B17R2.3956 Clc1nccnc1SCCc2ccccc2 62a_100000765856_100010886584 [0,1,0,0,0,1|2,0,0]=4 9306 B17R2.3956 Clc1nccnc1SCCc2ccccc2 62a_100010886584_100011218657 [0,1,0,0,0,1|2,0,0]=4 9307 B17R2.3956 Clc1nccnc1SCSc2ccccc2 62a_100010886584_100011218342 [0,1,0,0,0,1|2,0,0]=4 9308 B17R2.3956 Clc1nccnc1SCSc2ccccc2 62a_100011218342_100010886584 [0,1,0,0,0,1|2,0,0]=4 9309 B17R2.3956 Clc1ncncc1SCCc2ccccc2 62a_100000758962_100011218657 [0,1,0,0,0,1|2,0,0]=4 9310 B17R2.3956 Clc1ncncc1SCCc2ccccc2 62a_100000765856_100000758962 [0,1,0,0,0,1|2,0,0]=4 9311 B17R2.3956 Clc1ncncc1SCSc2ccccc2 62a_100000758962_100011218342 [0,1,0,0,0,1|2,0,0]=4 9312 B17R2.3956 Clc1ncncc1SCSc2ccccc2 62a_100011218342_100000758962 [0,1,0,0,0,1|2,0,0]=4 9313 B17R2.3956 Fc1ccccc1C=CCc2ccccc2 271570a_200016263579_100011215700 [0,1,0,0,0,1|2,0,0]=4 9314 B17R2.3956 Fc1ccccc1C=NNc2ccccc2 4a_100015195140_100000210811 [0,1,0,0,0,1|1,0,1]=4 9315 B17R2.3956 Fc1ccccc1C=NNc2cccnc2 4a_100000728903_100000210811 [0,1,0,0,0,1|1,0,1]=4 9316 B17R2.3956 Fc1ccccc1CCNc2ccccc2 34a_100000106764_100000720011 [0,1,0,0,0,1|1,0,0]=3 9317 B17R2.3956 Fc1ccccc1CCNc2cccnn2 27a_100000185272_100016991348 [0,1,0,0,0,1|2,0,0]=4 9318 B17R2.3956 Fc1ccccc1CCNc2cnccn2 27a_100000185272_100000211759 [0,1,0,0,0,1|2,0,0]=4 9319 B17R2.3956 Fc1ccccc1CCOc2ccccc2 34a_100000210340_100000720011 [0,1,0,0,0,1|2,0,0]=4 9320 B17R2.3956 Fc1ccccc1CCOc2ccccc2 7a_100000210340_100000720011 [0,1,0,0,0,1|2,0,0]=4 9321 B17R2.3956 Fc1ccccc1CCOc2cccnc2 34a_100000210849_100000720011 [0,1,0,0,0,1|1,0,0]=3 9322 B17R2.3956 Fc1ccccc1CCOc2cccnc2 7a_100000210849_100000720011 [0,1,0,0,0,1|1,0,0]=3 9323 B17R2.3956 Fc1ccccc1CCOc2ccnnc2 34a_100015204005_100000720011 [0,1,0,0,0,1|2,0,0]=4 9324 B17R2.3956 Fc1ccccc1CCOc2cncnc2 7a_100000754086_100000720011 [0,1,0,0,0,1|2,0,0]=4 9325 B17R2.3956 Fc1ccccc1CCSc2ccccc2 62a_100000719477_100011713696 [0,1,0,0,0,1|2,0,0]=4 9326 B17R2.3956 Fc1ccccc1CCSc2ccccc2 62a_100011713696_100000041952 [0,1,0,0,0,1|2,0,0]=4 9327 B17R2.3956 Fc1ccccc1CCSc2cccnc2 62a_100000210063_100011713696 [0,1,0,0,0,1|1,0,0]=3 9328 B17R2.3956 Fc1ccccc1CCSc2cccnc2 62a_100011713696_100000210063 [0,1,0,0,0,1|1,0,0]=3 9329 B17R2.3956 Fc1ccccc1CCSc2cccnn2 62a_100011713696_100016991348 [0,1,0,0,0,1|2,0,0]=4 9330 B17R2.3956 Fc1ccccc1CCSc2cccnn2 62a_100016991348_100011713696 [0,1,0,0,0,1|2,0,0]=4 9331 B17R2.3956 Fc1ccccc1CCSc2ccnnc2 62a_100000732662_100011713696 [0,1,0,0,0,1|2,0,0]=4 9332 B17R2.3956 Fc1ccccc1CCSc2ccnnc2 62a_100011713696_100000732662 [0,1,0,0,0,1|2,0,0]=4 9333 B17R2.3956 Fc1ccccc1CCSc2cnccn2 62a_100000211759_100011713696 [0,1,0,0,0,1|2,0,0]=4 9334 B17R2.3956 Fc1ccccc1CCSc2cnccn2 62a_100011713696_100000211759 [0,1,0,0,0,1|2,0,0]=4 9335 B17R2.3956 Fc1ccccc1CCSc2cncnc2 62a_100011206942_100011713696 [0,1,0,0,0,1|2,0,0]=4 9336 B17R2.3956 Fc1ccccc1CCSc2cncnc2 62a_100011713696_100011206942 [0,1,0,0,0,1|2,0,0]=4 9337 B17R2.3956 Fc1ccccc1CNCc2ccccc2 207a_100000174869_100015611070 [0,1,0,0,0,1|1,0,0]=3 9338 B17R2.3956 Fc1ccccc1CNCc2ccccc2 207a_100015324214_100000210811 [0,1,0,0,0,1|1,0,0]=3 9339 B17R2.3956 Fc1ccccc1CNCc2ccccc2 2230a_100015324214_100000211605 [0,1,0,0,0,1|1,0,0]=3 9340 B17R2.3956 Fc1ccccc1CNCc2ccccc2 270004a_100000174869_100015611070 [0,1,0,0,0,1|1,0,0]=3 9341 B17R2.3956 Fc1ccccc1CNCc2ccccc2 270004a_100015324214_100000210811 [0,1,0,0,0,1|1,0,0]=3 9342 B17R2.3956 Fc1ccccc1CNCc2ccccc2 34a_100000174869_100015291786 [0,1,0,0,0,1|1,0,0]=3 9343 B17R2.3956 Fc1ccccc1CNCc2ccccc2 34a_100015324214_100000211605 [0,1,0,0,0,1|1,0,0]=3 9344 B17R2.3956 Fc1ccccc1CNCc2ccccn2 207a_100000174869_100000209966 [0,1,0,0,0,1|2,0,0]=4 9345 B17R2.3956 Fc1ccccc1CNCc2ccccn2 270004a_100000174869_100000209966 [0,1,0,0,0,1|2,0,0]=4 9346 B17R2.3956 Fc1ccccc1CNCc2ccccn2 270004a_100000210449_100000210811 [0,1,0,0,0,1|2,0,0]=4 9347 B17R2.3956 Fc1ccccc1CNCc2ccccn2 34a_100000174869_100000721315 [0,1,0,0,0,1|2,0,0]=4 9348 B17R2.3956 Fc1ccccc1CNCc2cccnc2 207a_100000174869_100000209961 [0,1,0,0,0,1|0,0,0]=2 9349 B17R2.3956 Fc1ccccc1CNCc2cccnc2 207a_100000210453_100000210811 [0,1,0,0,0,1|0,0,0]=2 9350 B17R2.3956 Fc1ccccc1CNCc2cccnc2 270004a_100000174869_100000209961 [0,1,0,0,0,1|0,0,0]=2 9351 B17R2.3956 Fc1ccccc1CNCc2cccnc2 270004a_100000210453_100000210811 [0,1,0,0,0,1|0,0,0]=2 9352 B17R2.3956 Fc1ccccc1CNCc2cccnc2 34a_100000174869_100000733263 [0,1,0,0,0,1|0,0,0]=2 9353 B17R2.3956 Fc1ccccc1CNCc2cccnn2 2230a_100159270163_100000211605 [0,1,0,0,0,1|1,0,0]=3 9354 B17R2.3956 Fc1ccccc1CNCc2cccnn2 34a_100000174869_100016990269 [0,1,0,0,0,1|1,0,0]=3 9355 B17R2.3956 Fc1ccccc1CNCc2ccncc2 207a_100000174869_100000186114 [0,1,0,0,0,1|2,0,0]=4 9356 B17R2.3956 Fc1ccccc1CNCc2ccnnc2 270004a_100000174869_100011934578 [0,1,0,0,0,1|1,0,0]=3 9357 B17R2.3956 Fc1ccccc1CNCc2cnccn2 270004a_100000174869_100000749867 [0,1,0,0,0,1|1,0,0]=3 9358 B17R2.3956 Fc1ccccc1CNCc2cnccn2 34a_100000174869_100016995436 [0,1,0,0,0,1|1,0,0]=3 9359 B17R2.3956 Fc1ccccc1CNCc2cncnc2 207a_100011243677_100000210811 [0,1,0,0,0,1|1,0,0]=3 9360 B17R2.3956 Fc1ccccc1CNCc2cncnc2 2230a_100011243677_100000211605 [0,1,0,0,0,1|1,0,0]=3 9361 B17R2.3956 Fc1ccccc1CNCc2cncnc2 270004a_100000174869_100000749868 [0,1,0,0,0,1|1,0,0]=3 9362 B17R2.3956 Fc1ccccc1CNCc2cncnc2 270004a_100011243677_100000210811 [0,1,0,0,0,1|1,0,0]=3 9363 B17R2.3956 Fc1ccccc1CNCc2cncnc2 34a_100000174869_100015196519 [0,1,0,0,0,1|1,0,0]=3 9364 B17R2.3956 Fc1ccccc1COCc2ccccc2 34a_100000210790_100000211605 [0,1,0,0,0,1|2,0,0]=4 9365 B17R2.3956 Fc1ccccc1COCc2ccccc2 34a_100000211962_100015291786 [0,1,0,0,0,1|2,0,0]=4 9366 B17R2.3956 Fc1ccccc1COCc2ccccc2 7a_100000210790_100000211605 [0,1,0,0,0,1|2,0,0]=4 9367 B17R2.3956 Fc1ccccc1COCc2ccccc2 7a_100000211962_100000211182 [0,1,0,0,0,1|2,0,0]=4 9368 B17R2.3956 Fc1ccccc1COCc2cccnc2 34a_100000211962_100000733263 [0,1,0,0,0,1|1,0,0]=3 9369 B17R2.3956 Fc1ccccc1COCc2cccnc2 7a_100000211962_100000741622 [0,1,0,0,0,1|1,0,0]=3 9370 B17R2.3956 Fc1ccccc1COCc2cccnn2 34a_100000211962_100016990269 [0,1,0,0,0,1|2,0,0]=4 9371 B17R2.3956 Fc1ccccc1COCc2cccnn2 7a_100000211962_100016990269 [0,1,0,0,0,1|2,0,0]=4 9372 B17R2.3956 Fc1ccccc1COCc2cnccn2 34a_100000211962_100016995436 [0,1,0,0,0,1|2,0,0]=4 9373 B17R2.3956 Fc1ccccc1COCc2cnccn2 7a_100000211962_100016995436 [0,1,0,0,0,1|2,0,0]=4 9374 B17R2.3956 Fc1ccccc1COCc2cncnc2 34a_100000211962_100015196519 [0,1,0,0,0,1|2,0,0]=4 9375 B17R2.3956 Fc1ccccc1COCc2cncnc2 7a_100000211962_100015196519 [0,1,0,0,0,1|2,0,0]=4 9376 B17R2.3956 Fc1ccccc1CSCc2ccccc2 62a_100000211182_100000211605 [0,1,0,0,0,1|2,0,0]=4 9377 B17R2.3956 Fc1ccccc1CSCc2ccccc2 62a_100000211605_100015291786 [0,1,0,0,0,1|2,0,0]=4 9378 B17R2.3956 Fc1ccccc1CSCc2cccnc2 62a_100000211605_100000741622 [0,1,0,0,0,1|1,0,0]=3 9379 B17R2.3956 Fc1ccccc1CSCc2cccnc2 62a_100000741622_100000211605 [0,1,0,0,0,1|1,0,0]=3 9380 B17R2.3956 Fc1ccccc1CSCc2cccnn2 62a_100000211605_100016990269 [0,1,0,0,0,1|2,0,0]=4 9381 B17R2.3956 Fc1ccccc1CSCc2cccnn2 62a_100016990269_100000211605 [0,1,0,0,0,1|2,0,0]=4 9382 B17R2.3956 Fc1ccccc1CSCc2cnccn2 62a_100000211605_100016995436 [0,1,0,0,0,1|2,0,0]=4 9383 B17R2.3956 Fc1ccccc1CSCc2cnccn2 62a_100016995436_100000211605 [0,1,0,0,0,1|2,0,0]=4 9384 B17R2.3956 Fc1ccccc1CSCc2cncnc2 62a_100000211605_100015196519 [0,1,0,0,0,1|2,0,0]=4 9385 B17R2.3956 Fc1ccccc1CSCc2cncnc2 62a_100015196519_100000211605 [0,1,0,0,0,1|2,0,0]=4 9386 B17R2.3956 Fc1ccccc1NCCc2ccccc2 34a_100000210422_100000765856 [0,1,0,0,0,1|1,0,0]=3 9387 B17R2.3956 Fc1ccccc1NN=Cc2ccccc2 4a_100000239246_100015611070 [0,1,0,0,0,1|1,0,1]=4 9388 B17R2.3956 Fc1ccccc1NN=Cc2cccnc2 4a_100000239246_100000209961 [0,1,0,0,0,1|0,0,1]=3 9389 B17R2.3956 Fc1ccccc1NN=Cc2ccnnc2 4a_100000239246_100011934578 [0,1,0,0,0,1|1,0,1]=4 9390 B17R2.3956 Fc1ccccc1NN=Cc2cnccn2 4a_100000239246_100000749867 [0,1,0,0,0,1|1,0,1]=4 9391 B17R2.3956 Fc1ccccc1NN=Cc2cncnc2 4a_100000239246_100000749868 [0,1,0,0,0,1|1,0,1]=4 9392 B17R2.3956 Fc1ccccc1OCCc2ccccc2 34a_100000210171_100000765856 [0,1,0,0,0,1|2,0,0]=4 9393 B17R2.3956 Fc1ccccc1OCCc2ccccc2 7a_100000210171_100000765856 [0,1,0,0,0,1|2,0,0]=4 9394 B17R2.3956 Fc1ccccc1OCCc2cccnc2 7a_100000210171_200011713674 [0,1,0,0,0,1|1,0,0]=3 9395 B17R2.3956 Fc1ccccc1SCCc2ccccc2 62a_100000765856_100011215700 [0,1,0,0,0,1|2,0,0]=4 9396 B17R2.3956 Fc1ccccc1SCCc2ccccc2 62a_100011215700_100011218657 [0,1,0,0,0,1|2,0,0]=4 9397 B17R2.3956 Fc1ccccc1SCCc2cccnc2 62a_100011215700_200011713674 [0,1,0,0,0,1|1,0,0]=3 9398 B17R2.3956 Fc1ccccc1SCCc2cccnc2 62a_200011713674_100011215700 [0,1,0,0,0,1|1,0,0]=3 9399 B17R2.3956 Fc1ccccc1SCSc2ccccc2 62a_100011215700_100011218342 [0,1,0,0,0,1|2,0,0]=4 9400 B17R2.3956 Fc1ccccc1SCSc2ccccc2 62a_100011218342_100011215700 [0,1,0,0,0,1|2,0,0]=4 9401 B17R2.3956 Fc1cccnc1CNCc2ccccc2 207a_100015324214_100011934734 [0,1,0,0,0,1|2,0,0]=4 9402 B17R2.3956 Fc1cccnc1CNCc2ccccc2 2230a_100015324214_100000104219 [0,1,0,0,0,1|2,0,0]=4 9403 B17R2.3956 Fc1cccnc1CNCc2ccccc2 270004a_100000690088_100015611070 [0,1,0,0,0,1|2,0,0]=4 9404 B17R2.3956 Fc1cccnc1CNCc2ccccc2 270004a_100015324214_100011934734 [0,1,0,0,0,1|2,0,0]=4 9405 B17R2.3956 Fc1cccnc1CNCc2ccccc2 34a_100000690088_100015291786 [0,1,0,0,0,1|2,0,0]=4 9406 B17R2.3956 Fc1cccnc1CNCc2ccccc2 34a_100015324214_100000104219 [0,1,0,0,0,1|2,0,0]=4 9407 B17R2.3956 Fc1cccnc1CNCc2cccnc2 207a_100000210453_100011934734 [0,1,0,0,0,1|1,0,0]=3 9408 B17R2.3956 Fc1cccnc1CNCc2cccnc2 270004a_100000210453_100011934734 [0,1,0,0,0,1|1,0,0]=3 9409 B17R2.3956 Fc1cccnc1CNCc2cccnc2 270004a_100000690088_100000209961 [0,1,0,0,0,1|1,0,0]=3 9410 B17R2.3956 Fc1cccnc1CNCc2cccnc2 34a_100000690088_100000733263 [0,1,0,0,0,1|1,0,0]=3 9411 B17R2.3956 Fc1cccnc1CNCc2cccnn2 2230a_100159270163_100000104219 [0,1,0,0,0,1|2,0,0]=4 9412 B17R2.3956 Fc1cccnc1CNCc2cccnn2 34a_100000690088_100016990269 [0,1,0,0,0,1|2,0,0]=4 9413 B17R2.3956 Fc1cccnc1CNCc2ccnnc2 270004a_100000690088_100011934578 [0,1,0,0,0,1|2,0,0]=4 9414 B17R2.3956 Fc1cccnc1CNCc2cnccn2 270004a_100000690088_100000749867 [0,1,0,0,0,1|2,0,0]=4 9415 B17R2.3956 Fc1cccnc1CNCc2cnccn2 34a_100000690088_100016995436 [0,1,0,0,0,1|2,0,0]=4 9416 B17R2.3956 Fc1cccnc1CNCc2cncnc2 207a_100011243677_100011934734 [0,1,0,0,0,1|2,0,0]=4 9417 B17R2.3956 Fc1cccnc1CNCc2cncnc2 2230a_100011243677_100000104219 [0,1,0,0,0,1|2,0,0]=4 9418 B17R2.3956 Fc1cccnc1CNCc2cncnc2 270004a_100000690088_100000749868 [0,1,0,0,0,1|2,0,0]=4 9419 B17R2.3956 Fc1cccnc1CNCc2cncnc2 270004a_100011243677_100011934734 [0,1,0,0,0,1|2,0,0]=4 9420 B17R2.3956 Fc1cccnc1CNCc2cncnc2 34a_100000690088_100015196519 [0,1,0,0,0,1|2,0,0]=4 9421 B17R2.3956 Fc1cccnc1COCc2cccnc2 34a_100011934865_100000733263 [0,1,0,0,0,1|2,0,0]=4 9422 B17R2.3956 Fc1cccnc1CSCc2cccnc2 62a_100000104219_100000741622 [0,1,0,0,0,1|2,0,0]=4 9423 B17R2.3956 Fc1cccnc1CSCc2cccnc2 62a_100000741622_100000104219 [0,1,0,0,0,1|2,0,0]=4 9424 B17R2.3956 Fc1cccnc1NN=Cc2cccnc2 4a_100000717775_100000209961 [0,1,0,0,0,1|1,0,1]=4 9425 B17R2.3956 Fc1cccnc1SCCc2cccnc2 62a_100000685392_200011713674 [0,1,0,0,0,1|2,0,0]=4 9426 B17R2.3956 Fc1cccnc1SCCc2cccnc2 62a_200011713674_100000685392 [0,1,0,0,0,1|2,0,0]=4 9427 B17R2.3956 Fc1ccncc1C=CCc2ccccc2 271570a_200016263579_100009820683 [0,1,0,0,0,1|1,0,1]=4 9428 B17R2.3956 Fc1ccncc1SCCc2ccccc2 62a_100000765856_100009820683 [0,1,0,0,0,1|1,0,0]=3 9429 B17R2.3956 Fc1ccncc1SCCc2ccccc2 62a_100009820683_100011218657 [0,1,0,0,0,1|1,0,0]=3 9430 B17R2.3956 Fc1ccncc1SCCc2ccccn2 62a_100009820683_100015183660 [0,1,0,0,0,1|2,0,0]=4 9431 B17R2.3956 Fc1ccncc1SCCc2ccccn2 62a_100015183660_100009820683 [0,1,0,0,0,1|2,0,0]=4 9432 B17R2.3956 Fc1ccncc1SCCc2cccnc2 62a_100009820683_200011713674 [0,1,0,0,0,1|2,0,0]=4 9433 B17R2.3956 Fc1ccncc1SCCc2cccnc2 62a_200011713674_100009820683 [0,1,0,0,0,1|2,0,0]=4 9434 B17R2.3956 Fc1ccncc1SCCc2ccncc2 62a_100000723409_100009820683 [0,1,0,0,0,1|2,0,0]=4 9435 B17R2.3956 Fc1ccncc1SCCc2ccncc2 62a_100009820683_100000723409 [0,1,0,0,0,1|2,0,0]=4 9436 B17R2.3956 Fc1ccncc1SCSc2ccccc2 62a_100009820683_100011218342 [0,1,0,0,0,1|1,0,0]=3 9437 B17R2.3956 Fc1ccncc1SCSc2ccccc2 62a_100011218342_100009820683 [0,1,0,0,0,1|1,0,0]=3 9438 B17R2.3956 Fc1cnccc1CNCc2ccccc2 207a_100011935246_100015611070 [0,1,0,0,0,1|2,0,0]=4 9439 B17R2.3956 Fc1cnccc1CNCc2ccccc2 270004a_100011935246_100015611070 [0,1,0,0,0,1|2,0,0]=4 9440 B17R2.3956 Fc1cnccc1CNCc2ccccc2 34a_100011935246_100015291786 [0,1,0,0,0,1|2,0,0]=4 9441 B17R2.3956 Fc1cnccc1CNCc2cccnc2 207a_100011935246_100000209961 [0,1,0,0,0,1|1,0,0]=3 9442 B17R2.3956 Fc1cnccc1CNCc2cccnc2 270004a_100011935246_100000209961 [0,1,0,0,0,1|1,0,0]=3 9443 B17R2.3956 Fc1cnccc1CNCc2cccnc2 34a_100011935246_100000733263 [0,1,0,0,0,1|1,0,0]=3 9444 B17R2.3956 Fc1cnccc1CNCc2cccnn2 34a_100011935246_100016990269 [0,1,0,0,0,1|2,0,0]=4 9445 B17R2.3956 Fc1cnccc1CNCc2ccnnc2 270004a_100011935246_100011934578 [0,1,0,0,0,1|2,0,0]=4 9446 B17R2.3956 Fc1cnccc1CNCc2cnccn2 270004a_100011935246_100000749867 [0,1,0,0,0,1|2,0,0]=4 9447 B17R2.3956 Fc1cnccc1CNCc2cnccn2 34a_100011935246_100016995436 [0,1,0,0,0,1|2,0,0]=4 9448 B17R2.3956 Fc1cnccc1CNCc2cncnc2 270004a_100011935246_100000749868 [0,1,0,0,0,1|2,0,0]=4 9449 B17R2.3956 Fc1cnccc1CNCc2cncnc2 34a_100011935246_100015196519 [0,1,0,0,0,1|2,0,0]=4 9450 B17R2.3956 Fc1cnccc1COCc2cccnc2 34a_100012172863_100000733263 [0,1,0,0,0,1|2,0,0]=4 9451 B17R2.3956 Fc1cnccc1NCCc2ccccc2 27a_100000106460_100000035921 [0,1,0,0,0,1|2,0,0]=4 9452 B17R2.3956 Fc1cnccc1NCCc2cccnc2 27a_100000736294_100000035921 [0,1,0,0,0,1|1,0,0]=3 9453 B17R2.3956 Fc1cnccc1NCCc2cnccn2 27a_100000723456_100000035921 [0,1,0,0,0,1|2,0,0]=4 9454 B17R2.3956 Fc1cnccc1SCCc2cccnc2 62a_100000047030_200011713674 [0,1,0,0,0,1|2,0,0]=4 9455 B17R2.3956 Fc1cnccc1SCCc2cccnc2 62a_200011713674_100000047030 [0,1,0,0,0,1|2,0,0]=4 9456 B17R2.3956 Fc1cncnc1NCCc2cccnc2 27a_100000736294_100000069762 [0,1,0,0,0,1|2,0,0]=4 9457 B17R2.3956 Fc1ncccc1C=CCc2ccccc2 271570a_200016263579_100009816115 [0,1,0,0,0,1|1,0,1]=4 9458 B17R2.3956 Fc1ncccc1C=NNc2ccccc2 4a_100015195140_100000067307 [0,1,0,0,0,1|0,0,1]=3 9459 B17R2.3956 Fc1ncccc1C=NNc2ccccn2 4a_100000183288_100000067307 [0,1,0,0,0,1|1,0,1]=4 9460 B17R2.3956 Fc1ncccc1C=NNc2cccnc2 4a_100000728903_100000067307 [0,1,0,0,0,1|1,0,1]=4 9461 B17R2.3956 Fc1ncccc1C=NNc2ccncc2 4a_100000698918_100000067307 [0,1,0,0,0,1|1,0,1]=4 9462 B17R2.3956 Fc1ncccc1CNCc2ccccc2 2230a_100015324214_100000099810 [0,1,0,0,0,1|0,0,0]=2 9463 B17R2.3956 Fc1ncccc1CNCc2ccccc2 270004a_100000724633_100015611070 [0,1,0,0,0,1|0,0,0]=2 9464 B17R2.3956 Fc1ncccc1CNCc2ccccc2 34a_100000724633_100015291786 [0,1,0,0,0,1|0,0,0]=2 9465 B17R2.3956 Fc1ncccc1CNCc2ccccc2 34a_100015324214_100000099810 [0,1,0,0,0,1|0,0,0]=2 9466 B17R2.3956 Fc1ncccc1CNCc2ccccn2 270004a_100000724633_100000209966 [0,1,0,0,0,1|1,0,0]=3 9467 B17R2.3956 Fc1ncccc1CNCc2ccccn2 34a_100000724633_100000721315 [0,1,0,0,0,1|1,0,0]=3 9468 B17R2.3956 Fc1ncccc1CNCc2cccnc2 270004a_100000724633_100000209961 [0,1,0,0,0,1|1,0,0]=3 9469 B17R2.3956 Fc1ncccc1CNCc2cccnc2 34a_100000724633_100000733263 [0,1,0,0,0,1|1,0,0]=3 9470 B17R2.3956 Fc1ncccc1CNCc2cccnn2 2230a_100159270163_100000099810 [0,1,0,0,0,1|2,0,0]=4 9471 B17R2.3956 Fc1ncccc1CNCc2cccnn2 34a_100000724633_100016990269 [0,1,0,0,0,1|2,0,0]=4 9472 B17R2.3956 Fc1ncccc1CNCc2ccnnc2 270004a_100000724633_100011934578 [0,1,0,0,0,1|2,0,0]=4 9473 B17R2.3956 Fc1ncccc1CNCc2cnccn2 270004a_100000724633_100000749867 [0,1,0,0,0,1|2,0,0]=4 9474 B17R2.3956 Fc1ncccc1CNCc2cnccn2 34a_100000724633_100016995436 [0,1,0,0,0,1|2,0,0]=4 9475 B17R2.3956 Fc1ncccc1CNCc2cncnc2 2230a_100011243677_100000099810 [0,1,0,0,0,1|2,0,0]=4 9476 B17R2.3956 Fc1ncccc1CNCc2cncnc2 270004a_100000724633_100000749868 [0,1,0,0,0,1|2,0,0]=4 9477 B17R2.3956 Fc1ncccc1CNCc2cncnc2 34a_100000724633_100015196519 [0,1,0,0,0,1|2,0,0]=4 9478 B17R2.3956 Fc1ncccc1CNCc2ncccn2 270004a_100000724633_100011532527 [0,1,0,0,0,1|2,0,0]=4 9479 B17R2.3956 Fc1ncccc1CNCc2ncccn2 34a_100000724633_100000703007 [0,1,0,0,0,1|2,0,0]=4 9480 B17R2.3956 Fc1ncccc1COCc2ccccc2 34a_100000079888_100015291786 [0,1,0,0,0,1|1,0,0]=3 9481 B17R2.3956 Fc1ncccc1COCc2ccccc2 34a_100000210790_100000099810 [0,1,0,0,0,1|1,0,0]=3 9482 B17R2.3956 Fc1ncccc1COCc2ccccc2 7a_100000079888_100000211182 [0,1,0,0,0,1|1,0,0]=3 9483 B17R2.3956 Fc1ncccc1COCc2ccccc2 7a_100000210790_100000099810 [0,1,0,0,0,1|1,0,0]=3 9484 B17R2.3956 Fc1ncccc1COCc2ccccn2 34a_100000079888_100000721315 [0,1,0,0,0,1|2,0,0]=4 9485 B17R2.3956 Fc1ncccc1COCc2ccccn2 7a_100000079888_100000721315 [0,1,0,0,0,1|2,0,0]=4 9486 B17R2.3956 Fc1ncccc1COCc2cccnc2 34a_100000079888_100000733263 [0,1,0,0,0,1|2,0,0]=4 9487 B17R2.3956 Fc1ncccc1COCc2cccnc2 7a_100000079888_100000741622 [0,1,0,0,0,1|2,0,0]=4 9488 B17R2.3956 Fc1ncccc1COCc2ccncc2 7a_100000079888_100015193705 [0,1,0,0,0,1|2,0,0]=4 9489 B17R2.3956 Fc1ncccc1CSCc2ccccc2 62a_100000099810_100015291786 [0,1,0,0,0,1|1,0,0]=3 9490 B17R2.3956 Fc1ncccc1CSCc2ccccc2 62a_100000211182_100000099810 [0,1,0,0,0,1|1,0,0]=3 9491 B17R2.3956 Fc1ncccc1CSCc2ccccn2 62a_100000099810_100000721315 [0,1,0,0,0,1|2,0,0]=4 9492 B17R2.3956 Fc1ncccc1CSCc2ccccn2 62a_100000721315_100000099810 [0,1,0,0,0,1|2,0,0]=4 9493 B17R2.3956 Fc1ncccc1CSCc2cccnc2 62a_100000099810_100000741622 [0,1,0,0,0,1|2,0,0]=4 9494 B17R2.3956 Fc1ncccc1CSCc2cccnc2 62a_100000741622_100000099810 [0,1,0,0,0,1|2,0,0]=4 9495 B17R2.3956 Fc1ncccc1CSCc2ccncc2 62a_100000099810_100015193705 [0,1,0,0,0,1|2,0,0]=4 9496 B17R2.3956 Fc1ncccc1CSCc2ccncc2 62a_100015193705_100000099810 [0,1,0,0,0,1|2,0,0]=4 9497 B17R2.3956 Fc1ncccc1OCCc2ccccc2 34a_100000061740_100000765856 [0,1,0,0,0,1|1,0,0]=3 9498 B17R2.3956 Fc1ncccc1OCCc2ccccc2 7a_100000061740_100000765856 [0,1,0,0,0,1|1,0,0]=3 9499 B17R2.3956 Fc1ncccc1OCCc2ccccn2 7a_100000061740_100015183660 [0,1,0,0,0,1|2,0,0]=4 9500 B17R2.3956 Fc1ncccc1OCCc2cccnc2 7a_100000061740_200011713674 [0,1,0,0,0,1|2,0,0]=4 9501 B17R2.3956 Fc1ncccc1OCCc2ccncc2 7a_100000061740_100000723409 [0,1,0,0,0,1|2,0,0]=4 9502 B17R2.3956 Fc1ncccc1SCCc2ccccc2 62a_100000765856_100009816115 [0,1,0,0,0,1|1,0,0]=3 9503 B17R2.3956 Fc1ncccc1SCCc2ccccc2 62a_100009816115_100011218657 [0,1,0,0,0,1|1,0,0]=3 9504 B17R2.3956 Fc1ncccc1SCCc2ccccn2 62a_100009816115_100015183660 [0,1,0,0,0,1|2,0,0]=4 9505 B17R2.3956 Fc1ncccc1SCCc2ccccn2 62a_100015183660_100009816115 [0,1,0,0,0,1|2,0,0]=4 9506 B17R2.3956 Fc1ncccc1SCCc2cccnc2 62a_100009816115_200011713674 [0,1,0,0,0,1|2,0,0]=4 9507 B17R2.3956 Fc1ncccc1SCCc2cccnc2 62a_200011713674_100009816115 [0,1,0,0,0,1|2,0,0]=4 9508 B17R2.3956 Fc1ncccc1SCCc2ccncc2 62a_100000723409_100009816115 [0,1,0,0,0,1|2,0,0]=4 9509 B17R2.3956 Fc1ncccc1SCCc2ccncc2 62a_100009816115_100000723409 [0,1,0,0,0,1|2,0,0]=4 9510 B17R2.3956 Fc1ncccc1SCSc2ccccc2 62a_100009816115_100011218342 [0,1,0,0,0,1|1,0,0]=3 9511 B17R2.3956 Fc1ncccc1SCSc2ccccc2 62a_100011218342_100009816115 [0,1,0,0,0,1|1,0,0]=3 9512 B17R2.3956 Fc1nccnc1NCCc2ccccc2 27a_100000106460_200010125657 [0,1,0,0,0,1|2,0,0]=4 9513 B17R2.3956 Fc1nccnc1NCCc2cccnc2 27a_100000736294_200010125657 [0,1,0,0,0,1|2,0,0]=4 9514 B17R2.3956 Fc1nccnc1SCCc2ccccc2 62a_100000765856_200010125657 [0,1,0,0,0,1|2,0,0]=4 9515 B17R2.3956 Fc1nccnc1SCCc2ccccc2 62a_200010125657_100011218657 [0,1,0,0,0,1|2,0,0]=4 9516 B17R2.3956 Fc1nccnc1SCSc2ccccc2 62a_100011218342_200010125657 [0,1,0,0,0,1|2,0,0]=4 9517 B17R2.3956 Fc1nccnc1SCSc2ccccc2 62a_200010125657_100011218342 [0,1,0,0,0,1|2,0,0]=4 9518 B17R2.3956 Ic1ccccc1C=NNc2ccccc2 4a_100015195140_100000010305 [0,1,0,0,0,1|1,0,1]=4 9519 B17R2.3956 Ic1ccccc1C=NNc2cccnc2 4a_100000728903_100000010305 [0,1,0,0,0,1|1,0,1]=4 9520 B17R2.3956 Ic1ccccc1CNCc2ccccc2 207a_100015324214_100000010305 [0,1,0,0,0,1|1,0,0]=3 9521 B17R2.3956 Ic1ccccc1CNCc2ccccc2 207a_100015347259_100015611070 [0,1,0,0,0,1|1,0,0]=3 9522 B17R2.3956 Ic1ccccc1CNCc2ccccc2 2230a_100015324214_100011215278 [0,1,0,0,0,1|1,0,0]=3 9523 B17R2.3956 Ic1ccccc1CNCc2ccccc2 270004a_100015324214_100000010305 [0,1,0,0,0,1|1,0,0]=3 9524 B17R2.3956 Ic1ccccc1CNCc2ccccc2 270004a_100015347259_100015611070 [0,1,0,0,0,1|1,0,0]=3 9525 B17R2.3956 Ic1ccccc1CNCc2ccccc2 34a_100015324214_100011215278 [0,1,0,0,0,1|1,0,0]=3 9526 B17R2.3956 Ic1ccccc1CNCc2ccccn2 207a_100015347259_100000209966 [0,1,0,0,0,1|2,0,0]=4 9527 B17R2.3956 Ic1ccccc1CNCc2ccccn2 270004a_100000210449_100000010305 [0,1,0,0,0,1|2,0,0]=4 9528 B17R2.3956 Ic1ccccc1CNCc2ccccn2 270004a_100015347259_100000209966 [0,1,0,0,0,1|2,0,0]=4 9529 B17R2.3956 Ic1ccccc1CNCc2cccnc2 207a_100000210453_100000010305 [0,1,0,0,0,1|0,0,0]=2 9530 B17R2.3956 Ic1ccccc1CNCc2cccnc2 207a_100015347259_100000209961 [0,1,0,0,0,1|0,0,0]=2 9531 B17R2.3956 Ic1ccccc1CNCc2cccnc2 270004a_100000210453_100000010305 [0,1,0,0,0,1|0,0,0]=2 9532 B17R2.3956 Ic1ccccc1CNCc2cccnc2 270004a_100015347259_100000209961 [0,1,0,0,0,1|0,0,0]=2 9533 B17R2.3956 Ic1ccccc1CNCc2cccnn2 2230a_100159270163_100011215278 [0,1,0,0,0,1|1,0,0]=3 9534 B17R2.3956 Ic1ccccc1CNCc2ccncc2 207a_100015347259_100000186114 [0,1,0,0,0,1|2,0,0]=4 9535 B17R2.3956 Ic1ccccc1CNCc2ccnnc2 270004a_100015347259_100011934578 [0,1,0,0,0,1|1,0,0]=3 9536 B17R2.3956 Ic1ccccc1CNCc2cnccn2 270004a_100015347259_100000749867 [0,1,0,0,0,1|1,0,0]=3 9537 B17R2.3956 Ic1ccccc1CNCc2cncnc2 207a_100011243677_100000010305 [0,1,0,0,0,1|1,0,0]=3 9538 B17R2.3956 Ic1ccccc1CNCc2cncnc2 2230a_100011243677_100011215278 [0,1,0,0,0,1|1,0,0]=3 9539 B17R2.3956 Ic1ccccc1CNCc2cncnc2 270004a_100011243677_100000010305 [0,1,0,0,0,1|1,0,0]=3 9540 B17R2.3956 Ic1ccccc1CNCc2cncnc2 270004a_100015347259_100000749868 [0,1,0,0,0,1|1,0,0]=3 9541 B17R2.3956 Ic1ccccc1COCc2ccccc2 34a_100000187465_100015291786 [0,1,0,0,0,1|2,0,0]=4 9542 B17R2.3956 Ic1ccccc1COCc2ccccc2 34a_100000210790_100011215278 [0,1,0,0,0,1|2,0,0]=4 9543 B17R2.3956 Ic1ccccc1COCc2ccccc2 7a_100000187465_100000211182 [0,1,0,0,0,1|2,0,0]=4 9544 B17R2.3956 Ic1ccccc1COCc2ccccc2 7a_100000210790_100011215278 [0,1,0,0,0,1|2,0,0]=4 9545 B17R2.3956 Ic1ccccc1COCc2cccnc2 34a_100000187465_100000733263 [0,1,0,0,0,1|1,0,0]=3 9546 B17R2.3956 Ic1ccccc1COCc2cccnc2 7a_100000187465_100000741622 [0,1,0,0,0,1|1,0,0]=3 9547 B17R2.3956 Ic1ccccc1COCc2cccnn2 34a_100000187465_100016990269 [0,1,0,0,0,1|2,0,0]=4 9548 B17R2.3956 Ic1ccccc1COCc2cccnn2 7a_100000187465_100016990269 [0,1,0,0,0,1|2,0,0]=4 9549 B17R2.3956 Ic1ccccc1COCc2cnccn2 34a_100000187465_100016995436 [0,1,0,0,0,1|2,0,0]=4 9550 B17R2.3956 Ic1ccccc1COCc2cnccn2 7a_100000187465_100016995436 [0,1,0,0,0,1|2,0,0]=4 9551 B17R2.3956 Ic1ccccc1COCc2cncnc2 34a_100000187465_100015196519 [0,1,0,0,0,1|2,0,0]=4 9552 B17R2.3956 Ic1ccccc1COCc2cncnc2 7a_100000187465_100015196519 [0,1,0,0,0,1|2,0,0]=4 9553 B17R2.3956 Ic1ccccc1CSCc2ccccc2 62a_100000211182_100011216222 [0,1,0,0,0,1|2,0,0]=4 9554 B17R2.3956 Ic1ccccc1CSCc2ccccc2 62a_100011216222_100015291786 [0,1,0,0,0,1|2,0,0]=4 9555 B17R2.3956 Ic1ccccc1CSCc2cccnc2 62a_100000741622_100011216222 [0,1,0,0,0,1|1,0,0]=3 9556 B17R2.3956 Ic1ccccc1CSCc2cccnc2 62a_100011216222_100000741622 [0,1,0,0,0,1|1,0,0]=3 9557 B17R2.3956 Ic1ccccc1CSCc2cccnn2 62a_100011216222_100016990269 [0,1,0,0,0,1|2,0,0]=4 9558 B17R2.3956 Ic1ccccc1CSCc2cccnn2 62a_100016990269_100011216222 [0,1,0,0,0,1|2,0,0]=4 9559 B17R2.3956 Ic1ccccc1CSCc2cnccn2 62a_100011216222_100016995436 [0,1,0,0,0,1|2,0,0]=4 9560 B17R2.3956 Ic1ccccc1CSCc2cnccn2 62a_100016995436_100011216222 [0,1,0,0,0,1|2,0,0]=4 9561 B17R2.3956 Ic1ccccc1CSCc2cncnc2 62a_100011216222_100015196519 [0,1,0,0,0,1|2,0,0]=4 9562 B17R2.3956 Ic1ccccc1CSCc2cncnc2 62a_100015196519_100011216222 [0,1,0,0,0,1|2,0,0]=4 9563 B17R2.3956 Ic1ccccc1NCCc2ccccc2 34a_100000210053_100000765856 [0,1,0,0,0,1|1,0,0]=3 9564 B17R2.3956 Ic1ccccc1NN=Cc2ccccc2 4a_100011218156_100015611070 [0,1,0,0,0,1|1,0,1]=4 9565 B17R2.3956 Ic1ccccc1NN=Cc2cccnc2 4a_100011218156_100000209961 [0,1,0,0,0,1|0,0,1]=3 9566 B17R2.3956 Ic1ccccc1NN=Cc2ccnnc2 4a_100011218156_100011934578 [0,1,0,0,0,1|1,0,1]=4 9567 B17R2.3956 Ic1ccccc1NN=Cc2cnccn2 4a_100011218156_100000749867 [0,1,0,0,0,1|1,0,1]=4 9568 B17R2.3956 Ic1ccccc1NN=Cc2cncnc2 4a_100011218156_100000749868 [0,1,0,0,0,1|1,0,1]=4 9569 B17R2.3956 Ic1ccccc1OCCc2ccccc2 34a_100000739446_100000765856 [0,1,0,0,0,1|2,0,0]=4 9570 B17R2.3956 Ic1ccccc1OCCc2ccccc2 7a_100000739446_100000765856 [0,1,0,0,0,1|2,0,0]=4 9571 B17R2.3956 Ic1ccccc1OCCc2cccnc2 7a_100000739446_200011713674 [0,1,0,0,0,1|1,0,0]=3 9572 B17R2.3956 Ic1cccnc1NN=Cc2cccnc2 4a_100010221029_100000209961 [0,1,0,0,0,1|1,0,1]=4 9573 B17R2.3956 Ic1ccncc1OCCc2ccccc2 34a_100000050107_100000765856 [0,1,0,0,0,1|1,0,0]=3 9574 B17R2.3956 Ic1ncccc1OCCc2ccccc2 34a_100000034122_100000765856 [0,1,0,0,0,1|1,0,0]=3 9575 B17R2.3956 Ic1ncccc1OCCc2ccccc2 7a_100000034122_100000765856 [0,1,0,0,0,1|1,0,0]=3 9576 B17R2.3956 Ic1ncccc1OCCc2ccccn2 7a_100000034122_100015183660 [0,1,0,0,0,1|2,0,0]=4 9577 B17R2.3956 Ic1ncccc1OCCc2cccnc2 7a_100000034122_200011713674 [0,1,0,0,0,1|2,0,0]=4 9578 B17R2.3956 Ic1ncccc1OCCc2ccncc2 7a_100000034122_100000723409 [0,1,0,0,0,1|2,0,0]=4 9579 B17R2.3956 Nc1ccccc1C=CCc2ccccc2 271570a_200016263579_100000210017 [0,1,0,0,0,1|2,0,0]=4 9580 B17R2.3956 Nc1ccccc1COCc2ccccc2 34a_100000212039_100015291786 [0,1,0,0,0,1|2,0,0]=4 9581 B17R2.3956 Nc1ccccc1COCc2cccnc2 34a_100000212039_100000733263 [0,1,0,0,0,1|1,0,0]=3 9582 B17R2.3956 Nc1ccccc1COCc2cccnn2 34a_100000212039_100016990269 [0,1,0,0,0,1|2,0,0]=4 9583 B17R2.3956 Nc1ccccc1COCc2cnccn2 34a_100000212039_100016995436 [0,1,0,0,0,1|2,0,0]=4 9584 B17R2.3956 Nc1ccccc1COCc2cncnc2 34a_100000212039_100015196519 [0,1,0,0,0,1|2,0,0]=4 9585 B17R2.3956 Nc1ccccc1OCCc2ccccc2 34a_100000185747_100000765856 [0,1,0,0,0,1|2,0,0]=4 9586 B17R2.3956 Nc1ccccc1OCCc2ccccc2 7a_100000185747_100000765856 [0,1,0,0,0,1|2,0,0]=4 9587 B17R2.3956 Nc1ccccc1OCCc2cccnc2 7a_100000185747_200011713674 [0,1,0,0,0,1|1,0,0]=3 9588 B17R2.3956 Nc1ccccc1SCCc2ccccc2 62a_100000210017_100011218657 [0,1,0,0,0,1|2,0,0]=4 9589 B17R2.3956 Nc1ccccc1SCCc2ccccc2 62a_100000765856_100000210017 [0,1,0,0,0,1|2,0,0]=4 9590 B17R2.3956 Nc1ccccc1SCCc2cccnc2 62a_100000210017_200011713674 [0,1,0,0,0,1|1,0,0]=3 9591 B17R2.3956 Nc1ccccc1SCCc2cccnc2 62a_200011713674_100000210017 [0,1,0,0,0,1|1,0,0]=3 9592 B17R2.3956 Nc1ccccc1SCSc2ccccc2 62a_100000210017_100011218342 [0,1,0,0,0,1|2,0,0]=4 9593 B17R2.3956 Nc1ccccc1SCSc2ccccc2 62a_100011218342_100000210017 [0,1,0,0,0,1|2,0,0]=4 9594 B17R2.3956 Nc1cccnc1COCc2cccnc2 34a_114873767017_100000733263 [0,1,0,0,0,1|2,0,0]=4 9595 B17R2.3956 Nc1cccnc1SCCc2cccnc2 62a_100000688686_200011713674 [0,1,0,0,0,1|2,0,0]=4 9596 B17R2.3956 Nc1cccnc1SCCc2cccnc2 62a_200011713674_100000688686 [0,1,0,0,0,1|2,0,0]=4 9597 B17R2.3956 Nc1ccncc1C=CCc2ccccc2 271570a_200016263579_100000047001 [0,1,0,0,0,1|1,0,1]=4 9598 B17R2.3956 Nc1ccncc1OCCc2ccccc2 34a_100000753702_100000765856 [0,1,0,0,0,1|1,0,0]=3 9599 B17R2.3956 Nc1ccncc1SCCc2ccccc2 62a_100000047001_100011218657 [0,1,0,0,0,1|1,0,0]=3 9600 B17R2.3956 Nc1ccncc1SCCc2ccccc2 62a_100000765856_100000047001 [0,1,0,0,0,1|1,0,0]=3 9601 B17R2.3956 Nc1ccncc1SCCc2ccccn2 62a_100000047001_100015183660 [0,1,0,0,0,1|2,0,0]=4 9602 B17R2.3956 Nc1ccncc1SCCc2ccccn2 62a_100015183660_100000047001 [0,1,0,0,0,1|2,0,0]=4 9603 B17R2.3956 Nc1ccncc1SCCc2cccnc2 62a_100000047001_200011713674 [0,1,0,0,0,1|2,0,0]=4 9604 B17R2.3956 Nc1ccncc1SCCc2cccnc2 62a_200011713674_100000047001 [0,1,0,0,0,1|2,0,0]=4 9605 B17R2.3956 Nc1ccncc1SCCc2ccncc2 62a_100000047001_100000723409 [0,1,0,0,0,1|2,0,0]=4 9606 B17R2.3956 Nc1ccncc1SCCc2ccncc2 62a_100000723409_100000047001 [0,1,0,0,0,1|2,0,0]=4 9607 B17R2.3956 Nc1ccncc1SCSc2ccccc2 62a_100000047001_100011218342 [0,1,0,0,0,1|1,0,0]=3 9608 B17R2.3956 Nc1ccncc1SCSc2ccccc2 62a_100011218342_100000047001 [0,1,0,0,0,1|1,0,0]=3 9609 B17R2.3956 Nc1cnccc1SCCc2cccnc2 62a_100000756074_200011713674 [0,1,0,0,0,1|2,0,0]=4 9610 B17R2.3956 Nc1cnccc1SCCc2cccnc2 62a_200011713674_100000756074 [0,1,0,0,0,1|2,0,0]=4 9611 B17R2.3956 Nc1cncnc1NCCc2cccnc2 27a_100000736294_100000709731 [0,1,0,0,0,1|2,0,0]=4 9612 B17R2.3956 Nc1cnncc1SCCc2ccccc2 62a_100000765856_100009829405 [0,1,0,0,0,1|2,0,0]=4 9613 B17R2.3956 Nc1cnncc1SCCc2ccccc2 62a_100009829405_100011218657 [0,1,0,0,0,1|2,0,0]=4 9614 B17R2.3956 Nc1cnncc1SCSc2ccccc2 62a_100009829405_100011218342 [0,1,0,0,0,1|2,0,0]=4 9615 B17R2.3956 Nc1cnncc1SCSc2ccccc2 62a_100011218342_100009829405 [0,1,0,0,0,1|2,0,0]=4 9616 B17R2.3956 Nc1ncccc1C=CCc2ccccc2 271570a_200016263579_100000045569 [0,1,0,0,0,1|1,0,1]=4 9617 B17R2.3956 Nc1ncccc1OCCc2ccccc2 34a_100000211975_100000765856 [0,1,0,0,0,1|1,0,0]=3 9618 B17R2.3956 Nc1ncccc1OCCc2ccccc2 7a_100000211975_100000765856 [0,1,0,0,0,1|1,0,0]=3 9619 B17R2.3956 Nc1ncccc1OCCc2ccccn2 7a_100000211975_100015183660 [0,1,0,0,0,1|2,0,0]=4 9620 B17R2.3956 Nc1ncccc1OCCc2cccnc2 7a_100000211975_200011713674 [0,1,0,0,0,1|2,0,0]=4 9621 B17R2.3956 Nc1ncccc1OCCc2ccncc2 7a_100000211975_100000723409 [0,1,0,0,0,1|2,0,0]=4 9622 B17R2.3956 Nc1ncccc1SCCc2ccccc2 62a_100000045569_100011218657 [0,1,0,0,0,1|1,0,0]=3 9623 B17R2.3956 Nc1ncccc1SCCc2ccccc2 62a_100000765856_100000045569 [0,1,0,0,0,1|1,0,0]=3 9624 B17R2.3956 Nc1ncccc1SCCc2ccccn2 62a_100000045569_100015183660 [0,1,0,0,0,1|2,0,0]=4 9625 B17R2.3956 Nc1ncccc1SCCc2ccccn2 62a_100015183660_100000045569 [0,1,0,0,0,1|2,0,0]=4 9626 B17R2.3956 Nc1ncccc1SCCc2cccnc2 62a_100000045569_200011713674 [0,1,0,0,0,1|2,0,0]=4 9627 B17R2.3956 Nc1ncccc1SCCc2cccnc2 62a_200011713674_100000045569 [0,1,0,0,0,1|2,0,0]=4 9628 B17R2.3956 Nc1ncccc1SCCc2ccncc2 62a_100000045569_100000723409 [0,1,0,0,0,1|2,0,0]=4 9629 B17R2.3956 Nc1ncccc1SCCc2ccncc2 62a_100000723409_100000045569 [0,1,0,0,0,1|2,0,0]=4 9630 B17R2.3956 Nc1ncccc1SCSc2ccccc2 62a_100000045569_100011218342 [0,1,0,0,0,1|1,0,0]=3 9631 B17R2.3956 Nc1ncccc1SCSc2ccccc2 62a_100011218342_100000045569 [0,1,0,0,0,1|1,0,0]=3 9632 B17R2.3956 Nc1nccnc1SCCc2ccccc2 62a_100000747729_100011218657 [0,1,0,0,0,1|2,0,0]=4 9633 B17R2.3956 Nc1nccnc1SCCc2ccccc2 62a_100000765856_100000747729 [0,1,0,0,0,1|2,0,0]=4 9634 B17R2.3956 Nc1nccnc1SCSc2ccccc2 62a_100000747729_100011218342 [0,1,0,0,0,1|2,0,0]=4 9635 B17R2.3956 Nc1nccnc1SCSc2ccccc2 62a_100011218342_100000747729 [0,1,0,0,0,1|2,0,0]=4 9636 B17R2.3956 Nc1ncncc1OCCc2ccccc2 7a_100000112926_100000765856 [0,1,0,0,0,1|2,0,0]=4 9637 B17R2.3956 Nc1ncncc1SCCc2ccccc2 62a_100000765856_100011996079 [0,1,0,0,0,1|2,0,0]=4 9638 B17R2.3956 Nc1ncncc1SCCc2ccccc2 62a_100011996079_100011218657 [0,1,0,0,0,1|2,0,0]=4 9639 B17R2.3956 Nc1ncncc1SCSc2ccccc2 62a_100011218342_100011996079 [0,1,0,0,0,1|2,0,0]=4 9640 B17R2.3956 Nc1ncncc1SCSc2ccccc2 62a_100011996079_100011218342 [0,1,0,0,0,1|2,0,0]=4 9641 B17R2.3956 O=c1[nH]nccc1NCCc2cccnc2 27a_100000736294_100000087129 [0,1,0,0,0,1|2,0,0]=4 9642 B17R2.3956 O=c1cc[nH]cc1C=NNc2ccccc2 4a_100015195140_100012001694 [0,1,0,0,0,1|0,0,2]=4 9643 B17R2.3956 O=c1cc[nH]cc1SCCc2ccccc2 62a_100000765856_100009998708 [0,1,0,0,0,1|1,0,1]=4 9644 B17R2.3956 O=c1cc[nH]cc1SCCc2ccccc2 62a_100009998708_100011218657 [0,1,0,0,0,1|1,0,1]=4 9645 B17R2.3956 O=c1cc[nH]cc1SCCc2cccnc2 62a_100009998708_200011713674 [0,1,0,0,0,1|2,0,0]=4 9646 B17R2.3956 O=c1cc[nH]cc1SCCc2cccnc2 62a_200011713674_100009998708 [0,1,0,0,0,1|2,0,0]=4 9647 B17R2.3956 O=c1cc[nH]cc1SCSc2ccccc2 62a_100009998708_100011218342 [0,1,0,0,0,1|1,0,1]=4 9648 B17R2.3956 O=c1cc[nH]cc1SCSc2ccccc2 62a_100011218342_100009998708 [0,1,0,0,0,1|1,0,1]=4 9649 B17R2.3956 O=c1ccocc1OCCc2ccccc2 34a_100000060831_100000765856 [0,1,0,0,0,1|2,0,0]=4 9650 B17R2.3956 O=c1occcc1OCCc2ccccc2 34a_100000077404_100000765856 [0,1,0,0,0,1|2,0,0]=4 9651 B17R2.3956 O=c1occcc1OCCc2ccccc2 7a_100000077404_100000765856 [0,1,0,0,0,1|2,0,0]=4 9652 B17R2.3956 O=c1occcc1OCCc2cccnc2 7a_100000077404_200011713674 [0,1,0,0,0,1|2,0,0]=4 9653 B17R2.3956 Oc1ccccc1C=CCc2ccccc2 271570a_200016263579_100000739446 [0,1,0,0,0,1|2,0,0]=4 9654 B17R2.3956 Oc1ccccc1C=NNc2ccccc2 4a_100015195140_100000185834 [0,1,0,0,0,1|1,0,1]=4 9655 B17R2.3956 Oc1ccccc1C=NNc2cccnc2 4a_100000728903_100000185834 [0,1,0,0,0,1|1,0,1]=4 9656 B17R2.3956 Oc1ccccc1CCNc2ccccc2 34a_100000106764_100000722297 [0,1,0,0,0,1|1,0,0]=3 9657 B17R2.3956 Oc1ccccc1CCNc2cccnn2 27a_100011207237_100016991348 [0,1,0,0,0,1|2,0,0]=4 9658 B17R2.3956 Oc1ccccc1CCNc2cnccn2 27a_100011207237_100000211759 [0,1,0,0,0,1|2,0,0]=4 9659 B17R2.3956 Oc1ccccc1CCOc2ccccc2 34a_100000210340_100000722297 [0,1,0,0,0,1|2,0,0]=4 9660 B17R2.3956 Oc1ccccc1CCOc2ccccc2 7a_100000210340_100000722297 [0,1,0,0,0,1|2,0,0]=4 9661 B17R2.3956 Oc1ccccc1CCOc2cccnc2 34a_100000210849_100000722297 [0,1,0,0,0,1|1,0,0]=3 9662 B17R2.3956 Oc1ccccc1CCOc2cccnc2 7a_100000210849_100000722297 [0,1,0,0,0,1|1,0,0]=3 9663 B17R2.3956 Oc1ccccc1CCOc2ccnnc2 34a_100015204005_100000722297 [0,1,0,0,0,1|2,0,0]=4 9664 B17R2.3956 Oc1ccccc1CCOc2cncnc2 7a_100000754086_100000722297 [0,1,0,0,0,1|2,0,0]=4 9665 B17R2.3956 Oc1ccccc1CCSc2ccccc2 62a_100000719477_100000722297 [0,1,0,0,0,1|2,0,0]=4 9666 B17R2.3956 Oc1ccccc1CCSc2ccccc2 62a_100000722297_100000041952 [0,1,0,0,0,1|2,0,0]=4 9667 B17R2.3956 Oc1ccccc1CCSc2cccnc2 62a_100000210063_100000722297 [0,1,0,0,0,1|1,0,0]=3 9668 B17R2.3956 Oc1ccccc1CCSc2cccnc2 62a_100000722297_100000210063 [0,1,0,0,0,1|1,0,0]=3 9669 B17R2.3956 Oc1ccccc1CCSc2cccnn2 62a_100000722297_100016991348 [0,1,0,0,0,1|2,0,0]=4 9670 B17R2.3956 Oc1ccccc1CCSc2cccnn2 62a_100016991348_100000722297 [0,1,0,0,0,1|2,0,0]=4 9671 B17R2.3956 Oc1ccccc1CCSc2ccnnc2 62a_100000722297_100000732662 [0,1,0,0,0,1|2,0,0]=4 9672 B17R2.3956 Oc1ccccc1CCSc2ccnnc2 62a_100000732662_100000722297 [0,1,0,0,0,1|2,0,0]=4 9673 B17R2.3956 Oc1ccccc1CCSc2cnccn2 62a_100000211759_100000722297 [0,1,0,0,0,1|2,0,0]=4 9674 B17R2.3956 Oc1ccccc1CCSc2cnccn2 62a_100000722297_100000211759 [0,1,0,0,0,1|2,0,0]=4 9675 B17R2.3956 Oc1ccccc1CCSc2cncnc2 62a_100000722297_100011206942 [0,1,0,0,0,1|2,0,0]=4 9676 B17R2.3956 Oc1ccccc1CCSc2cncnc2 62a_100011206942_100000722297 [0,1,0,0,0,1|2,0,0]=4 9677 B17R2.3956 Oc1ccccc1CNCc2ccccc2 207a_100000185550_100015611070 [0,1,0,0,0,1|1,0,0]=3 9678 B17R2.3956 Oc1ccccc1CNCc2ccccc2 270004a_100000185550_100015611070 [0,1,0,0,0,1|1,0,0]=3 9679 B17R2.3956 Oc1ccccc1CNCc2ccccc2 271570a_203496583355_200000195884 [0,1,0,0,0,1|1,0,0]=3 9680 B17R2.3956 Oc1ccccc1CNCc2ccccc2 34a_100000185550_100015291786 [0,1,0,0,0,1|1,0,0]=3 9681 B17R2.3956 Oc1ccccc1CNCc2ccccn2 207a_100000185550_100000209966 [0,1,0,0,0,1|2,0,0]=4 9682 B17R2.3956 Oc1ccccc1CNCc2ccccn2 270004a_100000185550_100000209966 [0,1,0,0,0,1|2,0,0]=4 9683 B17R2.3956 Oc1ccccc1CNCc2ccccn2 34a_100000185550_100000721315 [0,1,0,0,0,1|2,0,0]=4 9684 B17R2.3956 Oc1ccccc1CNCc2cccnc2 207a_100000185550_100000209961 [0,1,0,0,0,1|0,0,0]=2 9685 B17R2.3956 Oc1ccccc1CNCc2cccnc2 270004a_100000185550_100000209961 [0,1,0,0,0,1|0,0,0]=2 9686 B17R2.3956 Oc1ccccc1CNCc2cccnc2 34a_100000185550_100000733263 [0,1,0,0,0,1|0,0,0]=2 9687 B17R2.3956 Oc1ccccc1CNCc2cccnn2 34a_100000185550_100016990269 [0,1,0,0,0,1|1,0,0]=3 9688 B17R2.3956 Oc1ccccc1CNCc2ccncc2 207a_100000185550_100000186114 [0,1,0,0,0,1|2,0,0]=4 9689 B17R2.3956 Oc1ccccc1CNCc2ccnnc2 270004a_100000185550_100011934578 [0,1,0,0,0,1|1,0,0]=3 9690 B17R2.3956 Oc1ccccc1CNCc2cnccn2 270004a_100000185550_100000749867 [0,1,0,0,0,1|1,0,0]=3 9691 B17R2.3956 Oc1ccccc1CNCc2cnccn2 34a_100000185550_100016995436 [0,1,0,0,0,1|1,0,0]=3 9692 B17R2.3956 Oc1ccccc1CNCc2cncnc2 270004a_100000185550_100000749868 [0,1,0,0,0,1|1,0,0]=3 9693 B17R2.3956 Oc1ccccc1CNCc2cncnc2 34a_100000185550_100015196519 [0,1,0,0,0,1|1,0,0]=3 9694 B17R2.3956 Oc1ccccc1NCCc2ccccc2 34a_100000185747_100000765856 [0,1,0,0,0,1|1,0,0]=3 9695 B17R2.3956 Oc1ccccc1SCCc2ccccc2 62a_100000739446_100011218657 [0,1,0,0,0,1|2,0,0]=4 9696 B17R2.3956 Oc1ccccc1SCCc2ccccc2 62a_100000765856_100000739446 [0,1,0,0,0,1|2,0,0]=4 9697 B17R2.3956 Oc1ccccc1SCCc2cccnc2 62a_100000739446_200011713674 [0,1,0,0,0,1|1,0,0]=3 9698 B17R2.3956 Oc1ccccc1SCCc2cccnc2 62a_200011713674_100000739446 [0,1,0,0,0,1|1,0,0]=3 9699 B17R2.3956 Oc1ccccc1SCSc2ccccc2 62a_100000739446_100011218342 [0,1,0,0,0,1|2,0,0]=4 9700 B17R2.3956 Oc1ccccc1SCSc2ccccc2 62a_100011218342_100000739446 [0,1,0,0,0,1|2,0,0]=4 9701 B17R2.3956 Oc1cccnc1CNCc2ccccc2 34a_100015324214_200020655725 [0,1,0,0,0,1|2,0,0]=4 9702 B17R2.3956 Oc1cccnc1CSCc2cccnc2 62a_100000741622_200020655725 [0,1,0,0,0,1|2,0,0]=4 9703 B17R2.3956 Oc1cccnc1CSCc2cccnc2 62a_200020655725_100000741622 [0,1,0,0,0,1|2,0,0]=4 9704 B17R2.3956 Oc1cccnc1SCCc2cccnc2 62a_100000034122_200011713674 [0,1,0,0,0,1|2,0,0]=4 9705 B17R2.3956 Oc1cccnc1SCCc2cccnc2 62a_200011713674_100000034122 [0,1,0,0,0,1|2,0,0]=4 9706 B17R2.3956 Oc1cnccc1SCCc2cccnc2 62a_100009817591_200011713674 [0,1,0,0,0,1|2,0,0]=4 9707 B17R2.3956 Oc1cnccc1SCCc2cccnc2 62a_200011713674_100009817591 [0,1,0,0,0,1|2,0,0]=4 9708 B17R2.3956 Oc1ncccc1C=NNc2ccccc2 4a_100015195140_100011998315 [0,1,0,0,0,1|0,0,1]=3 9709 B17R2.3956 Oc1ncccc1C=NNc2ccccn2 4a_100000183288_100011998315 [0,1,0,0,0,1|1,0,1]=4 9710 B17R2.3956 Oc1ncccc1C=NNc2cccnc2 4a_100000728903_100011998315 [0,1,0,0,0,1|1,0,1]=4 9711 B17R2.3956 Oc1ncccc1C=NNc2ccncc2 4a_100000698918_100011998315 [0,1,0,0,0,1|1,0,1]=4 9712 B17R2.3956 Oc1ncccc1CNCc2ccccc2 207a_100015324214_100011998315 [0,1,0,0,0,1|0,0,0]=2 9713 B17R2.3956 Oc1ncccc1CNCc2ccccc2 270004a_100015324214_100011998315 [0,1,0,0,0,1|0,0,0]=2 9714 B17R2.3956 Oc1ncccc1CNCc2ccccn2 270004a_100000210449_100011998315 [0,1,0,0,0,1|1,0,0]=3 9715 B17R2.3956 Oc1ncccc1CNCc2cccnc2 207a_100000210453_100011998315 [0,1,0,0,0,1|1,0,0]=3 9716 B17R2.3956 Oc1ncccc1CNCc2cccnc2 270004a_100000210453_100011998315 [0,1,0,0,0,1|1,0,0]=3 9717 B17R2.3956 Oc1ncccc1CNCc2cncnc2 207a_100011243677_100011998315 [0,1,0,0,0,1|2,0,0]=4 9718 B17R2.3956 Oc1ncccc1CNCc2cncnc2 270004a_100011243677_100011998315 [0,1,0,0,0,1|2,0,0]=4 9719 B17R2.3956 Oc1ncccc1SCCc2ccccc2 62a_100000760158_100011218657 [0,1,0,0,0,1|1,0,0]=3 9720 B17R2.3956 Oc1ncccc1SCCc2ccccc2 62a_100000765856_100000760158 [0,1,0,0,0,1|1,0,0]=3 9721 B17R2.3956 Oc1ncccc1SCCc2ccccn2 62a_100000760158_100015183660 [0,1,0,0,0,1|2,0,0]=4 9722 B17R2.3956 Oc1ncccc1SCCc2ccccn2 62a_100015183660_100000760158 [0,1,0,0,0,1|2,0,0]=4 9723 B17R2.3956 Oc1ncccc1SCCc2cccnc2 62a_100000760158_200011713674 [0,1,0,0,0,1|2,0,0]=4 9724 B17R2.3956 Oc1ncccc1SCCc2cccnc2 62a_200011713674_100000760158 [0,1,0,0,0,1|2,0,0]=4 9725 B17R2.3956 Oc1ncccc1SCCc2ccncc2 62a_100000723409_100000760158 [0,1,0,0,0,1|2,0,0]=4 9726 B17R2.3956 Oc1ncccc1SCCc2ccncc2 62a_100000760158_100000723409 [0,1,0,0,0,1|2,0,0]=4 9727 B17R2.3956 Oc1ncccc1SCSc2ccccc2 62a_100000760158_100011218342 [0,1,0,0,0,1|1,0,0]=3 9728 B17R2.3956 Oc1ncccc1SCSc2ccccc2 62a_100011218342_100000760158 [0,1,0,0,0,1|1,0,0]=3 9729 B17R2.3956 Oc1ncncc1SCCc2ccccc2 62a_100000751107_100011218657 [0,1,0,0,0,1|2,0,0]=4 9730 B17R2.3956 Oc1ncncc1SCCc2ccccc2 62a_100000765856_100000751107 [0,1,0,0,0,1|2,0,0]=4 9731 B17R2.3956 Oc1ncncc1SCSc2ccccc2 62a_100000751107_100011218342 [0,1,0,0,0,1|2,0,0]=4 9732 B17R2.3956 Oc1ncncc1SCSc2ccccc2 62a_100011218342_100000751107 [0,1,0,0,0,1|2,0,0]=4 9733 B17R2.3956 S=c1cc[nH]cc1SCCc2ccccc2 62a_100000765856_200012280681 [0,1,0,0,0,1|1,0,1]=4 9734 B17R2.3956 S=c1cc[nH]cc1SCCc2ccccc2 62a_200012280681_100011218657 [0,1,0,0,0,1|1,0,1]=4 9735 B17R2.3956 S=c1cc[nH]cc1SCCc2cccnc2 62a_200011713674_200012280681 [0,1,0,0,0,1|2,0,0]=4 9736 B17R2.3956 S=c1cc[nH]cc1SCCc2cccnc2 62a_200012280681_200011713674 [0,1,0,0,0,1|2,0,0]=4 9737 B17R2.3956 S=c1cc[nH]cc1SCSc2ccccc2 62a_100011218342_200012280681 [0,1,0,0,0,1|1,0,1]=4 9738 B17R2.3956 S=c1cc[nH]cc1SCSc2ccccc2 62a_200012280681_100011218342 [0,1,0,0,0,1|1,0,1]=4 9739 B17R2.3956 [O-][n+]1ccccc1OCCc2cccnc2 7a_100000211761_200011713674 [0,1,0,0,0,1|2,0,0]=4 9740 B17R2.3956 [O-][n+]1ccccc1SCCc2cccnc2 62a_200011713674_200000042595 [0,1,0,0,0,1|2,0,0]=4 9741 B17R2.5301 Brc1cc(ccn1)CNCc2ccccc2 2230a_100015324214_100010243470 [0,1,0,0,0,1|2,0,0]=4 9742 B17R2.5301 Brc1cc(ccn1)CNCc2ccccc2 2230a_100025757509_100015291786 [0,1,0,0,0,1|2,0,0]=4 9743 B17R2.5301 Brc1cc(ccn1)CNCc2ccccc2 270004a_100015324214_100009814634 [0,1,0,0,0,1|2,0,0]=4 9744 B17R2.5301 Brc1cc(ccn1)CNCc2ccccc2 270004a_100025757509_100015611070 [0,1,0,0,0,1|2,0,0]=4 9745 B17R2.5301 Brc1cc(ccn1)CNCc2ccccc2 34a_100015324214_100010243470 [0,1,0,0,0,1|2,0,0]=4 9746 B17R2.5301 Brc1cc(ccn1)CNCc2ccccc2 34a_100025757509_100015291786 [0,1,0,0,0,1|2,0,0]=4 9747 B17R2.5301 Brc1cc(ccn1)CNCc2cccnc2 2230a_100025757509_100000741622 [0,1,0,0,0,1|1,0,0]=3 9748 B17R2.5301 Brc1cc(ccn1)CNCc2cccnc2 270004a_100000210453_100009814634 [0,1,0,0,0,1|1,0,0]=3 9749 B17R2.5301 Brc1cc(ccn1)CNCc2cccnc2 270004a_100025757509_100000209961 [0,1,0,0,0,1|1,0,0]=3 9750 B17R2.5301 Brc1cc(ccn1)CNCc2cccnc2 34a_100025757509_100000733263 [0,1,0,0,0,1|1,0,0]=3 9751 B17R2.5301 Brc1cc(ccn1)CNCc2cccnn2 2230a_100025757509_100016990269 [0,1,0,0,0,1|2,0,0]=4 9752 B17R2.5301 Brc1cc(ccn1)CNCc2cccnn2 2230a_100159270163_100010243470 [0,1,0,0,0,1|2,0,0]=4 9753 B17R2.5301 Brc1cc(ccn1)CNCc2cccnn2 34a_100025757509_100016990269 [0,1,0,0,0,1|2,0,0]=4 9754 B17R2.5301 Brc1cc(ccn1)CNCc2ccnnc2 270004a_100025757509_100011934578 [0,1,0,0,0,1|2,0,0]=4 9755 B17R2.5301 Brc1cc(ccn1)CNCc2cnccn2 2230a_100025757509_100016995436 [0,1,0,0,0,1|2,0,0]=4 9756 B17R2.5301 Brc1cc(ccn1)CNCc2cnccn2 270004a_100025757509_100000749867 [0,1,0,0,0,1|2,0,0]=4 9757 B17R2.5301 Brc1cc(ccn1)CNCc2cnccn2 34a_100025757509_100016995436 [0,1,0,0,0,1|2,0,0]=4 9758 B17R2.5301 Brc1cc(ccn1)CNCc2cncnc2 2230a_100011243677_100010243470 [0,1,0,0,0,1|2,0,0]=4 9759 B17R2.5301 Brc1cc(ccn1)CNCc2cncnc2 2230a_100025757509_100015196519 [0,1,0,0,0,1|2,0,0]=4 9760 B17R2.5301 Brc1cc(ccn1)CNCc2cncnc2 270004a_100011243677_100009814634 [0,1,0,0,0,1|2,0,0]=4 9761 B17R2.5301 Brc1cc(ccn1)CNCc2cncnc2 270004a_100025757509_100000749868 [0,1,0,0,0,1|2,0,0]=4 9762 B17R2.5301 Brc1cc(ccn1)CNCc2cncnc2 34a_100025757509_100015196519 [0,1,0,0,0,1|2,0,0]=4 9763 B17R2.5301 Brc1cc(ccn1)COCc2cccnc2 34a_100009814636_100000733263 [0,1,0,0,0,1|2,0,0]=4 9764 B17R2.5301 Brc1cc(ccn1)COCc2cccnc2 7a_100009814636_100000741622 [0,1,0,0,0,1|2,0,0]=4 9765 B17R2.5301 Brc1cc(ccn1)CSCc2cccnc2 62a_100000741622_100010243470 [0,1,0,0,0,1|2,0,0]=4 9766 B17R2.5301 Brc1cc(ccn1)CSCc2cccnc2 62a_100010254460_100000741622 [0,1,0,0,0,1|2,0,0]=4 9767 B17R2.5301 Brc1cc(ccn1)SCCc2cccnc2 62a_100009814637_200011713674 [0,1,0,0,0,1|2,0,0]=4 9768 B17R2.5301 Brc1cc(ccn1)SCCc2cccnc2 62a_200011713674_100009814637 [0,1,0,0,0,1|2,0,0]=4 9769 B17R2.5301 Brc1cccc(c1)C=CCc2ccccc2 271570a_200016263579_100000691529 [0,1,0,0,0,1|2,0,0]=4 9770 B17R2.5301 Brc1cccc(c1)C=NNc2ccccc2 4a_100015195140_100000210085 [0,1,0,0,0,1|1,0,1]=4 9771 B17R2.5301 Brc1cccc(c1)C=NNc2cccnc2 4a_100000728903_100000210085 [0,1,0,0,0,1|1,0,1]=4 9772 B17R2.5301 Brc1cccc(c1)CCNc2ccccc2 34a_100000106764_100011740638 [0,1,0,0,0,1|1,0,0]=3 9773 B17R2.5301 Brc1cccc(c1)CCNc2cccnn2 27a_100011207229_100016991348 [0,1,0,0,0,1|2,0,0]=4 9774 B17R2.5301 Brc1cccc(c1)CCNc2cnccn2 27a_100011207229_100000211759 [0,1,0,0,0,1|2,0,0]=4 9775 B17R2.5301 Brc1cccc(c1)CCOc2ccccc2 34a_100000210340_100011740638 [0,1,0,0,0,1|2,0,0]=4 9776 B17R2.5301 Brc1cccc(c1)CCOc2ccccc2 7a_100000210340_100011740638 [0,1,0,0,0,1|2,0,0]=4 9777 B17R2.5301 Brc1cccc(c1)CCOc2cccnc2 34a_100000210849_100011740638 [0,1,0,0,0,1|1,0,0]=3 9778 B17R2.5301 Brc1cccc(c1)CCOc2cccnc2 7a_100000210849_100011740638 [0,1,0,0,0,1|1,0,0]=3 9779 B17R2.5301 Brc1cccc(c1)CCOc2ccnnc2 34a_100015204005_100011740638 [0,1,0,0,0,1|2,0,0]=4 9780 B17R2.5301 Brc1cccc(c1)CCOc2cncnc2 7a_100000754086_100011740638 [0,1,0,0,0,1|2,0,0]=4 9781 B17R2.5301 Brc1cccc(c1)CCSc2ccccc2 62a_100000719477_100011740638 [0,1,0,0,0,1|2,0,0]=4 9782 B17R2.5301 Brc1cccc(c1)CCSc2ccccc2 62a_100011740638_100000041952 [0,1,0,0,0,1|2,0,0]=4 9783 B17R2.5301 Brc1cccc(c1)CCSc2cccnc2 62a_100000210063_100011740638 [0,1,0,0,0,1|1,0,0]=3 9784 B17R2.5301 Brc1cccc(c1)CCSc2cccnc2 62a_100011740638_100000210063 [0,1,0,0,0,1|1,0,0]=3 9785 B17R2.5301 Brc1cccc(c1)CCSc2cccnn2 62a_100011740638_100016991348 [0,1,0,0,0,1|2,0,0]=4 9786 B17R2.5301 Brc1cccc(c1)CCSc2cccnn2 62a_100016991348_100011740638 [0,1,0,0,0,1|2,0,0]=4 9787 B17R2.5301 Brc1cccc(c1)CCSc2ccnnc2 62a_100000732662_100011740638 [0,1,0,0,0,1|2,0,0]=4 9788 B17R2.5301 Brc1cccc(c1)CCSc2ccnnc2 62a_100011740638_100000732662 [0,1,0,0,0,1|2,0,0]=4 9789 B17R2.5301 Brc1cccc(c1)CCSc2cnccn2 62a_100000211759_100011740638 [0,1,0,0,0,1|2,0,0]=4 9790 B17R2.5301 Brc1cccc(c1)CCSc2cnccn2 62a_100011740638_100000211759 [0,1,0,0,0,1|2,0,0]=4 9791 B17R2.5301 Brc1cccc(c1)CCSc2cncnc2 62a_100011206942_100011740638 [0,1,0,0,0,1|2,0,0]=4 9792 B17R2.5301 Brc1cccc(c1)CCSc2cncnc2 62a_100011740638_100011206942 [0,1,0,0,0,1|2,0,0]=4 9793 B17R2.5301 Brc1cccc(c1)CNCc2ccccc2 207a_100000174977_100015611070 [0,1,0,0,0,1|1,0,0]=3 9794 B17R2.5301 Brc1cccc(c1)CNCc2ccccc2 207a_100015324214_100000210085 [0,1,0,0,0,1|1,0,0]=3 9795 B17R2.5301 Brc1cccc(c1)CNCc2ccccc2 2230a_100000174977_100015291786 [0,1,0,0,0,1|1,0,0]=3 9796 B17R2.5301 Brc1cccc(c1)CNCc2ccccc2 2230a_100015324214_100000698116 [0,1,0,0,0,1|1,0,0]=3 9797 B17R2.5301 Brc1cccc(c1)CNCc2ccccc2 270004a_100000174977_100015611070 [0,1,0,0,0,1|1,0,0]=3 9798 B17R2.5301 Brc1cccc(c1)CNCc2ccccc2 270004a_100015324214_100000210085 [0,1,0,0,0,1|1,0,0]=3 9799 B17R2.5301 Brc1cccc(c1)CNCc2ccccc2 34a_100000174977_100015291786 [0,1,0,0,0,1|1,0,0]=3 9800 B17R2.5301 Brc1cccc(c1)CNCc2ccccc2 34a_100015324214_100000698116 [0,1,0,0,0,1|1,0,0]=3 9801 B17R2.5301 Brc1cccc(c1)CNCc2ccccn2 207a_100000174977_100000209966 [0,1,0,0,0,1|2,0,0]=4 9802 B17R2.5301 Brc1cccc(c1)CNCc2ccccn2 2230a_100000174977_100000721315 [0,1,0,0,0,1|2,0,0]=4 9803 B17R2.5301 Brc1cccc(c1)CNCc2ccccn2 270004a_100000174977_100000209966 [0,1,0,0,0,1|2,0,0]=4 9804 B17R2.5301 Brc1cccc(c1)CNCc2ccccn2 270004a_100000210449_100000210085 [0,1,0,0,0,1|2,0,0]=4 9805 B17R2.5301 Brc1cccc(c1)CNCc2ccccn2 34a_100000174977_100000721315 [0,1,0,0,0,1|2,0,0]=4 9806 B17R2.5301 Brc1cccc(c1)CNCc2cccnc2 207a_100000174977_100000209961 [0,1,0,0,0,1|0,0,0]=2 9807 B17R2.5301 Brc1cccc(c1)CNCc2cccnc2 207a_100000210453_100000210085 [0,1,0,0,0,1|0,0,0]=2 9808 B17R2.5301 Brc1cccc(c1)CNCc2cccnc2 2230a_100000174977_100000741622 [0,1,0,0,0,1|0,0,0]=2 9809 B17R2.5301 Brc1cccc(c1)CNCc2cccnc2 270004a_100000174977_100000209961 [0,1,0,0,0,1|0,0,0]=2 9810 B17R2.5301 Brc1cccc(c1)CNCc2cccnc2 270004a_100000210453_100000210085 [0,1,0,0,0,1|0,0,0]=2 9811 B17R2.5301 Brc1cccc(c1)CNCc2cccnc2 34a_100000174977_100000733263 [0,1,0,0,0,1|0,0,0]=2 9812 B17R2.5301 Brc1cccc(c1)CNCc2cccnn2 2230a_100000174977_100016990269 [0,1,0,0,0,1|1,0,0]=3 9813 B17R2.5301 Brc1cccc(c1)CNCc2cccnn2 2230a_100159270163_100000698116 [0,1,0,0,0,1|1,0,0]=3 9814 B17R2.5301 Brc1cccc(c1)CNCc2cccnn2 34a_100000174977_100016990269 [0,1,0,0,0,1|1,0,0]=3 9815 B17R2.5301 Brc1cccc(c1)CNCc2ccncc2 207a_100000174977_100000186114 [0,1,0,0,0,1|2,0,0]=4 9816 B17R2.5301 Brc1cccc(c1)CNCc2ccncc2 2230a_100000174977_100015193705 [0,1,0,0,0,1|2,0,0]=4 9817 B17R2.5301 Brc1cccc(c1)CNCc2ccnnc2 270004a_100000174977_100011934578 [0,1,0,0,0,1|1,0,0]=3 9818 B17R2.5301 Brc1cccc(c1)CNCc2cnccn2 2230a_100000174977_100016995436 [0,1,0,0,0,1|1,0,0]=3 9819 B17R2.5301 Brc1cccc(c1)CNCc2cnccn2 270004a_100000174977_100000749867 [0,1,0,0,0,1|1,0,0]=3 9820 B17R2.5301 Brc1cccc(c1)CNCc2cnccn2 34a_100000174977_100016995436 [0,1,0,0,0,1|1,0,0]=3 9821 B17R2.5301 Brc1cccc(c1)CNCc2cncnc2 207a_100011243677_100000210085 [0,1,0,0,0,1|1,0,0]=3 9822 B17R2.5301 Brc1cccc(c1)CNCc2cncnc2 2230a_100000174977_100015196519 [0,1,0,0,0,1|1,0,0]=3 9823 B17R2.5301 Brc1cccc(c1)CNCc2cncnc2 2230a_100011243677_100000698116 [0,1,0,0,0,1|1,0,0]=3 9824 B17R2.5301 Brc1cccc(c1)CNCc2cncnc2 270004a_100000174977_100000749868 [0,1,0,0,0,1|1,0,0]=3 9825 B17R2.5301 Brc1cccc(c1)CNCc2cncnc2 270004a_100011243677_100000210085 [0,1,0,0,0,1|1,0,0]=3 9826 B17R2.5301 Brc1cccc(c1)CNCc2cncnc2 34a_100000174977_100015196519 [0,1,0,0,0,1|1,0,0]=3 9827 B17R2.5301 Brc1cccc(c1)COCc2ccccc2 34a_100000210790_100000698116 [0,1,0,0,0,1|2,0,0]=4 9828 B17R2.5301 Brc1cccc(c1)COCc2ccccc2 34a_100000687537_100015291786 [0,1,0,0,0,1|2,0,0]=4 9829 B17R2.5301 Brc1cccc(c1)COCc2ccccc2 7a_100000210790_100000211773 [0,1,0,0,0,1|2,0,0]=4 9830 B17R2.5301 Brc1cccc(c1)COCc2ccccc2 7a_100000687537_100000211182 [0,1,0,0,0,1|2,0,0]=4 9831 B17R2.5301 Brc1cccc(c1)COCc2cccnc2 34a_100000687537_100000733263 [0,1,0,0,0,1|1,0,0]=3 9832 B17R2.5301 Brc1cccc(c1)COCc2cccnc2 7a_100000687537_100000741622 [0,1,0,0,0,1|1,0,0]=3 9833 B17R2.5301 Brc1cccc(c1)COCc2cccnn2 34a_100000687537_100016990269 [0,1,0,0,0,1|2,0,0]=4 9834 B17R2.5301 Brc1cccc(c1)COCc2cccnn2 7a_100000687537_100016990269 [0,1,0,0,0,1|2,0,0]=4 9835 B17R2.5301 Brc1cccc(c1)COCc2cnccn2 34a_100000687537_100016995436 [0,1,0,0,0,1|2,0,0]=4 9836 B17R2.5301 Brc1cccc(c1)COCc2cnccn2 7a_100000687537_100016995436 [0,1,0,0,0,1|2,0,0]=4 9837 B17R2.5301 Brc1cccc(c1)COCc2cncnc2 34a_100000687537_100015196519 [0,1,0,0,0,1|2,0,0]=4 9838 B17R2.5301 Brc1cccc(c1)COCc2cncnc2 7a_100000687537_100015196519 [0,1,0,0,0,1|2,0,0]=4 9839 B17R2.5301 Brc1cccc(c1)CSCc2ccccc2 62a_100000211182_100000211773 [0,1,0,0,0,1|2,0,0]=4 9840 B17R2.5301 Brc1cccc(c1)CSCc2ccccc2 62a_100000211773_100015291786 [0,1,0,0,0,1|2,0,0]=4 9841 B17R2.5301 Brc1cccc(c1)CSCc2cccnc2 62a_100000211773_100000741622 [0,1,0,0,0,1|1,0,0]=3 9842 B17R2.5301 Brc1cccc(c1)CSCc2cccnc2 62a_100000741622_100000211773 [0,1,0,0,0,1|1,0,0]=3 9843 B17R2.5301 Brc1cccc(c1)CSCc2cccnn2 62a_100000211773_100016990269 [0,1,0,0,0,1|2,0,0]=4 9844 B17R2.5301 Brc1cccc(c1)CSCc2cccnn2 62a_100016990269_100000211773 [0,1,0,0,0,1|2,0,0]=4 9845 B17R2.5301 Brc1cccc(c1)CSCc2cnccn2 62a_100000211773_100016995436 [0,1,0,0,0,1|2,0,0]=4 9846 B17R2.5301 Brc1cccc(c1)CSCc2cnccn2 62a_100016995436_100000211773 [0,1,0,0,0,1|2,0,0]=4 9847 B17R2.5301 Brc1cccc(c1)CSCc2cncnc2 62a_100000211773_100015196519 [0,1,0,0,0,1|2,0,0]=4 9848 B17R2.5301 Brc1cccc(c1)CSCc2cncnc2 62a_100015196519_100000211773 [0,1,0,0,0,1|2,0,0]=4 9849 B17R2.5301 Brc1cccc(c1)NCCc2ccccc2 34a_100000210019_100000765856 [0,1,0,0,0,1|1,0,0]=3 9850 B17R2.5301 Brc1cccc(c1)NN=Cc2ccccc2 4a_100000217339_100015611070 [0,1,0,0,0,1|1,0,1]=4 9851 B17R2.5301 Brc1cccc(c1)NN=Cc2cccnc2 4a_100000217339_100000209961 [0,1,0,0,0,1|0,0,1]=3 9852 B17R2.5301 Brc1cccc(c1)NN=Cc2ccnnc2 4a_100000217339_100011934578 [0,1,0,0,0,1|1,0,1]=4 9853 B17R2.5301 Brc1cccc(c1)NN=Cc2cnccn2 4a_100000217339_100000749867 [0,1,0,0,0,1|1,0,1]=4 9854 B17R2.5301 Brc1cccc(c1)NN=Cc2cncnc2 4a_100000217339_100000749868 [0,1,0,0,0,1|1,0,1]=4 9855 B17R2.5301 Brc1cccc(c1)OCCc2ccccc2 34a_100000210342_100000765856 [0,1,0,0,0,1|2,0,0]=4 9856 B17R2.5301 Brc1cccc(c1)OCCc2ccccc2 7a_100000210342_100000765856 [0,1,0,0,0,1|2,0,0]=4 9857 B17R2.5301 Brc1cccc(c1)OCCc2cccnc2 7a_100000210342_200011713674 [0,1,0,0,0,1|1,0,0]=3 9858 B17R2.5301 Brc1cccc(c1)SCCc2ccccc2 62a_100000691529_100011218657 [0,1,0,0,0,1|2,0,0]=4 9859 B17R2.5301 Brc1cccc(c1)SCCc2ccccc2 62a_100000765856_100000691529 [0,1,0,0,0,1|2,0,0]=4 9860 B17R2.5301 Brc1cccc(c1)SCCc2cccnc2 62a_100000691529_200011713674 [0,1,0,0,0,1|1,0,0]=3 9861 B17R2.5301 Brc1cccc(c1)SCCc2cccnc2 62a_200011713674_100000691529 [0,1,0,0,0,1|1,0,0]=3 9862 B17R2.5301 Brc1cccc(c1)SCSc2ccccc2 62a_100000691529_100011218342 [0,1,0,0,0,1|2,0,0]=4 9863 B17R2.5301 Brc1cccc(c1)SCSc2ccccc2 62a_100011218342_100000691529 [0,1,0,0,0,1|2,0,0]=4 9864 B17R2.5301 Brc1cccc(n1)CNCc2ccccc2 2230a_100015324214_100009889011 [0,1,0,0,0,1|2,0,0]=4 9865 B17R2.5301 Brc1cccc(n1)CNCc2ccccc2 2230a_100016987751_100015291786 [0,1,0,0,0,1|2,0,0]=4 9866 B17R2.5301 Brc1cccc(n1)CNCc2ccccc2 270004a_100015324214_100000688028 [0,1,0,0,0,1|2,0,0]=4 9867 B17R2.5301 Brc1cccc(n1)CNCc2ccccc2 34a_100015324214_100009889011 [0,1,0,0,0,1|2,0,0]=4 9868 B17R2.5301 Brc1cccc(n1)CNCc2cccnc2 2230a_100016987751_100000741622 [0,1,0,0,0,1|1,0,0]=3 9869 B17R2.5301 Brc1cccc(n1)CNCc2cccnc2 270004a_100000210453_100000688028 [0,1,0,0,0,1|1,0,0]=3 9870 B17R2.5301 Brc1cccc(n1)CNCc2cccnn2 2230a_100016987751_100016990269 [0,1,0,0,0,1|2,0,0]=4 9871 B17R2.5301 Brc1cccc(n1)CNCc2cccnn2 2230a_100159270163_100009889011 [0,1,0,0,0,1|2,0,0]=4 9872 B17R2.5301 Brc1cccc(n1)CNCc2cnccn2 2230a_100016987751_100016995436 [0,1,0,0,0,1|2,0,0]=4 9873 B17R2.5301 Brc1cccc(n1)CNCc2cncnc2 2230a_100011243677_100009889011 [0,1,0,0,0,1|2,0,0]=4 9874 B17R2.5301 Brc1cccc(n1)CNCc2cncnc2 2230a_100016987751_100015196519 [0,1,0,0,0,1|2,0,0]=4 9875 B17R2.5301 Brc1cccc(n1)CNCc2cncnc2 270004a_100011243677_100000688028 [0,1,0,0,0,1|2,0,0]=4 9876 B17R2.5301 Brc1cccc(n1)COCc2cccnc2 34a_100000694195_100000733263 [0,1,0,0,0,1|2,0,0]=4 9877 B17R2.5301 Brc1cccc(n1)CSCc2cccnc2 62a_100000741622_100009889011 [0,1,0,0,0,1|2,0,0]=4 9878 B17R2.5301 Brc1cccc(n1)CSCc2cccnc2 62a_100009889011_100000741622 [0,1,0,0,0,1|2,0,0]=4 9879 B17R2.5301 Brc1cccc(n1)NN=Cc2cccnc2 4a_100009817029_100000209961 [0,1,0,0,0,1|1,0,1]=4 9880 B17R2.5301 Brc1cccc(n1)SCCc2cccnc2 62a_100000684672_200011713674 [0,1,0,0,0,1|2,0,0]=4 9881 B17R2.5301 Brc1cccc(n1)SCCc2cccnc2 62a_200011713674_100000684672 [0,1,0,0,0,1|2,0,0]=4 9882 B17R2.5301 Brc1ccnc(c1)CNCc2ccccc2 2230a_100015324214_100010173614 [0,1,0,0,0,1|2,0,0]=4 9883 B17R2.5301 Brc1ccnc(c1)CNCc2ccccc2 270004a_100015324214_100009818557 [0,1,0,0,0,1|2,0,0]=4 9884 B17R2.5301 Brc1ccnc(c1)CNCc2ccccc2 34a_100015324214_100010173614 [0,1,0,0,0,1|2,0,0]=4 9885 B17R2.5301 Brc1ccnc(c1)CNCc2cccnc2 270004a_100000210453_100009818557 [0,1,0,0,0,1|1,0,0]=3 9886 B17R2.5301 Brc1ccnc(c1)CNCc2cccnn2 2230a_100159270163_100010173614 [0,1,0,0,0,1|2,0,0]=4 9887 B17R2.5301 Brc1ccnc(c1)CNCc2cncnc2 2230a_100011243677_100010173614 [0,1,0,0,0,1|2,0,0]=4 9888 B17R2.5301 Brc1ccnc(c1)CNCc2cncnc2 270004a_100011243677_100009818557 [0,1,0,0,0,1|2,0,0]=4 9889 B17R2.5301 Brc1ccnc(c1)CSCc2cccnc2 62a_100000741622_100010173614 [0,1,0,0,0,1|2,0,0]=4 9890 B17R2.5301 Brc1ccnc(c1)CSCc2cccnc2 62a_100010173614_100000741622 [0,1,0,0,0,1|2,0,0]=4 9891 B17R2.5301 Brc1ccnc(c1)NN=Cc2cccnc2 4a_100000764631_100000209961 [0,1,0,0,0,1|1,0,1]=4 9892 B17R2.5301 Brc1cncc(c1)C=CCc2ccccc2 271570a_200016263579_100000728054 [0,1,0,0,0,1|1,0,1]=4 9893 B17R2.5301 Brc1cncc(c1)C=NNc2ccccc2 4a_100015195140_100000687066 [0,1,0,0,0,1|0,0,1]=3 9894 B17R2.5301 Brc1cncc(c1)C=NNc2ccccn2 4a_100000183288_100000687066 [0,1,0,0,0,1|1,0,1]=4 9895 B17R2.5301 Brc1cncc(c1)C=NNc2cccnc2 4a_100000728903_100000687066 [0,1,0,0,0,1|1,0,1]=4 9896 B17R2.5301 Brc1cncc(c1)C=NNc2ccncc2 4a_100000698918_100000687066 [0,1,0,0,0,1|1,0,1]=4 9897 B17R2.5301 Brc1cncc(c1)CNCc2ccccc2 207a_100011249555_100015611070 [0,1,0,0,0,1|0,0,0]=2 9898 B17R2.5301 Brc1cncc(c1)CNCc2ccccc2 207a_100015324214_100000687066 [0,1,0,0,0,1|0,0,0]=2 9899 B17R2.5301 Brc1cncc(c1)CNCc2ccccc2 2230a_100015324214_100000738771 [0,1,0,0,0,1|0,0,0]=2 9900 B17R2.5301 Brc1cncc(c1)CNCc2ccccc2 270004a_100011249555_100015611070 [0,1,0,0,0,1|0,0,0]=2 9901 B17R2.5301 Brc1cncc(c1)CNCc2ccccc2 270004a_100015324214_100000687066 [0,1,0,0,0,1|0,0,0]=2 9902 B17R2.5301 Brc1cncc(c1)CNCc2ccccc2 34a_100015324214_100000738771 [0,1,0,0,0,1|0,0,0]=2 9903 B17R2.5301 Brc1cncc(c1)CNCc2ccccn2 207a_100011249555_100000209966 [0,1,0,0,0,1|1,0,0]=3 9904 B17R2.5301 Brc1cncc(c1)CNCc2ccccn2 270004a_100000210449_100000687066 [0,1,0,0,0,1|1,0,0]=3 9905 B17R2.5301 Brc1cncc(c1)CNCc2ccccn2 270004a_100011249555_100000209966 [0,1,0,0,0,1|1,0,0]=3 9906 B17R2.5301 Brc1cncc(c1)CNCc2cccnc2 207a_100000210453_100000687066 [0,1,0,0,0,1|1,0,0]=3 9907 B17R2.5301 Brc1cncc(c1)CNCc2cccnc2 207a_100011249555_100000209961 [0,1,0,0,0,1|1,0,0]=3 9908 B17R2.5301 Brc1cncc(c1)CNCc2cccnc2 270004a_100000210453_100000687066 [0,1,0,0,0,1|1,0,0]=3 9909 B17R2.5301 Brc1cncc(c1)CNCc2cccnc2 270004a_100011249555_100000209961 [0,1,0,0,0,1|1,0,0]=3 9910 B17R2.5301 Brc1cncc(c1)CNCc2cccnn2 2230a_100159270163_100000738771 [0,1,0,0,0,1|2,0,0]=4 9911 B17R2.5301 Brc1cncc(c1)CNCc2ccncc2 207a_100011249555_100000186114 [0,1,0,0,0,1|1,0,0]=3 9912 B17R2.5301 Brc1cncc(c1)CNCc2ccnnc2 270004a_100011249555_100011934578 [0,1,0,0,0,1|2,0,0]=4 9913 B17R2.5301 Brc1cncc(c1)CNCc2cnccn2 270004a_100011249555_100000749867 [0,1,0,0,0,1|2,0,0]=4 9914 B17R2.5301 Brc1cncc(c1)CNCc2cncnc2 207a_100011243677_100000687066 [0,1,0,0,0,1|2,0,0]=4 9915 B17R2.5301 Brc1cncc(c1)CNCc2cncnc2 2230a_100011243677_100000738771 [0,1,0,0,0,1|2,0,0]=4 9916 B17R2.5301 Brc1cncc(c1)CNCc2cncnc2 270004a_100011243677_100000687066 [0,1,0,0,0,1|2,0,0]=4 9917 B17R2.5301 Brc1cncc(c1)CNCc2cncnc2 270004a_100011249555_100000749868 [0,1,0,0,0,1|2,0,0]=4 9918 B17R2.5301 Brc1cncc(c1)CNCc2ncccn2 270004a_100011249555_100011532527 [0,1,0,0,0,1|2,0,0]=4 9919 B17R2.5301 Brc1cncc(c1)COCc2ccccc2 34a_100000210790_100000738771 [0,1,0,0,0,1|1,0,0]=3 9920 B17R2.5301 Brc1cncc(c1)COCc2ccccc2 34a_100011259137_100015291786 [0,1,0,0,0,1|1,0,0]=3 9921 B17R2.5301 Brc1cncc(c1)COCc2ccccc2 7a_100000210790_100000738771 [0,1,0,0,0,1|1,0,0]=3 9922 B17R2.5301 Brc1cncc(c1)COCc2ccccc2 7a_100011259137_100000211182 [0,1,0,0,0,1|1,0,0]=3 9923 B17R2.5301 Brc1cncc(c1)COCc2ccccn2 34a_100011259137_100000721315 [0,1,0,0,0,1|2,0,0]=4 9924 B17R2.5301 Brc1cncc(c1)COCc2ccccn2 7a_100011259137_100000721315 [0,1,0,0,0,1|2,0,0]=4 9925 B17R2.5301 Brc1cncc(c1)COCc2cccnc2 34a_100011259137_100000733263 [0,1,0,0,0,1|2,0,0]=4 9926 B17R2.5301 Brc1cncc(c1)COCc2cccnc2 7a_100011259137_100000741622 [0,1,0,0,0,1|2,0,0]=4 9927 B17R2.5301 Brc1cncc(c1)COCc2ccncc2 7a_100011259137_100015193705 [0,1,0,0,0,1|2,0,0]=4 9928 B17R2.5301 Brc1cncc(c1)CSCc2ccccc2 62a_100000211182_100000738771 [0,1,0,0,0,1|1,0,0]=3 9929 B17R2.5301 Brc1cncc(c1)CSCc2ccccc2 62a_100000738771_100015291786 [0,1,0,0,0,1|1,0,0]=3 9930 B17R2.5301 Brc1cncc(c1)CSCc2ccccn2 62a_100000721315_100000738771 [0,1,0,0,0,1|2,0,0]=4 9931 B17R2.5301 Brc1cncc(c1)CSCc2ccccn2 62a_100000738771_100000721315 [0,1,0,0,0,1|2,0,0]=4 9932 B17R2.5301 Brc1cncc(c1)CSCc2cccnc2 62a_100000738771_100000741622 [0,1,0,0,0,1|2,0,0]=4 9933 B17R2.5301 Brc1cncc(c1)CSCc2cccnc2 62a_100000741622_100000738771 [0,1,0,0,0,1|2,0,0]=4 9934 B17R2.5301 Brc1cncc(c1)CSCc2ccncc2 62a_100000738771_100015193705 [0,1,0,0,0,1|2,0,0]=4 9935 B17R2.5301 Brc1cncc(c1)CSCc2ccncc2 62a_100015193705_100000738771 [0,1,0,0,0,1|2,0,0]=4 9936 B17R2.5301 Brc1cncc(c1)NN=Cc2ccccc2 4a_100000727789_100015611070 [0,1,0,0,0,1|1,0,1]=4 9937 B17R2.5301 Brc1cncc(c1)NN=Cc2cccnc2 4a_100000727789_100000209961 [0,1,0,0,0,1|1,0,1]=4 9938 B17R2.5301 Brc1cncc(c1)OCCc2ccccc2 34a_100000754920_100000765856 [0,1,0,0,0,1|1,0,0]=3 9939 B17R2.5301 Brc1cncc(c1)OCCc2ccccc2 7a_100000754920_100000765856 [0,1,0,0,0,1|1,0,0]=3 9940 B17R2.5301 Brc1cncc(c1)OCCc2ccccn2 7a_100000754920_100015183660 [0,1,0,0,0,1|2,0,0]=4 9941 B17R2.5301 Brc1cncc(c1)OCCc2cccnc2 7a_100000754920_200011713674 [0,1,0,0,0,1|2,0,0]=4 9942 B17R2.5301 Brc1cncc(c1)OCCc2ccncc2 7a_100000754920_100000723409 [0,1,0,0,0,1|2,0,0]=4 9943 B17R2.5301 Brc1cncc(c1)SCCc2ccccc2 62a_100000728054_100011218657 [0,1,0,0,0,1|1,0,0]=3 9944 B17R2.5301 Brc1cncc(c1)SCCc2ccccc2 62a_100000765856_100000728054 [0,1,0,0,0,1|1,0,0]=3 9945 B17R2.5301 Brc1cncc(c1)SCCc2ccccn2 62a_100000728054_100015183660 [0,1,0,0,0,1|2,0,0]=4 9946 B17R2.5301 Brc1cncc(c1)SCCc2ccccn2 62a_100015183660_100000728054 [0,1,0,0,0,1|2,0,0]=4 9947 B17R2.5301 Brc1cncc(c1)SCCc2cccnc2 62a_100000728054_200011713674 [0,1,0,0,0,1|2,0,0]=4 9948 B17R2.5301 Brc1cncc(c1)SCCc2cccnc2 62a_200011713674_100000728054 [0,1,0,0,0,1|2,0,0]=4 9949 B17R2.5301 Brc1cncc(c1)SCCc2ccncc2 62a_100000723409_100000728054 [0,1,0,0,0,1|2,0,0]=4 9950 B17R2.5301 Brc1cncc(c1)SCCc2ccncc2 62a_100000728054_100000723409 [0,1,0,0,0,1|2,0,0]=4 9951 B17R2.5301 Brc1cncc(c1)SCSc2ccccc2 62a_100000728054_100011218342 [0,1,0,0,0,1|1,0,0]=3 9952 B17R2.5301 Brc1cncc(c1)SCSc2ccccc2 62a_100011218342_100000728054 [0,1,0,0,0,1|1,0,0]=3 9953 B17R2.5301 C[n+]1cccc(c1)SCCc2ccccc2 62a_100000765856_100009996589 [0,1,0,0,0,1|1,0,1]=4 9954 B17R2.5301 C[n+]1cccc(c1)SCCc2ccccc2 62a_100009996589_100011218657 [0,1,0,0,0,1|1,0,1]=4 9955 B17R2.5301 C[n+]1cccc(c1)SCCc2cccnc2 62a_100009996589_200011713674 [0,1,0,0,0,1|2,0,0]=4 9956 B17R2.5301 C[n+]1cccc(c1)SCCc2cccnc2 62a_200011713674_100009996589 [0,1,0,0,0,1|2,0,0]=4 9957 B17R2.5301 C[n+]1cccc(c1)SCSc2ccccc2 62a_100009996589_100011218342 [0,1,0,0,0,1|1,0,1]=4 9958 B17R2.5301 C[n+]1cccc(c1)SCSc2ccccc2 62a_100011218342_100009996589 [0,1,0,0,0,1|1,0,1]=4 9959 B17R2.5301 Cc1cc(ccn1)CNCc2ccccc2 207a_100011934566_100015611070 [0,1,0,0,0,1|2,0,0]=4 9960 B17R2.5301 Cc1cc(ccn1)CNCc2ccccc2 207a_100015324214_100011361630 [0,1,0,0,0,1|2,0,0]=4 9961 B17R2.5301 Cc1cc(ccn1)CNCc2ccccc2 2230a_100015324214_200020672517 [0,1,0,0,0,1|2,0,0]=4 9962 B17R2.5301 Cc1cc(ccn1)CNCc2ccccc2 270004a_100011934566_100015611070 [0,1,0,0,0,1|2,0,0]=4 9963 B17R2.5301 Cc1cc(ccn1)CNCc2ccccc2 270004a_100015324214_100011361630 [0,1,0,0,0,1|2,0,0]=4 9964 B17R2.5301 Cc1cc(ccn1)CNCc2ccccc2 34a_100011934566_100015291786 [0,1,0,0,0,1|2,0,0]=4 9965 B17R2.5301 Cc1cc(ccn1)CNCc2ccccc2 34a_100015324214_200020672517 [0,1,0,0,0,1|2,0,0]=4 9966 B17R2.5301 Cc1cc(ccn1)CNCc2cccnc2 207a_100000210453_100011361630 [0,1,0,0,0,1|1,0,0]=3 9967 B17R2.5301 Cc1cc(ccn1)CNCc2cccnc2 207a_100011934566_100000209961 [0,1,0,0,0,1|1,0,0]=3 9968 B17R2.5301 Cc1cc(ccn1)CNCc2cccnc2 270004a_100000210453_100011361630 [0,1,0,0,0,1|1,0,0]=3 9969 B17R2.5301 Cc1cc(ccn1)CNCc2cccnc2 270004a_100011934566_100000209961 [0,1,0,0,0,1|1,0,0]=3 9970 B17R2.5301 Cc1cc(ccn1)CNCc2cccnc2 34a_100011934566_100000733263 [0,1,0,0,0,1|1,0,0]=3 9971 B17R2.5301 Cc1cc(ccn1)CNCc2cccnn2 2230a_100159270163_200020672517 [0,1,0,0,0,1|2,0,0]=4 9972 B17R2.5301 Cc1cc(ccn1)CNCc2cccnn2 34a_100011934566_100016990269 [0,1,0,0,0,1|2,0,0]=4 9973 B17R2.5301 Cc1cc(ccn1)CNCc2ccnnc2 270004a_100011934566_100011934578 [0,1,0,0,0,1|2,0,0]=4 9974 B17R2.5301 Cc1cc(ccn1)CNCc2cnccn2 270004a_100011934566_100000749867 [0,1,0,0,0,1|2,0,0]=4 9975 B17R2.5301 Cc1cc(ccn1)CNCc2cnccn2 34a_100011934566_100016995436 [0,1,0,0,0,1|2,0,0]=4 9976 B17R2.5301 Cc1cc(ccn1)CNCc2cncnc2 207a_100011243677_100011361630 [0,1,0,0,0,1|2,0,0]=4 9977 B17R2.5301 Cc1cc(ccn1)CNCc2cncnc2 2230a_100011243677_200020672517 [0,1,0,0,0,1|2,0,0]=4 9978 B17R2.5301 Cc1cc(ccn1)CNCc2cncnc2 270004a_100011243677_100011361630 [0,1,0,0,0,1|2,0,0]=4 9979 B17R2.5301 Cc1cc(ccn1)CNCc2cncnc2 270004a_100011934566_100000749868 [0,1,0,0,0,1|2,0,0]=4 9980 B17R2.5301 Cc1cc(ccn1)CNCc2cncnc2 34a_100011934566_100015196519 [0,1,0,0,0,1|2,0,0]=4 9981 B17R2.5301 Cc1cc(ccn1)COCc2cccnc2 34a_100011998630_100000733263 [0,1,0,0,0,1|2,0,0]=4 9982 B17R2.5301 Cc1cc(ccn1)CSCc2cccnc2 62a_100000741622_200020672517 [0,1,0,0,0,1|2,0,0]=4 9983 B17R2.5301 Cc1cc(ccn1)CSCc2cccnc2 62a_200020672517_100000741622 [0,1,0,0,0,1|2,0,0]=4 9984 B17R2.5301 Cc1cc(ccn1)NCCc2ccccc2 27a_100000106460_100000758586 [0,1,0,0,0,1|2,0,0]=4 9985 B17R2.5301 Cc1cc(ccn1)NCCc2cccnc2 27a_100000736294_100000758586 [0,1,0,0,0,1|1,0,0]=3 9986 B17R2.5301 Cc1cc(ccn1)NCCc2cnccn2 27a_100000723456_100000758586 [0,1,0,0,0,1|2,0,0]=4 9987 B17R2.5301 Cc1cc(ccn1)SCCc2cccnc2 62a_100000758586_200011713674 [0,1,0,0,0,1|2,0,0]=4 9988 B17R2.5301 Cc1cc(ccn1)SCCc2cccnc2 62a_200011713674_100000758586 [0,1,0,0,0,1|2,0,0]=4 9989 B17R2.5301 Cc1cc(ncn1)NCCc2cccnc2 27a_100000736294_100000744208 [0,1,0,0,0,1|2,0,0]=4 9990 B17R2.5301 Cc1cccc(c1)C=CCc2ccccc2 271570a_200016263579_100011215228 [0,1,0,0,0,1|2,0,0]=4 9991 B17R2.5301 Cc1cccc(c1)C=NNc2ccccc2 4a_100015195140_100000211157 [0,1,0,0,0,1|1,0,1]=4 9992 B17R2.5301 Cc1cccc(c1)C=NNc2cccnc2 4a_100000728903_100000211157 [0,1,0,0,0,1|1,0,1]=4 9993 B17R2.5301 Cc1cccc(c1)CCNc2ccccc2 34a_100000106764_100011713685 [0,1,0,0,0,1|1,0,0]=3 9994 B17R2.5301 Cc1cccc(c1)CCNc2cccnn2 27a_100000749837_100016991348 [0,1,0,0,0,1|2,0,0]=4 9995 B17R2.5301 Cc1cccc(c1)CCNc2cnccn2 27a_100000749837_100000211759 [0,1,0,0,0,1|2,0,0]=4 9996 B17R2.5301 Cc1cccc(c1)CCOc2ccccc2 34a_100000210340_100011713685 [0,1,0,0,0,1|2,0,0]=4 9997 B17R2.5301 Cc1cccc(c1)CCOc2ccccc2 7a_100000210340_100011713685 [0,1,0,0,0,1|2,0,0]=4 9998 B17R2.5301 Cc1cccc(c1)CCOc2cccnc2 34a_100000210849_100011713685 [0,1,0,0,0,1|1,0,0]=3 9999 B17R2.5301 Cc1cccc(c1)CCOc2cccnc2 7a_100000210849_100011713685 [0,1,0,0,0,1|1,0,0]=3 10000 B17R2.5301 Cc1cccc(c1)CCOc2ccnnc2 34a_100015204005_100011713685 [0,1,0,0,0,1|2,0,0]=4 10001 B17R2.5301 Cc1cccc(c1)CCOc2cncnc2 7a_100000754086_100011713685 [0,1,0,0,0,1|2,0,0]=4 10002 B17R2.5301 Cc1cccc(c1)CCSc2ccccc2 62a_100000719477_100011713685 [0,1,0,0,0,1|2,0,0]=4 10003 B17R2.5301 Cc1cccc(c1)CCSc2ccccc2 62a_100011713685_100000041952 [0,1,0,0,0,1|2,0,0]=4 10004 B17R2.5301 Cc1cccc(c1)CCSc2cccnc2 62a_100000210063_100011713685 [0,1,0,0,0,1|1,0,0]=3 10005 B17R2.5301 Cc1cccc(c1)CCSc2cccnc2 62a_100011713685_100000210063 [0,1,0,0,0,1|1,0,0]=3 10006 B17R2.5301 Cc1cccc(c1)CCSc2cccnn2 62a_100011713685_100016991348 [0,1,0,0,0,1|2,0,0]=4 10007 B17R2.5301 Cc1cccc(c1)CCSc2cccnn2 62a_100016991348_100011713685 [0,1,0,0,0,1|2,0,0]=4 10008 B17R2.5301 Cc1cccc(c1)CCSc2ccnnc2 62a_100000732662_100011713685 [0,1,0,0,0,1|2,0,0]=4 10009 B17R2.5301 Cc1cccc(c1)CCSc2ccnnc2 62a_100011713685_100000732662 [0,1,0,0,0,1|2,0,0]=4 10010 B17R2.5301 Cc1cccc(c1)CCSc2cnccn2 62a_100000211759_100011713685 [0,1,0,0,0,1|2,0,0]=4 10011 B17R2.5301 Cc1cccc(c1)CCSc2cnccn2 62a_100011713685_100000211759 [0,1,0,0,0,1|2,0,0]=4 10012 B17R2.5301 Cc1cccc(c1)CCSc2cncnc2 62a_100011206942_100011713685 [0,1,0,0,0,1|2,0,0]=4 10013 B17R2.5301 Cc1cccc(c1)CCSc2cncnc2 62a_100011713685_100011206942 [0,1,0,0,0,1|2,0,0]=4 10014 B17R2.5301 Cc1cccc(c1)CNCc2ccccc2 207a_100000185548_100015611070 [0,1,0,0,0,1|1,0,0]=3 10015 B17R2.5301 Cc1cccc(c1)CNCc2ccccc2 207a_100015324214_100000211157 [0,1,0,0,0,1|1,0,0]=3 10016 B17R2.5301 Cc1cccc(c1)CNCc2ccccc2 2230a_100000185548_100015291786 [0,1,0,0,0,1|1,0,0]=3 10017 B17R2.5301 Cc1cccc(c1)CNCc2ccccc2 2230a_100015324214_100000211840 [0,1,0,0,0,1|1,0,0]=3 10018 B17R2.5301 Cc1cccc(c1)CNCc2ccccc2 270004a_100000185548_100015611070 [0,1,0,0,0,1|1,0,0]=3 10019 B17R2.5301 Cc1cccc(c1)CNCc2ccccc2 270004a_100015324214_100000211157 [0,1,0,0,0,1|1,0,0]=3 10020 B17R2.5301 Cc1cccc(c1)CNCc2ccccc2 34a_100000185548_100015291786 [0,1,0,0,0,1|1,0,0]=3 10021 B17R2.5301 Cc1cccc(c1)CNCc2ccccc2 34a_100015324214_100000211840 [0,1,0,0,0,1|1,0,0]=3 10022 B17R2.5301 Cc1cccc(c1)CNCc2ccccn2 207a_100000185548_100000209966 [0,1,0,0,0,1|2,0,0]=4 10023 B17R2.5301 Cc1cccc(c1)CNCc2ccccn2 2230a_100000185548_100000721315 [0,1,0,0,0,1|2,0,0]=4 10024 B17R2.5301 Cc1cccc(c1)CNCc2ccccn2 270004a_100000185548_100000209966 [0,1,0,0,0,1|2,0,0]=4 10025 B17R2.5301 Cc1cccc(c1)CNCc2ccccn2 270004a_100000210449_100000211157 [0,1,0,0,0,1|2,0,0]=4 10026 B17R2.5301 Cc1cccc(c1)CNCc2ccccn2 34a_100000185548_100000721315 [0,1,0,0,0,1|2,0,0]=4 10027 B17R2.5301 Cc1cccc(c1)CNCc2cccnc2 207a_100000185548_100000209961 [0,1,0,0,0,1|0,0,0]=2 10028 B17R2.5301 Cc1cccc(c1)CNCc2cccnc2 207a_100000210453_100000211157 [0,1,0,0,0,1|0,0,0]=2 10029 B17R2.5301 Cc1cccc(c1)CNCc2cccnc2 2230a_100000185548_100000741622 [0,1,0,0,0,1|0,0,0]=2 10030 B17R2.5301 Cc1cccc(c1)CNCc2cccnc2 270004a_100000185548_100000209961 [0,1,0,0,0,1|0,0,0]=2 10031 B17R2.5301 Cc1cccc(c1)CNCc2cccnc2 270004a_100000210453_100000211157 [0,1,0,0,0,1|0,0,0]=2 10032 B17R2.5301 Cc1cccc(c1)CNCc2cccnc2 34a_100000185548_100000733263 [0,1,0,0,0,1|0,0,0]=2 10033 B17R2.5301 Cc1cccc(c1)CNCc2cccnn2 2230a_100000185548_100016990269 [0,1,0,0,0,1|1,0,0]=3 10034 B17R2.5301 Cc1cccc(c1)CNCc2cccnn2 2230a_100159270163_100000211840 [0,1,0,0,0,1|1,0,0]=3 10035 B17R2.5301 Cc1cccc(c1)CNCc2cccnn2 34a_100000185548_100016990269 [0,1,0,0,0,1|1,0,0]=3 10036 B17R2.5301 Cc1cccc(c1)CNCc2ccncc2 207a_100000185548_100000186114 [0,1,0,0,0,1|2,0,0]=4 10037 B17R2.5301 Cc1cccc(c1)CNCc2ccncc2 2230a_100000185548_100015193705 [0,1,0,0,0,1|2,0,0]=4 10038 B17R2.5301 Cc1cccc(c1)CNCc2ccnnc2 270004a_100000185548_100011934578 [0,1,0,0,0,1|1,0,0]=3 10039 B17R2.5301 Cc1cccc(c1)CNCc2cnccn2 2230a_100000185548_100016995436 [0,1,0,0,0,1|1,0,0]=3 10040 B17R2.5301 Cc1cccc(c1)CNCc2cnccn2 270004a_100000185548_100000749867 [0,1,0,0,0,1|1,0,0]=3 10041 B17R2.5301 Cc1cccc(c1)CNCc2cnccn2 34a_100000185548_100016995436 [0,1,0,0,0,1|1,0,0]=3 10042 B17R2.5301 Cc1cccc(c1)CNCc2cncnc2 207a_100011243677_100000211157 [0,1,0,0,0,1|1,0,0]=3 10043 B17R2.5301 Cc1cccc(c1)CNCc2cncnc2 2230a_100000185548_100015196519 [0,1,0,0,0,1|1,0,0]=3 10044 B17R2.5301 Cc1cccc(c1)CNCc2cncnc2 2230a_100011243677_100000211840 [0,1,0,0,0,1|1,0,0]=3 10045 B17R2.5301 Cc1cccc(c1)CNCc2cncnc2 270004a_100000185548_100000749868 [0,1,0,0,0,1|1,0,0]=3 10046 B17R2.5301 Cc1cccc(c1)CNCc2cncnc2 270004a_100011243677_100000211157 [0,1,0,0,0,1|1,0,0]=3 10047 B17R2.5301 Cc1cccc(c1)CNCc2cncnc2 34a_100000185548_100015196519 [0,1,0,0,0,1|1,0,0]=3 10048 B17R2.5301 Cc1cccc(c1)COCc2ccccc2 34a_100000210790_100000211840 [0,1,0,0,0,1|2,0,0]=4 10049 B17R2.5301 Cc1cccc(c1)COCc2ccccc2 34a_100011217746_100015291786 [0,1,0,0,0,1|2,0,0]=4 10050 B17R2.5301 Cc1cccc(c1)COCc2ccccc2 7a_100000210790_100000211840 [0,1,0,0,0,1|2,0,0]=4 10051 B17R2.5301 Cc1cccc(c1)COCc2ccccc2 7a_100011217746_100000211182 [0,1,0,0,0,1|2,0,0]=4 10052 B17R2.5301 Cc1cccc(c1)COCc2cccnc2 34a_100011217746_100000733263 [0,1,0,0,0,1|1,0,0]=3 10053 B17R2.5301 Cc1cccc(c1)COCc2cccnc2 7a_100011217746_100000741622 [0,1,0,0,0,1|1,0,0]=3 10054 B17R2.5301 Cc1cccc(c1)COCc2cccnn2 34a_100011217746_100016990269 [0,1,0,0,0,1|2,0,0]=4 10055 B17R2.5301 Cc1cccc(c1)COCc2cccnn2 7a_100011217746_100016990269 [0,1,0,0,0,1|2,0,0]=4 10056 B17R2.5301 Cc1cccc(c1)COCc2cnccn2 34a_100011217746_100016995436 [0,1,0,0,0,1|2,0,0]=4 10057 B17R2.5301 Cc1cccc(c1)COCc2cnccn2 7a_100011217746_100016995436 [0,1,0,0,0,1|2,0,0]=4 10058 B17R2.5301 Cc1cccc(c1)COCc2cncnc2 34a_100011217746_100015196519 [0,1,0,0,0,1|2,0,0]=4 10059 B17R2.5301 Cc1cccc(c1)COCc2cncnc2 7a_100011217746_100015196519 [0,1,0,0,0,1|2,0,0]=4 10060 B17R2.5301 Cc1cccc(c1)CSCc2ccccc2 62a_100000211182_100000211840 [0,1,0,0,0,1|2,0,0]=4 10061 B17R2.5301 Cc1cccc(c1)CSCc2ccccc2 62a_100000211840_100015291786 [0,1,0,0,0,1|2,0,0]=4 10062 B17R2.5301 Cc1cccc(c1)CSCc2cccnc2 62a_100000211840_100000741622 [0,1,0,0,0,1|1,0,0]=3 10063 B17R2.5301 Cc1cccc(c1)CSCc2cccnc2 62a_100000741622_100000211840 [0,1,0,0,0,1|1,0,0]=3 10064 B17R2.5301 Cc1cccc(c1)CSCc2cccnn2 62a_100000211840_100016990269 [0,1,0,0,0,1|2,0,0]=4 10065 B17R2.5301 Cc1cccc(c1)CSCc2cccnn2 62a_100016990269_100000211840 [0,1,0,0,0,1|2,0,0]=4 10066 B17R2.5301 Cc1cccc(c1)CSCc2cnccn2 62a_100000211840_100016995436 [0,1,0,0,0,1|2,0,0]=4 10067 B17R2.5301 Cc1cccc(c1)CSCc2cnccn2 62a_100016995436_100000211840 [0,1,0,0,0,1|2,0,0]=4 10068 B17R2.5301 Cc1cccc(c1)CSCc2cncnc2 62a_100000211840_100015196519 [0,1,0,0,0,1|2,0,0]=4 10069 B17R2.5301 Cc1cccc(c1)CSCc2cncnc2 62a_100015196519_100000211840 [0,1,0,0,0,1|2,0,0]=4 10070 B17R2.5301 Cc1cccc(c1)NCCc2ccccc2 2230a_100000188690_100000765856 [0,1,0,0,0,1|1,0,0]=3 10071 B17R2.5301 Cc1cccc(c1)NCCc2ccccc2 34a_100000188690_100000765856 [0,1,0,0,0,1|1,0,0]=3 10072 B17R2.5301 Cc1cccc(c1)NCCc2ccccn2 2230a_100000188690_100015183660 [0,1,0,0,0,1|2,0,0]=4 10073 B17R2.5301 Cc1cccc(c1)NCCc2cccnc2 2230a_100000188690_200011713674 [0,1,0,0,0,1|0,0,0]=2 10074 B17R2.5301 Cc1cccc(c1)NCCc2ccncc2 2230a_100000188690_100000723409 [0,1,0,0,0,1|2,0,0]=4 10075 B17R2.5301 Cc1cccc(c1)NCSc2ccccc2 2230a_100000188690_100011218342 [0,1,0,0,0,1|1,0,0]=3 10076 B17R2.5301 Cc1cccc(c1)NN=Cc2ccccc2 4a_100000681630_100015611070 [0,1,0,0,0,1|1,0,1]=4 10077 B17R2.5301 Cc1cccc(c1)NN=Cc2cccnc2 4a_100000681630_100000209961 [0,1,0,0,0,1|0,0,1]=3 10078 B17R2.5301 Cc1cccc(c1)NN=Cc2ccnnc2 4a_100000681630_100011934578 [0,1,0,0,0,1|1,0,1]=4 10079 B17R2.5301 Cc1cccc(c1)NN=Cc2cnccn2 4a_100000681630_100000749867 [0,1,0,0,0,1|1,0,1]=4 10080 B17R2.5301 Cc1cccc(c1)NN=Cc2cncnc2 4a_100000681630_100000749868 [0,1,0,0,0,1|1,0,1]=4 10081 B17R2.5301 Cc1cccc(c1)OCCc2ccccc2 34a_100000210337_100000765856 [0,1,0,0,0,1|2,0,0]=4 10082 B17R2.5301 Cc1cccc(c1)OCCc2ccccc2 7a_100000210337_100000765856 [0,1,0,0,0,1|2,0,0]=4 10083 B17R2.5301 Cc1cccc(c1)OCCc2cccnc2 7a_100000210337_200011713674 [0,1,0,0,0,1|1,0,0]=3 10084 B17R2.5301 Cc1cccc(c1)SCCc2ccccc2 62a_100000765856_100011215228 [0,1,0,0,0,1|2,0,0]=4 10085 B17R2.5301 Cc1cccc(c1)SCCc2ccccc2 62a_100011215228_100011218657 [0,1,0,0,0,1|2,0,0]=4 10086 B17R2.5301 Cc1cccc(c1)SCCc2cccnc2 62a_100011215228_200011713674 [0,1,0,0,0,1|1,0,0]=3 10087 B17R2.5301 Cc1cccc(c1)SCCc2cccnc2 62a_200011713674_100011215228 [0,1,0,0,0,1|1,0,0]=3 10088 B17R2.5301 Cc1cccc(c1)SCSc2ccccc2 62a_100011215228_100011218342 [0,1,0,0,0,1|2,0,0]=4 10089 B17R2.5301 Cc1cccc(c1)SCSc2ccccc2 62a_100011218342_100011215228 [0,1,0,0,0,1|2,0,0]=4 10090 B17R2.5301 Cc1cccc(n1)CNCc2ccccc2 207a_100015324214_100011215050 [0,1,0,0,0,1|2,0,0]=4 10091 B17R2.5301 Cc1cccc(n1)CNCc2ccccc2 2230a_100015324214_100000757606 [0,1,0,0,0,1|2,0,0]=4 10092 B17R2.5301 Cc1cccc(n1)CNCc2ccccc2 270004a_100015324214_100011215050 [0,1,0,0,0,1|2,0,0]=4 10093 B17R2.5301 Cc1cccc(n1)CNCc2ccccc2 34a_100000701342_100015291786 [0,1,0,0,0,1|2,0,0]=4 10094 B17R2.5301 Cc1cccc(n1)CNCc2ccccc2 34a_100015324214_100000757606 [0,1,0,0,0,1|2,0,0]=4 10095 B17R2.5301 Cc1cccc(n1)CNCc2cccnc2 207a_100000210453_100011215050 [0,1,0,0,0,1|1,0,0]=3 10096 B17R2.5301 Cc1cccc(n1)CNCc2cccnc2 270004a_100000210453_100011215050 [0,1,0,0,0,1|1,0,0]=3 10097 B17R2.5301 Cc1cccc(n1)CNCc2cccnc2 34a_100000701342_100000733263 [0,1,0,0,0,1|1,0,0]=3 10098 B17R2.5301 Cc1cccc(n1)CNCc2cccnn2 2230a_100159270163_100000757606 [0,1,0,0,0,1|2,0,0]=4 10099 B17R2.5301 Cc1cccc(n1)CNCc2cccnn2 34a_100000701342_100016990269 [0,1,0,0,0,1|2,0,0]=4 10100 B17R2.5301 Cc1cccc(n1)CNCc2cnccn2 34a_100000701342_100016995436 [0,1,0,0,0,1|2,0,0]=4 10101 B17R2.5301 Cc1cccc(n1)CNCc2cncnc2 207a_100011243677_100011215050 [0,1,0,0,0,1|2,0,0]=4 10102 B17R2.5301 Cc1cccc(n1)CNCc2cncnc2 2230a_100011243677_100000757606 [0,1,0,0,0,1|2,0,0]=4 10103 B17R2.5301 Cc1cccc(n1)CNCc2cncnc2 270004a_100011243677_100011215050 [0,1,0,0,0,1|2,0,0]=4 10104 B17R2.5301 Cc1cccc(n1)CNCc2cncnc2 34a_100000701342_100015196519 [0,1,0,0,0,1|2,0,0]=4 10105 B17R2.5301 Cc1cccc(n1)COCc2cccnc2 34a_100000690600_100000733263 [0,1,0,0,0,1|2,0,0]=4 10106 B17R2.5301 Cc1cccc(n1)CSCc2cccnc2 62a_100000741622_100000757606 [0,1,0,0,0,1|2,0,0]=4 10107 B17R2.5301 Cc1cccc(n1)CSCc2cccnc2 62a_100000757606_100000741622 [0,1,0,0,0,1|2,0,0]=4 10108 B17R2.5301 Cc1cccc(n1)NN=Cc2cccnc2 4a_100011363444_100000209961 [0,1,0,0,0,1|1,0,1]=4 10109 B17R2.5301 Cc1cccc(n1)SCCc2cccnc2 62a_100000742759_200011713674 [0,1,0,0,0,1|2,0,0]=4 10110 B17R2.5301 Cc1cccc(n1)SCCc2cccnc2 62a_200011713674_100000742759 [0,1,0,0,0,1|2,0,0]=4 10111 B17R2.5301 Cc1ccnc(c1)CNCc2ccccc2 207a_100015324214_100011361488 [0,1,0,0,0,1|2,0,0]=4 10112 B17R2.5301 Cc1ccnc(c1)CNCc2ccccc2 2230a_100015324214_100000718516 [0,1,0,0,0,1|2,0,0]=4 10113 B17R2.5301 Cc1ccnc(c1)CNCc2ccccc2 270004a_100015324214_100011361488 [0,1,0,0,0,1|2,0,0]=4 10114 B17R2.5301 Cc1ccnc(c1)CNCc2ccccc2 34a_100015324214_100000718516 [0,1,0,0,0,1|2,0,0]=4 10115 B17R2.5301 Cc1ccnc(c1)CNCc2cccnc2 207a_100000210453_100011361488 [0,1,0,0,0,1|1,0,0]=3 10116 B17R2.5301 Cc1ccnc(c1)CNCc2cccnc2 270004a_100000210453_100011361488 [0,1,0,0,0,1|1,0,0]=3 10117 B17R2.5301 Cc1ccnc(c1)CNCc2cccnn2 2230a_100159270163_100000718516 [0,1,0,0,0,1|2,0,0]=4 10118 B17R2.5301 Cc1ccnc(c1)CNCc2cncnc2 207a_100011243677_100011361488 [0,1,0,0,0,1|2,0,0]=4 10119 B17R2.5301 Cc1ccnc(c1)CNCc2cncnc2 2230a_100011243677_100000718516 [0,1,0,0,0,1|2,0,0]=4 10120 B17R2.5301 Cc1ccnc(c1)CNCc2cncnc2 270004a_100011243677_100011361488 [0,1,0,0,0,1|2,0,0]=4 10121 B17R2.5301 Cc1ccnc(c1)COCc2cccnc2 34a_100011998357_100000733263 [0,1,0,0,0,1|2,0,0]=4 10122 B17R2.5301 Cc1ccnc(c1)CSCc2cccnc2 62a_100000718516_100000741622 [0,1,0,0,0,1|2,0,0]=4 10123 B17R2.5301 Cc1ccnc(c1)CSCc2cccnc2 62a_100000741622_100000718516 [0,1,0,0,0,1|2,0,0]=4 10124 B17R2.5301 Cc1ccnc(c1)NN=Cc2cccnc2 4a_100000746014_100000209961 [0,1,0,0,0,1|1,0,1]=4 10125 B17R2.5301 Cc1ccnc(c1)SCCc2cccnc2 62a_100000750283_200011713674 [0,1,0,0,0,1|2,0,0]=4 10126 B17R2.5301 Cc1ccnc(c1)SCCc2cccnc2 62a_200011713674_100000750283 [0,1,0,0,0,1|2,0,0]=4 10127 B17R2.5301 Cc1ccnc(n1)CNCc2cccnc2 2230a_100015186494_100000741622 [0,1,0,0,0,1|2,0,0]=4 10128 B17R2.5301 Cc1ccnc(n1)NCCc2cccnc2 27a_100000736294_100000750684 [0,1,0,0,0,1|2,0,0]=4 10129 B17R2.5301 Cc1cncc(c1)C=CCc2ccccc2 271570a_200016263579_100000760492 [0,1,0,0,0,1|1,0,1]=4 10130 B17R2.5301 Cc1cncc(c1)C=NNc2ccccc2 4a_100015195140_100011998712 [0,1,0,0,0,1|0,0,1]=3 10131 B17R2.5301 Cc1cncc(c1)C=NNc2ccccn2 4a_100000183288_100011998712 [0,1,0,0,0,1|1,0,1]=4 10132 B17R2.5301 Cc1cncc(c1)C=NNc2cccnc2 4a_100000728903_100011998712 [0,1,0,0,0,1|1,0,1]=4 10133 B17R2.5301 Cc1cncc(c1)C=NNc2ccncc2 4a_100000698918_100011998712 [0,1,0,0,0,1|1,0,1]=4 10134 B17R2.5301 Cc1cncc(c1)CNCc2ccccc2 207a_100000692839_100015611070 [0,1,0,0,0,1|0,0,0]=2 10135 B17R2.5301 Cc1cncc(c1)CNCc2ccccc2 207a_100015324214_100011998712 [0,1,0,0,0,1|0,0,0]=2 10136 B17R2.5301 Cc1cncc(c1)CNCc2ccccc2 2230a_100000692839_100015291786 [0,1,0,0,0,1|0,0,0]=2 10137 B17R2.5301 Cc1cncc(c1)CNCc2ccccc2 2230a_100015324214_100000716715 [0,1,0,0,0,1|0,0,0]=2 10138 B17R2.5301 Cc1cncc(c1)CNCc2ccccc2 270004a_100000692839_100015611070 [0,1,0,0,0,1|0,0,0]=2 10139 B17R2.5301 Cc1cncc(c1)CNCc2ccccc2 270004a_100015324214_100011998712 [0,1,0,0,0,1|0,0,0]=2 10140 B17R2.5301 Cc1cncc(c1)CNCc2ccccc2 34a_100000692839_100015291786 [0,1,0,0,0,1|0,0,0]=2 10141 B17R2.5301 Cc1cncc(c1)CNCc2ccccc2 34a_100015324214_100000716715 [0,1,0,0,0,1|0,0,0]=2 10142 B17R2.5301 Cc1cncc(c1)CNCc2ccccn2 207a_100000692839_100000209966 [0,1,0,0,0,1|1,0,0]=3 10143 B17R2.5301 Cc1cncc(c1)CNCc2ccccn2 2230a_100000692839_100000721315 [0,1,0,0,0,1|1,0,0]=3 10144 B17R2.5301 Cc1cncc(c1)CNCc2ccccn2 270004a_100000210449_100011998712 [0,1,0,0,0,1|1,0,0]=3 10145 B17R2.5301 Cc1cncc(c1)CNCc2ccccn2 270004a_100000692839_100000209966 [0,1,0,0,0,1|1,0,0]=3 10146 B17R2.5301 Cc1cncc(c1)CNCc2ccccn2 34a_100000692839_100000721315 [0,1,0,0,0,1|1,0,0]=3 10147 B17R2.5301 Cc1cncc(c1)CNCc2cccnc2 207a_100000210453_100011998712 [0,1,0,0,0,1|1,0,0]=3 10148 B17R2.5301 Cc1cncc(c1)CNCc2cccnc2 207a_100000692839_100000209961 [0,1,0,0,0,1|1,0,0]=3 10149 B17R2.5301 Cc1cncc(c1)CNCc2cccnc2 2230a_100000692839_100000741622 [0,1,0,0,0,1|1,0,0]=3 10150 B17R2.5301 Cc1cncc(c1)CNCc2cccnc2 270004a_100000210453_100011998712 [0,1,0,0,0,1|1,0,0]=3 10151 B17R2.5301 Cc1cncc(c1)CNCc2cccnc2 270004a_100000692839_100000209961 [0,1,0,0,0,1|1,0,0]=3 10152 B17R2.5301 Cc1cncc(c1)CNCc2cccnc2 34a_100000692839_100000733263 [0,1,0,0,0,1|1,0,0]=3 10153 B17R2.5301 Cc1cncc(c1)CNCc2cccnn2 2230a_100000692839_100016990269 [0,1,0,0,0,1|2,0,0]=4 10154 B17R2.5301 Cc1cncc(c1)CNCc2cccnn2 2230a_100159270163_100000716715 [0,1,0,0,0,1|2,0,0]=4 10155 B17R2.5301 Cc1cncc(c1)CNCc2cccnn2 34a_100000692839_100016990269 [0,1,0,0,0,1|2,0,0]=4 10156 B17R2.5301 Cc1cncc(c1)CNCc2ccncc2 207a_100000692839_100000186114 [0,1,0,0,0,1|1,0,0]=3 10157 B17R2.5301 Cc1cncc(c1)CNCc2ccncc2 2230a_100000692839_100015193705 [0,1,0,0,0,1|1,0,0]=3 10158 B17R2.5301 Cc1cncc(c1)CNCc2ccnnc2 270004a_100000692839_100011934578 [0,1,0,0,0,1|2,0,0]=4 10159 B17R2.5301 Cc1cncc(c1)CNCc2cnccn2 2230a_100000692839_100016995436 [0,1,0,0,0,1|2,0,0]=4 10160 B17R2.5301 Cc1cncc(c1)CNCc2cnccn2 270004a_100000692839_100000749867 [0,1,0,0,0,1|2,0,0]=4 10161 B17R2.5301 Cc1cncc(c1)CNCc2cnccn2 34a_100000692839_100016995436 [0,1,0,0,0,1|2,0,0]=4 10162 B17R2.5301 Cc1cncc(c1)CNCc2cncnc2 207a_100011243677_100011998712 [0,1,0,0,0,1|2,0,0]=4 10163 B17R2.5301 Cc1cncc(c1)CNCc2cncnc2 2230a_100000692839_100015196519 [0,1,0,0,0,1|2,0,0]=4 10164 B17R2.5301 Cc1cncc(c1)CNCc2cncnc2 2230a_100011243677_100000716715 [0,1,0,0,0,1|2,0,0]=4 10165 B17R2.5301 Cc1cncc(c1)CNCc2cncnc2 270004a_100000692839_100000749868 [0,1,0,0,0,1|2,0,0]=4 10166 B17R2.5301 Cc1cncc(c1)CNCc2cncnc2 270004a_100011243677_100011998712 [0,1,0,0,0,1|2,0,0]=4 10167 B17R2.5301 Cc1cncc(c1)CNCc2cncnc2 34a_100000692839_100015196519 [0,1,0,0,0,1|2,0,0]=4 10168 B17R2.5301 Cc1cncc(c1)CNCc2ncccn2 2230a_100000692839_100000703007 [0,1,0,0,0,1|2,0,0]=4 10169 B17R2.5301 Cc1cncc(c1)CNCc2ncccn2 270004a_100000692839_100011532527 [0,1,0,0,0,1|2,0,0]=4 10170 B17R2.5301 Cc1cncc(c1)CNCc2ncccn2 34a_100000692839_100000703007 [0,1,0,0,0,1|2,0,0]=4 10171 B17R2.5301 Cc1cncc(c1)COCc2ccccc2 34a_100000210790_100000716715 [0,1,0,0,0,1|1,0,0]=3 10172 B17R2.5301 Cc1cncc(c1)COCc2ccccc2 34a_100011998709_100015291786 [0,1,0,0,0,1|1,0,0]=3 10173 B17R2.5301 Cc1cncc(c1)COCc2ccccc2 7a_100000210790_100000716715 [0,1,0,0,0,1|1,0,0]=3 10174 B17R2.5301 Cc1cncc(c1)COCc2ccccc2 7a_100011998709_100000211182 [0,1,0,0,0,1|1,0,0]=3 10175 B17R2.5301 Cc1cncc(c1)COCc2ccccn2 34a_100011998709_100000721315 [0,1,0,0,0,1|2,0,0]=4 10176 B17R2.5301 Cc1cncc(c1)COCc2ccccn2 7a_100011998709_100000721315 [0,1,0,0,0,1|2,0,0]=4 10177 B17R2.5301 Cc1cncc(c1)COCc2cccnc2 34a_100011998709_100000733263 [0,1,0,0,0,1|2,0,0]=4 10178 B17R2.5301 Cc1cncc(c1)COCc2cccnc2 7a_100011998709_100000741622 [0,1,0,0,0,1|2,0,0]=4 10179 B17R2.5301 Cc1cncc(c1)COCc2ccncc2 7a_100011998709_100015193705 [0,1,0,0,0,1|2,0,0]=4 10180 B17R2.5301 Cc1cncc(c1)CSCc2ccccc2 62a_100000211182_100000716715 [0,1,0,0,0,1|1,0,0]=3 10181 B17R2.5301 Cc1cncc(c1)CSCc2ccccc2 62a_100000716715_100015291786 [0,1,0,0,0,1|1,0,0]=3 10182 B17R2.5301 Cc1cncc(c1)CSCc2ccccn2 62a_100000716715_100000721315 [0,1,0,0,0,1|2,0,0]=4 10183 B17R2.5301 Cc1cncc(c1)CSCc2ccccn2 62a_100000721315_100000716715 [0,1,0,0,0,1|2,0,0]=4 10184 B17R2.5301 Cc1cncc(c1)CSCc2cccnc2 62a_100000716715_100000741622 [0,1,0,0,0,1|2,0,0]=4 10185 B17R2.5301 Cc1cncc(c1)CSCc2cccnc2 62a_100000741622_100000716715 [0,1,0,0,0,1|2,0,0]=4 10186 B17R2.5301 Cc1cncc(c1)CSCc2ccncc2 62a_100000716715_100015193705 [0,1,0,0,0,1|2,0,0]=4 10187 B17R2.5301 Cc1cncc(c1)CSCc2ccncc2 62a_100015193705_100000716715 [0,1,0,0,0,1|2,0,0]=4 10188 B17R2.5301 Cc1cncc(c1)OCCc2ccccc2 34a_100011830280_100000765856 [0,1,0,0,0,1|1,0,0]=3 10189 B17R2.5301 Cc1cncc(c1)OCCc2ccccc2 7a_100011830280_100000765856 [0,1,0,0,0,1|1,0,0]=3 10190 B17R2.5301 Cc1cncc(c1)OCCc2ccccn2 7a_100011830280_100015183660 [0,1,0,0,0,1|2,0,0]=4 10191 B17R2.5301 Cc1cncc(c1)OCCc2cccnc2 7a_100011830280_200011713674 [0,1,0,0,0,1|2,0,0]=4 10192 B17R2.5301 Cc1cncc(c1)OCCc2ccncc2 7a_100011830280_100000723409 [0,1,0,0,0,1|2,0,0]=4 10193 B17R2.5301 Cc1cncc(c1)SCCc2ccccc2 62a_100000760492_100011218657 [0,1,0,0,0,1|1,0,0]=3 10194 B17R2.5301 Cc1cncc(c1)SCCc2ccccc2 62a_100000765856_100000760492 [0,1,0,0,0,1|1,0,0]=3 10195 B17R2.5301 Cc1cncc(c1)SCCc2ccccn2 62a_100000760492_100015183660 [0,1,0,0,0,1|2,0,0]=4 10196 B17R2.5301 Cc1cncc(c1)SCCc2ccccn2 62a_100015183660_100000760492 [0,1,0,0,0,1|2,0,0]=4 10197 B17R2.5301 Cc1cncc(c1)SCCc2cccnc2 62a_100000760492_200011713674 [0,1,0,0,0,1|2,0,0]=4 10198 B17R2.5301 Cc1cncc(c1)SCCc2cccnc2 62a_200011713674_100000760492 [0,1,0,0,0,1|2,0,0]=4 10199 B17R2.5301 Cc1cncc(c1)SCCc2ccncc2 62a_100000723409_100000760492 [0,1,0,0,0,1|2,0,0]=4 10200 B17R2.5301 Cc1cncc(c1)SCCc2ccncc2 62a_100000760492_100000723409 [0,1,0,0,0,1|2,0,0]=4 10201 B17R2.5301 Cc1cncc(c1)SCSc2ccccc2 62a_100000760492_100011218342 [0,1,0,0,0,1|1,0,0]=3 10202 B17R2.5301 Cc1cncc(c1)SCSc2ccccc2 62a_100011218342_100000760492 [0,1,0,0,0,1|1,0,0]=3 10203 B17R2.5301 Cc1cncc(n1)C=NNc2ccccc2 4a_100015195140_100000100294 [0,1,0,0,0,1|1,0,1]=4 10204 B17R2.5301 Cc1cncc(n1)CNCc2ccccc2 207a_100015324214_100000100294 [0,1,0,0,0,1|1,0,0]=3 10205 B17R2.5301 Cc1cncc(n1)CNCc2ccccc2 270004a_100015324214_100000100294 [0,1,0,0,0,1|1,0,0]=3 10206 B17R2.5301 Cc1cncc(n1)CNCc2ccccn2 270004a_100000210449_100000100294 [0,1,0,0,0,1|2,0,0]=4 10207 B17R2.5301 Cc1cncc(n1)CNCc2cccnc2 207a_100000210453_100000100294 [0,1,0,0,0,1|2,0,0]=4 10208 B17R2.5301 Cc1cncc(n1)CNCc2cccnc2 270004a_100000210453_100000100294 [0,1,0,0,0,1|2,0,0]=4 10209 B17R2.5301 Cc1cncc(n1)NCCc2ccccc2 27a_100000106460_100000754123 [0,1,0,0,0,1|2,0,0]=4 10210 B17R2.5301 Cc1cncc(n1)NCCc2cccnc2 27a_100000736294_100000754123 [0,1,0,0,0,1|2,0,0]=4 10211 B17R2.5301 Cc1cncc(n1)SCCc2ccccc2 62a_100000754123_100011218657 [0,1,0,0,0,1|2,0,0]=4 10212 B17R2.5301 Cc1cncc(n1)SCCc2ccccc2 62a_100000765856_100000754123 [0,1,0,0,0,1|2,0,0]=4 10213 B17R2.5301 Cc1cncc(n1)SCSc2ccccc2 62a_100000754123_100011218342 [0,1,0,0,0,1|2,0,0]=4 10214 B17R2.5301 Cc1cncc(n1)SCSc2ccccc2 62a_100011218342_100000754123 [0,1,0,0,0,1|2,0,0]=4 10215 B17R2.5301 Cc1cnnc(c1)COCc2ccccc2 34a_100016212594_100015291786 [0,1,0,0,0,1|2,0,0]=4 10216 B17R2.5301 Cc1cnnc(c1)NCCc2ccccc2 27a_100000106460_100000070100 [0,1,0,0,0,1|2,0,0]=4 10217 B17R2.5301 Cc1cnnc(c1)NCCc2cccnc2 27a_100000736294_100000070100 [0,1,0,0,0,1|2,0,0]=4 10218 B17R2.5301 Cc1cnnc(c1)OCCc2ccccc2 34a_100000766097_100000765856 [0,1,0,0,0,1|2,0,0]=4 10219 B17R2.5301 Cc1cnnc(c1)SCCc2ccccc2 62a_100000070100_100011218657 [0,1,0,0,0,1|2,0,0]=4 10220 B17R2.5301 Cc1cnnc(c1)SCCc2ccccc2 62a_100000765856_100000070100 [0,1,0,0,0,1|2,0,0]=4 10221 B17R2.5301 Cc1cnnc(c1)SCSc2ccccc2 62a_100000070100_100011218342 [0,1,0,0,0,1|2,0,0]=4 10222 B17R2.5301 Cc1cnnc(c1)SCSc2ccccc2 62a_100011218342_100000070100 [0,1,0,0,0,1|2,0,0]=4 10223 B17R2.5301 Cc1nccc(n1)CNCc2cccnc2 270004a_100000210453_100011361539 [0,1,0,0,0,1|2,0,0]=4 10224 B17R2.5301 Cc1nccc(n1)NCCc2cccnc2 27a_100000736294_100000749937 [0,1,0,0,0,1|2,0,0]=4 10225 B17R2.5301 Clc1cc(ccn1)CNCc2ccccc2 2230a_100015205668_100015291786 [0,1,0,0,0,1|2,0,0]=4 10226 B17R2.5301 Clc1cc(ccn1)CNCc2ccccc2 2230a_100015324214_100000764220 [0,1,0,0,0,1|2,0,0]=4 10227 B17R2.5301 Clc1cc(ccn1)CNCc2ccccc2 270004a_100015205668_100015611070 [0,1,0,0,0,1|2,0,0]=4 10228 B17R2.5301 Clc1cc(ccn1)CNCc2ccccc2 270004a_100015324214_100011290808 [0,1,0,0,0,1|2,0,0]=4 10229 B17R2.5301 Clc1cc(ccn1)CNCc2ccccc2 34a_100015205668_100015291786 [0,1,0,0,0,1|2,0,0]=4 10230 B17R2.5301 Clc1cc(ccn1)CNCc2ccccc2 34a_100015324214_100000764220 [0,1,0,0,0,1|2,0,0]=4 10231 B17R2.5301 Clc1cc(ccn1)CNCc2cccnc2 2230a_100015205668_100000741622 [0,1,0,0,0,1|1,0,0]=3 10232 B17R2.5301 Clc1cc(ccn1)CNCc2cccnc2 270004a_100000210453_100011290808 [0,1,0,0,0,1|1,0,0]=3 10233 B17R2.5301 Clc1cc(ccn1)CNCc2cccnc2 270004a_100015205668_100000209961 [0,1,0,0,0,1|1,0,0]=3 10234 B17R2.5301 Clc1cc(ccn1)CNCc2cccnc2 34a_100015205668_100000733263 [0,1,0,0,0,1|1,0,0]=3 10235 B17R2.5301 Clc1cc(ccn1)CNCc2cccnn2 2230a_100015205668_100016990269 [0,1,0,0,0,1|2,0,0]=4 10236 B17R2.5301 Clc1cc(ccn1)CNCc2cccnn2 2230a_100159270163_100000764220 [0,1,0,0,0,1|2,0,0]=4 10237 B17R2.5301 Clc1cc(ccn1)CNCc2cccnn2 34a_100015205668_100016990269 [0,1,0,0,0,1|2,0,0]=4 10238 B17R2.5301 Clc1cc(ccn1)CNCc2ccnnc2 270004a_100015205668_100011934578 [0,1,0,0,0,1|2,0,0]=4 10239 B17R2.5301 Clc1cc(ccn1)CNCc2cnccn2 2230a_100015205668_100016995436 [0,1,0,0,0,1|2,0,0]=4 10240 B17R2.5301 Clc1cc(ccn1)CNCc2cnccn2 270004a_100015205668_100000749867 [0,1,0,0,0,1|2,0,0]=4 10241 B17R2.5301 Clc1cc(ccn1)CNCc2cnccn2 34a_100015205668_100016995436 [0,1,0,0,0,1|2,0,0]=4 10242 B17R2.5301 Clc1cc(ccn1)CNCc2cncnc2 2230a_100011243677_100000764220 [0,1,0,0,0,1|2,0,0]=4 10243 B17R2.5301 Clc1cc(ccn1)CNCc2cncnc2 2230a_100015205668_100015196519 [0,1,0,0,0,1|2,0,0]=4 10244 B17R2.5301 Clc1cc(ccn1)CNCc2cncnc2 270004a_100011243677_100011290808 [0,1,0,0,0,1|2,0,0]=4 10245 B17R2.5301 Clc1cc(ccn1)CNCc2cncnc2 270004a_100015205668_100000749868 [0,1,0,0,0,1|2,0,0]=4 10246 B17R2.5301 Clc1cc(ccn1)CNCc2cncnc2 34a_100015205668_100015196519 [0,1,0,0,0,1|2,0,0]=4 10247 B17R2.5301 Clc1cc(ccn1)COCc2cccnc2 34a_100000748751_100000733263 [0,1,0,0,0,1|2,0,0]=4 10248 B17R2.5301 Clc1cc(ccn1)CSCc2cccnc2 62a_100000741622_100000764220 [0,1,0,0,0,1|2,0,0]=4 10249 B17R2.5301 Clc1cc(ccn1)CSCc2cccnc2 62a_100000764220_100000741622 [0,1,0,0,0,1|2,0,0]=4 10250 B17R2.5301 Clc1cc(ccn1)NN=Cc2cccnc2 4a_100000089018_100000209961 [0,1,0,0,0,1|1,0,1]=4 10251 B17R2.5301 Clc1cc(ccn1)SCCc2cccnc2 62a_100000035001_200011713674 [0,1,0,0,0,1|2,0,0]=4 10252 B17R2.5301 Clc1cc(ccn1)SCCc2cccnc2 62a_200011713674_100000035001 [0,1,0,0,0,1|2,0,0]=4 10253 B17R2.5301 Clc1cc(cnn1)OCCc2ccccc2 34a_200010734679_100000765856 [0,1,0,0,0,1|2,0,0]=4 10254 B17R2.5301 Clc1cccc(c1)C=CCc2ccccc2 271570a_200016263579_100000699651 [0,1,0,0,0,1|2,0,0]=4 10255 B17R2.5301 Clc1cccc(c1)C=NNc2ccccc2 4a_100015195140_100000210801 [0,1,0,0,0,1|1,0,1]=4 10256 B17R2.5301 Clc1cccc(c1)C=NNc2cccnc2 4a_100000728903_100000210801 [0,1,0,0,0,1|1,0,1]=4 10257 B17R2.5301 Clc1cccc(c1)CCNc2ccccc2 34a_100000106764_100011713710 [0,1,0,0,0,1|1,0,0]=3 10258 B17R2.5301 Clc1cccc(c1)CCNc2cccnn2 27a_100000185263_100016991348 [0,1,0,0,0,1|2,0,0]=4 10259 B17R2.5301 Clc1cccc(c1)CCNc2cnccn2 27a_100000185263_100000211759 [0,1,0,0,0,1|2,0,0]=4 10260 B17R2.5301 Clc1cccc(c1)CCOc2ccccc2 34a_100000210340_100011713710 [0,1,0,0,0,1|2,0,0]=4 10261 B17R2.5301 Clc1cccc(c1)CCOc2ccccc2 7a_100000210340_100011713710 [0,1,0,0,0,1|2,0,0]=4 10262 B17R2.5301 Clc1cccc(c1)CCOc2cccnc2 34a_100000210849_100011713710 [0,1,0,0,0,1|1,0,0]=3 10263 B17R2.5301 Clc1cccc(c1)CCOc2cccnc2 7a_100000210849_100011713710 [0,1,0,0,0,1|1,0,0]=3 10264 B17R2.5301 Clc1cccc(c1)CCOc2ccnnc2 34a_100015204005_100011713710 [0,1,0,0,0,1|2,0,0]=4 10265 B17R2.5301 Clc1cccc(c1)CCOc2cncnc2 7a_100000754086_100011713710 [0,1,0,0,0,1|2,0,0]=4 10266 B17R2.5301 Clc1cccc(c1)CCSc2ccccc2 62a_100000719477_100011713710 [0,1,0,0,0,1|2,0,0]=4 10267 B17R2.5301 Clc1cccc(c1)CCSc2ccccc2 62a_100011713710_100000041952 [0,1,0,0,0,1|2,0,0]=4 10268 B17R2.5301 Clc1cccc(c1)CCSc2cccnc2 62a_100000210063_100011713710 [0,1,0,0,0,1|1,0,0]=3 10269 B17R2.5301 Clc1cccc(c1)CCSc2cccnc2 62a_100011713710_100000210063 [0,1,0,0,0,1|1,0,0]=3 10270 B17R2.5301 Clc1cccc(c1)CCSc2cccnn2 62a_100011713710_100016991348 [0,1,0,0,0,1|2,0,0]=4 10271 B17R2.5301 Clc1cccc(c1)CCSc2cccnn2 62a_100016991348_100011713710 [0,1,0,0,0,1|2,0,0]=4 10272 B17R2.5301 Clc1cccc(c1)CCSc2ccnnc2 62a_100000732662_100011713710 [0,1,0,0,0,1|2,0,0]=4 10273 B17R2.5301 Clc1cccc(c1)CCSc2ccnnc2 62a_100011713710_100000732662 [0,1,0,0,0,1|2,0,0]=4 10274 B17R2.5301 Clc1cccc(c1)CCSc2cnccn2 62a_100000211759_100011713710 [0,1,0,0,0,1|2,0,0]=4 10275 B17R2.5301 Clc1cccc(c1)CCSc2cnccn2 62a_100011713710_100000211759 [0,1,0,0,0,1|2,0,0]=4 10276 B17R2.5301 Clc1cccc(c1)CCSc2cncnc2 62a_100011206942_100011713710 [0,1,0,0,0,1|2,0,0]=4 10277 B17R2.5301 Clc1cccc(c1)CCSc2cncnc2 62a_100011713710_100011206942 [0,1,0,0,0,1|2,0,0]=4 10278 B17R2.5301 Clc1cccc(c1)CNCc2ccccc2 207a_100000174878_100015611070 [0,1,0,0,0,1|1,0,0]=3 10279 B17R2.5301 Clc1cccc(c1)CNCc2ccccc2 207a_100015324214_100000210801 [0,1,0,0,0,1|1,0,0]=3 10280 B17R2.5301 Clc1cccc(c1)CNCc2ccccc2 2230a_100000174878_100015291786 [0,1,0,0,0,1|1,0,0]=3 10281 B17R2.5301 Clc1cccc(c1)CNCc2ccccc2 2230a_100015324214_100000181238 [0,1,0,0,0,1|1,0,0]=3 10282 B17R2.5301 Clc1cccc(c1)CNCc2ccccc2 270004a_100000174878_100015611070 [0,1,0,0,0,1|1,0,0]=3 10283 B17R2.5301 Clc1cccc(c1)CNCc2ccccc2 270004a_100015324214_100000210801 [0,1,0,0,0,1|1,0,0]=3 10284 B17R2.5301 Clc1cccc(c1)CNCc2ccccc2 34a_100000174878_100015291786 [0,1,0,0,0,1|1,0,0]=3 10285 B17R2.5301 Clc1cccc(c1)CNCc2ccccc2 34a_100015324214_100000187163 [0,1,0,0,0,1|1,0,0]=3 10286 B17R2.5301 Clc1cccc(c1)CNCc2ccccn2 207a_100000174878_100000209966 [0,1,0,0,0,1|2,0,0]=4 10287 B17R2.5301 Clc1cccc(c1)CNCc2ccccn2 2230a_100000174878_100000721315 [0,1,0,0,0,1|2,0,0]=4 10288 B17R2.5301 Clc1cccc(c1)CNCc2ccccn2 270004a_100000174878_100000209966 [0,1,0,0,0,1|2,0,0]=4 10289 B17R2.5301 Clc1cccc(c1)CNCc2ccccn2 270004a_100000210449_100000210801 [0,1,0,0,0,1|2,0,0]=4 10290 B17R2.5301 Clc1cccc(c1)CNCc2ccccn2 34a_100000174878_100000721315 [0,1,0,0,0,1|2,0,0]=4 10291 B17R2.5301 Clc1cccc(c1)CNCc2cccnc2 207a_100000174878_100000209961 [0,1,0,0,0,1|0,0,0]=2 10292 B17R2.5301 Clc1cccc(c1)CNCc2cccnc2 207a_100000210453_100000210801 [0,1,0,0,0,1|0,0,0]=2 10293 B17R2.5301 Clc1cccc(c1)CNCc2cccnc2 2230a_100000174878_100000741622 [0,1,0,0,0,1|0,0,0]=2 10294 B17R2.5301 Clc1cccc(c1)CNCc2cccnc2 270004a_100000174878_100000209961 [0,1,0,0,0,1|0,0,0]=2 10295 B17R2.5301 Clc1cccc(c1)CNCc2cccnc2 270004a_100000210453_100000210801 [0,1,0,0,0,1|0,0,0]=2 10296 B17R2.5301 Clc1cccc(c1)CNCc2cccnc2 34a_100000174878_100000733263 [0,1,0,0,0,1|0,0,0]=2 10297 B17R2.5301 Clc1cccc(c1)CNCc2cccnn2 2230a_100000174878_100016990269 [0,1,0,0,0,1|1,0,0]=3 10298 B17R2.5301 Clc1cccc(c1)CNCc2cccnn2 2230a_100159270163_100000181238 [0,1,0,0,0,1|1,0,0]=3 10299 B17R2.5301 Clc1cccc(c1)CNCc2cccnn2 34a_100000174878_100016990269 [0,1,0,0,0,1|1,0,0]=3 10300 B17R2.5301 Clc1cccc(c1)CNCc2ccncc2 207a_100000174878_100000186114 [0,1,0,0,0,1|2,0,0]=4 10301 B17R2.5301 Clc1cccc(c1)CNCc2ccncc2 2230a_100000174878_100015193705 [0,1,0,0,0,1|2,0,0]=4 10302 B17R2.5301 Clc1cccc(c1)CNCc2ccnnc2 270004a_100000174878_100011934578 [0,1,0,0,0,1|1,0,0]=3 10303 B17R2.5301 Clc1cccc(c1)CNCc2cnccn2 2230a_100000174878_100016995436 [0,1,0,0,0,1|1,0,0]=3 10304 B17R2.5301 Clc1cccc(c1)CNCc2cnccn2 270004a_100000174878_100000749867 [0,1,0,0,0,1|1,0,0]=3 10305 B17R2.5301 Clc1cccc(c1)CNCc2cnccn2 34a_100000174878_100016995436 [0,1,0,0,0,1|1,0,0]=3 10306 B17R2.5301 Clc1cccc(c1)CNCc2cncnc2 207a_100011243677_100000210801 [0,1,0,0,0,1|1,0,0]=3 10307 B17R2.5301 Clc1cccc(c1)CNCc2cncnc2 2230a_100000174878_100015196519 [0,1,0,0,0,1|1,0,0]=3 10308 B17R2.5301 Clc1cccc(c1)CNCc2cncnc2 2230a_100011243677_100000181238 [0,1,0,0,0,1|1,0,0]=3 10309 B17R2.5301 Clc1cccc(c1)CNCc2cncnc2 270004a_100000174878_100000749868 [0,1,0,0,0,1|1,0,0]=3 10310 B17R2.5301 Clc1cccc(c1)CNCc2cncnc2 270004a_100011243677_100000210801 [0,1,0,0,0,1|1,0,0]=3 10311 B17R2.5301 Clc1cccc(c1)CNCc2cncnc2 34a_100000174878_100015196519 [0,1,0,0,0,1|1,0,0]=3 10312 B17R2.5301 Clc1cccc(c1)COCc2ccccc2 34a_100000210790_100000187163 [0,1,0,0,0,1|2,0,0]=4 10313 B17R2.5301 Clc1cccc(c1)COCc2ccccc2 34a_100000241301_100015291786 [0,1,0,0,0,1|2,0,0]=4 10314 B17R2.5301 Clc1cccc(c1)COCc2ccccc2 7a_100000210790_100000187163 [0,1,0,0,0,1|2,0,0]=4 10315 B17R2.5301 Clc1cccc(c1)COCc2ccccc2 7a_100000241301_100000211182 [0,1,0,0,0,1|2,0,0]=4 10316 B17R2.5301 Clc1cccc(c1)COCc2cccnc2 34a_100000241301_100000733263 [0,1,0,0,0,1|1,0,0]=3 10317 B17R2.5301 Clc1cccc(c1)COCc2cccnc2 7a_100000241301_100000741622 [0,1,0,0,0,1|1,0,0]=3 10318 B17R2.5301 Clc1cccc(c1)COCc2cccnn2 34a_100000241301_100016990269 [0,1,0,0,0,1|2,0,0]=4 10319 B17R2.5301 Clc1cccc(c1)COCc2cccnn2 7a_100000241301_100016990269 [0,1,0,0,0,1|2,0,0]=4 10320 B17R2.5301 Clc1cccc(c1)COCc2cnccn2 34a_100000241301_100016995436 [0,1,0,0,0,1|2,0,0]=4 10321 B17R2.5301 Clc1cccc(c1)COCc2cnccn2 7a_100000241301_100016995436 [0,1,0,0,0,1|2,0,0]=4 10322 B17R2.5301 Clc1cccc(c1)COCc2cncnc2 34a_100000241301_100015196519 [0,1,0,0,0,1|2,0,0]=4 10323 B17R2.5301 Clc1cccc(c1)COCc2cncnc2 7a_100000241301_100015196519 [0,1,0,0,0,1|2,0,0]=4 10324 B17R2.5301 Clc1cccc(c1)CSCc2ccccc2 62a_100000187163_100015291786 [0,1,0,0,0,1|2,0,0]=4 10325 B17R2.5301 Clc1cccc(c1)CSCc2ccccc2 62a_100000211182_100000187163 [0,1,0,0,0,1|2,0,0]=4 10326 B17R2.5301 Clc1cccc(c1)CSCc2cccnc2 62a_100000187163_100000741622 [0,1,0,0,0,1|1,0,0]=3 10327 B17R2.5301 Clc1cccc(c1)CSCc2cccnc2 62a_100000741622_100000187163 [0,1,0,0,0,1|1,0,0]=3 10328 B17R2.5301 Clc1cccc(c1)CSCc2cccnn2 62a_100000187163_100016990269 [0,1,0,0,0,1|2,0,0]=4 10329 B17R2.5301 Clc1cccc(c1)CSCc2cccnn2 62a_100016990269_100000187163 [0,1,0,0,0,1|2,0,0]=4 10330 B17R2.5301 Clc1cccc(c1)CSCc2cnccn2 62a_100000187163_100016995436 [0,1,0,0,0,1|2,0,0]=4 10331 B17R2.5301 Clc1cccc(c1)CSCc2cnccn2 62a_100016995436_100000187163 [0,1,0,0,0,1|2,0,0]=4 10332 B17R2.5301 Clc1cccc(c1)CSCc2cncnc2 62a_100000187163_100015196519 [0,1,0,0,0,1|2,0,0]=4 10333 B17R2.5301 Clc1cccc(c1)CSCc2cncnc2 62a_100015196519_100000187163 [0,1,0,0,0,1|2,0,0]=4 10334 B17R2.5301 Clc1cccc(c1)NCCc2ccccc2 34a_100000185859_100000765856 [0,1,0,0,0,1|1,0,0]=3 10335 B17R2.5301 Clc1cccc(c1)NN=Cc2ccccc2 4a_100000184277_100015611070 [0,1,0,0,0,1|1,0,1]=4 10336 B17R2.5301 Clc1cccc(c1)NN=Cc2cccnc2 4a_100000184277_100000209961 [0,1,0,0,0,1|0,0,1]=3 10337 B17R2.5301 Clc1cccc(c1)NN=Cc2ccnnc2 4a_100000184277_100011934578 [0,1,0,0,0,1|1,0,1]=4 10338 B17R2.5301 Clc1cccc(c1)NN=Cc2cnccn2 4a_100000184277_100000749867 [0,1,0,0,0,1|1,0,1]=4 10339 B17R2.5301 Clc1cccc(c1)NN=Cc2cncnc2 4a_100000184277_100000749868 [0,1,0,0,0,1|1,0,1]=4 10340 B17R2.5301 Clc1cccc(c1)OCCc2ccccc2 34a_100000210295_100000765856 [0,1,0,0,0,1|2,0,0]=4 10341 B17R2.5301 Clc1cccc(c1)OCCc2ccccc2 7a_100000210295_100000765856 [0,1,0,0,0,1|2,0,0]=4 10342 B17R2.5301 Clc1cccc(c1)OCCc2cccnc2 7a_100000210295_200011713674 [0,1,0,0,0,1|1,0,0]=3 10343 B17R2.5301 Clc1cccc(c1)SCCc2ccccc2 62a_100000699651_100011218657 [0,1,0,0,0,1|2,0,0]=4 10344 B17R2.5301 Clc1cccc(c1)SCCc2ccccc2 62a_100000765856_100000699651 [0,1,0,0,0,1|2,0,0]=4 10345 B17R2.5301 Clc1cccc(c1)SCCc2cccnc2 62a_100000699651_200011713674 [0,1,0,0,0,1|1,0,0]=3 10346 B17R2.5301 Clc1cccc(c1)SCCc2cccnc2 62a_200011713674_100000699651 [0,1,0,0,0,1|1,0,0]=3 10347 B17R2.5301 Clc1cccc(c1)SCSc2ccccc2 62a_100000699651_100011218342 [0,1,0,0,0,1|2,0,0]=4 10348 B17R2.5301 Clc1cccc(c1)SCSc2ccccc2 62a_100011218342_100000699651 [0,1,0,0,0,1|2,0,0]=4 10349 B17R2.5301 Clc1cccc(n1)CNCc2ccccc2 2230a_100015324214_100000086093 [0,1,0,0,0,1|2,0,0]=4 10350 B17R2.5301 Clc1cccc(n1)CNCc2ccccc2 2230a_100016990191_100015291786 [0,1,0,0,0,1|2,0,0]=4 10351 B17R2.5301 Clc1cccc(n1)CNCc2ccccc2 270004a_100015324214_100011361687 [0,1,0,0,0,1|2,0,0]=4 10352 B17R2.5301 Clc1cccc(n1)CNCc2ccccc2 34a_100015324214_100000086093 [0,1,0,0,0,1|2,0,0]=4 10353 B17R2.5301 Clc1cccc(n1)CNCc2cccnc2 2230a_100016990191_100000741622 [0,1,0,0,0,1|1,0,0]=3 10354 B17R2.5301 Clc1cccc(n1)CNCc2cccnc2 270004a_100000210453_100011361687 [0,1,0,0,0,1|1,0,0]=3 10355 B17R2.5301 Clc1cccc(n1)CNCc2cccnn2 2230a_100016990191_100016990269 [0,1,0,0,0,1|2,0,0]=4 10356 B17R2.5301 Clc1cccc(n1)CNCc2cccnn2 2230a_100159270163_100000086093 [0,1,0,0,0,1|2,0,0]=4 10357 B17R2.5301 Clc1cccc(n1)CNCc2cnccn2 2230a_100016990191_100016995436 [0,1,0,0,0,1|2,0,0]=4 10358 B17R2.5301 Clc1cccc(n1)CNCc2cncnc2 2230a_100011243677_100000086093 [0,1,0,0,0,1|2,0,0]=4 10359 B17R2.5301 Clc1cccc(n1)CNCc2cncnc2 2230a_100016990191_100015196519 [0,1,0,0,0,1|2,0,0]=4 10360 B17R2.5301 Clc1cccc(n1)CNCc2cncnc2 270004a_100011243677_100011361687 [0,1,0,0,0,1|2,0,0]=4 10361 B17R2.5301 Clc1cccc(n1)COCc2cccnc2 34a_100011998359_100000733263 [0,1,0,0,0,1|2,0,0]=4 10362 B17R2.5301 Clc1cccc(n1)CSCc2cccnc2 62a_100000086093_100000741622 [0,1,0,0,0,1|2,0,0]=4 10363 B17R2.5301 Clc1cccc(n1)CSCc2cccnc2 62a_100000741622_100000086093 [0,1,0,0,0,1|2,0,0]=4 10364 B17R2.5301 Clc1cccc(n1)NN=Cc2cccnc2 4a_100102524919_100000209961 [0,1,0,0,0,1|1,0,1]=4 10365 B17R2.5301 Clc1cccc(n1)SCCc2cccnc2 62a_100000051397_200011713674 [0,1,0,0,0,1|2,0,0]=4 10366 B17R2.5301 Clc1cccc(n1)SCCc2cccnc2 62a_200011713674_100000051397 [0,1,0,0,0,1|2,0,0]=4 10367 B17R2.5301 Clc1ccnc(c1)CNCc2ccccc2 2230a_100015324214_100016988179 [0,1,0,0,0,1|2,0,0]=4 10368 B17R2.5301 Clc1ccnc(c1)CNCc2ccccc2 270004a_100015324214_100011998288 [0,1,0,0,0,1|2,0,0]=4 10369 B17R2.5301 Clc1ccnc(c1)CNCc2ccccc2 34a_100015324214_100016988179 [0,1,0,0,0,1|2,0,0]=4 10370 B17R2.5301 Clc1ccnc(c1)CNCc2cccnc2 270004a_100000210453_100011998288 [0,1,0,0,0,1|1,0,0]=3 10371 B17R2.5301 Clc1ccnc(c1)CNCc2cccnn2 2230a_100159270163_100016988179 [0,1,0,0,0,1|2,0,0]=4 10372 B17R2.5301 Clc1ccnc(c1)CNCc2cncnc2 2230a_100011243677_100016988179 [0,1,0,0,0,1|2,0,0]=4 10373 B17R2.5301 Clc1ccnc(c1)CNCc2cncnc2 270004a_100011243677_100011998288 [0,1,0,0,0,1|2,0,0]=4 10374 B17R2.5301 Clc1ccnc(c1)COCc2cccnc2 34a_100000748867_100000733263 [0,1,0,0,0,1|2,0,0]=4 10375 B17R2.5301 Clc1ccnc(c1)CSCc2cccnc2 62a_100000741622_100016988179 [0,1,0,0,0,1|2,0,0]=4 10376 B17R2.5301 Clc1ccnc(c1)CSCc2cccnc2 62a_100016988179_100000741622 [0,1,0,0,0,1|2,0,0]=4 10377 B17R2.5301 Clc1ccnc(c1)NN=Cc2cccnc2 4a_100102524961_100000209961 [0,1,0,0,0,1|1,0,1]=4 10378 B17R2.5301 Clc1ccnc(c1)SCCc2cccnc2 62a_100010167805_200011713674 [0,1,0,0,0,1|2,0,0]=4 10379 B17R2.5301 Clc1ccnc(c1)SCCc2cccnc2 62a_200011713674_100010167805 [0,1,0,0,0,1|2,0,0]=4 10380 B17R2.5301 Clc1cncc(c1)C=CCc2ccccc2 271570a_200016263579_100000049639 [0,1,0,0,0,1|1,0,1]=4 10381 B17R2.5301 Clc1cncc(c1)C=NNc2ccccc2 4a_100015195140_100000088910 [0,1,0,0,0,1|0,0,1]=3 10382 B17R2.5301 Clc1cncc(c1)C=NNc2ccccn2 4a_100000183288_100000088910 [0,1,0,0,0,1|1,0,1]=4 10383 B17R2.5301 Clc1cncc(c1)C=NNc2cccnc2 4a_100000728903_100000088910 [0,1,0,0,0,1|1,0,1]=4 10384 B17R2.5301 Clc1cncc(c1)C=NNc2ccncc2 4a_100000698918_100000088910 [0,1,0,0,0,1|1,0,1]=4 10385 B17R2.5301 Clc1cncc(c1)CNCc2ccccc2 207a_100015324214_100000088910 [0,1,0,0,0,1|0,0,0]=2 10386 B17R2.5301 Clc1cncc(c1)CNCc2ccccc2 207a_200020614424_100015611070 [0,1,0,0,0,1|0,0,0]=2 10387 B17R2.5301 Clc1cncc(c1)CNCc2ccccc2 2230a_100015324214_100016992070 [0,1,0,0,0,1|0,0,0]=2 10388 B17R2.5301 Clc1cncc(c1)CNCc2ccccc2 2230a_200020614424_100015291786 [0,1,0,0,0,1|0,0,0]=2 10389 B17R2.5301 Clc1cncc(c1)CNCc2ccccc2 270004a_100015324214_100000088910 [0,1,0,0,0,1|0,0,0]=2 10390 B17R2.5301 Clc1cncc(c1)CNCc2ccccc2 270004a_200020614424_100015611070 [0,1,0,0,0,1|0,0,0]=2 10391 B17R2.5301 Clc1cncc(c1)CNCc2ccccc2 34a_100015324214_100016992070 [0,1,0,0,0,1|0,0,0]=2 10392 B17R2.5301 Clc1cncc(c1)CNCc2ccccn2 207a_200020614424_100000209966 [0,1,0,0,0,1|1,0,0]=3 10393 B17R2.5301 Clc1cncc(c1)CNCc2ccccn2 2230a_200020614424_100000721315 [0,1,0,0,0,1|1,0,0]=3 10394 B17R2.5301 Clc1cncc(c1)CNCc2ccccn2 270004a_100000210449_100000088910 [0,1,0,0,0,1|1,0,0]=3 10395 B17R2.5301 Clc1cncc(c1)CNCc2ccccn2 270004a_200020614424_100000209966 [0,1,0,0,0,1|1,0,0]=3 10396 B17R2.5301 Clc1cncc(c1)CNCc2cccnc2 207a_100000210453_100000088910 [0,1,0,0,0,1|1,0,0]=3 10397 B17R2.5301 Clc1cncc(c1)CNCc2cccnc2 207a_200020614424_100000209961 [0,1,0,0,0,1|1,0,0]=3 10398 B17R2.5301 Clc1cncc(c1)CNCc2cccnc2 2230a_200020614424_100000741622 [0,1,0,0,0,1|1,0,0]=3 10399 B17R2.5301 Clc1cncc(c1)CNCc2cccnc2 270004a_100000210453_100000088910 [0,1,0,0,0,1|1,0,0]=3 10400 B17R2.5301 Clc1cncc(c1)CNCc2cccnc2 270004a_200020614424_100000209961 [0,1,0,0,0,1|1,0,0]=3 10401 B17R2.5301 Clc1cncc(c1)CNCc2cccnn2 2230a_100159270163_100016992070 [0,1,0,0,0,1|2,0,0]=4 10402 B17R2.5301 Clc1cncc(c1)CNCc2cccnn2 2230a_200020614424_100016990269 [0,1,0,0,0,1|2,0,0]=4 10403 B17R2.5301 Clc1cncc(c1)CNCc2ccncc2 207a_200020614424_100000186114 [0,1,0,0,0,1|1,0,0]=3 10404 B17R2.5301 Clc1cncc(c1)CNCc2ccncc2 2230a_200020614424_100015193705 [0,1,0,0,0,1|1,0,0]=3 10405 B17R2.5301 Clc1cncc(c1)CNCc2ccnnc2 270004a_200020614424_100011934578 [0,1,0,0,0,1|2,0,0]=4 10406 B17R2.5301 Clc1cncc(c1)CNCc2cnccn2 2230a_200020614424_100016995436 [0,1,0,0,0,1|2,0,0]=4 10407 B17R2.5301 Clc1cncc(c1)CNCc2cnccn2 270004a_200020614424_100000749867 [0,1,0,0,0,1|2,0,0]=4 10408 B17R2.5301 Clc1cncc(c1)CNCc2cncnc2 207a_100011243677_100000088910 [0,1,0,0,0,1|2,0,0]=4 10409 B17R2.5301 Clc1cncc(c1)CNCc2cncnc2 2230a_100011243677_100016992070 [0,1,0,0,0,1|2,0,0]=4 10410 B17R2.5301 Clc1cncc(c1)CNCc2cncnc2 2230a_200020614424_100015196519 [0,1,0,0,0,1|2,0,0]=4 10411 B17R2.5301 Clc1cncc(c1)CNCc2cncnc2 270004a_100011243677_100000088910 [0,1,0,0,0,1|2,0,0]=4 10412 B17R2.5301 Clc1cncc(c1)CNCc2cncnc2 270004a_200020614424_100000749868 [0,1,0,0,0,1|2,0,0]=4 10413 B17R2.5301 Clc1cncc(c1)CNCc2ncccn2 2230a_200020614424_100000703007 [0,1,0,0,0,1|2,0,0]=4 10414 B17R2.5301 Clc1cncc(c1)CNCc2ncccn2 270004a_200020614424_100011532527 [0,1,0,0,0,1|2,0,0]=4 10415 B17R2.5301 Clc1cncc(c1)COCc2ccccc2 34a_100000092867_100015291786 [0,1,0,0,0,1|1,0,0]=3 10416 B17R2.5301 Clc1cncc(c1)COCc2ccccc2 34a_100000210790_100016992070 [0,1,0,0,0,1|1,0,0]=3 10417 B17R2.5301 Clc1cncc(c1)COCc2ccccc2 7a_100000092867_100000211182 [0,1,0,0,0,1|1,0,0]=3 10418 B17R2.5301 Clc1cncc(c1)COCc2ccccc2 7a_100000210790_100016992070 [0,1,0,0,0,1|1,0,0]=3 10419 B17R2.5301 Clc1cncc(c1)COCc2ccccn2 34a_100000092867_100000721315 [0,1,0,0,0,1|2,0,0]=4 10420 B17R2.5301 Clc1cncc(c1)COCc2ccccn2 7a_100000092867_100000721315 [0,1,0,0,0,1|2,0,0]=4 10421 B17R2.5301 Clc1cncc(c1)COCc2cccnc2 34a_100000092867_100000733263 [0,1,0,0,0,1|2,0,0]=4 10422 B17R2.5301 Clc1cncc(c1)COCc2cccnc2 7a_100000092867_100000741622 [0,1,0,0,0,1|2,0,0]=4 10423 B17R2.5301 Clc1cncc(c1)COCc2ccncc2 7a_100000092867_100015193705 [0,1,0,0,0,1|2,0,0]=4 10424 B17R2.5301 Clc1cncc(c1)CSCc2ccccc2 62a_100000211182_100016992070 [0,1,0,0,0,1|1,0,0]=3 10425 B17R2.5301 Clc1cncc(c1)CSCc2ccccc2 62a_100016992070_100015291786 [0,1,0,0,0,1|1,0,0]=3 10426 B17R2.5301 Clc1cncc(c1)CSCc2ccccn2 62a_100000721315_100016992070 [0,1,0,0,0,1|2,0,0]=4 10427 B17R2.5301 Clc1cncc(c1)CSCc2ccccn2 62a_100016992070_100000721315 [0,1,0,0,0,1|2,0,0]=4 10428 B17R2.5301 Clc1cncc(c1)CSCc2cccnc2 62a_100000741622_100016992070 [0,1,0,0,0,1|2,0,0]=4 10429 B17R2.5301 Clc1cncc(c1)CSCc2cccnc2 62a_100016992070_100000741622 [0,1,0,0,0,1|2,0,0]=4 10430 B17R2.5301 Clc1cncc(c1)CSCc2ccncc2 62a_100015193705_100016992070 [0,1,0,0,0,1|2,0,0]=4 10431 B17R2.5301 Clc1cncc(c1)CSCc2ccncc2 62a_100016992070_100015193705 [0,1,0,0,0,1|2,0,0]=4 10432 B17R2.5301 Clc1cncc(c1)OCCc2ccccc2 7a_100000032511_100000765856 [0,1,0,0,0,1|1,0,0]=3 10433 B17R2.5301 Clc1cncc(c1)OCCc2ccccn2 7a_100000032511_100015183660 [0,1,0,0,0,1|2,0,0]=4 10434 B17R2.5301 Clc1cncc(c1)OCCc2cccnc2 7a_100000032511_200011713674 [0,1,0,0,0,1|2,0,0]=4 10435 B17R2.5301 Clc1cncc(c1)OCCc2ccncc2 7a_100000032511_100000723409 [0,1,0,0,0,1|2,0,0]=4 10436 B17R2.5301 Clc1cncc(c1)SCCc2ccccc2 62a_100000049639_100011218657 [0,1,0,0,0,1|1,0,0]=3 10437 B17R2.5301 Clc1cncc(c1)SCCc2ccccc2 62a_100000765856_100000049639 [0,1,0,0,0,1|1,0,0]=3 10438 B17R2.5301 Clc1cncc(c1)SCCc2ccccn2 62a_100000049639_100015183660 [0,1,0,0,0,1|2,0,0]=4 10439 B17R2.5301 Clc1cncc(c1)SCCc2ccccn2 62a_100015183660_100000049639 [0,1,0,0,0,1|2,0,0]=4 10440 B17R2.5301 Clc1cncc(c1)SCCc2cccnc2 62a_100000049639_200011713674 [0,1,0,0,0,1|2,0,0]=4 10441 B17R2.5301 Clc1cncc(c1)SCCc2cccnc2 62a_200011713674_100000049639 [0,1,0,0,0,1|2,0,0]=4 10442 B17R2.5301 Clc1cncc(c1)SCCc2ccncc2 62a_100000049639_100000723409 [0,1,0,0,0,1|2,0,0]=4 10443 B17R2.5301 Clc1cncc(c1)SCCc2ccncc2 62a_100000723409_100000049639 [0,1,0,0,0,1|2,0,0]=4 10444 B17R2.5301 Clc1cncc(c1)SCSc2ccccc2 62a_100000049639_100011218342 [0,1,0,0,0,1|1,0,0]=3 10445 B17R2.5301 Clc1cncc(c1)SCSc2ccccc2 62a_100011218342_100000049639 [0,1,0,0,0,1|1,0,0]=3 10446 B17R2.5301 Clc1cncc(n1)NCCc2ccccc2 27a_100000106460_100010892449 [0,1,0,0,0,1|2,0,0]=4 10447 B17R2.5301 Clc1cncc(n1)NCCc2cccnc2 27a_100000736294_100010892449 [0,1,0,0,0,1|2,0,0]=4 10448 B17R2.5301 Clc1cncc(n1)SCCc2ccccc2 62a_100000765856_100010892449 [0,1,0,0,0,1|2,0,0]=4 10449 B17R2.5301 Clc1cncc(n1)SCCc2ccccc2 62a_100010892449_100011218657 [0,1,0,0,0,1|2,0,0]=4 10450 B17R2.5301 Clc1cncc(n1)SCSc2ccccc2 62a_100010892449_100011218342 [0,1,0,0,0,1|2,0,0]=4 10451 B17R2.5301 Clc1cncc(n1)SCSc2ccccc2 62a_100011218342_100010892449 [0,1,0,0,0,1|2,0,0]=4 10452 B17R2.5301 Fc1cc(ccn1)CNCc2ccccc2 2230a_100015188774_100015291786 [0,1,0,0,0,1|2,0,0]=4 10453 B17R2.5301 Fc1cc(ccn1)CNCc2ccccc2 270004a_100015188774_100015611070 [0,1,0,0,0,1|2,0,0]=4 10454 B17R2.5301 Fc1cc(ccn1)CNCc2ccccc2 270004a_100015324214_100000068331 [0,1,0,0,0,1|2,0,0]=4 10455 B17R2.5301 Fc1cc(ccn1)CNCc2ccccc2 34a_100015188774_100015291786 [0,1,0,0,0,1|2,0,0]=4 10456 B17R2.5301 Fc1cc(ccn1)CNCc2cccnc2 2230a_100015188774_100000741622 [0,1,0,0,0,1|1,0,0]=3 10457 B17R2.5301 Fc1cc(ccn1)CNCc2cccnc2 270004a_100000210453_100000068331 [0,1,0,0,0,1|1,0,0]=3 10458 B17R2.5301 Fc1cc(ccn1)CNCc2cccnc2 270004a_100015188774_100000209961 [0,1,0,0,0,1|1,0,0]=3 10459 B17R2.5301 Fc1cc(ccn1)CNCc2cccnc2 34a_100015188774_100000733263 [0,1,0,0,0,1|1,0,0]=3 10460 B17R2.5301 Fc1cc(ccn1)CNCc2cccnn2 2230a_100015188774_100016990269 [0,1,0,0,0,1|2,0,0]=4 10461 B17R2.5301 Fc1cc(ccn1)CNCc2cccnn2 34a_100015188774_100016990269 [0,1,0,0,0,1|2,0,0]=4 10462 B17R2.5301 Fc1cc(ccn1)CNCc2ccnnc2 270004a_100015188774_100011934578 [0,1,0,0,0,1|2,0,0]=4 10463 B17R2.5301 Fc1cc(ccn1)CNCc2cnccn2 2230a_100015188774_100016995436 [0,1,0,0,0,1|2,0,0]=4 10464 B17R2.5301 Fc1cc(ccn1)CNCc2cnccn2 270004a_100015188774_100000749867 [0,1,0,0,0,1|2,0,0]=4 10465 B17R2.5301 Fc1cc(ccn1)CNCc2cnccn2 34a_100015188774_100016995436 [0,1,0,0,0,1|2,0,0]=4 10466 B17R2.5301 Fc1cc(ccn1)CNCc2cncnc2 2230a_100015188774_100015196519 [0,1,0,0,0,1|2,0,0]=4 10467 B17R2.5301 Fc1cc(ccn1)CNCc2cncnc2 270004a_100011243677_100000068331 [0,1,0,0,0,1|2,0,0]=4 10468 B17R2.5301 Fc1cc(ccn1)CNCc2cncnc2 270004a_100015188774_100000749868 [0,1,0,0,0,1|2,0,0]=4 10469 B17R2.5301 Fc1cc(ccn1)CNCc2cncnc2 34a_100015188774_100015196519 [0,1,0,0,0,1|2,0,0]=4 10470 B17R2.5301 Fc1cc(ccn1)COCc2cccnc2 34a_100000082451_100000733263 [0,1,0,0,0,1|2,0,0]=4 10471 B17R2.5301 Fc1cc(ccn1)NCCc2ccccc2 27a_100000106460_100009816116 [0,1,0,0,0,1|2,0,0]=4 10472 B17R2.5301 Fc1cc(ccn1)NCCc2cccnc2 27a_100000736294_100009816116 [0,1,0,0,0,1|1,0,0]=3 10473 B17R2.5301 Fc1cc(ccn1)NCCc2cnccn2 27a_100000723456_100009816116 [0,1,0,0,0,1|2,0,0]=4 10474 B17R2.5301 Fc1cc(ccn1)SCCc2cccnc2 62a_100009816116_200011713674 [0,1,0,0,0,1|2,0,0]=4 10475 B17R2.5301 Fc1cc(ccn1)SCCc2cccnc2 62a_200011713674_100009816116 [0,1,0,0,0,1|2,0,0]=4 10476 B17R2.5301 Fc1cc(ncn1)NCCc2cccnc2 27a_100000736294_200009880791 [0,1,0,0,0,1|2,0,0]=4 10477 B17R2.5301 Fc1cccc(c1)C=CCc2ccccc2 271570a_200016263579_100000685547 [0,1,0,0,0,1|2,0,0]=4 10478 B17R2.5301 Fc1cccc(c1)C=NNc2ccccc2 4a_100015195140_100000210812 [0,1,0,0,0,1|1,0,1]=4 10479 B17R2.5301 Fc1cccc(c1)C=NNc2cccnc2 4a_100000728903_100000210812 [0,1,0,0,0,1|1,0,1]=4 10480 B17R2.5301 Fc1cccc(c1)CCNc2ccccc2 34a_100000106764_100011217235 [0,1,0,0,0,1|1,0,0]=3 10481 B17R2.5301 Fc1cccc(c1)CCNc2cccnn2 27a_100000205154_100016991348 [0,1,0,0,0,1|2,0,0]=4 10482 B17R2.5301 Fc1cccc(c1)CCNc2cnccn2 27a_100000205154_100000211759 [0,1,0,0,0,1|2,0,0]=4 10483 B17R2.5301 Fc1cccc(c1)CCOc2ccccc2 34a_100000210340_100011217235 [0,1,0,0,0,1|2,0,0]=4 10484 B17R2.5301 Fc1cccc(c1)CCOc2ccccc2 7a_100000210340_100011217235 [0,1,0,0,0,1|2,0,0]=4 10485 B17R2.5301 Fc1cccc(c1)CCOc2cccnc2 34a_100000210849_100011217235 [0,1,0,0,0,1|1,0,0]=3 10486 B17R2.5301 Fc1cccc(c1)CCOc2cccnc2 7a_100000210849_100011217235 [0,1,0,0,0,1|1,0,0]=3 10487 B17R2.5301 Fc1cccc(c1)CCOc2ccnnc2 34a_100015204005_100011217235 [0,1,0,0,0,1|2,0,0]=4 10488 B17R2.5301 Fc1cccc(c1)CCOc2cncnc2 7a_100000754086_100011217235 [0,1,0,0,0,1|2,0,0]=4 10489 B17R2.5301 Fc1cccc(c1)CCSc2ccccc2 62a_100000719477_100011217235 [0,1,0,0,0,1|2,0,0]=4 10490 B17R2.5301 Fc1cccc(c1)CCSc2ccccc2 62a_100011217235_100000041952 [0,1,0,0,0,1|2,0,0]=4 10491 B17R2.5301 Fc1cccc(c1)CCSc2cccnc2 62a_100000210063_100011217235 [0,1,0,0,0,1|1,0,0]=3 10492 B17R2.5301 Fc1cccc(c1)CCSc2cccnc2 62a_100011217235_100000210063 [0,1,0,0,0,1|1,0,0]=3 10493 B17R2.5301 Fc1cccc(c1)CCSc2cccnn2 62a_100011217235_100016991348 [0,1,0,0,0,1|2,0,0]=4 10494 B17R2.5301 Fc1cccc(c1)CCSc2cccnn2 62a_100016991348_100011217235 [0,1,0,0,0,1|2,0,0]=4 10495 B17R2.5301 Fc1cccc(c1)CCSc2ccnnc2 62a_100000732662_100011217235 [0,1,0,0,0,1|2,0,0]=4 10496 B17R2.5301 Fc1cccc(c1)CCSc2ccnnc2 62a_100011217235_100000732662 [0,1,0,0,0,1|2,0,0]=4 10497 B17R2.5301 Fc1cccc(c1)CCSc2cnccn2 62a_100000211759_100011217235 [0,1,0,0,0,1|2,0,0]=4 10498 B17R2.5301 Fc1cccc(c1)CCSc2cnccn2 62a_100011217235_100000211759 [0,1,0,0,0,1|2,0,0]=4 10499 B17R2.5301 Fc1cccc(c1)CCSc2cncnc2 62a_100011206942_100011217235 [0,1,0,0,0,1|2,0,0]=4 10500 B17R2.5301 Fc1cccc(c1)CCSc2cncnc2 62a_100011217235_100011206942 [0,1,0,0,0,1|2,0,0]=4 10501 B17R2.5301 Fc1cccc(c1)CNCc2ccccc2 207a_100000174948_100015611070 [0,1,0,0,0,1|1,0,0]=3 10502 B17R2.5301 Fc1cccc(c1)CNCc2ccccc2 207a_100015324214_100000210812 [0,1,0,0,0,1|1,0,0]=3 10503 B17R2.5301 Fc1cccc(c1)CNCc2ccccc2 2230a_100000174948_100015291786 [0,1,0,0,0,1|1,0,0]=3 10504 B17R2.5301 Fc1cccc(c1)CNCc2ccccc2 2230a_100015324214_100000230114 [0,1,0,0,0,1|1,0,0]=3 10505 B17R2.5301 Fc1cccc(c1)CNCc2ccccc2 270004a_100000174948_100015611070 [0,1,0,0,0,1|1,0,0]=3 10506 B17R2.5301 Fc1cccc(c1)CNCc2ccccc2 270004a_100015324214_100000210812 [0,1,0,0,0,1|1,0,0]=3 10507 B17R2.5301 Fc1cccc(c1)CNCc2ccccc2 34a_100000174948_100015291786 [0,1,0,0,0,1|1,0,0]=3 10508 B17R2.5301 Fc1cccc(c1)CNCc2ccccc2 34a_100015324214_100000187166 [0,1,0,0,0,1|1,0,0]=3 10509 B17R2.5301 Fc1cccc(c1)CNCc2ccccn2 207a_100000174948_100000209966 [0,1,0,0,0,1|2,0,0]=4 10510 B17R2.5301 Fc1cccc(c1)CNCc2ccccn2 2230a_100000174948_100000721315 [0,1,0,0,0,1|2,0,0]=4 10511 B17R2.5301 Fc1cccc(c1)CNCc2ccccn2 270004a_100000174948_100000209966 [0,1,0,0,0,1|2,0,0]=4 10512 B17R2.5301 Fc1cccc(c1)CNCc2ccccn2 270004a_100000210449_100000210812 [0,1,0,0,0,1|2,0,0]=4 10513 B17R2.5301 Fc1cccc(c1)CNCc2ccccn2 34a_100000174948_100000721315 [0,1,0,0,0,1|2,0,0]=4 10514 B17R2.5301 Fc1cccc(c1)CNCc2cccnc2 207a_100000174948_100000209961 [0,1,0,0,0,1|0,0,0]=2 10515 B17R2.5301 Fc1cccc(c1)CNCc2cccnc2 207a_100000210453_100000210812 [0,1,0,0,0,1|0,0,0]=2 10516 B17R2.5301 Fc1cccc(c1)CNCc2cccnc2 2230a_100000174948_100000741622 [0,1,0,0,0,1|0,0,0]=2 10517 B17R2.5301 Fc1cccc(c1)CNCc2cccnc2 270004a_100000174948_100000209961 [0,1,0,0,0,1|0,0,0]=2 10518 B17R2.5301 Fc1cccc(c1)CNCc2cccnc2 270004a_100000210453_100000210812 [0,1,0,0,0,1|0,0,0]=2 10519 B17R2.5301 Fc1cccc(c1)CNCc2cccnc2 34a_100000174948_100000733263 [0,1,0,0,0,1|0,0,0]=2 10520 B17R2.5301 Fc1cccc(c1)CNCc2cccnn2 2230a_100000174948_100016990269 [0,1,0,0,0,1|1,0,0]=3 10521 B17R2.5301 Fc1cccc(c1)CNCc2cccnn2 2230a_100159270163_100000230114 [0,1,0,0,0,1|1,0,0]=3 10522 B17R2.5301 Fc1cccc(c1)CNCc2cccnn2 34a_100000174948_100016990269 [0,1,0,0,0,1|1,0,0]=3 10523 B17R2.5301 Fc1cccc(c1)CNCc2ccncc2 207a_100000174948_100000186114 [0,1,0,0,0,1|2,0,0]=4 10524 B17R2.5301 Fc1cccc(c1)CNCc2ccncc2 2230a_100000174948_100015193705 [0,1,0,0,0,1|2,0,0]=4 10525 B17R2.5301 Fc1cccc(c1)CNCc2ccnnc2 270004a_100000174948_100011934578 [0,1,0,0,0,1|1,0,0]=3 10526 B17R2.5301 Fc1cccc(c1)CNCc2cnccn2 2230a_100000174948_100016995436 [0,1,0,0,0,1|1,0,0]=3 10527 B17R2.5301 Fc1cccc(c1)CNCc2cnccn2 270004a_100000174948_100000749867 [0,1,0,0,0,1|1,0,0]=3 10528 B17R2.5301 Fc1cccc(c1)CNCc2cnccn2 34a_100000174948_100016995436 [0,1,0,0,0,1|1,0,0]=3 10529 B17R2.5301 Fc1cccc(c1)CNCc2cncnc2 207a_100011243677_100000210812 [0,1,0,0,0,1|1,0,0]=3 10530 B17R2.5301 Fc1cccc(c1)CNCc2cncnc2 2230a_100000174948_100015196519 [0,1,0,0,0,1|1,0,0]=3 10531 B17R2.5301 Fc1cccc(c1)CNCc2cncnc2 2230a_100011243677_100000230114 [0,1,0,0,0,1|1,0,0]=3 10532 B17R2.5301 Fc1cccc(c1)CNCc2cncnc2 270004a_100000174948_100000749868 [0,1,0,0,0,1|1,0,0]=3 10533 B17R2.5301 Fc1cccc(c1)CNCc2cncnc2 270004a_100011243677_100000210812 [0,1,0,0,0,1|1,0,0]=3 10534 B17R2.5301 Fc1cccc(c1)CNCc2cncnc2 34a_100000174948_100015196519 [0,1,0,0,0,1|1,0,0]=3 10535 B17R2.5301 Fc1cccc(c1)COCc2ccccc2 34a_100000210790_100000187166 [0,1,0,0,0,1|2,0,0]=4 10536 B17R2.5301 Fc1cccc(c1)COCc2ccccc2 34a_100000210976_100015291786 [0,1,0,0,0,1|2,0,0]=4 10537 B17R2.5301 Fc1cccc(c1)COCc2ccccc2 7a_100000210790_100000230114 [0,1,0,0,0,1|2,0,0]=4 10538 B17R2.5301 Fc1cccc(c1)COCc2ccccc2 7a_100000210976_100000211182 [0,1,0,0,0,1|2,0,0]=4 10539 B17R2.5301 Fc1cccc(c1)COCc2cccnc2 34a_100000210976_100000733263 [0,1,0,0,0,1|1,0,0]=3 10540 B17R2.5301 Fc1cccc(c1)COCc2cccnc2 7a_100000210976_100000741622 [0,1,0,0,0,1|1,0,0]=3 10541 B17R2.5301 Fc1cccc(c1)COCc2cccnn2 34a_100000210976_100016990269 [0,1,0,0,0,1|2,0,0]=4 10542 B17R2.5301 Fc1cccc(c1)COCc2cccnn2 7a_100000210976_100016990269 [0,1,0,0,0,1|2,0,0]=4 10543 B17R2.5301 Fc1cccc(c1)COCc2cnccn2 34a_100000210976_100016995436 [0,1,0,0,0,1|2,0,0]=4 10544 B17R2.5301 Fc1cccc(c1)COCc2cnccn2 7a_100000210976_100016995436 [0,1,0,0,0,1|2,0,0]=4 10545 B17R2.5301 Fc1cccc(c1)COCc2cncnc2 34a_100000210976_100015196519 [0,1,0,0,0,1|2,0,0]=4 10546 B17R2.5301 Fc1cccc(c1)COCc2cncnc2 7a_100000210976_100015196519 [0,1,0,0,0,1|2,0,0]=4 10547 B17R2.5301 Fc1cccc(c1)CSCc2ccccc2 62a_100000211182_100000230114 [0,1,0,0,0,1|2,0,0]=4 10548 B17R2.5301 Fc1cccc(c1)CSCc2ccccc2 62a_100000230114_100015291786 [0,1,0,0,0,1|2,0,0]=4 10549 B17R2.5301 Fc1cccc(c1)CSCc2cccnc2 62a_100000230114_100000741622 [0,1,0,0,0,1|1,0,0]=3 10550 B17R2.5301 Fc1cccc(c1)CSCc2cccnc2 62a_100000741622_100000230114 [0,1,0,0,0,1|1,0,0]=3 10551 B17R2.5301 Fc1cccc(c1)CSCc2cccnn2 62a_100000230114_100016990269 [0,1,0,0,0,1|2,0,0]=4 10552 B17R2.5301 Fc1cccc(c1)CSCc2cccnn2 62a_100016990269_100000230114 [0,1,0,0,0,1|2,0,0]=4 10553 B17R2.5301 Fc1cccc(c1)CSCc2cnccn2 62a_100000230114_100016995436 [0,1,0,0,0,1|2,0,0]=4 10554 B17R2.5301 Fc1cccc(c1)CSCc2cnccn2 62a_100016995436_100000230114 [0,1,0,0,0,1|2,0,0]=4 10555 B17R2.5301 Fc1cccc(c1)CSCc2cncnc2 62a_100000230114_100015196519 [0,1,0,0,0,1|2,0,0]=4 10556 B17R2.5301 Fc1cccc(c1)CSCc2cncnc2 62a_100015196519_100000230114 [0,1,0,0,0,1|2,0,0]=4 10557 B17R2.5301 Fc1cccc(c1)NCCc2ccccc2 34a_100000210047_100000765856 [0,1,0,0,0,1|1,0,0]=3 10558 B17R2.5301 Fc1cccc(c1)NN=Cc2ccccc2 4a_100000745080_100015611070 [0,1,0,0,0,1|1,0,1]=4 10559 B17R2.5301 Fc1cccc(c1)NN=Cc2cccnc2 4a_100000745080_100000209961 [0,1,0,0,0,1|0,0,1]=3 10560 B17R2.5301 Fc1cccc(c1)NN=Cc2ccnnc2 4a_100000745080_100011934578 [0,1,0,0,0,1|1,0,1]=4 10561 B17R2.5301 Fc1cccc(c1)NN=Cc2cnccn2 4a_100000745080_100000749867 [0,1,0,0,0,1|1,0,1]=4 10562 B17R2.5301 Fc1cccc(c1)NN=Cc2cncnc2 4a_100000745080_100000749868 [0,1,0,0,0,1|1,0,1]=4 10563 B17R2.5301 Fc1cccc(c1)OCCc2ccccc2 34a_100000210426_100000765856 [0,1,0,0,0,1|2,0,0]=4 10564 B17R2.5301 Fc1cccc(c1)OCCc2ccccc2 7a_100000210426_100000765856 [0,1,0,0,0,1|2,0,0]=4 10565 B17R2.5301 Fc1cccc(c1)OCCc2cccnc2 7a_100000210426_200011713674 [0,1,0,0,0,1|1,0,0]=3 10566 B17R2.5301 Fc1cccc(c1)SCCc2ccccc2 62a_100000685547_100011218657 [0,1,0,0,0,1|2,0,0]=4 10567 B17R2.5301 Fc1cccc(c1)SCCc2ccccc2 62a_100000765856_100000685547 [0,1,0,0,0,1|2,0,0]=4 10568 B17R2.5301 Fc1cccc(c1)SCCc2cccnc2 62a_100000685547_200011713674 [0,1,0,0,0,1|1,0,0]=3 10569 B17R2.5301 Fc1cccc(c1)SCCc2cccnc2 62a_200011713674_100000685547 [0,1,0,0,0,1|1,0,0]=3 10570 B17R2.5301 Fc1cccc(c1)SCSc2ccccc2 62a_100000685547_100011218342 [0,1,0,0,0,1|2,0,0]=4 10571 B17R2.5301 Fc1cccc(c1)SCSc2ccccc2 62a_100011218342_100000685547 [0,1,0,0,0,1|2,0,0]=4 10572 B17R2.5301 Fc1cccc(n1)CNCc2ccccc2 2230a_100015188798_100015291786 [0,1,0,0,0,1|2,0,0]=4 10573 B17R2.5301 Fc1cccc(n1)CNCc2ccccc2 2230a_100015324214_100009819644 [0,1,0,0,0,1|2,0,0]=4 10574 B17R2.5301 Fc1cccc(n1)CNCc2ccccc2 270004a_100015324214_100000050434 [0,1,0,0,0,1|2,0,0]=4 10575 B17R2.5301 Fc1cccc(n1)CNCc2ccccc2 34a_100015188798_100015291786 [0,1,0,0,0,1|2,0,0]=4 10576 B17R2.5301 Fc1cccc(n1)CNCc2ccccc2 34a_100015324214_100009819644 [0,1,0,0,0,1|2,0,0]=4 10577 B17R2.5301 Fc1cccc(n1)CNCc2cccnc2 2230a_100015188798_100000741622 [0,1,0,0,0,1|1,0,0]=3 10578 B17R2.5301 Fc1cccc(n1)CNCc2cccnc2 270004a_100000210453_100000050434 [0,1,0,0,0,1|1,0,0]=3 10579 B17R2.5301 Fc1cccc(n1)CNCc2cccnc2 34a_100015188798_100000733263 [0,1,0,0,0,1|1,0,0]=3 10580 B17R2.5301 Fc1cccc(n1)CNCc2cccnn2 2230a_100015188798_100016990269 [0,1,0,0,0,1|2,0,0]=4 10581 B17R2.5301 Fc1cccc(n1)CNCc2cccnn2 2230a_100159270163_100009819644 [0,1,0,0,0,1|2,0,0]=4 10582 B17R2.5301 Fc1cccc(n1)CNCc2cccnn2 34a_100015188798_100016990269 [0,1,0,0,0,1|2,0,0]=4 10583 B17R2.5301 Fc1cccc(n1)CNCc2cnccn2 2230a_100015188798_100016995436 [0,1,0,0,0,1|2,0,0]=4 10584 B17R2.5301 Fc1cccc(n1)CNCc2cnccn2 34a_100015188798_100016995436 [0,1,0,0,0,1|2,0,0]=4 10585 B17R2.5301 Fc1cccc(n1)CNCc2cncnc2 2230a_100011243677_100009819644 [0,1,0,0,0,1|2,0,0]=4 10586 B17R2.5301 Fc1cccc(n1)CNCc2cncnc2 2230a_100015188798_100015196519 [0,1,0,0,0,1|2,0,0]=4 10587 B17R2.5301 Fc1cccc(n1)CNCc2cncnc2 270004a_100011243677_100000050434 [0,1,0,0,0,1|2,0,0]=4 10588 B17R2.5301 Fc1cccc(n1)CNCc2cncnc2 34a_100015188798_100015196519 [0,1,0,0,0,1|2,0,0]=4 10589 B17R2.5301 Fc1cccc(n1)COCc2cccnc2 34a_100000086748_100000733263 [0,1,0,0,0,1|2,0,0]=4 10590 B17R2.5301 Fc1cccc(n1)CSCc2cccnc2 62a_100000741622_100009819644 [0,1,0,0,0,1|2,0,0]=4 10591 B17R2.5301 Fc1cccc(n1)CSCc2cccnc2 62a_100009819644_100000741622 [0,1,0,0,0,1|2,0,0]=4 10592 B17R2.5301 Fc1cccc(n1)NCCc2ccccc2 27a_100000106460_100009815982 [0,1,0,0,0,1|2,0,0]=4 10593 B17R2.5301 Fc1cccc(n1)NCCc2cccnc2 27a_100000736294_100009815982 [0,1,0,0,0,1|1,0,0]=3 10594 B17R2.5301 Fc1cccc(n1)NCCc2cnccn2 27a_100000723456_100009815982 [0,1,0,0,0,1|2,0,0]=4 10595 B17R2.5301 Fc1cccc(n1)NN=Cc2cccnc2 4a_100000075452_100000209961 [0,1,0,0,0,1|1,0,1]=4 10596 B17R2.5301 Fc1cccc(n1)SCCc2cccnc2 62a_100009815982_200011713674 [0,1,0,0,0,1|2,0,0]=4 10597 B17R2.5301 Fc1cccc(n1)SCCc2cccnc2 62a_200011713674_100009815982 [0,1,0,0,0,1|2,0,0]=4 10598 B17R2.5301 Fc1ccnc(c1)NCCc2ccccc2 27a_100000106460_100000764206 [0,1,0,0,0,1|2,0,0]=4 10599 B17R2.5301 Fc1ccnc(c1)NCCc2cccnc2 27a_100000736294_100000764206 [0,1,0,0,0,1|1,0,0]=3 10600 B17R2.5301 Fc1ccnc(c1)NCCc2cnccn2 27a_100000723456_100000764206 [0,1,0,0,0,1|2,0,0]=4 10601 B17R2.5301 Fc1ccnc(c1)SCCc2cccnc2 62a_100000764206_200011713674 [0,1,0,0,0,1|2,0,0]=4 10602 B17R2.5301 Fc1ccnc(c1)SCCc2cccnc2 62a_200011713674_100000764206 [0,1,0,0,0,1|2,0,0]=4 10603 B17R2.5301 Fc1cncc(c1)C=CCc2ccccc2 271570a_200016263579_100000744099 [0,1,0,0,0,1|1,0,1]=4 10604 B17R2.5301 Fc1cncc(c1)C=NNc2ccccc2 4a_100015195140_100011361476 [0,1,0,0,0,1|0,0,1]=3 10605 B17R2.5301 Fc1cncc(c1)C=NNc2ccccn2 4a_100000183288_100011361476 [0,1,0,0,0,1|1,0,1]=4 10606 B17R2.5301 Fc1cncc(c1)C=NNc2cccnc2 4a_100000728903_100011361476 [0,1,0,0,0,1|1,0,1]=4 10607 B17R2.5301 Fc1cncc(c1)C=NNc2ccncc2 4a_100000698918_100011361476 [0,1,0,0,0,1|1,0,1]=4 10608 B17R2.5301 Fc1cncc(c1)CNCc2ccccc2 207a_100011962886_100015611070 [0,1,0,0,0,1|0,0,0]=2 10609 B17R2.5301 Fc1cncc(c1)CNCc2ccccc2 207a_100015324214_100011361476 [0,1,0,0,0,1|0,0,0]=2 10610 B17R2.5301 Fc1cncc(c1)CNCc2ccccc2 2230a_100011962886_100015291786 [0,1,0,0,0,1|0,0,0]=2 10611 B17R2.5301 Fc1cncc(c1)CNCc2ccccc2 2230a_100015324214_100000725299 [0,1,0,0,0,1|0,0,0]=2 10612 B17R2.5301 Fc1cncc(c1)CNCc2ccccc2 270004a_100011962886_100015611070 [0,1,0,0,0,1|0,0,0]=2 10613 B17R2.5301 Fc1cncc(c1)CNCc2ccccc2 270004a_100015324214_100011361476 [0,1,0,0,0,1|0,0,0]=2 10614 B17R2.5301 Fc1cncc(c1)CNCc2ccccc2 34a_100011962886_100015291786 [0,1,0,0,0,1|0,0,0]=2 10615 B17R2.5301 Fc1cncc(c1)CNCc2ccccc2 34a_100015324214_100000725299 [0,1,0,0,0,1|0,0,0]=2 10616 B17R2.5301 Fc1cncc(c1)CNCc2ccccn2 207a_100011962886_100000209966 [0,1,0,0,0,1|1,0,0]=3 10617 B17R2.5301 Fc1cncc(c1)CNCc2ccccn2 2230a_100011962886_100000721315 [0,1,0,0,0,1|1,0,0]=3 10618 B17R2.5301 Fc1cncc(c1)CNCc2ccccn2 270004a_100000210449_100011361476 [0,1,0,0,0,1|1,0,0]=3 10619 B17R2.5301 Fc1cncc(c1)CNCc2ccccn2 270004a_100011962886_100000209966 [0,1,0,0,0,1|1,0,0]=3 10620 B17R2.5301 Fc1cncc(c1)CNCc2ccccn2 34a_100011962886_100000721315 [0,1,0,0,0,1|1,0,0]=3 10621 B17R2.5301 Fc1cncc(c1)CNCc2cccnc2 207a_100000210453_100011361476 [0,1,0,0,0,1|1,0,0]=3 10622 B17R2.5301 Fc1cncc(c1)CNCc2cccnc2 207a_100011962886_100000209961 [0,1,0,0,0,1|1,0,0]=3 10623 B17R2.5301 Fc1cncc(c1)CNCc2cccnc2 2230a_100011962886_100000741622 [0,1,0,0,0,1|1,0,0]=3 10624 B17R2.5301 Fc1cncc(c1)CNCc2cccnc2 270004a_100000210453_100011361476 [0,1,0,0,0,1|1,0,0]=3 10625 B17R2.5301 Fc1cncc(c1)CNCc2cccnc2 270004a_100011962886_100000209961 [0,1,0,0,0,1|1,0,0]=3 10626 B17R2.5301 Fc1cncc(c1)CNCc2cccnc2 34a_100011962886_100000733263 [0,1,0,0,0,1|1,0,0]=3 10627 B17R2.5301 Fc1cncc(c1)CNCc2cccnn2 2230a_100011962886_100016990269 [0,1,0,0,0,1|2,0,0]=4 10628 B17R2.5301 Fc1cncc(c1)CNCc2cccnn2 2230a_100159270163_100000725299 [0,1,0,0,0,1|2,0,0]=4 10629 B17R2.5301 Fc1cncc(c1)CNCc2cccnn2 34a_100011962886_100016990269 [0,1,0,0,0,1|2,0,0]=4 10630 B17R2.5301 Fc1cncc(c1)CNCc2ccncc2 207a_100011962886_100000186114 [0,1,0,0,0,1|1,0,0]=3 10631 B17R2.5301 Fc1cncc(c1)CNCc2ccncc2 2230a_100011962886_100015193705 [0,1,0,0,0,1|1,0,0]=3 10632 B17R2.5301 Fc1cncc(c1)CNCc2ccnnc2 270004a_100011962886_100011934578 [0,1,0,0,0,1|2,0,0]=4 10633 B17R2.5301 Fc1cncc(c1)CNCc2cnccn2 2230a_100011962886_100016995436 [0,1,0,0,0,1|2,0,0]=4 10634 B17R2.5301 Fc1cncc(c1)CNCc2cnccn2 270004a_100011962886_100000749867 [0,1,0,0,0,1|2,0,0]=4 10635 B17R2.5301 Fc1cncc(c1)CNCc2cnccn2 34a_100011962886_100016995436 [0,1,0,0,0,1|2,0,0]=4 10636 B17R2.5301 Fc1cncc(c1)CNCc2cncnc2 207a_100011243677_100011361476 [0,1,0,0,0,1|2,0,0]=4 10637 B17R2.5301 Fc1cncc(c1)CNCc2cncnc2 2230a_100011243677_100000725299 [0,1,0,0,0,1|2,0,0]=4 10638 B17R2.5301 Fc1cncc(c1)CNCc2cncnc2 2230a_100011962886_100015196519 [0,1,0,0,0,1|2,0,0]=4 10639 B17R2.5301 Fc1cncc(c1)CNCc2cncnc2 270004a_100011243677_100011361476 [0,1,0,0,0,1|2,0,0]=4 10640 B17R2.5301 Fc1cncc(c1)CNCc2cncnc2 270004a_100011962886_100000749868 [0,1,0,0,0,1|2,0,0]=4 10641 B17R2.5301 Fc1cncc(c1)CNCc2cncnc2 34a_100011962886_100015196519 [0,1,0,0,0,1|2,0,0]=4 10642 B17R2.5301 Fc1cncc(c1)CNCc2ncccn2 2230a_100011962886_100000703007 [0,1,0,0,0,1|2,0,0]=4 10643 B17R2.5301 Fc1cncc(c1)CNCc2ncccn2 270004a_100011962886_100011532527 [0,1,0,0,0,1|2,0,0]=4 10644 B17R2.5301 Fc1cncc(c1)CNCc2ncccn2 34a_100011962886_100000703007 [0,1,0,0,0,1|2,0,0]=4 10645 B17R2.5301 Fc1cncc(c1)COCc2ccccc2 34a_100000210790_100000725299 [0,1,0,0,0,1|1,0,0]=3 10646 B17R2.5301 Fc1cncc(c1)COCc2ccccc2 34a_100011962875_100015291786 [0,1,0,0,0,1|1,0,0]=3 10647 B17R2.5301 Fc1cncc(c1)COCc2ccccc2 7a_100000210790_100000725299 [0,1,0,0,0,1|1,0,0]=3 10648 B17R2.5301 Fc1cncc(c1)COCc2ccccc2 7a_100011962875_100000211182 [0,1,0,0,0,1|1,0,0]=3 10649 B17R2.5301 Fc1cncc(c1)COCc2ccccn2 34a_100011962875_100000721315 [0,1,0,0,0,1|2,0,0]=4 10650 B17R2.5301 Fc1cncc(c1)COCc2ccccn2 7a_100011962875_100000721315 [0,1,0,0,0,1|2,0,0]=4 10651 B17R2.5301 Fc1cncc(c1)COCc2cccnc2 34a_100011962875_100000733263 [0,1,0,0,0,1|2,0,0]=4 10652 B17R2.5301 Fc1cncc(c1)COCc2cccnc2 7a_100011962875_100000741622 [0,1,0,0,0,1|2,0,0]=4 10653 B17R2.5301 Fc1cncc(c1)COCc2ccncc2 7a_100011962875_100015193705 [0,1,0,0,0,1|2,0,0]=4 10654 B17R2.5301 Fc1cncc(c1)CSCc2ccccc2 62a_100000211182_100000725299 [0,1,0,0,0,1|1,0,0]=3 10655 B17R2.5301 Fc1cncc(c1)CSCc2ccccc2 62a_100000725299_100015291786 [0,1,0,0,0,1|1,0,0]=3 10656 B17R2.5301 Fc1cncc(c1)CSCc2ccccn2 62a_100000721315_100000725299 [0,1,0,0,0,1|2,0,0]=4 10657 B17R2.5301 Fc1cncc(c1)CSCc2ccccn2 62a_100000725299_100000721315 [0,1,0,0,0,1|2,0,0]=4 10658 B17R2.5301 Fc1cncc(c1)CSCc2cccnc2 62a_100000725299_100000741622 [0,1,0,0,0,1|2,0,0]=4 10659 B17R2.5301 Fc1cncc(c1)CSCc2cccnc2 62a_100000741622_100000725299 [0,1,0,0,0,1|2,0,0]=4 10660 B17R2.5301 Fc1cncc(c1)CSCc2ccncc2 62a_100000725299_100015193705 [0,1,0,0,0,1|2,0,0]=4 10661 B17R2.5301 Fc1cncc(c1)CSCc2ccncc2 62a_100015193705_100000725299 [0,1,0,0,0,1|2,0,0]=4 10662 B17R2.5301 Fc1cncc(c1)NN=Cc2ccccc2 4a_200011955905_100015611070 [0,1,0,0,0,1|1,0,1]=4 10663 B17R2.5301 Fc1cncc(c1)NN=Cc2cccnc2 4a_200011955905_100000209961 [0,1,0,0,0,1|1,0,1]=4 10664 B17R2.5301 Fc1cncc(c1)OCCc2ccccc2 34a_100011830296_100000765856 [0,1,0,0,0,1|1,0,0]=3 10665 B17R2.5301 Fc1cncc(c1)OCCc2ccccc2 7a_100011830296_100000765856 [0,1,0,0,0,1|1,0,0]=3 10666 B17R2.5301 Fc1cncc(c1)OCCc2ccccn2 7a_100011830296_100015183660 [0,1,0,0,0,1|2,0,0]=4 10667 B17R2.5301 Fc1cncc(c1)OCCc2cccnc2 7a_100011830296_200011713674 [0,1,0,0,0,1|2,0,0]=4 10668 B17R2.5301 Fc1cncc(c1)OCCc2ccncc2 7a_100011830296_100000723409 [0,1,0,0,0,1|2,0,0]=4 10669 B17R2.5301 Fc1cncc(c1)SCCc2ccccc2 62a_100000744099_100011218657 [0,1,0,0,0,1|1,0,0]=3 10670 B17R2.5301 Fc1cncc(c1)SCCc2ccccc2 62a_100000765856_100000744099 [0,1,0,0,0,1|1,0,0]=3 10671 B17R2.5301 Fc1cncc(c1)SCCc2ccccn2 62a_100000744099_100015183660 [0,1,0,0,0,1|2,0,0]=4 10672 B17R2.5301 Fc1cncc(c1)SCCc2ccccn2 62a_100015183660_100000744099 [0,1,0,0,0,1|2,0,0]=4 10673 B17R2.5301 Fc1cncc(c1)SCCc2cccnc2 62a_100000744099_200011713674 [0,1,0,0,0,1|2,0,0]=4 10674 B17R2.5301 Fc1cncc(c1)SCCc2cccnc2 62a_200011713674_100000744099 [0,1,0,0,0,1|2,0,0]=4 10675 B17R2.5301 Fc1cncc(c1)SCCc2ccncc2 62a_100000723409_100000744099 [0,1,0,0,0,1|2,0,0]=4 10676 B17R2.5301 Fc1cncc(c1)SCCc2ccncc2 62a_100000744099_100000723409 [0,1,0,0,0,1|2,0,0]=4 10677 B17R2.5301 Fc1cncc(c1)SCSc2ccccc2 62a_100000744099_100011218342 [0,1,0,0,0,1|1,0,0]=3 10678 B17R2.5301 Fc1cncc(c1)SCSc2ccccc2 62a_100011218342_100000744099 [0,1,0,0,0,1|1,0,0]=3 10679 B17R2.5301 Fc1cncc(n1)NCCc2ccccc2 27a_100000106460_200009863489 [0,1,0,0,0,1|2,0,0]=4 10680 B17R2.5301 Fc1cncc(n1)NCCc2cccnc2 27a_100000736294_200009863489 [0,1,0,0,0,1|2,0,0]=4 10681 B17R2.5301 Fc1cncc(n1)SCCc2ccccc2 62a_100000765856_200009863489 [0,1,0,0,0,1|2,0,0]=4 10682 B17R2.5301 Fc1cncc(n1)SCCc2ccccc2 62a_200009863489_100011218657 [0,1,0,0,0,1|2,0,0]=4 10683 B17R2.5301 Fc1cncc(n1)SCSc2ccccc2 62a_100011218342_200009863489 [0,1,0,0,0,1|2,0,0]=4 10684 B17R2.5301 Fc1cncc(n1)SCSc2ccccc2 62a_200009863489_100011218342 [0,1,0,0,0,1|2,0,0]=4 10685 B17R2.5301 Ic1cccc(c1)C=NNc2ccccc2 4a_100015195140_100000014684 [0,1,0,0,0,1|1,0,1]=4 10686 B17R2.5301 Ic1cccc(c1)C=NNc2cccnc2 4a_100000728903_100000014684 [0,1,0,0,0,1|1,0,1]=4 10687 B17R2.5301 Ic1cccc(c1)CNCc2ccccc2 207a_100000106179_100015611070 [0,1,0,0,0,1|1,0,0]=3 10688 B17R2.5301 Ic1cccc(c1)CNCc2ccccc2 207a_100015324214_100000014684 [0,1,0,0,0,1|1,0,0]=3 10689 B17R2.5301 Ic1cccc(c1)CNCc2ccccc2 2230a_100000106179_100015291786 [0,1,0,0,0,1|1,0,0]=3 10690 B17R2.5301 Ic1cccc(c1)CNCc2ccccc2 2230a_100015324214_100011218688 [0,1,0,0,0,1|1,0,0]=3 10691 B17R2.5301 Ic1cccc(c1)CNCc2ccccc2 270004a_100000106179_100015611070 [0,1,0,0,0,1|1,0,0]=3 10692 B17R2.5301 Ic1cccc(c1)CNCc2ccccc2 270004a_100015324214_100000014684 [0,1,0,0,0,1|1,0,0]=3 10693 B17R2.5301 Ic1cccc(c1)CNCc2ccccc2 34a_100000106179_100015291786 [0,1,0,0,0,1|1,0,0]=3 10694 B17R2.5301 Ic1cccc(c1)CNCc2ccccc2 34a_100015324214_100011218688 [0,1,0,0,0,1|1,0,0]=3 10695 B17R2.5301 Ic1cccc(c1)CNCc2ccccn2 207a_100000106179_100000209966 [0,1,0,0,0,1|2,0,0]=4 10696 B17R2.5301 Ic1cccc(c1)CNCc2ccccn2 2230a_100000106179_100000721315 [0,1,0,0,0,1|2,0,0]=4 10697 B17R2.5301 Ic1cccc(c1)CNCc2ccccn2 270004a_100000106179_100000209966 [0,1,0,0,0,1|2,0,0]=4 10698 B17R2.5301 Ic1cccc(c1)CNCc2ccccn2 270004a_100000210449_100000014684 [0,1,0,0,0,1|2,0,0]=4 10699 B17R2.5301 Ic1cccc(c1)CNCc2ccccn2 34a_100000106179_100000721315 [0,1,0,0,0,1|2,0,0]=4 10700 B17R2.5301 Ic1cccc(c1)CNCc2cccnc2 207a_100000106179_100000209961 [0,1,0,0,0,1|0,0,0]=2 10701 B17R2.5301 Ic1cccc(c1)CNCc2cccnc2 207a_100000210453_100000014684 [0,1,0,0,0,1|0,0,0]=2 10702 B17R2.5301 Ic1cccc(c1)CNCc2cccnc2 2230a_100000106179_100000741622 [0,1,0,0,0,1|0,0,0]=2 10703 B17R2.5301 Ic1cccc(c1)CNCc2cccnc2 270004a_100000106179_100000209961 [0,1,0,0,0,1|0,0,0]=2 10704 B17R2.5301 Ic1cccc(c1)CNCc2cccnc2 270004a_100000210453_100000014684 [0,1,0,0,0,1|0,0,0]=2 10705 B17R2.5301 Ic1cccc(c1)CNCc2cccnc2 34a_100000106179_100000733263 [0,1,0,0,0,1|0,0,0]=2 10706 B17R2.5301 Ic1cccc(c1)CNCc2cccnn2 2230a_100000106179_100016990269 [0,1,0,0,0,1|1,0,0]=3 10707 B17R2.5301 Ic1cccc(c1)CNCc2cccnn2 2230a_100159270163_100011218688 [0,1,0,0,0,1|1,0,0]=3 10708 B17R2.5301 Ic1cccc(c1)CNCc2cccnn2 34a_100000106179_100016990269 [0,1,0,0,0,1|1,0,0]=3 10709 B17R2.5301 Ic1cccc(c1)CNCc2ccncc2 207a_100000106179_100000186114 [0,1,0,0,0,1|2,0,0]=4 10710 B17R2.5301 Ic1cccc(c1)CNCc2ccncc2 2230a_100000106179_100015193705 [0,1,0,0,0,1|2,0,0]=4 10711 B17R2.5301 Ic1cccc(c1)CNCc2ccnnc2 270004a_100000106179_100011934578 [0,1,0,0,0,1|1,0,0]=3 10712 B17R2.5301 Ic1cccc(c1)CNCc2cnccn2 2230a_100000106179_100016995436 [0,1,0,0,0,1|1,0,0]=3 10713 B17R2.5301 Ic1cccc(c1)CNCc2cnccn2 270004a_100000106179_100000749867 [0,1,0,0,0,1|1,0,0]=3 10714 B17R2.5301 Ic1cccc(c1)CNCc2cnccn2 34a_100000106179_100016995436 [0,1,0,0,0,1|1,0,0]=3 10715 B17R2.5301 Ic1cccc(c1)CNCc2cncnc2 207a_100011243677_100000014684 [0,1,0,0,0,1|1,0,0]=3 10716 B17R2.5301 Ic1cccc(c1)CNCc2cncnc2 2230a_100000106179_100015196519 [0,1,0,0,0,1|1,0,0]=3 10717 B17R2.5301 Ic1cccc(c1)CNCc2cncnc2 2230a_100011243677_100011218688 [0,1,0,0,0,1|1,0,0]=3 10718 B17R2.5301 Ic1cccc(c1)CNCc2cncnc2 270004a_100000106179_100000749868 [0,1,0,0,0,1|1,0,0]=3 10719 B17R2.5301 Ic1cccc(c1)CNCc2cncnc2 270004a_100011243677_100000014684 [0,1,0,0,0,1|1,0,0]=3 10720 B17R2.5301 Ic1cccc(c1)CNCc2cncnc2 34a_100000106179_100015196519 [0,1,0,0,0,1|1,0,0]=3 10721 B17R2.5301 Ic1cccc(c1)COCc2ccccc2 34a_100000210790_100011218688 [0,1,0,0,0,1|2,0,0]=4 10722 B17R2.5301 Ic1cccc(c1)COCc2ccccc2 34a_100011215336_100015291786 [0,1,0,0,0,1|2,0,0]=4 10723 B17R2.5301 Ic1cccc(c1)COCc2ccccc2 7a_100000210790_100011218688 [0,1,0,0,0,1|2,0,0]=4 10724 B17R2.5301 Ic1cccc(c1)COCc2ccccc2 7a_100011215336_100000211182 [0,1,0,0,0,1|2,0,0]=4 10725 B17R2.5301 Ic1cccc(c1)COCc2cccnc2 34a_100011215336_100000733263 [0,1,0,0,0,1|1,0,0]=3 10726 B17R2.5301 Ic1cccc(c1)COCc2cccnc2 7a_100011215336_100000741622 [0,1,0,0,0,1|1,0,0]=3 10727 B17R2.5301 Ic1cccc(c1)COCc2cccnn2 34a_100011215336_100016990269 [0,1,0,0,0,1|2,0,0]=4 10728 B17R2.5301 Ic1cccc(c1)COCc2cccnn2 7a_100011215336_100016990269 [0,1,0,0,0,1|2,0,0]=4 10729 B17R2.5301 Ic1cccc(c1)COCc2cnccn2 34a_100011215336_100016995436 [0,1,0,0,0,1|2,0,0]=4 10730 B17R2.5301 Ic1cccc(c1)COCc2cnccn2 7a_100011215336_100016995436 [0,1,0,0,0,1|2,0,0]=4 10731 B17R2.5301 Ic1cccc(c1)COCc2cncnc2 34a_100011215336_100015196519 [0,1,0,0,0,1|2,0,0]=4 10732 B17R2.5301 Ic1cccc(c1)COCc2cncnc2 7a_100011215336_100015196519 [0,1,0,0,0,1|2,0,0]=4 10733 B17R2.5301 Ic1cccc(c1)CSCc2ccccc2 62a_100000211182_100011218688 [0,1,0,0,0,1|2,0,0]=4 10734 B17R2.5301 Ic1cccc(c1)CSCc2ccccc2 62a_100011218688_100015291786 [0,1,0,0,0,1|2,0,0]=4 10735 B17R2.5301 Ic1cccc(c1)CSCc2cccnc2 62a_100000741622_100011218688 [0,1,0,0,0,1|1,0,0]=3 10736 B17R2.5301 Ic1cccc(c1)CSCc2cccnc2 62a_100011218688_100000741622 [0,1,0,0,0,1|1,0,0]=3 10737 B17R2.5301 Ic1cccc(c1)CSCc2cccnn2 62a_100011218688_100016990269 [0,1,0,0,0,1|2,0,0]=4 10738 B17R2.5301 Ic1cccc(c1)CSCc2cccnn2 62a_100016990269_100011218688 [0,1,0,0,0,1|2,0,0]=4 10739 B17R2.5301 Ic1cccc(c1)CSCc2cnccn2 62a_100011218688_100016995436 [0,1,0,0,0,1|2,0,0]=4 10740 B17R2.5301 Ic1cccc(c1)CSCc2cnccn2 62a_100016995436_100011218688 [0,1,0,0,0,1|2,0,0]=4 10741 B17R2.5301 Ic1cccc(c1)CSCc2cncnc2 62a_100011218688_100015196519 [0,1,0,0,0,1|2,0,0]=4 10742 B17R2.5301 Ic1cccc(c1)CSCc2cncnc2 62a_100015196519_100011218688 [0,1,0,0,0,1|2,0,0]=4 10743 B17R2.5301 Ic1cccc(c1)NCCc2ccccc2 34a_100000211102_100000765856 [0,1,0,0,0,1|1,0,0]=3 10744 B17R2.5301 Ic1cccc(c1)NN=Cc2ccccc2 4a_100020605690_100015611070 [0,1,0,0,0,1|1,0,1]=4 10745 B17R2.5301 Ic1cccc(c1)NN=Cc2cccnc2 4a_100020605690_100000209961 [0,1,0,0,0,1|0,0,1]=3 10746 B17R2.5301 Ic1cccc(c1)NN=Cc2ccnnc2 4a_100020605690_100011934578 [0,1,0,0,0,1|1,0,1]=4 10747 B17R2.5301 Ic1cccc(c1)NN=Cc2cnccn2 4a_100020605690_100000749867 [0,1,0,0,0,1|1,0,1]=4 10748 B17R2.5301 Ic1cccc(c1)NN=Cc2cncnc2 4a_100020605690_100000749868 [0,1,0,0,0,1|1,0,1]=4 10749 B17R2.5301 Ic1cccc(c1)OCCc2ccccc2 34a_100000211634_100000765856 [0,1,0,0,0,1|2,0,0]=4 10750 B17R2.5301 Ic1cccc(c1)OCCc2ccccc2 7a_100000211634_100000765856 [0,1,0,0,0,1|2,0,0]=4 10751 B17R2.5301 Ic1cccc(c1)OCCc2cccnc2 7a_100000211634_200011713674 [0,1,0,0,0,1|1,0,0]=3 10752 B17R2.5301 Ic1ccnc(c1)NN=Cc2cccnc2 4a_100010221011_100000209961 [0,1,0,0,0,1|1,0,1]=4 10753 B17R2.5301 Nc1cc(ccn1)SCCc2cccnc2 62a_100000049665_200011713674 [0,1,0,0,0,1|2,0,0]=4 10754 B17R2.5301 Nc1cc(ccn1)SCCc2cccnc2 62a_200011713674_100000049665 [0,1,0,0,0,1|2,0,0]=4 10755 B17R2.5301 Nc1cc(cnn1)OCCc2ccccc2 34a_200015193112_100000765856 [0,1,0,0,0,1|2,0,0]=4 10756 B17R2.5301 Nc1cc(cnn1)SCCc2ccccc2 62a_100000130277_100011218657 [0,1,0,0,0,1|2,0,0]=4 10757 B17R2.5301 Nc1cc(cnn1)SCCc2ccccc2 62a_100000765856_100000130277 [0,1,0,0,0,1|2,0,0]=4 10758 B17R2.5301 Nc1cc(cnn1)SCSc2ccccc2 62a_100000130277_100011218342 [0,1,0,0,0,1|2,0,0]=4 10759 B17R2.5301 Nc1cc(cnn1)SCSc2ccccc2 62a_100011218342_100000130277 [0,1,0,0,0,1|2,0,0]=4 10760 B17R2.5301 Nc1cc(ncn1)NCCc2cccnc2 27a_100000736294_100000701291 [0,1,0,0,0,1|2,0,0]=4 10761 B17R2.5301 Nc1cccc(c1)C=CCc2ccccc2 271570a_200016263579_100000210019 [0,1,0,0,0,1|2,0,0]=4 10762 B17R2.5301 Nc1cccc(c1)COCc2ccccc2 34a_100000211919_100015291786 [0,1,0,0,0,1|2,0,0]=4 10763 B17R2.5301 Nc1cccc(c1)COCc2cccnc2 34a_100000211919_100000733263 [0,1,0,0,0,1|1,0,0]=3 10764 B17R2.5301 Nc1cccc(c1)COCc2cccnn2 34a_100000211919_100016990269 [0,1,0,0,0,1|2,0,0]=4 10765 B17R2.5301 Nc1cccc(c1)COCc2cnccn2 34a_100000211919_100016995436 [0,1,0,0,0,1|2,0,0]=4 10766 B17R2.5301 Nc1cccc(c1)COCc2cncnc2 34a_100000211919_100015196519 [0,1,0,0,0,1|2,0,0]=4 10767 B17R2.5301 Nc1cccc(c1)OCCc2ccccc2 34a_100000210217_100000765856 [0,1,0,0,0,1|2,0,0]=4 10768 B17R2.5301 Nc1cccc(c1)SCCc2ccccc2 62a_100000210019_100011218657 [0,1,0,0,0,1|2,0,0]=4 10769 B17R2.5301 Nc1cccc(c1)SCCc2ccccc2 62a_100000765856_100000210019 [0,1,0,0,0,1|2,0,0]=4 10770 B17R2.5301 Nc1cccc(c1)SCCc2cccnc2 62a_100000210019_200011713674 [0,1,0,0,0,1|1,0,0]=3 10771 B17R2.5301 Nc1cccc(c1)SCCc2cccnc2 62a_200011713674_100000210019 [0,1,0,0,0,1|1,0,0]=3 10772 B17R2.5301 Nc1cccc(c1)SCSc2ccccc2 62a_100000210019_100011218342 [0,1,0,0,0,1|2,0,0]=4 10773 B17R2.5301 Nc1cccc(c1)SCSc2ccccc2 62a_100011218342_100000210019 [0,1,0,0,0,1|2,0,0]=4 10774 B17R2.5301 Nc1cccc(n1)SCCc2cccnc2 62a_100000740741_200011713674 [0,1,0,0,0,1|2,0,0]=4 10775 B17R2.5301 Nc1cccc(n1)SCCc2cccnc2 62a_200011713674_100000740741 [0,1,0,0,0,1|2,0,0]=4 10776 B17R2.5301 Nc1ccnc(c1)COCc2cccnc2 34a_100000692640_100000733263 [0,1,0,0,0,1|2,0,0]=4 10777 B17R2.5301 Nc1ccnc(c1)SCCc2cccnc2 62a_100009814236_200011713674 [0,1,0,0,0,1|2,0,0]=4 10778 B17R2.5301 Nc1ccnc(c1)SCCc2cccnc2 62a_200011713674_100009814236 [0,1,0,0,0,1|2,0,0]=4 10779 B17R2.5301 Nc1ccnc(n1)NCCc2cccnc2 27a_100000736294_100000757536 [0,1,0,0,0,1|2,0,0]=4 10780 B17R2.5301 Nc1cncc(c1)C=CCc2ccccc2 271570a_200016263579_100000687067 [0,1,0,0,0,1|1,0,1]=4 10781 B17R2.5301 Nc1cncc(c1)COCc2ccccc2 34a_100000085308_100015291786 [0,1,0,0,0,1|1,0,0]=3 10782 B17R2.5301 Nc1cncc(c1)COCc2ccccn2 34a_100000085308_100000721315 [0,1,0,0,0,1|2,0,0]=4 10783 B17R2.5301 Nc1cncc(c1)COCc2cccnc2 34a_100000085308_100000733263 [0,1,0,0,0,1|2,0,0]=4 10784 B17R2.5301 Nc1cncc(c1)OCCc2ccccc2 34a_100011997051_100000765856 [0,1,0,0,0,1|1,0,0]=3 10785 B17R2.5301 Nc1cncc(c1)SCCc2ccccc2 62a_100000687067_100011218657 [0,1,0,0,0,1|1,0,0]=3 10786 B17R2.5301 Nc1cncc(c1)SCCc2ccccc2 62a_100000765856_100000687067 [0,1,0,0,0,1|1,0,0]=3 10787 B17R2.5301 Nc1cncc(c1)SCCc2ccccn2 62a_100000687067_100015183660 [0,1,0,0,0,1|2,0,0]=4 10788 B17R2.5301 Nc1cncc(c1)SCCc2ccccn2 62a_100015183660_100000687067 [0,1,0,0,0,1|2,0,0]=4 10789 B17R2.5301 Nc1cncc(c1)SCCc2cccnc2 62a_100000687067_200011713674 [0,1,0,0,0,1|2,0,0]=4 10790 B17R2.5301 Nc1cncc(c1)SCCc2cccnc2 62a_200011713674_100000687067 [0,1,0,0,0,1|2,0,0]=4 10791 B17R2.5301 Nc1cncc(c1)SCCc2ccncc2 62a_100000687067_100000723409 [0,1,0,0,0,1|2,0,0]=4 10792 B17R2.5301 Nc1cncc(c1)SCCc2ccncc2 62a_100000723409_100000687067 [0,1,0,0,0,1|2,0,0]=4 10793 B17R2.5301 Nc1cncc(c1)SCSc2ccccc2 62a_100000687067_100011218342 [0,1,0,0,0,1|1,0,0]=3 10794 B17R2.5301 Nc1cncc(c1)SCSc2ccccc2 62a_100011218342_100000687067 [0,1,0,0,0,1|1,0,0]=3 10795 B17R2.5301 Nc1cncc(n1)SCCc2ccccc2 62a_100000747728_100011218657 [0,1,0,0,0,1|2,0,0]=4 10796 B17R2.5301 Nc1cncc(n1)SCCc2ccccc2 62a_100000765856_100000747728 [0,1,0,0,0,1|2,0,0]=4 10797 B17R2.5301 Nc1cncc(n1)SCSc2ccccc2 62a_100000747728_100011218342 [0,1,0,0,0,1|2,0,0]=4 10798 B17R2.5301 Nc1cncc(n1)SCSc2ccccc2 62a_100011218342_100000747728 [0,1,0,0,0,1|2,0,0]=4 10799 B17R2.5301 Nc1cnnc(c1)SCCc2ccccc2 62a_100000765856_100011996757 [0,1,0,0,0,1|2,0,0]=4 10800 B17R2.5301 Nc1cnnc(c1)SCCc2ccccc2 62a_100011996757_100011218657 [0,1,0,0,0,1|2,0,0]=4 10801 B17R2.5301 Nc1cnnc(c1)SCSc2ccccc2 62a_100011218342_100011996757 [0,1,0,0,0,1|2,0,0]=4 10802 B17R2.5301 Nc1cnnc(c1)SCSc2ccccc2 62a_100011996757_100011218342 [0,1,0,0,0,1|2,0,0]=4 10803 B17R2.5301 Nc1nccc(n1)NCCc2cccnc2 27a_100000736294_100000055538 [0,1,0,0,0,1|2,0,0]=4 10804 B17R2.5301 O=C1CC(=NNCc2cccnc2)C=CN1 4a_100000738295_100000133659 [0,1,0,0,0,1|1,0,1]=4 10805 B17R2.5301 O=c1cc(cc[nH]1)NCCc2ccccc2 27a_100000106460_100000061649 [0,1,0,0,0,1|2,0,0]=4 10806 B17R2.5301 O=c1cc(cc[nH]1)NCCc2cccnc2 27a_100000736294_100000061649 [0,1,0,0,0,1|1,0,0]=3 10807 B17R2.5301 O=c1cc(cc[nH]1)NCCc2cnccn2 27a_100000723456_100000061649 [0,1,0,0,0,1|2,0,0]=4 10808 B17R2.5301 O=c1cc(cc[nH]1)NN=Cc2cccnc2 4a_100000120847_100000209961 [0,1,0,0,0,1|1,0,1]=4 10809 B17R2.5301 O=c1cc(cc[nH]1)SCCc2cccnc2 62a_100009816521_200011713674 [0,1,0,0,0,1|2,0,0]=4 10810 B17R2.5301 O=c1cc(cc[nH]1)SCCc2cccnc2 62a_200011713674_100009816521 [0,1,0,0,0,1|2,0,0]=4 10811 B17R2.5301 O=c1cc(cn[nH]1)SCCc2ccccc2 62a_100000765856_100010197405 [0,1,0,0,0,1|2,0,0]=4 10812 B17R2.5301 O=c1cc(cn[nH]1)SCSc2ccccc2 62a_100011218342_100010197405 [0,1,0,0,0,1|2,0,0]=4 10813 B17R2.5301 O=c1cc[nH]c(c1)SCCc2cccnc2 62a_100009817434_200011713674 [0,1,0,0,0,1|2,0,0]=4 10814 B17R2.5301 O=c1cccc([nH]1)CNCc2ccccc2 207a_100015324214_100011935257 [0,1,0,0,0,1|2,0,0]=4 10815 B17R2.5301 O=c1cccc([nH]1)CNCc2ccccc2 2230a_100000696482_100015291786 [0,1,0,0,0,1|2,0,0]=4 10816 B17R2.5301 O=c1cccc([nH]1)CNCc2cccnc2 207a_100000210453_100011935257 [0,1,0,0,0,1|1,0,0]=3 10817 B17R2.5301 O=c1cccc([nH]1)CNCc2cccnc2 2230a_100000696482_100000741622 [0,1,0,0,0,1|1,0,0]=3 10818 B17R2.5301 O=c1cccc([nH]1)CNCc2cccnn2 2230a_100000696482_100016990269 [0,1,0,0,0,1|2,0,0]=4 10819 B17R2.5301 O=c1cccc([nH]1)CNCc2cnccn2 2230a_100000696482_100016995436 [0,1,0,0,0,1|2,0,0]=4 10820 B17R2.5301 O=c1cccc([nH]1)CNCc2cncnc2 207a_100011243677_100011935257 [0,1,0,0,0,1|2,0,0]=4 10821 B17R2.5301 O=c1cccc([nH]1)CNCc2cncnc2 2230a_100000696482_100015196519 [0,1,0,0,0,1|2,0,0]=4 10822 B17R2.5301 O=c1cccc([nH]1)SCCc2cccnc2 62a_200011713674_100000752884 [0,1,0,0,0,1|2,0,0]=4 10823 B17R2.5301 O=c1nc(cc[nH]1)NCCc2cccnc2 27a_100000736294_200000134032 [0,1,0,0,0,1|2,0,0]=4 10824 B17R2.5301 Oc1cc(ccn1)CNCc2ccccc2 207a_100015324214_100000688113 [0,1,0,0,0,1|2,0,0]=4 10825 B17R2.5301 Oc1cc(ccn1)CNCc2cccnc2 207a_100000210453_100000688113 [0,1,0,0,0,1|1,0,0]=3 10826 B17R2.5301 Oc1cc(ccn1)CNCc2cncnc2 207a_100011243677_100000688113 [0,1,0,0,0,1|2,0,0]=4 10827 B17R2.5301 Oc1cc(ncn1)NCCc2cccnc2 27a_100000736294_100000765262 [0,1,0,0,0,1|2,0,0]=4 10828 B17R2.5301 Oc1cccc(c1)C=CCc2ccccc2 271570a_200016263579_100000211634 [0,1,0,0,0,1|2,0,0]=4 10829 B17R2.5301 Oc1cccc(c1)C=NNc2ccccc2 4a_100015195140_100000188321 [0,1,0,0,0,1|1,0,1]=4 10830 B17R2.5301 Oc1cccc(c1)C=NNc2cccnc2 4a_100000728903_100000188321 [0,1,0,0,0,1|1,0,1]=4 10831 B17R2.5301 Oc1cccc(c1)CCNc2cccnn2 27a_100000747277_100016991348 [0,1,0,0,0,1|2,0,0]=4 10832 B17R2.5301 Oc1cccc(c1)CCNc2cnccn2 27a_100000747277_100000211759 [0,1,0,0,0,1|2,0,0]=4 10833 B17R2.5301 Oc1cccc(c1)CNCc2ccccc2 207a_100000743036_100015611070 [0,1,0,0,0,1|1,0,0]=3 10834 B17R2.5301 Oc1cccc(c1)CNCc2ccccc2 207a_100015324214_100000188321 [0,1,0,0,0,1|1,0,0]=3 10835 B17R2.5301 Oc1cccc(c1)CNCc2ccccc2 2230a_100000743036_100015291786 [0,1,0,0,0,1|1,0,0]=3 10836 B17R2.5301 Oc1cccc(c1)CNCc2ccccc2 2230a_100015324214_100011660834 [0,1,0,0,0,1|1,0,0]=3 10837 B17R2.5301 Oc1cccc(c1)CNCc2ccccc2 270004a_100000743036_100015611070 [0,1,0,0,0,1|1,0,0]=3 10838 B17R2.5301 Oc1cccc(c1)CNCc2ccccc2 270004a_100015324214_100000188321 [0,1,0,0,0,1|1,0,0]=3 10839 B17R2.5301 Oc1cccc(c1)CNCc2ccccc2 34a_100000743036_100015291786 [0,1,0,0,0,1|1,0,0]=3 10840 B17R2.5301 Oc1cccc(c1)CNCc2ccccc2 34a_100015324214_100011660834 [0,1,0,0,0,1|1,0,0]=3 10841 B17R2.5301 Oc1cccc(c1)CNCc2ccccn2 207a_100000743036_100000209966 [0,1,0,0,0,1|2,0,0]=4 10842 B17R2.5301 Oc1cccc(c1)CNCc2ccccn2 2230a_100000743036_100000721315 [0,1,0,0,0,1|2,0,0]=4 10843 B17R2.5301 Oc1cccc(c1)CNCc2ccccn2 270004a_100000210449_100000188321 [0,1,0,0,0,1|2,0,0]=4 10844 B17R2.5301 Oc1cccc(c1)CNCc2ccccn2 270004a_100000743036_100000209966 [0,1,0,0,0,1|2,0,0]=4 10845 B17R2.5301 Oc1cccc(c1)CNCc2ccccn2 34a_100000743036_100000721315 [0,1,0,0,0,1|2,0,0]=4 10846 B17R2.5301 Oc1cccc(c1)CNCc2cccnc2 207a_100000210453_100000188321 [0,1,0,0,0,1|0,0,0]=2 10847 B17R2.5301 Oc1cccc(c1)CNCc2cccnc2 207a_100000743036_100000209961 [0,1,0,0,0,1|0,0,0]=2 10848 B17R2.5301 Oc1cccc(c1)CNCc2cccnc2 2230a_100000743036_100000741622 [0,1,0,0,0,1|0,0,0]=2 10849 B17R2.5301 Oc1cccc(c1)CNCc2cccnc2 270004a_100000210453_100000188321 [0,1,0,0,0,1|0,0,0]=2 10850 B17R2.5301 Oc1cccc(c1)CNCc2cccnc2 270004a_100000743036_100000209961 [0,1,0,0,0,1|0,0,0]=2 10851 B17R2.5301 Oc1cccc(c1)CNCc2cccnc2 34a_100000743036_100000733263 [0,1,0,0,0,1|0,0,0]=2 10852 B17R2.5301 Oc1cccc(c1)CNCc2cccnn2 2230a_100000743036_100016990269 [0,1,0,0,0,1|1,0,0]=3 10853 B17R2.5301 Oc1cccc(c1)CNCc2cccnn2 2230a_100159270163_100011660834 [0,1,0,0,0,1|1,0,0]=3 10854 B17R2.5301 Oc1cccc(c1)CNCc2cccnn2 34a_100000743036_100016990269 [0,1,0,0,0,1|1,0,0]=3 10855 B17R2.5301 Oc1cccc(c1)CNCc2ccncc2 207a_100000743036_100000186114 [0,1,0,0,0,1|2,0,0]=4 10856 B17R2.5301 Oc1cccc(c1)CNCc2ccncc2 2230a_100000743036_100015193705 [0,1,0,0,0,1|2,0,0]=4 10857 B17R2.5301 Oc1cccc(c1)CNCc2ccnnc2 270004a_100000743036_100011934578 [0,1,0,0,0,1|1,0,0]=3 10858 B17R2.5301 Oc1cccc(c1)CNCc2cnccn2 2230a_100000743036_100016995436 [0,1,0,0,0,1|1,0,0]=3 10859 B17R2.5301 Oc1cccc(c1)CNCc2cnccn2 270004a_100000743036_100000749867 [0,1,0,0,0,1|1,0,0]=3 10860 B17R2.5301 Oc1cccc(c1)CNCc2cnccn2 34a_100000743036_100016995436 [0,1,0,0,0,1|1,0,0]=3 10861 B17R2.5301 Oc1cccc(c1)CNCc2cncnc2 207a_100011243677_100000188321 [0,1,0,0,0,1|1,0,0]=3 10862 B17R2.5301 Oc1cccc(c1)CNCc2cncnc2 2230a_100000743036_100015196519 [0,1,0,0,0,1|1,0,0]=3 10863 B17R2.5301 Oc1cccc(c1)CNCc2cncnc2 2230a_100011243677_100011660834 [0,1,0,0,0,1|1,0,0]=3 10864 B17R2.5301 Oc1cccc(c1)CNCc2cncnc2 270004a_100000743036_100000749868 [0,1,0,0,0,1|1,0,0]=3 10865 B17R2.5301 Oc1cccc(c1)CNCc2cncnc2 270004a_100011243677_100000188321 [0,1,0,0,0,1|1,0,0]=3 10866 B17R2.5301 Oc1cccc(c1)CNCc2cncnc2 34a_100000743036_100015196519 [0,1,0,0,0,1|1,0,0]=3 10867 B17R2.5301 Oc1cccc(c1)COCc2ccccc2 34a_100000210790_100011660834 [0,1,0,0,0,1|2,0,0]=4 10868 B17R2.5301 Oc1cccc(c1)COCc2ccccc2 7a_100000210790_100000084143 [0,1,0,0,0,1|2,0,0]=4 10869 B17R2.5301 Oc1cccc(c1)CSCc2ccccc2 62a_100000211182_100011660834 [0,1,0,0,0,1|2,0,0]=4 10870 B17R2.5301 Oc1cccc(c1)CSCc2ccccc2 62a_100011660834_100015291786 [0,1,0,0,0,1|2,0,0]=4 10871 B17R2.5301 Oc1cccc(c1)CSCc2cccnc2 62a_100000741622_100011660834 [0,1,0,0,0,1|1,0,0]=3 10872 B17R2.5301 Oc1cccc(c1)CSCc2cccnc2 62a_100011660834_100000741622 [0,1,0,0,0,1|1,0,0]=3 10873 B17R2.5301 Oc1cccc(c1)CSCc2cccnn2 62a_100011660834_100016990269 [0,1,0,0,0,1|2,0,0]=4 10874 B17R2.5301 Oc1cccc(c1)CSCc2cccnn2 62a_100016990269_100011660834 [0,1,0,0,0,1|2,0,0]=4 10875 B17R2.5301 Oc1cccc(c1)CSCc2cnccn2 62a_100011660834_100016995436 [0,1,0,0,0,1|2,0,0]=4 10876 B17R2.5301 Oc1cccc(c1)CSCc2cnccn2 62a_100016995436_100011660834 [0,1,0,0,0,1|2,0,0]=4 10877 B17R2.5301 Oc1cccc(c1)CSCc2cncnc2 62a_100011660834_100015196519 [0,1,0,0,0,1|2,0,0]=4 10878 B17R2.5301 Oc1cccc(c1)CSCc2cncnc2 62a_100015196519_100011660834 [0,1,0,0,0,1|2,0,0]=4 10879 B17R2.5301 Oc1cccc(c1)NCCc2ccccc2 34a_100000210217_100000765856 [0,1,0,0,0,1|1,0,0]=3 10880 B17R2.5301 Oc1cccc(c1)SCCc2ccccc2 62a_100000765856_100000211634 [0,1,0,0,0,1|2,0,0]=4 10881 B17R2.5301 Oc1cccc(c1)SCCc2cccnc2 62a_200011713674_100000211634 [0,1,0,0,0,1|1,0,0]=3 10882 B17R2.5301 Oc1cccc(c1)SCSc2ccccc2 62a_100011218342_100000211634 [0,1,0,0,0,1|2,0,0]=4 10883 B17R2.5301 Oc1ccnc(c1)SCCc2cccnc2 62a_200011713674_100000762945 [0,1,0,0,0,1|2,0,0]=4 10884 B17R2.5301 Oc1ccnc(n1)NCCc2cccnc2 27a_100000736294_100011649813 [0,1,0,0,0,1|2,0,0]=4 10885 B17R2.5301 Oc1cncc(c1)C=CCc2ccccc2 271570a_200016263579_100000754920 [0,1,0,0,0,1|1,0,1]=4 10886 B17R2.5301 Oc1cncc(c1)C=NNc2ccccc2 4a_100015195140_100012187055 [0,1,0,0,0,1|0,0,1]=3 10887 B17R2.5301 Oc1cncc(c1)C=NNc2ccccn2 4a_100000183288_100012187055 [0,1,0,0,0,1|1,0,1]=4 10888 B17R2.5301 Oc1cncc(c1)C=NNc2cccnc2 4a_100000728903_100012187055 [0,1,0,0,0,1|1,0,1]=4 10889 B17R2.5301 Oc1cncc(c1)C=NNc2ccncc2 4a_100000698918_100012187055 [0,1,0,0,0,1|1,0,1]=4 10890 B17R2.5301 Oc1cncc(c1)CNCc2ccccc2 207a_100015324214_100012187055 [0,1,0,0,0,1|0,0,0]=2 10891 B17R2.5301 Oc1cncc(c1)CNCc2ccccc2 270004a_100015324214_100012187055 [0,1,0,0,0,1|0,0,0]=2 10892 B17R2.5301 Oc1cncc(c1)CNCc2ccccn2 270004a_100000210449_100012187055 [0,1,0,0,0,1|1,0,0]=3 10893 B17R2.5301 Oc1cncc(c1)CNCc2cccnc2 207a_100000210453_100012187055 [0,1,0,0,0,1|1,0,0]=3 10894 B17R2.5301 Oc1cncc(c1)CNCc2cccnc2 270004a_100000210453_100012187055 [0,1,0,0,0,1|1,0,0]=3 10895 B17R2.5301 Oc1cncc(c1)CNCc2cncnc2 207a_100011243677_100012187055 [0,1,0,0,0,1|2,0,0]=4 10896 B17R2.5301 Oc1cncc(c1)CNCc2cncnc2 270004a_100011243677_100012187055 [0,1,0,0,0,1|2,0,0]=4 10897 B17R2.5301 Oc1cncc(c1)SCCc2ccccc2 62a_100000754920_100011218657 [0,1,0,0,0,1|1,0,0]=3 10898 B17R2.5301 Oc1cncc(c1)SCCc2ccccc2 62a_100000765856_100000754920 [0,1,0,0,0,1|1,0,0]=3 10899 B17R2.5301 Oc1cncc(c1)SCCc2ccccn2 62a_100000754920_100015183660 [0,1,0,0,0,1|2,0,0]=4 10900 B17R2.5301 Oc1cncc(c1)SCCc2ccccn2 62a_100015183660_100000754920 [0,1,0,0,0,1|2,0,0]=4 10901 B17R2.5301 Oc1cncc(c1)SCCc2cccnc2 62a_100000754920_200011713674 [0,1,0,0,0,1|2,0,0]=4 10902 B17R2.5301 Oc1cncc(c1)SCCc2cccnc2 62a_200011713674_100000754920 [0,1,0,0,0,1|2,0,0]=4 10903 B17R2.5301 Oc1cncc(c1)SCCc2ccncc2 62a_100000723409_100000754920 [0,1,0,0,0,1|2,0,0]=4 10904 B17R2.5301 Oc1cncc(c1)SCCc2ccncc2 62a_100000754920_100000723409 [0,1,0,0,0,1|2,0,0]=4 10905 B17R2.5301 Oc1cncc(c1)SCSc2ccccc2 62a_100000754920_100011218342 [0,1,0,0,0,1|1,0,0]=3 10906 B17R2.5301 Oc1cncc(c1)SCSc2ccccc2 62a_100011218342_100000754920 [0,1,0,0,0,1|1,0,0]=3 10907 B17R2.5301 Oc1cncc(n1)SCCc2ccccc2 62a_100000765856_100011269956 [0,1,0,0,0,1|2,0,0]=4 10908 B17R2.5301 Oc1cncc(n1)SCSc2ccccc2 62a_100011218342_100011269956 [0,1,0,0,0,1|2,0,0]=4 10909 B17R2.5301 Oc1cnnc(c1)SCCc2ccccc2 62a_100000765856_200010734679 [0,1,0,0,0,1|2,0,0]=4 10910 B17R2.5301 Oc1cnnc(c1)SCSc2ccccc2 62a_100011218342_200010734679 [0,1,0,0,0,1|2,0,0]=4 10911 B17R2.5301 [O-][n+]1cccc(c1)COCc2ccccc2 34a_100000037817_100015291786 [0,1,0,0,0,1|1,0,1]=4 10912 B17R2.5301 [O-][n+]1cccc(c1)COCc2ccccc2 7a_100000037817_100000211182 [0,1,0,0,0,1|1,0,1]=4 10913 B17R2.5301 [O-][n+]1cccc(c1)COCc2cccnc2 34a_100000037817_100000733263 [0,1,0,0,0,1|2,0,0]=4 10914 B17R2.5301 [O-][n+]1cccc(c1)COCc2cccnc2 7a_100000037817_100000741622 [0,1,0,0,0,1|2,0,0]=4 10915 B17R2.5301 [O-][n+]1cccc(c1)OCCc2ccccc2 34a_100000039713_100000765856 [0,1,0,0,0,1|1,0,1]=4 10916 B17R2.5301 [O-][n+]1cccc(c1)OCCc2ccccc2 7a_100000039713_100000765856 [0,1,0,0,0,1|1,0,1]=4 10917 B17R2.5301 [O-][n+]1cccc(c1)OCCc2cccnc2 7a_100000039713_200011713674 [0,1,0,0,0,1|2,0,0]=4 10918 B17R2.5301 [O-][n+]1cccc(c1)SCCc2ccccc2 62a_100000765856_100009815978 [0,1,0,0,0,1|1,0,1]=4 10919 B17R2.5301 [O-][n+]1cccc(c1)SCCc2cccnc2 62a_200011713674_100009815978 [0,1,0,0,0,1|2,0,0]=4 10920 B17R2.5301 [O-][n+]1cccc(c1)SCSc2ccccc2 62a_100011218342_100009815978 [0,1,0,0,0,1|1,0,1]=4 10921 B17R2.5301 [O-][n+]1ccnc(c1)NCCc2cccnc2 27a_100000736294_100009880115 [0,1,0,0,0,1|2,0,0]=4 10922 B17R2.5301 [S]c1cccc(c1)C=CCc2ccccc2 271570a_200016263579_114929384022 [0,1,0,0,0,1|2,0,0]=4 10923 B17R2.5301 [S]c1cccc(c1)SCCc2ccccc2 62a_100000765856_114929384022 [0,1,0,0,0,1|2,0,0]=4 10924 B17R2.5301 [S]c1cccc(c1)SCCc2ccccc2 62a_114929384022_100011218657 [0,1,0,0,0,1|2,0,0]=4 10925 B17R2.5301 [S]c1cccc(c1)SCCc2cccnc2 62a_114929384022_200011713674 [0,1,0,0,0,1|1,0,0]=3 10926 B17R2.5301 [S]c1cccc(c1)SCCc2cccnc2 62a_200011713674_114929384022 [0,1,0,0,0,1|1,0,0]=3 10927 B17R2.5301 [S]c1cccc(c1)SCSc2ccccc2 62a_100011218342_114929384022 [0,1,0,0,0,1|2,0,0]=4 10928 B17R2.5301 [S]c1cccc(c1)SCSc2ccccc2 62a_114929384022_100011218342 [0,1,0,0,0,1|2,0,0]=4 10929 B17R2.3395 O=c1cccccc1OCc2ccccc2 34a_100000036025_100015291786 [0,1,0,0,0,1|2,0,0]=4 10930 B17R2.3395 O=c1cccccc1OCc2ccccc2 7a_100000036025_100000211182 [0,1,0,0,0,1|2,0,0]=4 10931 B17R2.3395 O=c1cccccc1OCc2cccnc2 34a_100000036025_100000733263 [0,1,0,0,0,1|1,0,0]=3 10932 B17R2.3395 O=c1cccccc1OCc2cccnc2 7a_100000036025_100000741622 [0,1,0,0,0,1|1,0,0]=3 10933 B17R2.3395 O=c1cccccc1OCc2cccnn2 34a_100000036025_100016990269 [0,1,0,0,0,1|2,0,0]=4 10934 B17R2.3395 O=c1cccccc1OCc2cccnn2 7a_100000036025_100016990269 [0,1,0,0,0,1|2,0,0]=4 10935 B17R2.3395 O=c1cccccc1OCc2cnccn2 34a_100000036025_100016995436 [0,1,0,0,0,1|2,0,0]=4 10936 B17R2.3395 O=c1cccccc1OCc2cnccn2 7a_100000036025_100016995436 [0,1,0,0,0,1|2,0,0]=4 10937 B17R2.3395 O=c1cccccc1OCc2cncnc2 34a_100000036025_100015196519 [0,1,0,0,0,1|2,0,0]=4 10938 B17R2.3395 O=c1cccccc1OCc2cncnc2 7a_100000036025_100015196519 [0,1,0,0,0,1|2,0,0]=4 10939 B17R2.262 BrCc1ncccc1OCc2ccccc2 34a_200020655725_100015291786 [0,2,0,0,0,0|2,0,0]=4 10940 B17R2.262 BrCc1ncccc1OCc2ccccc2 7a_200020655725_100000211182 [0,2,0,0,0,0|2,0,0]=4 10941 B17R2.262 BrCc1ncccc1OCc2cccnc2 34a_200020655725_100000733263 [0,2,0,0,0,0|2,0,0]=4 10942 B17R2.262 BrCc1ncccc1OCc2cccnc2 7a_200020655725_100000741622 [0,2,0,0,0,0|2,0,0]=4 10943 B17R2.262 C#Cc1ccccc1NCc2ccccc2 34a_100011470550_100015291786 [0,2,0,0,0,0|1,0,0]=3 10944 B17R2.262 C#Cc1ccccc1NCc2ccccn2 34a_100011470550_100000721315 [0,2,0,0,0,0|2,0,0]=4 10945 B17R2.262 C#Cc1ccccc1NCc2cccnc2 34a_100011470550_100000733263 [0,2,0,0,0,0|0,0,0]=2 10946 B17R2.262 C#Cc1ccccc1NCc2cccnn2 34a_100011470550_100016990269 [0,2,0,0,0,0|1,0,0]=3 10947 B17R2.262 C#Cc1ccccc1NCc2cnccn2 34a_100011470550_100016995436 [0,2,0,0,0,0|1,0,0]=3 10948 B17R2.262 C#Cc1ccccc1NCc2cncnc2 34a_100011470550_100015196519 [0,2,0,0,0,0|1,0,0]=3 10949 B17R2.262 C#Cc1ccccc1OCc2ccccc2 34a_200011470546_100015291786 [0,2,0,0,0,0|2,0,0]=4 10950 B17R2.262 C#Cc1ccccc1OCc2ccccc2 7a_200011470546_100000211182 [0,2,0,0,0,0|2,0,0]=4 10951 B17R2.262 C#Cc1ccccc1OCc2cccnc2 34a_200011470546_100000733263 [0,2,0,0,0,0|1,0,0]=3 10952 B17R2.262 C#Cc1ccccc1OCc2cccnc2 7a_200011470546_100000741622 [0,2,0,0,0,0|1,0,0]=3 10953 B17R2.262 C#Cc1ccccc1OCc2cccnn2 34a_200011470546_100016990269 [0,2,0,0,0,0|2,0,0]=4 10954 B17R2.262 C#Cc1ccccc1OCc2cccnn2 7a_200011470546_100016990269 [0,2,0,0,0,0|2,0,0]=4 10955 B17R2.262 C#Cc1ccccc1OCc2cnccn2 34a_200011470546_100016995436 [0,2,0,0,0,0|2,0,0]=4 10956 B17R2.262 C#Cc1ccccc1OCc2cnccn2 7a_200011470546_100016995436 [0,2,0,0,0,0|2,0,0]=4 10957 B17R2.262 C#Cc1ccccc1OCc2cncnc2 34a_200011470546_100015196519 [0,2,0,0,0,0|2,0,0]=4 10958 B17R2.262 C#Cc1ccccc1OCc2cncnc2 7a_200011470546_100015196519 [0,2,0,0,0,0|2,0,0]=4 10959 B17R2.262 C=Cc1ccccc1CNc2ccccc2 270302a_100000106764_200011996377 [0,2,0,0,0,0|1,0,0]=3 10960 B17R2.262 C=Cc1ccccc1NCc2ccccc2 207a_100012022501_100015611070 [0,2,0,0,0,0|1,0,0]=3 10961 B17R2.262 C=Cc1ccccc1NCc2ccccc2 34a_100012022501_100015291786 [0,2,0,0,0,0|1,0,0]=3 10962 B17R2.262 C=Cc1ccccc1NCc2ccccn2 207a_100012022501_100000209966 [0,2,0,0,0,0|2,0,0]=4 10963 B17R2.262 C=Cc1ccccc1NCc2ccccn2 34a_100012022501_100000721315 [0,2,0,0,0,0|2,0,0]=4 10964 B17R2.262 C=Cc1ccccc1NCc2cccnc2 207a_100012022501_100000209961 [0,2,0,0,0,0|0,0,0]=2 10965 B17R2.262 C=Cc1ccccc1NCc2cccnc2 34a_100012022501_100000733263 [0,2,0,0,0,0|0,0,0]=2 10966 B17R2.262 C=Cc1ccccc1NCc2cccnn2 34a_100012022501_100016990269 [0,2,0,0,0,0|1,0,0]=3 10967 B17R2.262 C=Cc1ccccc1NCc2ccncc2 207a_100012022501_100000186114 [0,2,0,0,0,0|2,0,0]=4 10968 B17R2.262 C=Cc1ccccc1NCc2cnccn2 34a_100012022501_100016995436 [0,2,0,0,0,0|1,0,0]=3 10969 B17R2.262 C=Cc1ccccc1NCc2cncnc2 34a_100012022501_100015196519 [0,2,0,0,0,0|1,0,0]=3 10970 B17R2.262 C=Cc1ccccc1OCc2ccccc2 271570a_100011290941_100000151716 [0,2,0,0,0,0|2,0,0]=4 10971 B17R2.262 C=Cc1ccccc1SCc2ccccc2 62a_100000211182_100011218376 [0,2,0,0,0,0|2,0,0]=4 10972 B17R2.262 C=Cc1ccccc1SCc2ccccc2 62a_100011218376_100015291786 [0,2,0,0,0,0|2,0,0]=4 10973 B17R2.262 C=Cc1ccccc1SCc2cccnc2 62a_100000741622_100011218376 [0,2,0,0,0,0|1,0,0]=3 10974 B17R2.262 C=Cc1ccccc1SCc2cccnc2 62a_100011218376_100000741622 [0,2,0,0,0,0|1,0,0]=3 10975 B17R2.262 C=Cc1ccccc1SCc2cccnn2 62a_100011218376_100016990269 [0,2,0,0,0,0|2,0,0]=4 10976 B17R2.262 C=Cc1ccccc1SCc2cccnn2 62a_100016990269_100011218376 [0,2,0,0,0,0|2,0,0]=4 10977 B17R2.262 C=Cc1ccccc1SCc2cnccn2 62a_100011218376_100016995436 [0,2,0,0,0,0|2,0,0]=4 10978 B17R2.262 C=Cc1ccccc1SCc2cnccn2 62a_100016995436_100011218376 [0,2,0,0,0,0|2,0,0]=4 10979 B17R2.262 C=Cc1ccccc1SCc2cncnc2 62a_100011218376_100015196519 [0,2,0,0,0,0|2,0,0]=4 10980 B17R2.262 C=Cc1ccccc1SCc2cncnc2 62a_100015196519_100011218376 [0,2,0,0,0,0|2,0,0]=4 10981 B17R2.262 C=Cc1ncccc1OCc2ccccc2 271570a_100011290941_100011501402 [0,2,0,0,0,0|2,0,0]=4 10982 B17R2.262 CCc1ccccc1C=Cc2cccnc2 271570a_100102525586_100011215823 [0,2,0,0,0,0|1,0,1]=4 10983 B17R2.262 CCc1ccccc1CNc2ccccc2 207a_100000106764_100011219594 [0,2,0,0,0,0|1,0,0]=3 10984 B17R2.262 CCc1ccccc1CNc2ccccc2 270302a_100000106764_100011219594 [0,2,0,0,0,0|1,0,0]=3 10985 B17R2.262 CCc1ccccc1NCc2ccccc2 207a_100000212081_100015611070 [0,2,0,0,0,0|1,0,0]=3 10986 B17R2.262 CCc1ccccc1NCc2ccccc2 2230a_100000212081_100015291786 [0,2,0,0,0,0|1,0,0]=3 10987 B17R2.262 CCc1ccccc1NCc2ccccc2 270302a_100000212081_100015611070 [0,2,0,0,0,0|1,0,0]=3 10988 B17R2.262 CCc1ccccc1NCc2ccccc2 34a_100000212081_100015291786 [0,2,0,0,0,0|1,0,0]=3 10989 B17R2.262 CCc1ccccc1NCc2ccccc2 7a_100000212081_100000211182 [0,2,0,0,0,0|1,0,0]=3 10990 B17R2.262 CCc1ccccc1NCc2ccccn2 207a_100000212081_100000209966 [0,2,0,0,0,0|2,0,0]=4 10991 B17R2.262 CCc1ccccc1NCc2ccccn2 2230a_100000212081_100000721315 [0,2,0,0,0,0|2,0,0]=4 10992 B17R2.262 CCc1ccccc1NCc2ccccn2 270302a_100000212081_100000209966 [0,2,0,0,0,0|2,0,0]=4 10993 B17R2.262 CCc1ccccc1NCc2ccccn2 34a_100000212081_100000721315 [0,2,0,0,0,0|2,0,0]=4 10994 B17R2.262 CCc1ccccc1NCc2ccccn2 7a_100000212081_100000721315 [0,2,0,0,0,0|2,0,0]=4 10995 B17R2.262 CCc1ccccc1NCc2cccnc2 207a_100000212081_100000209961 [0,2,0,0,0,0|0,0,0]=2 10996 B17R2.262 CCc1ccccc1NCc2cccnc2 2230a_100000212081_100000741622 [0,2,0,0,0,0|0,0,0]=2 10997 B17R2.262 CCc1ccccc1NCc2cccnc2 270302a_100000212081_100000209961 [0,2,0,0,0,0|0,0,0]=2 10998 B17R2.262 CCc1ccccc1NCc2cccnc2 34a_100000212081_100000733263 [0,2,0,0,0,0|0,0,0]=2 10999 B17R2.262 CCc1ccccc1NCc2cccnc2 7a_100000212081_100000741622 [0,2,0,0,0,0|0,0,0]=2 11000 B17R2.262 CCc1ccccc1NCc2cccnn2 2230a_100000212081_100016990269 [0,2,0,0,0,0|1,0,0]=3 11001 B17R2.262 CCc1ccccc1NCc2cccnn2 34a_100000212081_100016990269 [0,2,0,0,0,0|1,0,0]=3 11002 B17R2.262 CCc1ccccc1NCc2cccnn2 7a_100000212081_100016990269 [0,2,0,0,0,0|1,0,0]=3 11003 B17R2.262 CCc1ccccc1NCc2ccncc2 207a_100000212081_100000186114 [0,2,0,0,0,0|2,0,0]=4 11004 B17R2.262 CCc1ccccc1NCc2ccncc2 2230a_100000212081_100015193705 [0,2,0,0,0,0|2,0,0]=4 11005 B17R2.262 CCc1ccccc1NCc2ccncc2 7a_100000212081_100015193705 [0,2,0,0,0,0|2,0,0]=4 11006 B17R2.262 CCc1ccccc1NCc2ccnnc2 270302a_100000212081_100011934578 [0,2,0,0,0,0|1,0,0]=3 11007 B17R2.262 CCc1ccccc1NCc2cnccn2 2230a_100000212081_100016995436 [0,2,0,0,0,0|1,0,0]=3 11008 B17R2.262 CCc1ccccc1NCc2cnccn2 34a_100000212081_100016995436 [0,2,0,0,0,0|1,0,0]=3 11009 B17R2.262 CCc1ccccc1NCc2cnccn2 7a_100000212081_100016995436 [0,2,0,0,0,0|1,0,0]=3 11010 B17R2.262 CCc1ccccc1NCc2cncnc2 2230a_100000212081_100015196519 [0,2,0,0,0,0|1,0,0]=3 11011 B17R2.262 CCc1ccccc1NCc2cncnc2 270302a_100000212081_100000749868 [0,2,0,0,0,0|1,0,0]=3 11012 B17R2.262 CCc1ccccc1NCc2cncnc2 34a_100000212081_100015196519 [0,2,0,0,0,0|1,0,0]=3 11013 B17R2.262 CCc1ccccc1NCc2cncnc2 7a_100000212081_100015196519 [0,2,0,0,0,0|1,0,0]=3 11014 B17R2.262 CCc1ccccc1OCc2ccccc2 34a_100000210936_100015291786 [0,2,0,0,0,0|2,0,0]=4 11015 B17R2.262 CCc1ccccc1OCc2ccccc2 7a_100000210936_100000211182 [0,2,0,0,0,0|2,0,0]=4 11016 B17R2.262 CCc1ccccc1OCc2cccnc2 34a_100000210936_100000733263 [0,2,0,0,0,0|1,0,0]=3 11017 B17R2.262 CCc1ccccc1OCc2cccnc2 7a_100000210936_100000741622 [0,2,0,0,0,0|1,0,0]=3 11018 B17R2.262 CCc1ccccc1OCc2cccnn2 34a_100000210936_100016990269 [0,2,0,0,0,0|2,0,0]=4 11019 B17R2.262 CCc1ccccc1OCc2cccnn2 7a_100000210936_100016990269 [0,2,0,0,0,0|2,0,0]=4 11020 B17R2.262 CCc1ccccc1OCc2cnccn2 34a_100000210936_100016995436 [0,2,0,0,0,0|2,0,0]=4 11021 B17R2.262 CCc1ccccc1OCc2cnccn2 7a_100000210936_100016995436 [0,2,0,0,0,0|2,0,0]=4 11022 B17R2.262 CCc1ccccc1OCc2cncnc2 34a_100000210936_100015196519 [0,2,0,0,0,0|2,0,0]=4 11023 B17R2.262 CCc1ccccc1OCc2cncnc2 7a_100000210936_100015196519 [0,2,0,0,0,0|2,0,0]=4 11024 B17R2.262 CCc1ccccc1SCc2ccccc2 62a_100000211182_100011215823 [0,2,0,0,0,0|2,0,0]=4 11025 B17R2.262 CCc1ccccc1SCc2ccccc2 62a_100011215823_100015291786 [0,2,0,0,0,0|2,0,0]=4 11026 B17R2.262 CCc1ccccc1SCc2cccnc2 62a_100000741622_100011215823 [0,2,0,0,0,0|1,0,0]=3 11027 B17R2.262 CCc1ccccc1SCc2cccnc2 62a_100011215823_100000741622 [0,2,0,0,0,0|1,0,0]=3 11028 B17R2.262 CCc1ccccc1SCc2cccnn2 62a_100011215823_100016990269 [0,2,0,0,0,0|2,0,0]=4 11029 B17R2.262 CCc1ccccc1SCc2cccnn2 62a_100016990269_100011215823 [0,2,0,0,0,0|2,0,0]=4 11030 B17R2.262 CCc1ccccc1SCc2cnccn2 62a_100011215823_100016995436 [0,2,0,0,0,0|2,0,0]=4 11031 B17R2.262 CCc1ccccc1SCc2cnccn2 62a_100016995436_100011215823 [0,2,0,0,0,0|2,0,0]=4 11032 B17R2.262 CCc1ccccc1SCc2cncnc2 62a_100011215823_100015196519 [0,2,0,0,0,0|2,0,0]=4 11033 B17R2.262 CCc1ccccc1SCc2cncnc2 62a_100015196519_100011215823 [0,2,0,0,0,0|2,0,0]=4 11034 B17R2.262 CCc1ccncc1C#Cc2ccccc2 271570a_100000069678_100009819861 [0,2,0,0,0,0|1,0,1]=4 11035 B17R2.262 CCc1ccncc1C=Cc2ccccc2 271570a_100102527694_100009819861 [0,2,0,0,0,0|1,0,1]=4 11036 B17R2.262 CCc1ccncc1SCc2ccccc2 62a_100000211182_100009819861 [0,2,0,0,0,0|2,0,0]=4 11037 B17R2.262 CCc1ccncc1SCc2ccccc2 62a_100009819861_100015291786 [0,2,0,0,0,0|2,0,0]=4 11038 B17R2.262 CCc1ccncc1SCc2cccnc2 62a_100000741622_100009819861 [0,2,0,0,0,0|2,0,0]=4 11039 B17R2.262 CCc1ccncc1SCc2cccnc2 62a_100009819861_100000741622 [0,2,0,0,0,0|2,0,0]=4 11040 B17R2.262 CCc1cnccc1SCc2cccnc2 62a_100000741622_100025704421 [0,2,0,0,0,0|2,0,0]=4 11041 B17R2.262 CCc1cnccc1SCc2cccnc2 62a_100025704421_100000741622 [0,2,0,0,0,0|2,0,0]=4 11042 B17R2.262 CCc1cncnc1NCc2cccnc2 27a_100000210453_200000100055 [0,2,0,0,0,0|2,0,0]=4 11043 B17R2.262 CCc1ncccc1C#Cc2ccccc2 271570a_100000069678_100009877225 [0,2,0,0,0,0|1,0,1]=4 11044 B17R2.262 CCc1ncccc1C=Cc2ccccc2 271570a_100102527694_100009877225 [0,2,0,0,0,0|1,0,1]=4 11045 B17R2.262 CCc1ncccc1SCc2ccccc2 62a_100000211182_100009877225 [0,2,0,0,0,0|2,0,0]=4 11046 B17R2.262 CCc1ncccc1SCc2ccccc2 62a_100009877225_100015291786 [0,2,0,0,0,0|2,0,0]=4 11047 B17R2.262 CCc1ncccc1SCc2cccnc2 62a_100000741622_100009877225 [0,2,0,0,0,0|2,0,0]=4 11048 B17R2.262 CCc1ncccc1SCc2cccnc2 62a_100009877225_100000741622 [0,2,0,0,0,0|2,0,0]=4 11049 B17R2.262 CCc1nccnc1NCc2cccnc2 27a_100000210453_100011995844 [0,2,0,0,0,0|2,0,0]=4 11050 B17R2.262 CCc1ncncc1NCc2cccnc2 27a_100000210453_100009816992 [0,2,0,0,0,0|2,0,0]=4 11051 B17R2.262 CNc1ccccc1C=Cc2cccnc2 271570a_100102525586_100020606079 [0,2,0,0,0,0|1,0,1]=4 11052 B17R2.262 CNc1ccccc1COc2ccccc2 2230a_100000742786_200000210301 [0,2,0,0,0,0|2,0,0]=4 11053 B17R2.262 CNc1ccccc1COc2ccccc2 34a_100000742786_200000210301 [0,2,0,0,0,0|2,0,0]=4 11054 B17R2.262 CNc1ccccc1COc2ccccc2 7a_100000742786_200000210301 [0,2,0,0,0,0|2,0,0]=4 11055 B17R2.262 CNc1ccccc1OCc2ccccc2 34a_100000033821_100015291786 [0,2,0,0,0,0|2,0,0]=4 11056 B17R2.262 CNc1ccccc1OCc2ccccc2 34a_100011193923_200000210301 [0,2,0,0,0,0|2,0,0]=4 11057 B17R2.262 CNc1ccccc1OCc2cccnc2 34a_100000033821_100000733263 [0,2,0,0,0,0|1,0,0]=3 11058 B17R2.262 CNc1ccccc1OCc2cccnn2 34a_100000033821_100016990269 [0,2,0,0,0,0|2,0,0]=4 11059 B17R2.262 CNc1ccccc1OCc2cnccn2 34a_100000033821_100016995436 [0,2,0,0,0,0|2,0,0]=4 11060 B17R2.262 CNc1ccccc1OCc2cncnc2 34a_100000033821_100015196519 [0,2,0,0,0,0|2,0,0]=4 11061 B17R2.262 CNc1ccccc1SCc2ccccc2 34a_100000198535_200000210301 [0,2,0,0,0,0|2,0,0]=4 11062 B17R2.262 CNc1ccccc1SCc2ccccc2 62a_100000211182_100020606079 [0,2,0,0,0,0|2,0,0]=4 11063 B17R2.262 CNc1ccccc1SCc2ccccc2 62a_100020606079_100015291786 [0,2,0,0,0,0|2,0,0]=4 11064 B17R2.262 CNc1ccccc1SCc2ccccc2 7a_100000198535_200000210301 [0,2,0,0,0,0|2,0,0]=4 11065 B17R2.262 CNc1ccccc1SCc2cccnc2 62a_100000741622_100020606079 [0,2,0,0,0,0|1,0,0]=3 11066 B17R2.262 CNc1ccccc1SCc2cccnc2 62a_100020606079_100000741622 [0,2,0,0,0,0|1,0,0]=3 11067 B17R2.262 CNc1ccccc1SCc2cccnn2 62a_100016990269_100020606079 [0,2,0,0,0,0|2,0,0]=4 11068 B17R2.262 CNc1ccccc1SCc2cccnn2 62a_100020606079_100016990269 [0,2,0,0,0,0|2,0,0]=4 11069 B17R2.262 CNc1ccccc1SCc2cnccn2 62a_100016995436_100020606079 [0,2,0,0,0,0|2,0,0]=4 11070 B17R2.262 CNc1ccccc1SCc2cnccn2 62a_100020606079_100016995436 [0,2,0,0,0,0|2,0,0]=4 11071 B17R2.262 CNc1ccccc1SCc2cncnc2 62a_100015196519_100020606079 [0,2,0,0,0,0|2,0,0]=4 11072 B17R2.262 CNc1ccccc1SCc2cncnc2 62a_100020606079_100015196519 [0,2,0,0,0,0|2,0,0]=4 11073 B17R2.262 CNc1cccnc1SCc2cccnc2 62a_100000741622_200011806188 [0,2,0,0,0,0|2,0,0]=4 11074 B17R2.262 CNc1ccncc1C#Cc2ccccc2 271570a_100000069678_100010069531 [0,2,0,0,0,0|1,0,1]=4 11075 B17R2.262 CNc1ccncc1C=Cc2ccccc2 271570a_100102527694_100010069531 [0,2,0,0,0,0|1,0,1]=4 11076 B17R2.262 CNc1ccncc1SCc2ccccc2 62a_100000211182_100010069531 [0,2,0,0,0,0|2,0,0]=4 11077 B17R2.262 CNc1ccncc1SCc2ccccc2 62a_100010069531_100015291786 [0,2,0,0,0,0|2,0,0]=4 11078 B17R2.262 CNc1ccncc1SCc2cccnc2 62a_100000741622_100010069531 [0,2,0,0,0,0|2,0,0]=4 11079 B17R2.262 CNc1ccncc1SCc2cccnc2 62a_100010069531_100000741622 [0,2,0,0,0,0|2,0,0]=4 11080 B17R2.262 CNc1ncccc1C#Cc2ccccc2 271570a_100000069678_100000700899 [0,2,0,0,0,0|1,0,1]=4 11081 B17R2.262 CNc1ncccc1C=Cc2ccccc2 271570a_100102527694_100000700899 [0,2,0,0,0,0|1,0,1]=4 11082 B17R2.262 CNc1ncccc1SCc2ccccc2 62a_100000211182_100000700899 [0,2,0,0,0,0|2,0,0]=4 11083 B17R2.262 CNc1ncccc1SCc2ccccc2 62a_100000700899_100015291786 [0,2,0,0,0,0|2,0,0]=4 11084 B17R2.262 CNc1ncccc1SCc2cccnc2 62a_100000700899_100000741622 [0,2,0,0,0,0|2,0,0]=4 11085 B17R2.262 CNc1ncccc1SCc2cccnc2 62a_100000741622_100000700899 [0,2,0,0,0,0|2,0,0]=4 11086 B17R2.262 COc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000174000 [0,2,0,0,0,0|1,0,1]=4 11087 B17R2.262 COc1ccccc1CNc2ccccc2 207a_100000106764_100000169842 [0,2,0,0,0,0|1,0,0]=3 11088 B17R2.262 COc1ccccc1CNc2ccccc2 270302a_100000106764_100000169842 [0,2,0,0,0,0|1,0,0]=3 11089 B17R2.262 COc1ccccc1CNc2ccccc2 34a_100000106764_100000210004 [0,2,0,0,0,0|1,0,0]=3 11090 B17R2.262 COc1ccccc1CNc2cccnc2 34a_200000712809_200000210301 [0,2,0,0,0,0|2,0,0]=4 11091 B17R2.262 COc1ccccc1COc2ccccc2 34a_100000210340_100000210004 [0,2,0,0,0,0|2,0,0]=4 11092 B17R2.262 COc1ccccc1COc2ccccc2 7a_100000210340_100000210004 [0,2,0,0,0,0|2,0,0]=4 11093 B17R2.262 COc1ccccc1COc2cccnc2 34a_100000210849_100000210004 [0,2,0,0,0,0|2,0,0]=4 11094 B17R2.262 COc1ccccc1COc2cccnc2 7a_100000210849_100000210004 [0,2,0,0,0,0|2,0,0]=4 11095 B17R2.262 COc1ccccc1CSc2ccccc2 62a_100000210004_100000041952 [0,2,0,0,0,0|2,0,0]=4 11096 B17R2.262 COc1ccccc1CSc2ccccc2 62a_100000719477_100000210004 [0,2,0,0,0,0|2,0,0]=4 11097 B17R2.262 COc1ccccc1CSc2cccnc2 62a_100000210004_100000210063 [0,2,0,0,0,0|2,0,0]=4 11098 B17R2.262 COc1ccccc1CSc2cccnc2 62a_100000210063_100000210004 [0,2,0,0,0,0|2,0,0]=4 11099 B17R2.262 COc1ccccc1NCc2ccccc2 207a_100000210025_100015611070 [0,2,0,0,0,0|1,0,0]=3 11100 B17R2.262 COc1ccccc1NCc2ccccc2 270302a_100000210025_100015611070 [0,2,0,0,0,0|1,0,0]=3 11101 B17R2.262 COc1ccccc1NCc2ccccc2 34a_100000210025_100015291786 [0,2,0,0,0,0|1,0,0]=3 11102 B17R2.262 COc1ccccc1NCc2ccccn2 207a_100000210025_100000209966 [0,2,0,0,0,0|2,0,0]=4 11103 B17R2.262 COc1ccccc1NCc2ccccn2 270302a_100000210025_100000209966 [0,2,0,0,0,0|2,0,0]=4 11104 B17R2.262 COc1ccccc1NCc2ccccn2 34a_100000210025_100000721315 [0,2,0,0,0,0|2,0,0]=4 11105 B17R2.262 COc1ccccc1NCc2cccnc2 207a_100000210025_100000209961 [0,2,0,0,0,0|0,0,0]=2 11106 B17R2.262 COc1ccccc1NCc2cccnc2 270302a_100000210025_100000209961 [0,2,0,0,0,0|0,0,0]=2 11107 B17R2.262 COc1ccccc1NCc2cccnc2 34a_100000210025_100000733263 [0,2,0,0,0,0|0,0,0]=2 11108 B17R2.262 COc1ccccc1NCc2cccnn2 34a_100000210025_100016990269 [0,2,0,0,0,0|1,0,0]=3 11109 B17R2.262 COc1ccccc1NCc2ccncc2 207a_100000210025_100000186114 [0,2,0,0,0,0|2,0,0]=4 11110 B17R2.262 COc1ccccc1NCc2ccnnc2 270302a_100000210025_100011934578 [0,2,0,0,0,0|1,0,0]=3 11111 B17R2.262 COc1ccccc1NCc2cnccn2 34a_100000210025_100016995436 [0,2,0,0,0,0|1,0,0]=3 11112 B17R2.262 COc1ccccc1NCc2cncnc2 270302a_100000210025_100000749868 [0,2,0,0,0,0|1,0,0]=3 11113 B17R2.262 COc1ccccc1NCc2cncnc2 34a_100000210025_100015196519 [0,2,0,0,0,0|1,0,0]=3 11114 B17R2.262 COc1ccccc1OCc2ccccc2 34a_100000187230_200000210301 [0,2,0,0,0,0|2,0,0]=4 11115 B17R2.262 COc1ccccc1OCc2ccccc2 34a_100000210385_100015291786 [0,2,0,0,0,0|2,0,0]=4 11116 B17R2.262 COc1ccccc1OCc2ccccc2 7a_100000187230_200000210301 [0,2,0,0,0,0|2,0,0]=4 11117 B17R2.262 COc1ccccc1OCc2cccnc2 34a_100000210385_100000733263 [0,2,0,0,0,0|1,0,0]=3 11118 B17R2.262 COc1ccccc1OCc2cccnn2 34a_100000210385_100016990269 [0,2,0,0,0,0|2,0,0]=4 11119 B17R2.262 COc1ccccc1OCc2cnccn2 34a_100000210385_100016995436 [0,2,0,0,0,0|2,0,0]=4 11120 B17R2.262 COc1ccccc1OCc2cncnc2 34a_100000210385_100015196519 [0,2,0,0,0,0|2,0,0]=4 11121 B17R2.262 COc1ccccc1SCc2ccccc2 62a_100000210334_100015291786 [0,2,0,0,0,0|2,0,0]=4 11122 B17R2.262 COc1ccccc1SCc2ccccc2 62a_100000211182_100000210334 [0,2,0,0,0,0|2,0,0]=4 11123 B17R2.262 COc1ccccc1SCc2cccnc2 62a_100000210334_100000741622 [0,2,0,0,0,0|1,0,0]=3 11124 B17R2.262 COc1ccccc1SCc2cccnc2 62a_100000741622_100000210334 [0,2,0,0,0,0|1,0,0]=3 11125 B17R2.262 COc1ccccc1SCc2cccnn2 62a_100000210334_100016990269 [0,2,0,0,0,0|2,0,0]=4 11126 B17R2.262 COc1ccccc1SCc2cccnn2 62a_100016990269_100000210334 [0,2,0,0,0,0|2,0,0]=4 11127 B17R2.262 COc1ccccc1SCc2cnccn2 62a_100000210334_100016995436 [0,2,0,0,0,0|2,0,0]=4 11128 B17R2.262 COc1ccccc1SCc2cnccn2 62a_100016995436_100000210334 [0,2,0,0,0,0|2,0,0]=4 11129 B17R2.262 COc1ccccc1SCc2cncnc2 62a_100000210334_100015196519 [0,2,0,0,0,0|2,0,0]=4 11130 B17R2.262 COc1ccccc1SCc2cncnc2 62a_100015196519_100000210334 [0,2,0,0,0,0|2,0,0]=4 11131 B17R2.262 COc1cccnc1CNc2ccccc2 207a_100000106764_100011912573 [0,2,0,0,0,0|2,0,0]=4 11132 B17R2.262 COc1cccnc1OCc2cccnc2 34a_100025773188_100000733263 [0,2,0,0,0,0|2,0,0]=4 11133 B17R2.262 COc1cccnc1SCc2cccnc2 62a_100000741622_100000690851 [0,2,0,0,0,0|2,0,0]=4 11134 B17R2.262 COc1cccnc1SCc2cccnc2 62a_100000767102_100000741622 [0,2,0,0,0,0|2,0,0]=4 11135 B17R2.262 COc1ccncc1C#Cc2ccccc2 271570a_100000069678_100011997281 [0,2,0,0,0,0|1,0,1]=4 11136 B17R2.262 COc1ccncc1C=Cc2ccccc2 271570a_100102527694_100011997281 [0,2,0,0,0,0|1,0,1]=4 11137 B17R2.262 COc1ccncc1CNc2ccccc2 207a_100000106764_200011997045 [0,2,0,0,0,0|0,0,0]=2 11138 B17R2.262 COc1ccncc1CNc2ccccc2 270302a_100000106764_200011997045 [0,2,0,0,0,0|0,0,0]=2 11139 B17R2.262 COc1ccncc1OCc2ccccc2 34a_100000101186_100015291786 [0,2,0,0,0,0|2,0,0]=4 11140 B17R2.262 COc1ccncc1OCc2cccnc2 34a_100000101186_100000733263 [0,2,0,0,0,0|2,0,0]=4 11141 B17R2.262 COc1ccncc1SCc2ccccc2 62a_100000211182_100011997281 [0,2,0,0,0,0|2,0,0]=4 11142 B17R2.262 COc1ccncc1SCc2ccccc2 62a_100011997281_100015291786 [0,2,0,0,0,0|2,0,0]=4 11143 B17R2.262 COc1ccncc1SCc2cccnc2 62a_100000741622_100011997281 [0,2,0,0,0,0|2,0,0]=4 11144 B17R2.262 COc1ccncc1SCc2cccnc2 62a_100011997281_100000741622 [0,2,0,0,0,0|2,0,0]=4 11145 B17R2.262 COc1cnccc1CNc2ccccc2 207a_100000106764_100011361505 [0,2,0,0,0,0|2,0,0]=4 11146 B17R2.262 COc1cnccc1CNc2ccccc2 270302a_100000106764_100011361505 [0,2,0,0,0,0|2,0,0]=4 11147 B17R2.262 COc1cnccc1SCc2cccnc2 62a_100000741622_100016988167 [0,2,0,0,0,0|2,0,0]=4 11148 B17R2.262 COc1cnccc1SCc2cccnc2 62a_100016988167_100000741622 [0,2,0,0,0,0|2,0,0]=4 11149 B17R2.262 COc1cncnc1NCc2cccnc2 27a_100000210453_100012001275 [0,2,0,0,0,0|2,0,0]=4 11150 B17R2.262 COc1ncccc1C#Cc2ccccc2 271570a_100000069678_100000047025 [0,2,0,0,0,0|1,0,1]=4 11151 B17R2.262 COc1ncccc1C=Cc2ccccc2 271570a_100102527694_100000047025 [0,2,0,0,0,0|1,0,1]=4 11152 B17R2.262 COc1ncccc1CNc2ccccc2 207a_100000106764_100011290804 [0,2,0,0,0,0|0,0,0]=2 11153 B17R2.262 COc1ncccc1CNc2ccccc2 270302a_100000106764_100011290804 [0,2,0,0,0,0|0,0,0]=2 11154 B17R2.262 COc1ncccc1CNc2ccccc2 34a_100000106764_100020631285 [0,2,0,0,0,0|0,0,0]=2 11155 B17R2.262 COc1ncccc1CNc2cccnn2 27a_100102524934_100016991348 [0,2,0,0,0,0|2,0,0]=4 11156 B17R2.262 COc1ncccc1CNc2ccncn2 27a_100102524934_100000703185 [0,2,0,0,0,0|2,0,0]=4 11157 B17R2.262 COc1ncccc1CNc2cnccn2 27a_100102524934_100000211759 [0,2,0,0,0,0|2,0,0]=4 11158 B17R2.262 COc1ncccc1CNc2ncccn2 27a_100102524934_100000211032 [0,2,0,0,0,0|2,0,0]=4 11159 B17R2.262 COc1ncccc1COc2ccccc2 34a_100000210340_100020631285 [0,2,0,0,0,0|1,0,0]=3 11160 B17R2.262 COc1ncccc1COc2ccccc2 7a_100000210340_100020631285 [0,2,0,0,0,0|1,0,0]=3 11161 B17R2.262 COc1ncccc1COc2cccnc2 34a_100000210849_100020631285 [0,2,0,0,0,0|2,0,0]=4 11162 B17R2.262 COc1ncccc1COc2cccnc2 7a_100000210849_100020631285 [0,2,0,0,0,0|2,0,0]=4 11163 B17R2.262 COc1ncccc1COc2ccncc2 34a_100000212176_100020631285 [0,2,0,0,0,0|2,0,0]=4 11164 B17R2.262 COc1ncccc1CSc2ccccc2 62a_100000719477_100020631285 [0,2,0,0,0,0|1,0,0]=3 11165 B17R2.262 COc1ncccc1CSc2ccccc2 62a_100020631285_100000041952 [0,2,0,0,0,0|1,0,0]=3 11166 B17R2.262 COc1ncccc1CSc2ccccn2 62a_100011216584_100020631285 [0,2,0,0,0,0|2,0,0]=4 11167 B17R2.262 COc1ncccc1CSc2ccccn2 62a_100020631285_100011216584 [0,2,0,0,0,0|2,0,0]=4 11168 B17R2.262 COc1ncccc1CSc2cccnc2 62a_100000210063_100020631285 [0,2,0,0,0,0|2,0,0]=4 11169 B17R2.262 COc1ncccc1CSc2cccnc2 62a_100020631285_100000210063 [0,2,0,0,0,0|2,0,0]=4 11170 B17R2.262 COc1ncccc1CSc2ccncc2 62a_100000728582_100020631285 [0,2,0,0,0,0|2,0,0]=4 11171 B17R2.262 COc1ncccc1CSc2ccncc2 62a_100020631285_100000728582 [0,2,0,0,0,0|2,0,0]=4 11172 B17R2.262 COc1ncccc1OCc2ccccc2 34a_100000698397_100015291786 [0,2,0,0,0,0|2,0,0]=4 11173 B17R2.262 COc1ncccc1OCc2ccccc2 7a_100000698397_100000211182 [0,2,0,0,0,0|2,0,0]=4 11174 B17R2.262 COc1ncccc1OCc2cccnc2 34a_100000698397_100000733263 [0,2,0,0,0,0|2,0,0]=4 11175 B17R2.262 COc1ncccc1OCc2cccnc2 7a_100000698397_100000741622 [0,2,0,0,0,0|2,0,0]=4 11176 B17R2.262 COc1ncccc1SCc2ccccc2 62a_100000047025_100015291786 [0,2,0,0,0,0|2,0,0]=4 11177 B17R2.262 COc1ncccc1SCc2ccccc2 62a_100000211182_100000047025 [0,2,0,0,0,0|2,0,0]=4 11178 B17R2.262 COc1ncccc1SCc2cccnc2 62a_100000047025_100000741622 [0,2,0,0,0,0|2,0,0]=4 11179 B17R2.262 COc1ncccc1SCc2cccnc2 62a_100000741622_100000047025 [0,2,0,0,0,0|2,0,0]=4 11180 B17R2.262 COc1nccnc1NCc2cccnc2 27a_100000210453_100009858322 [0,2,0,0,0,0|2,0,0]=4 11181 B17R2.262 CSc1ccccc1C=Cc2cccnc2 271570a_100102525586_100011217816 [0,2,0,0,0,0|1,0,1]=4 11182 B17R2.262 CSc1ccccc1CNc2ccccc2 207a_100000106764_100011217347 [0,2,0,0,0,0|1,0,0]=3 11183 B17R2.262 CSc1ccccc1CNc2ccccc2 34a_100000106764_100000699184 [0,2,0,0,0,0|1,0,0]=3 11184 B17R2.262 CSc1ccccc1COc2ccccc2 34a_100000210340_100000699184 [0,2,0,0,0,0|2,0,0]=4 11185 B17R2.262 CSc1ccccc1COc2ccccc2 7a_100000210340_100000699184 [0,2,0,0,0,0|2,0,0]=4 11186 B17R2.262 CSc1ccccc1COc2cccnc2 34a_100000210849_100000699184 [0,2,0,0,0,0|2,0,0]=4 11187 B17R2.262 CSc1ccccc1COc2cccnc2 7a_100000210849_100000699184 [0,2,0,0,0,0|2,0,0]=4 11188 B17R2.262 CSc1ccccc1CSc2ccccc2 62a_100000699184_100000041952 [0,2,0,0,0,0|2,0,0]=4 11189 B17R2.262 CSc1ccccc1CSc2ccccc2 62a_100000719477_100000699184 [0,2,0,0,0,0|2,0,0]=4 11190 B17R2.262 CSc1ccccc1CSc2cccnc2 62a_100000210063_100000699184 [0,2,0,0,0,0|2,0,0]=4 11191 B17R2.262 CSc1ccccc1CSc2cccnc2 62a_100000699184_100000210063 [0,2,0,0,0,0|2,0,0]=4 11192 B17R2.262 CSc1ccccc1NCc2ccccc2 207a_100000211160_100015611070 [0,2,0,0,0,0|1,0,0]=3 11193 B17R2.262 CSc1ccccc1NCc2ccccc2 270302a_100000211160_100015611070 [0,2,0,0,0,0|1,0,0]=3 11194 B17R2.262 CSc1ccccc1NCc2ccccc2 34a_100000211160_100015291786 [0,2,0,0,0,0|1,0,0]=3 11195 B17R2.262 CSc1ccccc1NCc2ccccn2 207a_100000211160_100000209966 [0,2,0,0,0,0|2,0,0]=4 11196 B17R2.262 CSc1ccccc1NCc2ccccn2 270302a_100000211160_100000209966 [0,2,0,0,0,0|2,0,0]=4 11197 B17R2.262 CSc1ccccc1NCc2ccccn2 34a_100000211160_100000721315 [0,2,0,0,0,0|2,0,0]=4 11198 B17R2.262 CSc1ccccc1NCc2cccnc2 207a_100000211160_100000209961 [0,2,0,0,0,0|0,0,0]=2 11199 B17R2.262 CSc1ccccc1NCc2cccnc2 270302a_100000211160_100000209961 [0,2,0,0,0,0|0,0,0]=2 11200 B17R2.262 CSc1ccccc1NCc2cccnc2 34a_100000211160_100000733263 [0,2,0,0,0,0|0,0,0]=2 11201 B17R2.262 CSc1ccccc1NCc2cccnn2 34a_100000211160_100016990269 [0,2,0,0,0,0|1,0,0]=3 11202 B17R2.262 CSc1ccccc1NCc2ccncc2 207a_100000211160_100000186114 [0,2,0,0,0,0|2,0,0]=4 11203 B17R2.262 CSc1ccccc1NCc2ccnnc2 270302a_100000211160_100011934578 [0,2,0,0,0,0|1,0,0]=3 11204 B17R2.262 CSc1ccccc1NCc2cnccn2 34a_100000211160_100016995436 [0,2,0,0,0,0|1,0,0]=3 11205 B17R2.262 CSc1ccccc1NCc2cncnc2 270302a_100000211160_100000749868 [0,2,0,0,0,0|1,0,0]=3 11206 B17R2.262 CSc1ccccc1NCc2cncnc2 34a_100000211160_100015196519 [0,2,0,0,0,0|1,0,0]=3 11207 B17R2.262 CSc1ccccc1OCc2ccccc2 34a_100011216402_100015291786 [0,2,0,0,0,0|2,0,0]=4 11208 B17R2.262 CSc1ccccc1OCc2ccccc2 62a_100000151716_200000210301 [0,2,0,0,0,0|2,0,0]=4 11209 B17R2.262 CSc1ccccc1OCc2ccccc2 62a_200000210301_100000151716 [0,2,0,0,0,0|2,0,0]=4 11210 B17R2.262 CSc1ccccc1OCc2cccnc2 34a_100011216402_100000733263 [0,2,0,0,0,0|1,0,0]=3 11211 B17R2.262 CSc1ccccc1OCc2cccnn2 34a_100011216402_100016990269 [0,2,0,0,0,0|2,0,0]=4 11212 B17R2.262 CSc1ccccc1OCc2cnccn2 34a_100011216402_100016995436 [0,2,0,0,0,0|2,0,0]=4 11213 B17R2.262 CSc1ccccc1OCc2cncnc2 34a_100011216402_100015196519 [0,2,0,0,0,0|2,0,0]=4 11214 B17R2.262 CSc1ccccc1SCc2ccccc2 62a_100000211182_100011217816 [0,2,0,0,0,0|2,0,0]=4 11215 B17R2.262 CSc1ccccc1SCc2ccccc2 62a_100011217816_100015291786 [0,2,0,0,0,0|2,0,0]=4 11216 B17R2.262 CSc1ccccc1SCc2cccnc2 62a_100000741622_100011217816 [0,2,0,0,0,0|1,0,0]=3 11217 B17R2.262 CSc1ccccc1SCc2cccnc2 62a_100011217816_100000741622 [0,2,0,0,0,0|1,0,0]=3 11218 B17R2.262 CSc1ccccc1SCc2cccnn2 62a_100011217816_100016990269 [0,2,0,0,0,0|2,0,0]=4 11219 B17R2.262 CSc1ccccc1SCc2cccnn2 62a_100016990269_100011217816 [0,2,0,0,0,0|2,0,0]=4 11220 B17R2.262 CSc1ccccc1SCc2cnccn2 62a_100011217816_100016995436 [0,2,0,0,0,0|2,0,0]=4 11221 B17R2.262 CSc1ccccc1SCc2cnccn2 62a_100016995436_100011217816 [0,2,0,0,0,0|2,0,0]=4 11222 B17R2.262 CSc1ccccc1SCc2cncnc2 62a_100011217816_100015196519 [0,2,0,0,0,0|2,0,0]=4 11223 B17R2.262 CSc1ccccc1SCc2cncnc2 62a_100015196519_100011217816 [0,2,0,0,0,0|2,0,0]=4 11224 B17R2.262 CSc1ncccc1C#Cc2ccccc2 271570a_100000069678_100011465278 [0,2,0,0,0,0|1,0,1]=4 11225 B17R2.262 CSc1ncccc1C=Cc2ccccc2 271570a_100102527694_100011465278 [0,2,0,0,0,0|1,0,1]=4 11226 B17R2.262 CSc1ncccc1OCc2ccccc2 62a_100011501402_200000210301 [0,2,0,0,0,0|2,0,0]=4 11227 B17R2.262 CSc1ncccc1OCc2ccccc2 62a_200000210301_100011501402 [0,2,0,0,0,0|2,0,0]=4 11228 B17R2.262 CSc1ncccc1SCc2ccccc2 62a_100000211182_100011465278 [0,2,0,0,0,0|2,0,0]=4 11229 B17R2.262 CSc1ncccc1SCc2ccccc2 62a_100011465278_100015291786 [0,2,0,0,0,0|2,0,0]=4 11230 B17R2.262 CSc1ncccc1SCc2cccnc2 62a_100000741622_100011465278 [0,2,0,0,0,0|2,0,0]=4 11231 B17R2.262 CSc1ncccc1SCc2cccnc2 62a_100011465278_100000741622 [0,2,0,0,0,0|2,0,0]=4 11232 B17R2.262 N#Cc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000188569 [0,2,0,0,0,0|1,0,1]=4 11233 B17R2.262 N#Cc1ccccc1CNc2ccccc2 34a_100000106764_100000181865 [0,2,0,0,0,0|1,0,0]=3 11234 B17R2.262 N#Cc1ccccc1COc2ccccc2 34a_100000210340_100000181865 [0,2,0,0,0,0|2,0,0]=4 11235 B17R2.262 N#Cc1ccccc1COc2ccccc2 7a_100000210340_100000181865 [0,2,0,0,0,0|2,0,0]=4 11236 B17R2.262 N#Cc1ccccc1COc2cccnc2 34a_100000210849_100000181865 [0,2,0,0,0,0|2,0,0]=4 11237 B17R2.262 N#Cc1ccccc1COc2cccnc2 7a_100000210849_100000181865 [0,2,0,0,0,0|2,0,0]=4 11238 B17R2.262 N#Cc1ccccc1CSc2ccccc2 62a_100000186380_100000041952 [0,2,0,0,0,0|2,0,0]=4 11239 B17R2.262 N#Cc1ccccc1CSc2ccccc2 62a_100000719477_100000181865 [0,2,0,0,0,0|2,0,0]=4 11240 B17R2.262 N#Cc1ccccc1CSc2cccnc2 62a_100000186380_100000210063 [0,2,0,0,0,0|2,0,0]=4 11241 B17R2.262 N#Cc1ccccc1CSc2cccnc2 62a_100000210063_100000181865 [0,2,0,0,0,0|2,0,0]=4 11242 B17R2.262 N#Cc1ccccc1NCc2ccccc2 270302a_100000211148_100015611070 [0,2,0,0,0,0|1,0,0]=3 11243 B17R2.262 N#Cc1ccccc1NCc2ccccc2 34a_100000211148_100015291786 [0,2,0,0,0,0|1,0,0]=3 11244 B17R2.262 N#Cc1ccccc1NCc2ccccn2 270302a_100000211148_100000209966 [0,2,0,0,0,0|2,0,0]=4 11245 B17R2.262 N#Cc1ccccc1NCc2ccccn2 34a_100000211148_100000721315 [0,2,0,0,0,0|2,0,0]=4 11246 B17R2.262 N#Cc1ccccc1NCc2cccnc2 270302a_100000211148_100000209961 [0,2,0,0,0,0|0,0,0]=2 11247 B17R2.262 N#Cc1ccccc1NCc2cccnc2 34a_100000211148_100000733263 [0,2,0,0,0,0|0,0,0]=2 11248 B17R2.262 N#Cc1ccccc1NCc2cccnn2 34a_100000211148_100016990269 [0,2,0,0,0,0|1,0,0]=3 11249 B17R2.262 N#Cc1ccccc1NCc2ccnnc2 270302a_100000211148_100011934578 [0,2,0,0,0,0|1,0,0]=3 11250 B17R2.262 N#Cc1ccccc1NCc2cnccn2 34a_100000211148_100016995436 [0,2,0,0,0,0|1,0,0]=3 11251 B17R2.262 N#Cc1ccccc1NCc2cncnc2 270302a_100000211148_100000749868 [0,2,0,0,0,0|1,0,0]=3 11252 B17R2.262 N#Cc1ccccc1NCc2cncnc2 34a_100000211148_100015196519 [0,2,0,0,0,0|1,0,0]=3 11253 B17R2.262 N#Cc1ccccc1OCc2ccccc2 34a_100000211048_100015291786 [0,2,0,0,0,0|2,0,0]=4 11254 B17R2.262 N#Cc1ccccc1OCc2ccccc2 7a_100000211048_100000211182 [0,2,0,0,0,0|2,0,0]=4 11255 B17R2.262 N#Cc1ccccc1OCc2cccnc2 34a_100000211048_100000733263 [0,2,0,0,0,0|1,0,0]=3 11256 B17R2.262 N#Cc1ccccc1OCc2cccnc2 7a_100000211048_100000741622 [0,2,0,0,0,0|1,0,0]=3 11257 B17R2.262 N#Cc1ccccc1OCc2cccnn2 34a_100000211048_100016990269 [0,2,0,0,0,0|2,0,0]=4 11258 B17R2.262 N#Cc1ccccc1OCc2cccnn2 7a_100000211048_100016990269 [0,2,0,0,0,0|2,0,0]=4 11259 B17R2.262 N#Cc1ccccc1OCc2cnccn2 34a_100000211048_100016995436 [0,2,0,0,0,0|2,0,0]=4 11260 B17R2.262 N#Cc1ccccc1OCc2cnccn2 7a_100000211048_100016995436 [0,2,0,0,0,0|2,0,0]=4 11261 B17R2.262 N#Cc1ccccc1OCc2cncnc2 34a_100000211048_100015196519 [0,2,0,0,0,0|2,0,0]=4 11262 B17R2.262 N#Cc1ccccc1OCc2cncnc2 7a_100000211048_100015196519 [0,2,0,0,0,0|2,0,0]=4 11263 B17R2.262 N#Cc1ccccc1SCc2ccccc2 62a_100000211182_100000188569 [0,2,0,0,0,0|2,0,0]=4 11264 B17R2.262 N#Cc1ccccc1SCc2cccnc2 62a_100000741622_100000188569 [0,2,0,0,0,0|1,0,0]=3 11265 B17R2.262 N#Cc1ccccc1SCc2cccnn2 62a_100016990269_100000188569 [0,2,0,0,0,0|2,0,0]=4 11266 B17R2.262 N#Cc1ccccc1SCc2cnccn2 62a_100016995436_100000188569 [0,2,0,0,0,0|2,0,0]=4 11267 B17R2.262 N#Cc1ccccc1SCc2cncnc2 62a_100015196519_100000188569 [0,2,0,0,0,0|2,0,0]=4 11268 B17R2.262 N#Cc1cccnc1NCc2ccccc2 27a_100015324214_100000211984 [0,2,0,0,0,0|2,0,0]=4 11269 B17R2.262 N#Cc1cccnc1NCc2cccnc2 27a_100000210453_100000211984 [0,2,0,0,0,0|1,0,0]=3 11270 B17R2.262 N#Cc1cccnc1NCc2cccnn2 27a_100159270163_100000211984 [0,2,0,0,0,0|2,0,0]=4 11271 B17R2.262 N#Cc1cccnc1NCc2cnccn2 27a_100000737960_100000211984 [0,2,0,0,0,0|2,0,0]=4 11272 B17R2.262 N#Cc1cccnc1NCc2cncnc2 27a_100011243677_100000211984 [0,2,0,0,0,0|2,0,0]=4 11273 B17R2.262 N#Cc1cccnc1SCc2cccnc2 62a_100000741622_100000211984 [0,2,0,0,0,0|2,0,0]=4 11274 B17R2.262 N#Cc1ccncc1C#Cc2ccccc2 271570a_100000069678_100000684818 [0,2,0,0,0,0|1,0,1]=4 11275 B17R2.262 N#Cc1ccncc1C=Cc2ccccc2 271570a_100102527694_100000684818 [0,2,0,0,0,0|1,0,1]=4 11276 B17R2.262 N#Cc1ccncc1NCc2ccccc2 27a_100015324214_100000684818 [0,2,0,0,0,0|2,0,0]=4 11277 B17R2.262 N#Cc1ccncc1NCc2cccnc2 27a_100000210453_100000684818 [0,2,0,0,0,0|1,0,0]=3 11278 B17R2.262 N#Cc1ccncc1NCc2cccnn2 27a_100159270163_100000684818 [0,2,0,0,0,0|2,0,0]=4 11279 B17R2.262 N#Cc1ccncc1NCc2cnccn2 27a_100000737960_100000684818 [0,2,0,0,0,0|2,0,0]=4 11280 B17R2.262 N#Cc1ccncc1NCc2cncnc2 27a_100011243677_100000684818 [0,2,0,0,0,0|2,0,0]=4 11281 B17R2.262 N#Cc1ccncc1OCc2ccccc2 7a_100012181322_100000211182 [0,2,0,0,0,0|2,0,0]=4 11282 B17R2.262 N#Cc1ccncc1OCc2cccnc2 7a_100012181322_100000741622 [0,2,0,0,0,0|2,0,0]=4 11283 B17R2.262 N#Cc1ccncc1SCc2ccccc2 62a_100000211182_100000684818 [0,2,0,0,0,0|2,0,0]=4 11284 B17R2.262 N#Cc1ccncc1SCc2cccnc2 62a_100000741622_100000684818 [0,2,0,0,0,0|2,0,0]=4 11285 B17R2.262 N#Cc1ccnnc1NCc2cccnc2 27a_100000210453_100000100742 [0,2,0,0,0,0|2,0,0]=4 11286 B17R2.262 N#Cc1cnccc1NCc2ccccc2 27a_100015324214_100000687039 [0,2,0,0,0,0|2,0,0]=4 11287 B17R2.262 N#Cc1cnccc1NCc2cccnc2 27a_100000210453_100000687039 [0,2,0,0,0,0|1,0,0]=3 11288 B17R2.262 N#Cc1cnccc1NCc2cccnn2 27a_100159270163_100000687039 [0,2,0,0,0,0|2,0,0]=4 11289 B17R2.262 N#Cc1cnccc1NCc2cnccn2 27a_100000737960_100000687039 [0,2,0,0,0,0|2,0,0]=4 11290 B17R2.262 N#Cc1cnccc1NCc2cncnc2 27a_100011243677_100000687039 [0,2,0,0,0,0|2,0,0]=4 11291 B17R2.262 N#Cc1cnccc1SCc2cccnc2 62a_100000741622_100000687039 [0,2,0,0,0,0|2,0,0]=4 11292 B17R2.262 N#Cc1cncnc1NCc2cccnc2 27a_100000210453_100000687955 [0,2,0,0,0,0|2,0,0]=4 11293 B17R2.262 N#Cc1ncccc1C#Cc2ccccc2 271570a_100000069678_100000685805 [0,2,0,0,0,0|1,0,1]=4 11294 B17R2.262 N#Cc1ncccc1C=Cc2ccccc2 271570a_100102527694_100000685805 [0,2,0,0,0,0|1,0,1]=4 11295 B17R2.262 N#Cc1ncccc1CNc2ccccc2 34a_100000106764_100011768898 [0,2,0,0,0,0|0,0,0]=2 11296 B17R2.262 N#Cc1ncccc1COc2ccccc2 34a_100000210340_100011768898 [0,2,0,0,0,0|1,0,0]=3 11297 B17R2.262 N#Cc1ncccc1COc2ccccc2 7a_100000210340_100011768898 [0,2,0,0,0,0|1,0,0]=3 11298 B17R2.262 N#Cc1ncccc1COc2cccnc2 34a_100000210849_100011768898 [0,2,0,0,0,0|2,0,0]=4 11299 B17R2.262 N#Cc1ncccc1COc2cccnc2 7a_100000210849_100011768898 [0,2,0,0,0,0|2,0,0]=4 11300 B17R2.262 N#Cc1ncccc1COc2ccncc2 34a_100000212176_100011768898 [0,2,0,0,0,0|2,0,0]=4 11301 B17R2.262 N#Cc1ncccc1CSc2ccccc2 62a_100000719477_100011768898 [0,2,0,0,0,0|1,0,0]=3 11302 B17R2.262 N#Cc1ncccc1CSc2ccccn2 62a_100011216584_100011768898 [0,2,0,0,0,0|2,0,0]=4 11303 B17R2.262 N#Cc1ncccc1CSc2cccnc2 62a_100000210063_100011768898 [0,2,0,0,0,0|2,0,0]=4 11304 B17R2.262 N#Cc1ncccc1CSc2ccncc2 62a_100000728582_100011768898 [0,2,0,0,0,0|2,0,0]=4 11305 B17R2.262 N#Cc1ncccc1OCc2ccccc2 34a_100000722750_100015291786 [0,2,0,0,0,0|2,0,0]=4 11306 B17R2.262 N#Cc1ncccc1OCc2ccccc2 7a_100000722750_100000211182 [0,2,0,0,0,0|2,0,0]=4 11307 B17R2.262 N#Cc1ncccc1OCc2cccnc2 34a_100000722750_100000733263 [0,2,0,0,0,0|2,0,0]=4 11308 B17R2.262 N#Cc1ncccc1OCc2cccnc2 7a_100000722750_100000741622 [0,2,0,0,0,0|2,0,0]=4 11309 B17R2.262 N#Cc1ncccc1SCc2ccccc2 62a_100000211182_100000685805 [0,2,0,0,0,0|2,0,0]=4 11310 B17R2.262 N#Cc1ncccc1SCc2cccnc2 62a_100000741622_100000685805 [0,2,0,0,0,0|2,0,0]=4 11311 B17R2.262 N#Cc1nccnc1NCc2cccnc2 27a_100000210453_100000040484 [0,2,0,0,0,0|2,0,0]=4 11312 B17R2.262 N#Cc1ncncc1NCc2cccnc2 27a_100000210453_100012001395 [0,2,0,0,0,0|2,0,0]=4 11313 B17R2.262 NCc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000689332 [0,2,0,0,0,0|1,0,1]=4 11314 B17R2.262 NCc1ccccc1OCc2ccccc2 34a_100000185550_100015291786 [0,2,0,0,0,0|2,0,0]=4 11315 B17R2.262 NCc1ccccc1OCc2cccnc2 34a_100000185550_100000733263 [0,2,0,0,0,0|1,0,0]=3 11316 B17R2.262 NCc1ccccc1OCc2cccnn2 34a_100000185550_100016990269 [0,2,0,0,0,0|2,0,0]=4 11317 B17R2.262 NCc1ccccc1OCc2cnccn2 34a_100000185550_100016995436 [0,2,0,0,0,0|2,0,0]=4 11318 B17R2.262 NCc1ccccc1OCc2cncnc2 34a_100000185550_100015196519 [0,2,0,0,0,0|2,0,0]=4 11319 B17R2.262 NCc1ccccc1SCc2ccccc2 62a_100000211182_100000689332 [0,2,0,0,0,0|2,0,0]=4 11320 B17R2.262 NCc1ccccc1SCc2ccccc2 62a_100000689332_100015291786 [0,2,0,0,0,0|2,0,0]=4 11321 B17R2.262 NCc1ccccc1SCc2cccnc2 62a_100000689332_100000741622 [0,2,0,0,0,0|1,0,0]=3 11322 B17R2.262 NCc1ccccc1SCc2cccnc2 62a_100000741622_100000689332 [0,2,0,0,0,0|1,0,0]=3 11323 B17R2.262 NCc1ccccc1SCc2cccnn2 62a_100000689332_100016990269 [0,2,0,0,0,0|2,0,0]=4 11324 B17R2.262 NCc1ccccc1SCc2cccnn2 62a_100016990269_100000689332 [0,2,0,0,0,0|2,0,0]=4 11325 B17R2.262 NCc1ccccc1SCc2cnccn2 62a_100000689332_100016995436 [0,2,0,0,0,0|2,0,0]=4 11326 B17R2.262 NCc1ccccc1SCc2cnccn2 62a_100016995436_100000689332 [0,2,0,0,0,0|2,0,0]=4 11327 B17R2.262 NCc1ccccc1SCc2cncnc2 62a_100000689332_100015196519 [0,2,0,0,0,0|2,0,0]=4 11328 B17R2.262 NCc1ccccc1SCc2cncnc2 62a_100015196519_100000689332 [0,2,0,0,0,0|2,0,0]=4 11329 B17R2.262 NCc1cccnc1SCc2cccnc2 62a_100000741622_100015189234 [0,2,0,0,0,0|2,0,0]=4 11330 B17R2.262 NCc1cccnc1SCc2cccnc2 62a_100015189234_100000741622 [0,2,0,0,0,0|2,0,0]=4 11331 B17R2.262 NCc1ccncc1C#Cc2ccccc2 271570a_100000069678_100020640021 [0,2,0,0,0,0|1,0,1]=4 11332 B17R2.262 NCc1ccncc1C=Cc2ccccc2 271570a_100102527694_100020640021 [0,2,0,0,0,0|1,0,1]=4 11333 B17R2.262 NCc1ccncc1SCc2ccccc2 62a_100000211182_100020640021 [0,2,0,0,0,0|2,0,0]=4 11334 B17R2.262 NCc1ccncc1SCc2ccccc2 62a_100020640021_100015291786 [0,2,0,0,0,0|2,0,0]=4 11335 B17R2.262 NCc1ccncc1SCc2cccnc2 62a_100000741622_100020640021 [0,2,0,0,0,0|2,0,0]=4 11336 B17R2.262 NCc1ccncc1SCc2cccnc2 62a_100020640021_100000741622 [0,2,0,0,0,0|2,0,0]=4 11337 B17R2.262 NCc1ncccc1C#Cc2ccccc2 271570a_100000069678_100020591323 [0,2,0,0,0,0|1,0,1]=4 11338 B17R2.262 NCc1ncccc1C=Cc2ccccc2 271570a_100102527694_100020591323 [0,2,0,0,0,0|1,0,1]=4 11339 B17R2.262 NCc1ncccc1SCc2ccccc2 62a_100000211182_100020591323 [0,2,0,0,0,0|2,0,0]=4 11340 B17R2.262 NCc1ncccc1SCc2ccccc2 62a_100020591323_100015291786 [0,2,0,0,0,0|2,0,0]=4 11341 B17R2.262 NCc1ncccc1SCc2cccnc2 62a_100000741622_100020591323 [0,2,0,0,0,0|2,0,0]=4 11342 B17R2.262 NCc1ncccc1SCc2cccnc2 62a_100020591323_100000741622 [0,2,0,0,0,0|2,0,0]=4 11343 B17R2.262 NNc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000241748 [0,2,0,0,0,0|1,0,1]=4 11344 B17R2.262 NNc1ccccc1SCc2ccccc2 62a_100000211182_100000241748 [0,2,0,0,0,0|2,0,0]=4 11345 B17R2.262 NNc1ccccc1SCc2ccccc2 62a_100000241748_100015291786 [0,2,0,0,0,0|2,0,0]=4 11346 B17R2.262 NNc1ccccc1SCc2cccnc2 62a_100000241748_100000741622 [0,2,0,0,0,0|1,0,0]=3 11347 B17R2.262 NNc1ccccc1SCc2cccnc2 62a_100000741622_100000241748 [0,2,0,0,0,0|1,0,0]=3 11348 B17R2.262 NNc1ccccc1SCc2cccnn2 62a_100000241748_100016990269 [0,2,0,0,0,0|2,0,0]=4 11349 B17R2.262 NNc1ccccc1SCc2cccnn2 62a_100016990269_100000241748 [0,2,0,0,0,0|2,0,0]=4 11350 B17R2.262 NNc1ccccc1SCc2cnccn2 62a_100000241748_100016995436 [0,2,0,0,0,0|2,0,0]=4 11351 B17R2.262 NNc1ccccc1SCc2cnccn2 62a_100016995436_100000241748 [0,2,0,0,0,0|2,0,0]=4 11352 B17R2.262 NNc1ccccc1SCc2cncnc2 62a_100000241748_100015196519 [0,2,0,0,0,0|2,0,0]=4 11353 B17R2.262 NNc1ccccc1SCc2cncnc2 62a_100015196519_100000241748 [0,2,0,0,0,0|2,0,0]=4 11354 B17R2.262 NNc1ccncc1C#Cc2ccccc2 271570a_100000069678_100013404636 [0,2,0,0,0,0|1,0,1]=4 11355 B17R2.262 NNc1ccncc1C=Cc2ccccc2 271570a_100102527694_100013404636 [0,2,0,0,0,0|1,0,1]=4 11356 B17R2.262 NNc1ccncc1SCc2ccccc2 62a_100000211182_100013404636 [0,2,0,0,0,0|2,0,0]=4 11357 B17R2.262 NNc1ccncc1SCc2ccccc2 62a_100013404636_100015291786 [0,2,0,0,0,0|2,0,0]=4 11358 B17R2.262 NNc1ccncc1SCc2cccnc2 62a_100000741622_100013404636 [0,2,0,0,0,0|2,0,0]=4 11359 B17R2.262 NNc1ccncc1SCc2cccnc2 62a_100013404636_100000741622 [0,2,0,0,0,0|2,0,0]=4 11360 B17R2.262 NNc1ncccc1C#Cc2ccccc2 271570a_100000069678_100011464834 [0,2,0,0,0,0|1,0,1]=4 11361 B17R2.262 NNc1ncccc1C=Cc2ccccc2 271570a_100102527694_100011464834 [0,2,0,0,0,0|1,0,1]=4 11362 B17R2.262 NNc1ncccc1SCc2ccccc2 62a_100000211182_100011464834 [0,2,0,0,0,0|2,0,0]=4 11363 B17R2.262 NNc1ncccc1SCc2ccccc2 62a_100011464834_100015291786 [0,2,0,0,0,0|2,0,0]=4 11364 B17R2.262 NNc1ncccc1SCc2cccnc2 62a_100000741622_100011464834 [0,2,0,0,0,0|2,0,0]=4 11365 B17R2.262 NNc1ncccc1SCc2cccnc2 62a_100011464834_100000741622 [0,2,0,0,0,0|2,0,0]=4 11366 B17R2.262 O=Cc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000211189 [0,2,0,0,0,0|1,0,1]=4 11367 B17R2.262 O=Cc1ccccc1CNc2ccccc2 34a_100000106764_200009853537 [0,2,0,0,0,0|1,0,0]=3 11368 B17R2.262 O=Cc1ccccc1COc2ccccc2 34a_100000210340_200009853537 [0,2,0,0,0,0|2,0,0]=4 11369 B17R2.262 O=Cc1ccccc1COc2ccccc2 7a_100000210340_200009853537 [0,2,0,0,0,0|2,0,0]=4 11370 B17R2.262 O=Cc1ccccc1COc2cccnc2 34a_100000210849_200009853537 [0,2,0,0,0,0|2,0,0]=4 11371 B17R2.262 O=Cc1ccccc1COc2cccnc2 7a_100000210849_200009853537 [0,2,0,0,0,0|2,0,0]=4 11372 B17R2.262 O=Cc1ccccc1CSc2ccccc2 62a_100000719477_200009853537 [0,2,0,0,0,0|2,0,0]=4 11373 B17R2.262 O=Cc1ccccc1CSc2ccccc2 62a_200009853537_100000041952 [0,2,0,0,0,0|2,0,0]=4 11374 B17R2.262 O=Cc1ccccc1CSc2cccnc2 62a_100000210063_200009853537 [0,2,0,0,0,0|2,0,0]=4 11375 B17R2.262 O=Cc1ccccc1CSc2cccnc2 62a_200009853537_100000210063 [0,2,0,0,0,0|2,0,0]=4 11376 B17R2.262 O=Cc1ccccc1SCc2ccccc2 62a_100000210073_100015291786 [0,2,0,0,0,0|2,0,0]=4 11377 B17R2.262 O=Cc1ccccc1SCc2ccccc2 62a_100000211182_100000210073 [0,2,0,0,0,0|2,0,0]=4 11378 B17R2.262 O=Cc1ccccc1SCc2cccnc2 62a_100000210073_100000741622 [0,2,0,0,0,0|1,0,0]=3 11379 B17R2.262 O=Cc1ccccc1SCc2cccnc2 62a_100000741622_100000210073 [0,2,0,0,0,0|1,0,0]=3 11380 B17R2.262 O=Cc1ccccc1SCc2cccnn2 62a_100000210073_100016990269 [0,2,0,0,0,0|2,0,0]=4 11381 B17R2.262 O=Cc1ccccc1SCc2cccnn2 62a_100016990269_100000210073 [0,2,0,0,0,0|2,0,0]=4 11382 B17R2.262 O=Cc1ccccc1SCc2cnccn2 62a_100000210073_100016995436 [0,2,0,0,0,0|2,0,0]=4 11383 B17R2.262 O=Cc1ccccc1SCc2cnccn2 62a_100016995436_100000210073 [0,2,0,0,0,0|2,0,0]=4 11384 B17R2.262 O=Cc1ccccc1SCc2cncnc2 62a_100000210073_100015196519 [0,2,0,0,0,0|2,0,0]=4 11385 B17R2.262 O=Cc1ccccc1SCc2cncnc2 62a_100015196519_100000210073 [0,2,0,0,0,0|2,0,0]=4 11386 B17R2.262 O=Cc1cccnc1SCc2cccnc2 62a_100000741622_100009816751 [0,2,0,0,0,0|2,0,0]=4 11387 B17R2.262 O=Cc1cccnc1SCc2cccnc2 62a_100009816751_100000741622 [0,2,0,0,0,0|2,0,0]=4 11388 B17R2.262 O=Cc1ccncc1C#Cc2ccccc2 271570a_100000069678_100011934409 [0,2,0,0,0,0|1,0,1]=4 11389 B17R2.262 O=Cc1ccncc1C=Cc2ccccc2 271570a_100102527694_100011934409 [0,2,0,0,0,0|1,0,1]=4 11390 B17R2.262 O=Cc1ccncc1SCc2ccccc2 62a_100000211182_100011934409 [0,2,0,0,0,0|2,0,0]=4 11391 B17R2.262 O=Cc1ccncc1SCc2ccccc2 62a_100011934409_100015291786 [0,2,0,0,0,0|2,0,0]=4 11392 B17R2.262 O=Cc1ccncc1SCc2cccnc2 62a_100000741622_100011934409 [0,2,0,0,0,0|2,0,0]=4 11393 B17R2.262 O=Cc1ccncc1SCc2cccnc2 62a_100011934409_100000741622 [0,2,0,0,0,0|2,0,0]=4 11394 B17R2.262 O=Cc1cnccc1SCc2cccnc2 62a_100000050567_100000741622 [0,2,0,0,0,0|2,0,0]=4 11395 B17R2.262 O=Cc1cnccc1SCc2cccnc2 62a_100000741622_100000050567 [0,2,0,0,0,0|2,0,0]=4 11396 B17R2.262 O=Cc1ncccc1C#Cc2ccccc2 271570a_100000069678_100011934733 [0,2,0,0,0,0|1,0,1]=4 11397 B17R2.262 O=Cc1ncccc1C=Cc2ccccc2 271570a_100102527694_100011934733 [0,2,0,0,0,0|1,0,1]=4 11398 B17R2.262 O=Cc1ncccc1SCc2ccccc2 62a_100000211182_100011934733 [0,2,0,0,0,0|2,0,0]=4 11399 B17R2.262 O=Cc1ncccc1SCc2ccccc2 62a_100011934733_100015291786 [0,2,0,0,0,0|2,0,0]=4 11400 B17R2.262 O=Cc1ncccc1SCc2cccnc2 62a_100000741622_100011934733 [0,2,0,0,0,0|2,0,0]=4 11401 B17R2.262 O=Cc1ncccc1SCc2cccnc2 62a_100011934733_100000741622 [0,2,0,0,0,0|2,0,0]=4 11402 B17R2.262 OCc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000187465 [0,2,0,0,0,0|1,0,1]=4 11403 B17R2.262 OCc1ccccc1CNc2ccccc2 34a_100000106764_100009816955 [0,2,0,0,0,0|1,0,0]=3 11404 B17R2.262 OCc1ccccc1COc2ccccc2 34a_100000210340_100009816955 [0,2,0,0,0,0|2,0,0]=4 11405 B17R2.262 OCc1ccccc1COc2ccccc2 7a_100000210340_100009816955 [0,2,0,0,0,0|2,0,0]=4 11406 B17R2.262 OCc1ccccc1COc2cccnc2 34a_100000210849_100009816955 [0,2,0,0,0,0|2,0,0]=4 11407 B17R2.262 OCc1ccccc1COc2cccnc2 7a_100000210849_100009816955 [0,2,0,0,0,0|2,0,0]=4 11408 B17R2.262 OCc1ccccc1CSc2ccccc2 62a_100000719477_100009816955 [0,2,0,0,0,0|2,0,0]=4 11409 B17R2.262 OCc1ccccc1CSc2ccccc2 62a_100009816955_100000041952 [0,2,0,0,0,0|2,0,0]=4 11410 B17R2.262 OCc1ccccc1CSc2cccnc2 62a_100000210063_100009816955 [0,2,0,0,0,0|2,0,0]=4 11411 B17R2.262 OCc1ccccc1CSc2cccnc2 62a_100009816955_100000210063 [0,2,0,0,0,0|2,0,0]=4 11412 B17R2.262 OCc1ccccc1NCc2ccccc2 207a_100000212039_100015611070 [0,2,0,0,0,0|1,0,0]=3 11413 B17R2.262 OCc1ccccc1NCc2ccccc2 270302a_100000212039_100015611070 [0,2,0,0,0,0|1,0,0]=3 11414 B17R2.262 OCc1ccccc1NCc2ccccc2 34a_100000212039_100015291786 [0,2,0,0,0,0|1,0,0]=3 11415 B17R2.262 OCc1ccccc1NCc2ccccn2 207a_100000212039_100000209966 [0,2,0,0,0,0|2,0,0]=4 11416 B17R2.262 OCc1ccccc1NCc2ccccn2 270302a_100000212039_100000209966 [0,2,0,0,0,0|2,0,0]=4 11417 B17R2.262 OCc1ccccc1NCc2ccccn2 34a_100000212039_100000721315 [0,2,0,0,0,0|2,0,0]=4 11418 B17R2.262 OCc1ccccc1NCc2cccnc2 207a_100000212039_100000209961 [0,2,0,0,0,0|0,0,0]=2 11419 B17R2.262 OCc1ccccc1NCc2cccnc2 270302a_100000212039_100000209961 [0,2,0,0,0,0|0,0,0]=2 11420 B17R2.262 OCc1ccccc1NCc2cccnc2 34a_100000212039_100000733263 [0,2,0,0,0,0|0,0,0]=2 11421 B17R2.262 OCc1ccccc1NCc2cccnn2 34a_100000212039_100016990269 [0,2,0,0,0,0|1,0,0]=3 11422 B17R2.262 OCc1ccccc1NCc2ccncc2 207a_100000212039_100000186114 [0,2,0,0,0,0|2,0,0]=4 11423 B17R2.262 OCc1ccccc1NCc2ccnnc2 270302a_100000212039_100011934578 [0,2,0,0,0,0|1,0,0]=3 11424 B17R2.262 OCc1ccccc1NCc2cnccn2 34a_100000212039_100016995436 [0,2,0,0,0,0|1,0,0]=3 11425 B17R2.262 OCc1ccccc1NCc2cncnc2 270302a_100000212039_100000749868 [0,2,0,0,0,0|1,0,0]=3 11426 B17R2.262 OCc1ccccc1NCc2cncnc2 34a_100000212039_100015196519 [0,2,0,0,0,0|1,0,0]=3 11427 B17R2.262 OCc1ccccc1OCc2ccccc2 34a_100011216872_100015291786 [0,2,0,0,0,0|2,0,0]=4 11428 B17R2.262 OCc1ccccc1OCc2cccnc2 34a_100011216872_100000733263 [0,2,0,0,0,0|1,0,0]=3 11429 B17R2.262 OCc1ccccc1OCc2cccnn2 34a_100011216872_100016990269 [0,2,0,0,0,0|2,0,0]=4 11430 B17R2.262 OCc1ccccc1OCc2cnccn2 34a_100011216872_100016995436 [0,2,0,0,0,0|2,0,0]=4 11431 B17R2.262 OCc1ccccc1OCc2cncnc2 34a_100011216872_100015196519 [0,2,0,0,0,0|2,0,0]=4 11432 B17R2.262 OCc1ccccc1SCc2ccccc2 62a_100000187465_100015291786 [0,2,0,0,0,0|2,0,0]=4 11433 B17R2.262 OCc1ccccc1SCc2ccccc2 62a_100000211182_100000187465 [0,2,0,0,0,0|2,0,0]=4 11434 B17R2.262 OCc1ccccc1SCc2cccnc2 62a_100000187465_100000741622 [0,2,0,0,0,0|1,0,0]=3 11435 B17R2.262 OCc1ccccc1SCc2cccnc2 62a_100000741622_100000187465 [0,2,0,0,0,0|1,0,0]=3 11436 B17R2.262 OCc1ccccc1SCc2cccnn2 62a_100000187465_100016990269 [0,2,0,0,0,0|2,0,0]=4 11437 B17R2.262 OCc1ccccc1SCc2cccnn2 62a_100016990269_100000187465 [0,2,0,0,0,0|2,0,0]=4 11438 B17R2.262 OCc1ccccc1SCc2cnccn2 62a_100000187465_100016995436 [0,2,0,0,0,0|2,0,0]=4 11439 B17R2.262 OCc1ccccc1SCc2cnccn2 62a_100016995436_100000187465 [0,2,0,0,0,0|2,0,0]=4 11440 B17R2.262 OCc1ccccc1SCc2cncnc2 62a_100000187465_100015196519 [0,2,0,0,0,0|2,0,0]=4 11441 B17R2.262 OCc1ccccc1SCc2cncnc2 62a_100015196519_100000187465 [0,2,0,0,0,0|2,0,0]=4 11442 B17R2.262 OCc1cccnc1SCc2cccnc2 62a_100000741622_100000748726 [0,2,0,0,0,0|2,0,0]=4 11443 B17R2.262 OCc1cccnc1SCc2cccnc2 62a_100000748726_100000741622 [0,2,0,0,0,0|2,0,0]=4 11444 B17R2.262 OCc1ccncc1C#Cc2ccccc2 271570a_100000069678_100009873359 [0,2,0,0,0,0|1,0,1]=4 11445 B17R2.262 OCc1ccncc1C=Cc2ccccc2 271570a_100102527694_100009873359 [0,2,0,0,0,0|1,0,1]=4 11446 B17R2.262 OCc1ccncc1OCc2ccccc2 34a_100000078615_100015291786 [0,2,0,0,0,0|2,0,0]=4 11447 B17R2.262 OCc1ccncc1OCc2cccnc2 34a_100000078615_100000733263 [0,2,0,0,0,0|2,0,0]=4 11448 B17R2.262 OCc1ccncc1SCc2ccccc2 62a_100000211182_100009873359 [0,2,0,0,0,0|2,0,0]=4 11449 B17R2.262 OCc1ccncc1SCc2ccccc2 62a_100009873359_100015291786 [0,2,0,0,0,0|2,0,0]=4 11450 B17R2.262 OCc1ccncc1SCc2cccnc2 62a_100000741622_100009873359 [0,2,0,0,0,0|2,0,0]=4 11451 B17R2.262 OCc1ccncc1SCc2cccnc2 62a_100009873359_100000741622 [0,2,0,0,0,0|2,0,0]=4 11452 B17R2.262 OCc1cnccc1NCc2ccccc2 27a_100015324214_100000117392 [0,2,0,0,0,0|2,0,0]=4 11453 B17R2.262 OCc1cnccc1NCc2cccnc2 27a_100000210453_100000117392 [0,2,0,0,0,0|1,0,0]=3 11454 B17R2.262 OCc1cnccc1NCc2cccnn2 27a_100159270163_100000117392 [0,2,0,0,0,0|2,0,0]=4 11455 B17R2.262 OCc1cnccc1NCc2cnccn2 27a_100000737960_100000117392 [0,2,0,0,0,0|2,0,0]=4 11456 B17R2.262 OCc1cnccc1NCc2cncnc2 27a_100011243677_100000117392 [0,2,0,0,0,0|2,0,0]=4 11457 B17R2.262 OCc1cnccc1SCc2cccnc2 62a_100000117392_100000741622 [0,2,0,0,0,0|2,0,0]=4 11458 B17R2.262 OCc1cnccc1SCc2cccnc2 62a_100000741622_100000117392 [0,2,0,0,0,0|2,0,0]=4 11459 B17R2.262 OCc1ncccc1C#Cc2ccccc2 271570a_100000069678_100011996772 [0,2,0,0,0,0|1,0,1]=4 11460 B17R2.262 OCc1ncccc1C=Cc2ccccc2 271570a_100102527694_100011996772 [0,2,0,0,0,0|1,0,1]=4 11461 B17R2.262 OCc1ncccc1OCc2ccccc2 34a_100000731849_100015291786 [0,2,0,0,0,0|2,0,0]=4 11462 B17R2.262 OCc1ncccc1OCc2cccnc2 34a_100000731849_100000733263 [0,2,0,0,0,0|2,0,0]=4 11463 B17R2.262 OCc1ncccc1SCc2ccccc2 62a_100000211182_100011996772 [0,2,0,0,0,0|2,0,0]=4 11464 B17R2.262 OCc1ncccc1SCc2ccccc2 62a_100011996772_100015291786 [0,2,0,0,0,0|2,0,0]=4 11465 B17R2.262 OCc1ncccc1SCc2cccnc2 62a_100000741622_100011996772 [0,2,0,0,0,0|2,0,0]=4 11466 B17R2.262 OCc1ncccc1SCc2cccnc2 62a_100011996772_100000741622 [0,2,0,0,0,0|2,0,0]=4 11467 B17R2.262 [13CH3]Nc1ccccc1COc2ccccc2 2230a_100000742786_200025704644 [0,2,0,0,0,0|2,0,0]=4 11468 B17R2.262 [13CH3]Nc1ccccc1COc2ccccc2 34a_100000742786_200025704644 [0,2,0,0,0,0|2,0,0]=4 11469 B17R2.262 [13CH3]Nc1ccccc1COc2ccccc2 7a_100000742786_200025704644 [0,2,0,0,0,0|2,0,0]=4 11470 B17R2.262 [13CH3]Nc1ccccc1OCc2ccccc2 34a_100011193923_200025704644 [0,2,0,0,0,0|2,0,0]=4 11471 B17R2.262 [13CH3]Nc1ccccc1SCc2ccccc2 34a_100000198535_200025704644 [0,2,0,0,0,0|2,0,0]=4 11472 B17R2.262 [13CH3]Nc1ccccc1SCc2ccccc2 7a_100000198535_200025704644 [0,2,0,0,0,0|2,0,0]=4 11473 B17R2.262 [13CH3]Oc1ccccc1CNc2cccnc2 34a_200000712809_200025704644 [0,2,0,0,0,0|2,0,0]=4 11474 B17R2.262 [13CH3]Oc1ccccc1OCc2ccccc2 34a_100000187230_200025704644 [0,2,0,0,0,0|2,0,0]=4 11475 B17R2.262 [13CH3]Oc1ccccc1OCc2ccccc2 7a_100000187230_200025704644 [0,2,0,0,0,0|2,0,0]=4 11476 B17R2.262 [13CH3]Sc1ccccc1OCc2ccccc2 62a_100000151716_200025704644 [0,2,0,0,0,0|2,0,0]=4 11477 B17R2.262 [13CH3]Sc1ccccc1OCc2ccccc2 62a_200025704644_100000151716 [0,2,0,0,0,0|2,0,0]=4 11478 B17R2.262 [13CH3]Sc1ncccc1OCc2ccccc2 62a_100011501402_200025704644 [0,2,0,0,0,0|2,0,0]=4 11479 B17R2.262 [13CH3]Sc1ncccc1OCc2ccccc2 62a_200025704644_100011501402 [0,2,0,0,0,0|2,0,0]=4 11480 B17R2.496 Brc1ccc(cc1)C=Cc2cccnc2Br 271570a_100102527914_100010202626 [0,2,0,0,0,0|1,0,1]=4 11481 B17R2.496 Brc1ccc(cc1)C=Cc2cnccc2Br 271570a_100102527914_100010138639 [0,2,0,0,0,0|1,0,1]=4 11482 B17R2.496 Brc1ccc(cc1)CNc2ccccc2Br 207a_100000210017_100000186029 [0,2,0,0,0,0|1,0,0]=3 11483 B17R2.496 Brc1ccc(cc1)CNc2ccccc2Br 34a_100000210017_100000189115 [0,2,0,0,0,0|1,0,0]=3 11484 B17R2.496 Brc1ccc(cc1)CNc2ccccc2I 207a_100000210053_100000186029 [0,2,0,0,0,0|1,0,0]=3 11485 B17R2.496 Brc1ccc(cc1)CNc2ccccc2I 34a_100000210053_100000189115 [0,2,0,0,0,0|1,0,0]=3 11486 B17R2.496 Brc1ccc(cc1)CNc2ccncc2Br 27a_100000174875_100000726257 [0,2,0,0,0,0|2,0,0]=4 11487 B17R2.496 Brc1ccc(cc1)CNc2ncccc2Br 27a_100000174875_100000696092 [0,2,0,0,0,0|2,0,0]=4 11488 B17R2.496 Brc1ccc(cc1)COc2ccccc2Br 34a_100000181306_100000189115 [0,2,0,0,0,0|2,0,0]=4 11489 B17R2.496 Brc1ccc(cc1)COc2ccccc2Br 7a_100000181306_100011217064 [0,2,0,0,0,0|2,0,0]=4 11490 B17R2.496 Brc1ccc(cc1)COc2ccccc2I 34a_100000739446_100000189115 [0,2,0,0,0,0|2,0,0]=4 11491 B17R2.496 Brc1ccc(cc1)COc2ccccc2I 7a_100000739446_100011217064 [0,2,0,0,0,0|2,0,0]=4 11492 B17R2.496 Brc1ccc(cc1)COc2cccnc2Br 34a_100000744436_100000189115 [0,2,0,0,0,0|2,0,0]=4 11493 B17R2.496 Brc1ccc(cc1)COc2cccnc2Br 7a_100000744436_100011217064 [0,2,0,0,0,0|2,0,0]=4 11494 B17R2.496 Brc1ccc(cc1)COc2cccnc2I 34a_100000034122_100000189115 [0,2,0,0,0,0|2,0,0]=4 11495 B17R2.496 Brc1ccc(cc1)COc2cccnc2I 7a_100000034122_100011217064 [0,2,0,0,0,0|2,0,0]=4 11496 B17R2.496 Brc1ccc(cc1)COc2cnccc2I 34a_100000050107_100000189115 [0,2,0,0,0,0|2,0,0]=4 11497 B17R2.496 Brc1ccc(cc1)CSc2ccccc2Br 62a_100000189115_100000695589 [0,2,0,0,0,0|2,0,0]=4 11498 B17R2.496 Brc1ccc(cc1)CSc2ccccc2Br 62a_100000695589_100000189115 [0,2,0,0,0,0|2,0,0]=4 11499 B17R2.496 Brc1ccc(cc1)CSc2cccnc2Br 62a_100000189115_100010202626 [0,2,0,0,0,0|2,0,0]=4 11500 B17R2.496 Brc1ccc(cc1)CSc2cccnc2Br 62a_100010202626_100000189115 [0,2,0,0,0,0|2,0,0]=4 11501 B17R2.496 Brc1ccc(cc1)CSc2cnccc2Br 62a_100000189115_100010138639 [0,2,0,0,0,0|2,0,0]=4 11502 B17R2.496 Brc1ccc(cc1)CSc2cnccc2Br 62a_100010138639_100000189115 [0,2,0,0,0,0|2,0,0]=4 11503 B17R2.496 Brc1ccc(cc1)NCc2ccccc2Br 207a_100000210018_100000211189 [0,2,0,0,0,0|1,0,0]=3 11504 B17R2.496 Brc1ccc(cc1)NCc2ccccc2Br 2230a_100000210018_100000184730 [0,2,0,0,0,0|1,0,0]=3 11505 B17R2.496 Brc1ccc(cc1)NCc2ccccc2Br 270302a_100000210018_100000211189 [0,2,0,0,0,0|1,0,0]=3 11506 B17R2.496 Brc1ccc(cc1)NCc2ccccc2Br 34a_100000210018_100000184730 [0,2,0,0,0,0|1,0,0]=3 11507 B17R2.496 Brc1ccc(cc1)NCc2ccccc2I 207a_100000210018_100000010305 [0,2,0,0,0,0|1,0,0]=3 11508 B17R2.496 Brc1ccc(cc1)NCc2ccccc2I 2230a_100000210018_100011215278 [0,2,0,0,0,0|1,0,0]=3 11509 B17R2.496 Brc1ccc(cc1)NCc2ccccc2I 34a_100000210018_100011215278 [0,2,0,0,0,0|1,0,0]=3 11510 B17R2.496 Brc1ccc(cc1)NCc2cccnc2Br 2230a_100000210018_100010140945 [0,2,0,0,0,0|0,0,0]=2 11511 B17R2.496 Brc1ccc(cc1)NCc2cccnc2Br 34a_100000210018_100010140945 [0,2,0,0,0,0|0,0,0]=2 11512 B17R2.496 Brc1ccc(cc1)NCc2ncccc2Br 207a_100000210018_100011934733 [0,2,0,0,0,0|2,0,0]=4 11513 B17R2.496 Brc1ccc(cc1)NCc2ncccc2Br 2230a_100000210018_100025702911 [0,2,0,0,0,0|2,0,0]=4 11514 B17R2.496 Brc1ccc(cc1)NCc2ncccc2Br 34a_100000210018_100025702911 [0,2,0,0,0,0|2,0,0]=4 11515 B17R2.496 Brc1ccc(cc1)OCc2ccccc2Br 34a_100000185759_100000184730 [0,2,0,0,0,0|2,0,0]=4 11516 B17R2.496 Brc1ccc(cc1)OCc2ccccc2Br 7a_100000185759_100000184730 [0,2,0,0,0,0|2,0,0]=4 11517 B17R2.496 Brc1ccc(cc1)OCc2ccccc2I 34a_100000185759_100011215278 [0,2,0,0,0,0|2,0,0]=4 11518 B17R2.496 Brc1ccc(cc1)OCc2ccccc2I 7a_100000185759_100011215278 [0,2,0,0,0,0|2,0,0]=4 11519 B17R2.496 Brc1ccc(cc1)OCc2cccnc2Br 34a_100000185759_100010140945 [0,2,0,0,0,0|1,0,0]=3 11520 B17R2.496 Brc1ccc(cc1)OCc2cccnc2Br 7a_100000185759_100010140945 [0,2,0,0,0,0|1,0,0]=3 11521 B17R2.496 Brc1ccc(cc1)SCc2ccccc2Br 62a_100000184730_100000752885 [0,2,0,0,0,0|2,0,0]=4 11522 B17R2.496 Brc1ccc(cc1)SCc2ccccc2Br 62a_100000752885_100000184730 [0,2,0,0,0,0|2,0,0]=4 11523 B17R2.496 Brc1ccc(cc1)SCc2ccccc2I 62a_100000752885_100011216222 [0,2,0,0,0,0|2,0,0]=4 11524 B17R2.496 Brc1ccc(cc1)SCc2ccccc2I 62a_100011216222_100000752885 [0,2,0,0,0,0|2,0,0]=4 11525 B17R2.496 Brc1ccc(cc1)SCc2cccnc2Br 62a_100000752885_100010140945 [0,2,0,0,0,0|1,0,0]=3 11526 B17R2.496 Brc1ccc(cc1)SCc2cccnc2Br 62a_100010140945_100000752885 [0,2,0,0,0,0|1,0,0]=3 11527 B17R2.496 Brc1ccc(cn1)CNc2ccccc2Br 34a_100000210017_100009831999 [0,2,0,0,0,0|0,0,0]=2 11528 B17R2.496 Brc1ccc(cn1)CNc2ccccc2I 34a_100000210053_100009831999 [0,2,0,0,0,0|0,0,0]=2 11529 B17R2.496 Brc1ccc(cn1)CNc2ccncc2Br 27a_100009817727_100000726257 [0,2,0,0,0,0|1,0,0]=3 11530 B17R2.496 Brc1ccc(cn1)CNc2ncccc2Br 27a_100009817727_100000696092 [0,2,0,0,0,0|1,0,0]=3 11531 B17R2.496 Brc1ccc(cn1)COc2ccccc2Br 34a_100000181306_100009831999 [0,2,0,0,0,0|1,0,0]=3 11532 B17R2.496 Brc1ccc(cn1)COc2ccccc2Br 7a_100000181306_100009831999 [0,2,0,0,0,0|1,0,0]=3 11533 B17R2.496 Brc1ccc(cn1)COc2ccccc2I 34a_100000739446_100009831999 [0,2,0,0,0,0|1,0,0]=3 11534 B17R2.496 Brc1ccc(cn1)COc2ccccc2I 7a_100000739446_100009831999 [0,2,0,0,0,0|1,0,0]=3 11535 B17R2.496 Brc1ccc(cn1)COc2cccnc2Br 34a_100000744436_100009831999 [0,2,0,0,0,0|2,0,0]=4 11536 B17R2.496 Brc1ccc(cn1)COc2cccnc2Br 7a_100000744436_100009831999 [0,2,0,0,0,0|2,0,0]=4 11537 B17R2.496 Brc1ccc(cn1)COc2cccnc2I 34a_100000034122_100009831999 [0,2,0,0,0,0|2,0,0]=4 11538 B17R2.496 Brc1ccc(cn1)COc2cccnc2I 7a_100000034122_100009831999 [0,2,0,0,0,0|2,0,0]=4 11539 B17R2.496 Brc1ccc(cn1)COc2ccncc2Br 34a_100011996408_100009831999 [0,2,0,0,0,0|2,0,0]=4 11540 B17R2.496 Brc1ccc(cn1)COc2cnccc2I 34a_100000050107_100009831999 [0,2,0,0,0,0|2,0,0]=4 11541 B17R2.496 Brc1ccc(cn1)CSc2ccccc2Br 62a_100000695589_100009831999 [0,2,0,0,0,0|1,0,0]=3 11542 B17R2.496 Brc1ccc(cn1)CSc2ccccc2Br 62a_100009831999_100000695589 [0,2,0,0,0,0|1,0,0]=3 11543 B17R2.496 Brc1ccc(cn1)CSc2cccnc2Br 62a_100009831999_100010202626 [0,2,0,0,0,0|2,0,0]=4 11544 B17R2.496 Brc1ccc(cn1)CSc2cccnc2Br 62a_100010202626_100009831999 [0,2,0,0,0,0|2,0,0]=4 11545 B17R2.496 Brc1ccc(cn1)CSc2ccncc2Br 62a_100000726257_100009831999 [0,2,0,0,0,0|2,0,0]=4 11546 B17R2.496 Brc1ccc(cn1)CSc2ccncc2Br 62a_100009831999_100000726257 [0,2,0,0,0,0|2,0,0]=4 11547 B17R2.496 Brc1ccc(cn1)CSc2cnccc2Br 62a_100009831999_100010138639 [0,2,0,0,0,0|2,0,0]=4 11548 B17R2.496 Brc1ccc(cn1)CSc2cnccc2Br 62a_100010138639_100009831999 [0,2,0,0,0,0|2,0,0]=4 11549 B17R2.496 Brc1ccc(cn1)CSc2ncccc2Br 62a_100000696092_100009831999 [0,2,0,0,0,0|2,0,0]=4 11550 B17R2.496 Brc1ccc(cn1)CSc2ncccc2Br 62a_100009831999_100000696092 [0,2,0,0,0,0|2,0,0]=4 11551 B17R2.496 Brc1ccc(cn1)OCc2ccccc2Br 34a_100000685995_100000184730 [0,2,0,0,0,0|2,0,0]=4 11552 B17R2.496 Brc1ccc(cn1)OCc2ccccc2Br 7a_100000685995_100000184730 [0,2,0,0,0,0|2,0,0]=4 11553 B17R2.496 Brc1ccc(cn1)OCc2ccccc2I 34a_100000685995_100011215278 [0,2,0,0,0,0|2,0,0]=4 11554 B17R2.496 Brc1ccc(cn1)OCc2ccccc2I 7a_100000685995_100011215278 [0,2,0,0,0,0|2,0,0]=4 11555 B17R2.496 Brc1ccc(cn1)OCc2cccnc2Br 34a_100000685995_100010140945 [0,2,0,0,0,0|2,0,0]=4 11556 B17R2.496 Brc1ccc(cn1)OCc2cccnc2Br 7a_100000685995_100010140945 [0,2,0,0,0,0|2,0,0]=4 11557 B17R2.496 Brc1ccc(cn1)SCc2ccccc2Br 62a_100000184730_100009814638 [0,2,0,0,0,0|2,0,0]=4 11558 B17R2.496 Brc1ccc(cn1)SCc2ccccc2Br 62a_100009814638_100000184730 [0,2,0,0,0,0|2,0,0]=4 11559 B17R2.496 Brc1ccc(cn1)SCc2ccccc2I 62a_100009814638_100011216222 [0,2,0,0,0,0|2,0,0]=4 11560 B17R2.496 Brc1ccc(cn1)SCc2ccccc2I 62a_100011216222_100009814638 [0,2,0,0,0,0|2,0,0]=4 11561 B17R2.496 Brc1ccc(cn1)SCc2cccnc2Br 62a_100009814638_100010140945 [0,2,0,0,0,0|2,0,0]=4 11562 B17R2.496 Brc1ccc(cn1)SCc2cccnc2Br 62a_100010140945_100009814638 [0,2,0,0,0,0|2,0,0]=4 11563 B17R2.496 Brc1ccc(nc1)CNc2ccccc2Br 207a_100000210017_100000754260 [0,2,0,0,0,0|2,0,0]=4 11564 B17R2.496 Brc1ccc(nc1)CNc2ccccc2Br 34a_100000210017_100000702658 [0,2,0,0,0,0|2,0,0]=4 11565 B17R2.496 Brc1ccc(nc1)CNc2ccccc2I 207a_100000210053_100000754260 [0,2,0,0,0,0|2,0,0]=4 11566 B17R2.496 Brc1ccc(nc1)CNc2ccccc2I 34a_100000210053_100000702658 [0,2,0,0,0,0|2,0,0]=4 11567 B17R2.496 Brc1ccc(nc1)NCc2ccccc2Br 27a_100000689332_100000686858 [0,2,0,0,0,0|2,0,0]=4 11568 B17R2.496 Brc1ccc(nc1)NCc2ccccc2I 27a_100015347259_100000686858 [0,2,0,0,0,0|2,0,0]=4 11569 B17R2.496 Brc1ccc(nc1)NCc2cccnc2Br 27a_100009818023_100000686858 [0,2,0,0,0,0|1,0,0]=3 11570 B17R2.496 Brc1ccc(nc1)SCc2cccnc2Br 62a_100000686858_100010140945 [0,2,0,0,0,0|2,0,0]=4 11571 B17R2.496 Brc1ccc(nc1)SCc2cccnc2Br 62a_100010140945_100000686858 [0,2,0,0,0,0|2,0,0]=4 11572 B17R2.496 Brc1ccccc1CNc2ccc(cc2)I 207a_100000185761_100000211189 [0,2,0,0,0,0|1,0,0]=3 11573 B17R2.496 Brc1ccccc1CNc2ccc(cc2)I 270302a_100000185761_100000211189 [0,2,0,0,0,0|1,0,0]=3 11574 B17R2.496 Brc1ccccc1CNc2ccc(cc2)I 34a_100000185761_100000184730 [0,2,0,0,0,0|1,0,0]=3 11575 B17R2.496 Brc1ccccc1COc2ccc(cc2)I 34a_100000212066_100000184730 [0,2,0,0,0,0|2,0,0]=4 11576 B17R2.496 Brc1ccccc1COc2ccc(cc2)I 7a_100000212066_100000184730 [0,2,0,0,0,0|2,0,0]=4 11577 B17R2.496 Brc1ccccc1COc2ccc(nc2)I 34a_100000687607_100000184730 [0,2,0,0,0,0|2,0,0]=4 11578 B17R2.496 Brc1ccccc1COc2ccc(nc2)I 7a_100000687607_100000184730 [0,2,0,0,0,0|2,0,0]=4 11579 B17R2.496 Brc1ccccc1NCc2ccc(cc2)I 207a_100000210017_100000188517 [0,2,0,0,0,0|1,0,0]=3 11580 B17R2.496 Brc1ccccc1NCc2ccc(cc2)I 34a_100000210017_100000189116 [0,2,0,0,0,0|1,0,0]=3 11581 B17R2.496 Brc1ccccc1OCc2ccc(cc2)I 34a_100000181306_100000189116 [0,2,0,0,0,0|2,0,0]=4 11582 B17R2.496 Brc1ccccc1OCc2ccc(cc2)I 7a_100000181306_100000189116 [0,2,0,0,0,0|2,0,0]=4 11583 B17R2.496 Brc1ccccc1SCc2ccc(cc2)I 62a_100000189116_100000695589 [0,2,0,0,0,0|2,0,0]=4 11584 B17R2.496 Brc1ccccc1SCc2ccc(cc2)I 62a_100000695589_100000189116 [0,2,0,0,0,0|2,0,0]=4 11585 B17R2.496 Brc1cccnc1CNc2ccc(cc2)I 207a_100000185761_100011934733 [0,2,0,0,0,0|2,0,0]=4 11586 B17R2.496 Brc1cccnc1CNc2ccc(cc2)I 34a_100000185761_100025702911 [0,2,0,0,0,0|2,0,0]=4 11587 B17R2.496 Brc1cccnc1NCc2ccc(cc2)I 27a_100016989417_100000696092 [0,2,0,0,0,0|2,0,0]=4 11588 B17R2.496 Brc1ccncc1SCc2ccc(cc2)I 62a_100000189116_100010138639 [0,2,0,0,0,0|2,0,0]=4 11589 B17R2.496 Brc1ccncc1SCc2ccc(cc2)I 62a_100010138639_100000189116 [0,2,0,0,0,0|2,0,0]=4 11590 B17R2.496 Brc1cnc(cn1)NCc2cccnc2Br 27a_100009818023_100010187541 [0,2,0,0,0,0|2,0,0]=4 11591 B17R2.496 Brc1cnc(nc1)NCc2cccnc2Br 27a_100009818023_100000690281 [0,2,0,0,0,0|2,0,0]=4 11592 B17R2.496 Brc1cnccc1NCc2ccc(cc2)I 27a_100016989417_100000726257 [0,2,0,0,0,0|2,0,0]=4 11593 B17R2.496 Brc1ncccc1CNc2ccc(cc2)I 34a_100000185761_100010140945 [0,2,0,0,0,0|0,0,0]=2 11594 B17R2.496 Brc1ncccc1COc2ccc(cc2)I 34a_100000212066_100010140945 [0,2,0,0,0,0|1,0,0]=3 11595 B17R2.496 Brc1ncccc1COc2ccc(cc2)I 7a_100000212066_100010140945 [0,2,0,0,0,0|1,0,0]=3 11596 B17R2.496 Brc1ncccc1COc2ccc(nc2)I 34a_100000687607_100010140945 [0,2,0,0,0,0|2,0,0]=4 11597 B17R2.496 Brc1ncccc1COc2ccc(nc2)I 7a_100000687607_100010140945 [0,2,0,0,0,0|2,0,0]=4 11598 B17R2.496 Brc1ncccc1OCc2ccc(cc2)I 34a_100000744436_100000189116 [0,2,0,0,0,0|2,0,0]=4 11599 B17R2.496 Brc1ncccc1OCc2ccc(cc2)I 7a_100000744436_100000189116 [0,2,0,0,0,0|2,0,0]=4 11600 B17R2.496 Brc1ncccc1SCc2ccc(cc2)I 62a_100000189116_100010202626 [0,2,0,0,0,0|2,0,0]=4 11601 B17R2.496 Brc1ncccc1SCc2ccc(cc2)I 62a_100010202626_100000189116 [0,2,0,0,0,0|2,0,0]=4 11602 B17R2.496 C[n+]1ccccc1SCc2ccc(nc2)Br 62a_100009831999_100000212160 [0,2,0,0,0,0|2,0,0]=4 11603 B17R2.496 C[n+]1ccccc1SCc2ccc(nc2)Cl 62a_100000735431_100000212160 [0,2,0,0,0,0|2,0,0]=4 11604 B17R2.496 C[n+]1ccccc1SCc2ccc(nc2)F 62a_100009820150_100000212160 [0,2,0,0,0,0|2,0,0]=4 11605 B17R2.496 Cc1ccc(cc1)C=Cc2cccnc2Br 271570a_100102527916_100010202626 [0,2,0,0,0,0|1,0,1]=4 11606 B17R2.496 Cc1ccc(cc1)C=Cc2cccnc2C 271570a_100102527916_100000751574 [0,2,0,0,0,0|1,0,1]=4 11607 B17R2.496 Cc1ccc(cc1)C=Cc2cccnc2Cl 271570a_100102527916_100000036424 [0,2,0,0,0,0|1,0,1]=4 11608 B17R2.496 Cc1ccc(cc1)C=Cc2cccnc2F 271570a_100102527916_100009816115 [0,2,0,0,0,0|1,0,1]=4 11609 B17R2.496 Cc1ccc(cc1)C=Cc2cccnc2N 271570a_100102527916_100000045569 [0,2,0,0,0,0|1,0,1]=4 11610 B17R2.496 Cc1ccc(cc1)C=Cc2cnccc2Br 271570a_100102527916_100010138639 [0,2,0,0,0,0|1,0,1]=4 11611 B17R2.496 Cc1ccc(cc1)C=Cc2cnccc2C 271570a_100102527916_100000761580 [0,2,0,0,0,0|1,0,1]=4 11612 B17R2.496 Cc1ccc(cc1)C=Cc2cnccc2Cl 271570a_100102527916_100009995489 [0,2,0,0,0,0|1,0,1]=4 11613 B17R2.496 Cc1ccc(cc1)C=Cc2cnccc2F 271570a_100102527916_100009820683 [0,2,0,0,0,0|1,0,1]=4 11614 B17R2.496 Cc1ccc(cc1)C=Cc2cnccc2N 271570a_100102527916_100000047001 [0,2,0,0,0,0|1,0,1]=4 11615 B17R2.496 Cc1ccc(cc1)CNc2ccccc2Br 207a_100000210017_100000211033 [0,2,0,0,0,0|1,0,0]=3 11616 B17R2.496 Cc1ccc(cc1)CNc2ccccc2Br 34a_100000210017_100000210814 [0,2,0,0,0,0|1,0,0]=3 11617 B17R2.496 Cc1ccc(cc1)CNc2ccccc2C 207a_100015192222_100000211033 [0,2,0,0,0,0|1,0,0]=3 11618 B17R2.496 Cc1ccc(cc1)CNc2ccccc2C 270302a_100015192222_100000211033 [0,2,0,0,0,0|1,0,0]=3 11619 B17R2.496 Cc1ccc(cc1)CNc2ccccc2C 34a_100015192222_100000210814 [0,2,0,0,0,0|1,0,0]=3 11620 B17R2.496 Cc1ccc(cc1)CNc2ccccc2Cl 207a_100000185783_100000211033 [0,2,0,0,0,0|1,0,0]=3 11621 B17R2.496 Cc1ccc(cc1)CNc2ccccc2Cl 34a_100000185783_100000210814 [0,2,0,0,0,0|1,0,0]=3 11622 B17R2.496 Cc1ccc(cc1)CNc2ccccc2F 207a_100000210422_100000211033 [0,2,0,0,0,0|1,0,0]=3 11623 B17R2.496 Cc1ccc(cc1)CNc2ccccc2F 34a_100000210422_100000210814 [0,2,0,0,0,0|1,0,0]=3 11624 B17R2.496 Cc1ccc(cc1)CNc2ccccc2I 207a_100000210053_100000211033 [0,2,0,0,0,0|1,0,0]=3 11625 B17R2.496 Cc1ccc(cc1)CNc2ccccc2I 34a_100000210053_100000210814 [0,2,0,0,0,0|1,0,0]=3 11626 B17R2.496 Cc1ccc(cc1)CNc2ccccc2O 34a_100000185747_100000210814 [0,2,0,0,0,0|1,0,0]=3 11627 B17R2.496 Cc1ccc(cc1)CNc2ccncc2Br 27a_100000174908_100000726257 [0,2,0,0,0,0|2,0,0]=4 11628 B17R2.496 Cc1ccc(cc1)CNc2ccncc2C 27a_100000174908_100000765111 [0,2,0,0,0,0|2,0,0]=4 11629 B17R2.496 Cc1ccc(cc1)CNc2ccncc2F 27a_100000174908_100000035921 [0,2,0,0,0,0|2,0,0]=4 11630 B17R2.496 Cc1ccc(cc1)CNc2ncccc2Br 27a_100000174908_100000696092 [0,2,0,0,0,0|2,0,0]=4 11631 B17R2.496 Cc1ccc(cc1)COc2ccccc2Br 34a_100000181306_100000210814 [0,2,0,0,0,0|2,0,0]=4 11632 B17R2.496 Cc1ccc(cc1)COc2ccccc2Br 7a_100000181306_100000210814 [0,2,0,0,0,0|2,0,0]=4 11633 B17R2.496 Cc1ccc(cc1)COc2ccccc2C 34a_100000210338_100000210814 [0,2,0,0,0,0|2,0,0]=4 11634 B17R2.496 Cc1ccc(cc1)COc2ccccc2C 7a_100000210338_100000210814 [0,2,0,0,0,0|2,0,0]=4 11635 B17R2.496 Cc1ccc(cc1)COc2ccccc2Cl 34a_100000210172_100000210814 [0,2,0,0,0,0|2,0,0]=4 11636 B17R2.496 Cc1ccc(cc1)COc2ccccc2Cl 7a_100000210172_100000210814 [0,2,0,0,0,0|2,0,0]=4 11637 B17R2.496 Cc1ccc(cc1)COc2ccccc2F 34a_100000210171_100000210814 [0,2,0,0,0,0|2,0,0]=4 11638 B17R2.496 Cc1ccc(cc1)COc2ccccc2F 7a_100000210171_100000210814 [0,2,0,0,0,0|2,0,0]=4 11639 B17R2.496 Cc1ccc(cc1)COc2ccccc2I 34a_100000739446_100000210814 [0,2,0,0,0,0|2,0,0]=4 11640 B17R2.496 Cc1ccc(cc1)COc2ccccc2I 7a_100000739446_100000210814 [0,2,0,0,0,0|2,0,0]=4 11641 B17R2.496 Cc1ccc(cc1)COc2ccccc2N 34a_100000185747_100000210814 [0,2,0,0,0,0|2,0,0]=4 11642 B17R2.496 Cc1ccc(cc1)COc2ccccc2N 7a_100000185747_100000210814 [0,2,0,0,0,0|2,0,0]=4 11643 B17R2.496 Cc1ccc(cc1)COc2cccnc2Br 34a_100000744436_100000210814 [0,2,0,0,0,0|2,0,0]=4 11644 B17R2.496 Cc1ccc(cc1)COc2cccnc2Br 7a_100000744436_100000210814 [0,2,0,0,0,0|2,0,0]=4 11645 B17R2.496 Cc1ccc(cc1)COc2cccnc2C 34a_100000745507_100000210814 [0,2,0,0,0,0|2,0,0]=4 11646 B17R2.496 Cc1ccc(cc1)COc2cccnc2C 7a_100000745507_100000210814 [0,2,0,0,0,0|2,0,0]=4 11647 B17R2.496 Cc1ccc(cc1)COc2cccnc2Cl 34a_100000757616_100000210814 [0,2,0,0,0,0|2,0,0]=4 11648 B17R2.496 Cc1ccc(cc1)COc2cccnc2Cl 7a_100000757616_100000210814 [0,2,0,0,0,0|2,0,0]=4 11649 B17R2.496 Cc1ccc(cc1)COc2cccnc2F 34a_100000061740_100000210814 [0,2,0,0,0,0|2,0,0]=4 11650 B17R2.496 Cc1ccc(cc1)COc2cccnc2F 7a_100000061740_100000210814 [0,2,0,0,0,0|2,0,0]=4 11651 B17R2.496 Cc1ccc(cc1)COc2cccnc2I 34a_100000034122_100000210814 [0,2,0,0,0,0|2,0,0]=4 11652 B17R2.496 Cc1ccc(cc1)COc2cccnc2I 7a_100000034122_100000210814 [0,2,0,0,0,0|2,0,0]=4 11653 B17R2.496 Cc1ccc(cc1)COc2cccnc2N 34a_100000211975_100000210814 [0,2,0,0,0,0|2,0,0]=4 11654 B17R2.496 Cc1ccc(cc1)COc2cccnc2N 7a_100000211975_100000210814 [0,2,0,0,0,0|2,0,0]=4 11655 B17R2.496 Cc1ccc(cc1)COc2cnccc2C 34a_100011997053_100000210814 [0,2,0,0,0,0|2,0,0]=4 11656 B17R2.496 Cc1ccc(cc1)COc2cnccc2C 7a_100011997053_100000210814 [0,2,0,0,0,0|2,0,0]=4 11657 B17R2.496 Cc1ccc(cc1)COc2cnccc2Cl 34a_100011996695_100000210814 [0,2,0,0,0,0|2,0,0]=4 11658 B17R2.496 Cc1ccc(cc1)COc2cnccc2I 34a_100000050107_100000210814 [0,2,0,0,0,0|2,0,0]=4 11659 B17R2.496 Cc1ccc(cc1)COc2cnccc2N 34a_100000753702_100000210814 [0,2,0,0,0,0|2,0,0]=4 11660 B17R2.496 Cc1ccc(cc1)CSc2ccccc2Br 62a_100000210814_100000695589 [0,2,0,0,0,0|2,0,0]=4 11661 B17R2.496 Cc1ccc(cc1)CSc2ccccc2Br 62a_100000695589_100000210814 [0,2,0,0,0,0|2,0,0]=4 11662 B17R2.496 Cc1ccc(cc1)CSc2ccccc2C 62a_100000210755_100000210814 [0,2,0,0,0,0|2,0,0]=4 11663 B17R2.496 Cc1ccc(cc1)CSc2ccccc2C 62a_100000210814_100000210755 [0,2,0,0,0,0|2,0,0]=4 11664 B17R2.496 Cc1ccc(cc1)CSc2ccccc2Cl 62a_100000210814_100000764095 [0,2,0,0,0,0|2,0,0]=4 11665 B17R2.496 Cc1ccc(cc1)CSc2ccccc2Cl 62a_100000764095_100000210814 [0,2,0,0,0,0|2,0,0]=4 11666 B17R2.496 Cc1ccc(cc1)CSc2ccccc2F 62a_100000210814_100011215700 [0,2,0,0,0,0|2,0,0]=4 11667 B17R2.496 Cc1ccc(cc1)CSc2ccccc2F 62a_100011215700_100000210814 [0,2,0,0,0,0|2,0,0]=4 11668 B17R2.496 Cc1ccc(cc1)CSc2ccccc2N 62a_100000210017_100000210814 [0,2,0,0,0,0|2,0,0]=4 11669 B17R2.496 Cc1ccc(cc1)CSc2ccccc2N 62a_100000210814_100000210017 [0,2,0,0,0,0|2,0,0]=4 11670 B17R2.496 Cc1ccc(cc1)CSc2ccccc2O 62a_100000210814_100000739446 [0,2,0,0,0,0|2,0,0]=4 11671 B17R2.496 Cc1ccc(cc1)CSc2ccccc2O 62a_100000739446_100000210814 [0,2,0,0,0,0|2,0,0]=4 11672 B17R2.496 Cc1ccc(cc1)CSc2cccnc2Br 62a_100000210814_100010202626 [0,2,0,0,0,0|2,0,0]=4 11673 B17R2.496 Cc1ccc(cc1)CSc2cccnc2Br 62a_100010202626_100000210814 [0,2,0,0,0,0|2,0,0]=4 11674 B17R2.496 Cc1ccc(cc1)CSc2cccnc2C 62a_100000210814_100000751574 [0,2,0,0,0,0|2,0,0]=4 11675 B17R2.496 Cc1ccc(cc1)CSc2cccnc2C 62a_100000751574_100000210814 [0,2,0,0,0,0|2,0,0]=4 11676 B17R2.496 Cc1ccc(cc1)CSc2cccnc2Cl 62a_100000036424_100000210814 [0,2,0,0,0,0|2,0,0]=4 11677 B17R2.496 Cc1ccc(cc1)CSc2cccnc2Cl 62a_100000210814_100000036424 [0,2,0,0,0,0|2,0,0]=4 11678 B17R2.496 Cc1ccc(cc1)CSc2cccnc2F 62a_100000210814_100009816115 [0,2,0,0,0,0|2,0,0]=4 11679 B17R2.496 Cc1ccc(cc1)CSc2cccnc2F 62a_100009816115_100000210814 [0,2,0,0,0,0|2,0,0]=4 11680 B17R2.496 Cc1ccc(cc1)CSc2cccnc2N 62a_100000045569_100000210814 [0,2,0,0,0,0|2,0,0]=4 11681 B17R2.496 Cc1ccc(cc1)CSc2cccnc2N 62a_100000210814_100000045569 [0,2,0,0,0,0|2,0,0]=4 11682 B17R2.496 Cc1ccc(cc1)CSc2cccnc2O 62a_100000210814_100000760158 [0,2,0,0,0,0|2,0,0]=4 11683 B17R2.496 Cc1ccc(cc1)CSc2cccnc2O 62a_100000760158_100000210814 [0,2,0,0,0,0|2,0,0]=4 11684 B17R2.496 Cc1ccc(cc1)CSc2cnccc2Br 62a_100000210814_100010138639 [0,2,0,0,0,0|2,0,0]=4 11685 B17R2.496 Cc1ccc(cc1)CSc2cnccc2Br 62a_100010138639_100000210814 [0,2,0,0,0,0|2,0,0]=4 11686 B17R2.496 Cc1ccc(cc1)CSc2cnccc2C 62a_100000210814_100000761580 [0,2,0,0,0,0|2,0,0]=4 11687 B17R2.496 Cc1ccc(cc1)CSc2cnccc2C 62a_100000761580_100000210814 [0,2,0,0,0,0|2,0,0]=4 11688 B17R2.496 Cc1ccc(cc1)CSc2cnccc2Cl 62a_100000210814_100009995489 [0,2,0,0,0,0|2,0,0]=4 11689 B17R2.496 Cc1ccc(cc1)CSc2cnccc2Cl 62a_100009995489_100000210814 [0,2,0,0,0,0|2,0,0]=4 11690 B17R2.496 Cc1ccc(cc1)CSc2cnccc2F 62a_100000210814_100009820683 [0,2,0,0,0,0|2,0,0]=4 11691 B17R2.496 Cc1ccc(cc1)CSc2cnccc2F 62a_100009820683_100000210814 [0,2,0,0,0,0|2,0,0]=4 11692 B17R2.496 Cc1ccc(cc1)CSc2cnccc2N 62a_100000047001_100000210814 [0,2,0,0,0,0|2,0,0]=4 11693 B17R2.496 Cc1ccc(cc1)CSc2cnccc2N 62a_100000210814_100000047001 [0,2,0,0,0,0|2,0,0]=4 11694 B17R2.496 Cc1ccc(cc1)NCc2ccccc2Br 207a_100000124888_100000211189 [0,2,0,0,0,0|1,0,0]=3 11695 B17R2.496 Cc1ccc(cc1)NCc2ccccc2Br 270302a_100000124888_100000211189 [0,2,0,0,0,0|1,0,0]=3 11696 B17R2.496 Cc1ccc(cc1)NCc2ccccc2Br 34a_100000124888_100000184730 [0,2,0,0,0,0|1,0,0]=3 11697 B17R2.496 Cc1ccc(cc1)NCc2ccccc2C 207a_100000124888_100000211143 [0,2,0,0,0,0|1,0,0]=3 11698 B17R2.496 Cc1ccc(cc1)NCc2ccccc2C 270302a_100000124888_100000211143 [0,2,0,0,0,0|1,0,0]=3 11699 B17R2.496 Cc1ccc(cc1)NCc2ccccc2C 34a_100000124888_100000211839 [0,2,0,0,0,0|1,0,0]=3 11700 B17R2.496 Cc1ccc(cc1)NCc2ccccc2Cl 207a_100000124888_100000210073 [0,2,0,0,0,0|1,0,0]=3 11701 B17R2.496 Cc1ccc(cc1)NCc2ccccc2Cl 270302a_100000124888_100000210073 [0,2,0,0,0,0|1,0,0]=3 11702 B17R2.496 Cc1ccc(cc1)NCc2ccccc2Cl 34a_100000124888_100000187162 [0,2,0,0,0,0|1,0,0]=3 11703 B17R2.496 Cc1ccc(cc1)NCc2ccccc2F 207a_100000124888_100000210811 [0,2,0,0,0,0|1,0,0]=3 11704 B17R2.496 Cc1ccc(cc1)NCc2ccccc2F 270302a_100000124888_100000210811 [0,2,0,0,0,0|1,0,0]=3 11705 B17R2.496 Cc1ccc(cc1)NCc2ccccc2F 34a_100000124888_100000211605 [0,2,0,0,0,0|1,0,0]=3 11706 B17R2.496 Cc1ccc(cc1)NCc2ccccc2I 207a_100000124888_100000010305 [0,2,0,0,0,0|1,0,0]=3 11707 B17R2.496 Cc1ccc(cc1)NCc2ccccc2I 34a_100000124888_100011215278 [0,2,0,0,0,0|1,0,0]=3 11708 B17R2.496 Cc1ccc(cc1)NCc2ccccc2O 270302a_100000124888_100000185834 [0,2,0,0,0,0|1,0,0]=3 11709 B17R2.496 Cc1ccc(cc1)NCc2cccnc2Br 34a_100000124888_100010140945 [0,2,0,0,0,0|0,0,0]=2 11710 B17R2.496 Cc1ccc(cc1)NCc2cccnc2C 207a_100000124888_100000751968 [0,2,0,0,0,0|0,0,0]=2 11711 B17R2.496 Cc1ccc(cc1)NCc2cccnc2C 34a_100000124888_100000732876 [0,2,0,0,0,0|0,0,0]=2 11712 B17R2.496 Cc1ccc(cc1)NCc2cccnc2Cl 34a_100000124888_100000045678 [0,2,0,0,0,0|0,0,0]=2 11713 B17R2.496 Cc1ccc(cc1)NCc2cccnc2F 34a_100000124888_100000099810 [0,2,0,0,0,0|0,0,0]=2 11714 B17R2.496 Cc1ccc(cc1)NCc2cccnc2O 207a_100000124888_100011998315 [0,2,0,0,0,0|0,0,0]=2 11715 B17R2.496 Cc1ccc(cc1)NCc2cccnc2O 270302a_100000124888_100011998315 [0,2,0,0,0,0|0,0,0]=2 11716 B17R2.496 Cc1ccc(cc1)NCc2ccncc2C 34a_100000124888_100020672809 [0,2,0,0,0,0|2,0,0]=4 11717 B17R2.496 Cc1ccc(cc1)NCc2ccncc2Cl 207a_100000124888_100011934409 [0,2,0,0,0,0|2,0,0]=4 11718 B17R2.496 Cc1ccc(cc1)NCc2cnccc2C 207a_100000124888_100000685662 [0,2,0,0,0,0|0,0,0]=2 11719 B17R2.496 Cc1ccc(cc1)NCc2cnccc2C 34a_100000124888_100000690890 [0,2,0,0,0,0|0,0,0]=2 11720 B17R2.496 Cc1ccc(cc1)NCc2ncccc2Br 207a_100000124888_100011934733 [0,2,0,0,0,0|2,0,0]=4 11721 B17R2.496 Cc1ccc(cc1)NCc2ncccc2Br 34a_100000124888_100025702911 [0,2,0,0,0,0|2,0,0]=4 11722 B17R2.496 Cc1ccc(cc1)NCc2ncccc2C 207a_100000124888_100000698913 [0,2,0,0,0,0|2,0,0]=4 11723 B17R2.496 Cc1ccc(cc1)NCc2ncccc2C 34a_100000124888_100000696600 [0,2,0,0,0,0|2,0,0]=4 11724 B17R2.496 Cc1ccc(cc1)NCc2ncccc2Cl 207a_100000124888_100012001307 [0,2,0,0,0,0|2,0,0]=4 11725 B17R2.496 Cc1ccc(cc1)NCc2ncccc2F 207a_100000124888_100011934734 [0,2,0,0,0,0|2,0,0]=4 11726 B17R2.496 Cc1ccc(cc1)NCc2ncccc2F 34a_100000124888_100000104219 [0,2,0,0,0,0|2,0,0]=4 11727 B17R2.496 Cc1ccc(cc1)NCc2ncccc2O 34a_100000124888_200020655725 [0,2,0,0,0,0|2,0,0]=4 11728 B17R2.496 Cc1ccc(cc1)OCc2ccccc2Br 34a_100000210336_100000184730 [0,2,0,0,0,0|2,0,0]=4 11729 B17R2.496 Cc1ccc(cc1)OCc2ccccc2Br 7a_100000210336_100000184730 [0,2,0,0,0,0|2,0,0]=4 11730 B17R2.496 Cc1ccc(cc1)OCc2ccccc2C 34a_100000210336_100000211839 [0,2,0,0,0,0|2,0,0]=4 11731 B17R2.496 Cc1ccc(cc1)OCc2ccccc2C 7a_100000210336_100000211839 [0,2,0,0,0,0|2,0,0]=4 11732 B17R2.496 Cc1ccc(cc1)OCc2ccccc2Cl 34a_100000210336_100000187162 [0,2,0,0,0,0|2,0,0]=4 11733 B17R2.496 Cc1ccc(cc1)OCc2ccccc2Cl 7a_100000210336_100000187162 [0,2,0,0,0,0|2,0,0]=4 11734 B17R2.496 Cc1ccc(cc1)OCc2ccccc2F 34a_100000210336_100000211605 [0,2,0,0,0,0|2,0,0]=4 11735 B17R2.496 Cc1ccc(cc1)OCc2ccccc2F 7a_100000210336_100000211605 [0,2,0,0,0,0|2,0,0]=4 11736 B17R2.496 Cc1ccc(cc1)OCc2ccccc2I 34a_100000210336_100011215278 [0,2,0,0,0,0|2,0,0]=4 11737 B17R2.496 Cc1ccc(cc1)OCc2ccccc2I 7a_100000210336_100011215278 [0,2,0,0,0,0|2,0,0]=4 11738 B17R2.496 Cc1ccc(cc1)OCc2cccnc2Br 34a_100000210336_100010140945 [0,2,0,0,0,0|1,0,0]=3 11739 B17R2.496 Cc1ccc(cc1)OCc2cccnc2Br 7a_100000210336_100010140945 [0,2,0,0,0,0|1,0,0]=3 11740 B17R2.496 Cc1ccc(cc1)OCc2cccnc2C 34a_100000210336_100000732876 [0,2,0,0,0,0|1,0,0]=3 11741 B17R2.496 Cc1ccc(cc1)OCc2cccnc2C 7a_100000210336_100000732876 [0,2,0,0,0,0|1,0,0]=3 11742 B17R2.496 Cc1ccc(cc1)OCc2cccnc2Cl 34a_100000210336_100000045678 [0,2,0,0,0,0|1,0,0]=3 11743 B17R2.496 Cc1ccc(cc1)OCc2cccnc2Cl 7a_100000210336_100000045678 [0,2,0,0,0,0|1,0,0]=3 11744 B17R2.496 Cc1ccc(cc1)OCc2cccnc2F 34a_100000210336_100000099810 [0,2,0,0,0,0|1,0,0]=3 11745 B17R2.496 Cc1ccc(cc1)OCc2cccnc2F 7a_100000210336_100000099810 [0,2,0,0,0,0|1,0,0]=3 11746 B17R2.496 Cc1ccc(cc1)OCc2cnccc2C 34a_100000210336_100000690890 [0,2,0,0,0,0|1,0,0]=3 11747 B17R2.496 Cc1ccc(cc1)OCc2cnccc2C 7a_100000210336_100000690890 [0,2,0,0,0,0|1,0,0]=3 11748 B17R2.496 Cc1ccc(cc1)SCc2ccccc2Br 62a_100000184730_100000186775 [0,2,0,0,0,0|2,0,0]=4 11749 B17R2.496 Cc1ccc(cc1)SCc2ccccc2Br 62a_100000186775_100000184730 [0,2,0,0,0,0|2,0,0]=4 11750 B17R2.496 Cc1ccc(cc1)SCc2ccccc2C 62a_100000186775_100000211839 [0,2,0,0,0,0|2,0,0]=4 11751 B17R2.496 Cc1ccc(cc1)SCc2ccccc2C 62a_100000211839_100000186775 [0,2,0,0,0,0|2,0,0]=4 11752 B17R2.496 Cc1ccc(cc1)SCc2ccccc2Cl 62a_100000186775_100000187162 [0,2,0,0,0,0|2,0,0]=4 11753 B17R2.496 Cc1ccc(cc1)SCc2ccccc2Cl 62a_100000187162_100000186775 [0,2,0,0,0,0|2,0,0]=4 11754 B17R2.496 Cc1ccc(cc1)SCc2ccccc2F 62a_100000186775_100000211605 [0,2,0,0,0,0|2,0,0]=4 11755 B17R2.496 Cc1ccc(cc1)SCc2ccccc2F 62a_100000211605_100000186775 [0,2,0,0,0,0|2,0,0]=4 11756 B17R2.496 Cc1ccc(cc1)SCc2ccccc2I 62a_100000186775_100011216222 [0,2,0,0,0,0|2,0,0]=4 11757 B17R2.496 Cc1ccc(cc1)SCc2ccccc2I 62a_100011216222_100000186775 [0,2,0,0,0,0|2,0,0]=4 11758 B17R2.496 Cc1ccc(cc1)SCc2cccnc2Br 62a_100000186775_100010140945 [0,2,0,0,0,0|1,0,0]=3 11759 B17R2.496 Cc1ccc(cc1)SCc2cccnc2Br 62a_100010140945_100000186775 [0,2,0,0,0,0|1,0,0]=3 11760 B17R2.496 Cc1ccc(cc1)SCc2cccnc2C 62a_100000186775_100000732876 [0,2,0,0,0,0|1,0,0]=3 11761 B17R2.496 Cc1ccc(cc1)SCc2cccnc2C 62a_100000732876_100000186775 [0,2,0,0,0,0|1,0,0]=3 11762 B17R2.496 Cc1ccc(cc1)SCc2cccnc2Cl 62a_100000045678_100000186775 [0,2,0,0,0,0|1,0,0]=3 11763 B17R2.496 Cc1ccc(cc1)SCc2cccnc2Cl 62a_100000186775_100000045678 [0,2,0,0,0,0|1,0,0]=3 11764 B17R2.496 Cc1ccc(cc1)SCc2cccnc2F 62a_100000099810_100000186775 [0,2,0,0,0,0|1,0,0]=3 11765 B17R2.496 Cc1ccc(cc1)SCc2cccnc2F 62a_100000186775_100000099810 [0,2,0,0,0,0|1,0,0]=3 11766 B17R2.496 Cc1ccc(cc1)SCc2cnccc2C 62a_100000186775_100000690890 [0,2,0,0,0,0|1,0,0]=3 11767 B17R2.496 Cc1ccc(cc1)SCc2cnccc2C 62a_100000690890_100000186775 [0,2,0,0,0,0|1,0,0]=3 11768 B17R2.496 Cc1ccc(cn1)C=Cc2ccccc2F 271570a_200102527919_100000751577 [0,2,0,0,0,0|1,0,1]=4 11769 B17R2.496 Cc1ccc(cn1)CNc2ccccc2Br 34a_100000210017_100016987292 [0,2,0,0,0,0|0,0,0]=2 11770 B17R2.496 Cc1ccc(cn1)CNc2ccccc2C 270302a_100015192222_100000743784 [0,2,0,0,0,0|0,0,0]=2 11771 B17R2.496 Cc1ccc(cn1)CNc2ccccc2C 34a_100015192222_100016987292 [0,2,0,0,0,0|0,0,0]=2 11772 B17R2.496 Cc1ccc(cn1)CNc2ccccc2Cl 34a_100000185783_100016987292 [0,2,0,0,0,0|0,0,0]=2 11773 B17R2.496 Cc1ccc(cn1)CNc2ccccc2F 34a_100000210422_100016987292 [0,2,0,0,0,0|0,0,0]=2 11774 B17R2.496 Cc1ccc(cn1)CNc2ccccc2I 34a_100000210053_100016987292 [0,2,0,0,0,0|0,0,0]=2 11775 B17R2.496 Cc1ccc(cn1)CNc2ccccc2O 34a_100000185747_100016987292 [0,2,0,0,0,0|0,0,0]=2 11776 B17R2.496 Cc1ccc(cn1)CNc2ccn[nH]c2=O 27a_100000740942_100000087129 [0,2,0,0,0,0|2,0,0]=4 11777 B17R2.496 Cc1ccc(cn1)CNc2ccncc2Br 27a_100000740942_100000726257 [0,2,0,0,0,0|1,0,0]=3 11778 B17R2.496 Cc1ccc(cn1)CNc2ccncc2C 27a_100000740942_100000765111 [0,2,0,0,0,0|1,0,0]=3 11779 B17R2.496 Cc1ccc(cn1)CNc2ccncc2F 27a_100000740942_100000035921 [0,2,0,0,0,0|1,0,0]=3 11780 B17R2.496 Cc1ccc(cn1)CNc2ncccc2Br 27a_100000740942_100000696092 [0,2,0,0,0,0|1,0,0]=3 11781 B17R2.496 Cc1ccc(cn1)CNc2nccnc2C 27a_100000740942_100011999405 [0,2,0,0,0,0|2,0,0]=4 11782 B17R2.496 Cc1ccc(cn1)CNc2nccnc2F 27a_100000740942_200010125657 [0,2,0,0,0,0|2,0,0]=4 11783 B17R2.496 Cc1ccc(cn1)CNc2ncncc2C 27a_100000740942_100011998708 [0,2,0,0,0,0|2,0,0]=4 11784 B17R2.496 Cc1ccc(cn1)CNc2ncncc2F 27a_100000740942_100000069762 [0,2,0,0,0,0|2,0,0]=4 11785 B17R2.496 Cc1ccc(cn1)CNc2ncncc2N 27a_100000740942_100000709731 [0,2,0,0,0,0|2,0,0]=4 11786 B17R2.496 Cc1ccc(cn1)CNc2nnccc2C 27a_100000740942_100000089043 [0,2,0,0,0,0|2,0,0]=4 11787 B17R2.496 Cc1ccc(cn1)COc2cccc[n+]2[O-] 7a_100000211761_100016987292 [0,2,0,0,0,0|2,0,0]=4 11788 B17R2.496 Cc1ccc(cn1)COc2ccccc2Br 34a_100000181306_100016987292 [0,2,0,0,0,0|1,0,0]=3 11789 B17R2.496 Cc1ccc(cn1)COc2ccccc2Br 7a_100000181306_100016987292 [0,2,0,0,0,0|1,0,0]=3 11790 B17R2.496 Cc1ccc(cn1)COc2ccccc2C 34a_100000210338_100016987292 [0,2,0,0,0,0|1,0,0]=3 11791 B17R2.496 Cc1ccc(cn1)COc2ccccc2C 7a_100000210338_100016987292 [0,2,0,0,0,0|1,0,0]=3 11792 B17R2.496 Cc1ccc(cn1)COc2ccccc2Cl 34a_100000210172_100016987292 [0,2,0,0,0,0|1,0,0]=3 11793 B17R2.496 Cc1ccc(cn1)COc2ccccc2Cl 7a_100000210172_100016987292 [0,2,0,0,0,0|1,0,0]=3 11794 B17R2.496 Cc1ccc(cn1)COc2ccccc2F 34a_100000210171_100016987292 [0,2,0,0,0,0|1,0,0]=3 11795 B17R2.496 Cc1ccc(cn1)COc2ccccc2F 7a_100000210171_100016987292 [0,2,0,0,0,0|1,0,0]=3 11796 B17R2.496 Cc1ccc(cn1)COc2ccccc2I 34a_100000739446_100016987292 [0,2,0,0,0,0|1,0,0]=3 11797 B17R2.496 Cc1ccc(cn1)COc2ccccc2I 7a_100000739446_100016987292 [0,2,0,0,0,0|1,0,0]=3 11798 B17R2.496 Cc1ccc(cn1)COc2ccccc2N 34a_100000185747_100016987292 [0,2,0,0,0,0|1,0,0]=3 11799 B17R2.496 Cc1ccc(cn1)COc2ccccc2N 7a_100000185747_100016987292 [0,2,0,0,0,0|1,0,0]=3 11800 B17R2.496 Cc1ccc(cn1)COc2cccnc2Br 34a_100000744436_100016987292 [0,2,0,0,0,0|2,0,0]=4 11801 B17R2.496 Cc1ccc(cn1)COc2cccnc2Br 7a_100000744436_100016987292 [0,2,0,0,0,0|2,0,0]=4 11802 B17R2.496 Cc1ccc(cn1)COc2cccnc2C 34a_100000745507_100016987292 [0,2,0,0,0,0|2,0,0]=4 11803 B17R2.496 Cc1ccc(cn1)COc2cccnc2C 7a_100000745507_100016987292 [0,2,0,0,0,0|2,0,0]=4 11804 B17R2.496 Cc1ccc(cn1)COc2cccnc2Cl 34a_100000757616_100016987292 [0,2,0,0,0,0|2,0,0]=4 11805 B17R2.496 Cc1ccc(cn1)COc2cccnc2Cl 7a_100000757616_100016987292 [0,2,0,0,0,0|2,0,0]=4 11806 B17R2.496 Cc1ccc(cn1)COc2cccnc2F 34a_100000061740_100016987292 [0,2,0,0,0,0|2,0,0]=4 11807 B17R2.496 Cc1ccc(cn1)COc2cccnc2F 7a_100000061740_100016987292 [0,2,0,0,0,0|2,0,0]=4 11808 B17R2.496 Cc1ccc(cn1)COc2cccnc2I 34a_100000034122_100016987292 [0,2,0,0,0,0|2,0,0]=4 11809 B17R2.496 Cc1ccc(cn1)COc2cccnc2I 7a_100000034122_100016987292 [0,2,0,0,0,0|2,0,0]=4 11810 B17R2.496 Cc1ccc(cn1)COc2cccnc2N 34a_100000211975_100016987292 [0,2,0,0,0,0|2,0,0]=4 11811 B17R2.496 Cc1ccc(cn1)COc2cccnc2N 7a_100000211975_100016987292 [0,2,0,0,0,0|2,0,0]=4 11812 B17R2.496 Cc1ccc(cn1)COc2cccoc2=O 34a_100000077404_100016987292 [0,2,0,0,0,0|2,0,0]=4 11813 B17R2.496 Cc1ccc(cn1)COc2cccoc2=O 7a_100000077404_100016987292 [0,2,0,0,0,0|2,0,0]=4 11814 B17R2.496 Cc1ccc(cn1)COc2ccncc2Br 34a_100011996408_100016987292 [0,2,0,0,0,0|2,0,0]=4 11815 B17R2.496 Cc1ccc(cn1)COc2ccncc2C 34a_100000694293_100016987292 [0,2,0,0,0,0|2,0,0]=4 11816 B17R2.496 Cc1ccc(cn1)COc2ccncc2Cl 34a_100011997054_100016987292 [0,2,0,0,0,0|2,0,0]=4 11817 B17R2.496 Cc1ccc(cn1)COc2ccncc2F 34a_200000081243_100016987292 [0,2,0,0,0,0|2,0,0]=4 11818 B17R2.496 Cc1ccc(cn1)COc2cnccc2C 34a_100011997053_100016987292 [0,2,0,0,0,0|2,0,0]=4 11819 B17R2.496 Cc1ccc(cn1)COc2cnccc2C 7a_100011997053_100016987292 [0,2,0,0,0,0|2,0,0]=4 11820 B17R2.496 Cc1ccc(cn1)COc2cnccc2Cl 34a_100011996695_100016987292 [0,2,0,0,0,0|2,0,0]=4 11821 B17R2.496 Cc1ccc(cn1)COc2cnccc2I 34a_100000050107_100016987292 [0,2,0,0,0,0|2,0,0]=4 11822 B17R2.496 Cc1ccc(cn1)COc2cnccc2N 34a_100000753702_100016987292 [0,2,0,0,0,0|2,0,0]=4 11823 B17R2.496 Cc1ccc(cn1)COc2coccc2=O 34a_100000060831_100016987292 [0,2,0,0,0,0|2,0,0]=4 11824 B17R2.496 Cc1ccc(cn1)COc2ncccc2Cl 34a_100011290957_100016987292 [0,2,0,0,0,0|2,0,0]=4 11825 B17R2.496 Cc1ccc(cn1)COc2ncccc2F 34a_100011219419_100016987292 [0,2,0,0,0,0|2,0,0]=4 11826 B17R2.496 Cc1ccc(cn1)COc2ncccc2N 34a_100000746358_100016987292 [0,2,0,0,0,0|2,0,0]=4 11827 B17R2.496 Cc1ccc(cn1)CSc2c[nH]ccc2=O 62a_100009998708_100016987292 [0,2,0,0,0,0|2,0,0]=4 11828 B17R2.496 Cc1ccc(cn1)CSc2c[nH]ccc2=O 62a_100016987292_100009998708 [0,2,0,0,0,0|2,0,0]=4 11829 B17R2.496 Cc1ccc(cn1)CSc2c[nH]ccc2=S 62a_100016987292_200012280681 [0,2,0,0,0,0|2,0,0]=4 11830 B17R2.496 Cc1ccc(cn1)CSc2c[nH]ccc2=S 62a_200012280681_100016987292 [0,2,0,0,0,0|2,0,0]=4 11831 B17R2.496 Cc1ccc(cn1)CSc2cccc[n+]2C 62a_100016987292_100000212160 [0,2,0,0,0,0|2,0,0]=4 11832 B17R2.496 Cc1ccc(cn1)CSc2cccc[n+]2[O-] 62a_100016987292_200000042595 [0,2,0,0,0,0|2,0,0]=4 11833 B17R2.496 Cc1ccc(cn1)CSc2ccccc2Br 62a_100000695589_100016987292 [0,2,0,0,0,0|1,0,0]=3 11834 B17R2.496 Cc1ccc(cn1)CSc2ccccc2Br 62a_100016987292_100000695589 [0,2,0,0,0,0|1,0,0]=3 11835 B17R2.496 Cc1ccc(cn1)CSc2ccccc2C 62a_100000210755_100016987292 [0,2,0,0,0,0|1,0,0]=3 11836 B17R2.496 Cc1ccc(cn1)CSc2ccccc2C 62a_100016987292_100000210755 [0,2,0,0,0,0|1,0,0]=3 11837 B17R2.496 Cc1ccc(cn1)CSc2ccccc2Cl 62a_100000764095_100016987292 [0,2,0,0,0,0|1,0,0]=3 11838 B17R2.496 Cc1ccc(cn1)CSc2ccccc2Cl 62a_100016987292_100000764095 [0,2,0,0,0,0|1,0,0]=3 11839 B17R2.496 Cc1ccc(cn1)CSc2ccccc2F 62a_100011215700_100016987292 [0,2,0,0,0,0|1,0,0]=3 11840 B17R2.496 Cc1ccc(cn1)CSc2ccccc2F 62a_100016987292_100011215700 [0,2,0,0,0,0|1,0,0]=3 11841 B17R2.496 Cc1ccc(cn1)CSc2ccccc2N 62a_100000210017_100016987292 [0,2,0,0,0,0|1,0,0]=3 11842 B17R2.496 Cc1ccc(cn1)CSc2ccccc2N 62a_100016987292_100000210017 [0,2,0,0,0,0|1,0,0]=3 11843 B17R2.496 Cc1ccc(cn1)CSc2ccccc2O 62a_100000739446_100016987292 [0,2,0,0,0,0|1,0,0]=3 11844 B17R2.496 Cc1ccc(cn1)CSc2ccccc2O 62a_100016987292_100000739446 [0,2,0,0,0,0|1,0,0]=3 11845 B17R2.496 Cc1ccc(cn1)CSc2cccnc2Br 62a_100010202626_100016987292 [0,2,0,0,0,0|2,0,0]=4 11846 B17R2.496 Cc1ccc(cn1)CSc2cccnc2Br 62a_100016987292_100010202626 [0,2,0,0,0,0|2,0,0]=4 11847 B17R2.496 Cc1ccc(cn1)CSc2cccnc2C 62a_100000751574_100016987292 [0,2,0,0,0,0|2,0,0]=4 11848 B17R2.496 Cc1ccc(cn1)CSc2cccnc2C 62a_100016987292_100000751574 [0,2,0,0,0,0|2,0,0]=4 11849 B17R2.496 Cc1ccc(cn1)CSc2cccnc2Cl 62a_100000036424_100016987292 [0,2,0,0,0,0|2,0,0]=4 11850 B17R2.496 Cc1ccc(cn1)CSc2cccnc2Cl 62a_100016987292_100000036424 [0,2,0,0,0,0|2,0,0]=4 11851 B17R2.496 Cc1ccc(cn1)CSc2cccnc2F 62a_100009816115_100016987292 [0,2,0,0,0,0|2,0,0]=4 11852 B17R2.496 Cc1ccc(cn1)CSc2cccnc2F 62a_100016987292_100009816115 [0,2,0,0,0,0|2,0,0]=4 11853 B17R2.496 Cc1ccc(cn1)CSc2cccnc2N 62a_100000045569_100016987292 [0,2,0,0,0,0|2,0,0]=4 11854 B17R2.496 Cc1ccc(cn1)CSc2cccnc2N 62a_100016987292_100000045569 [0,2,0,0,0,0|2,0,0]=4 11855 B17R2.496 Cc1ccc(cn1)CSc2cccnc2O 62a_100000760158_100016987292 [0,2,0,0,0,0|2,0,0]=4 11856 B17R2.496 Cc1ccc(cn1)CSc2cccnc2O 62a_100016987292_100000760158 [0,2,0,0,0,0|2,0,0]=4 11857 B17R2.496 Cc1ccc(cn1)CSc2ccncc2Br 62a_100000726257_100016987292 [0,2,0,0,0,0|2,0,0]=4 11858 B17R2.496 Cc1ccc(cn1)CSc2ccncc2Br 62a_100016987292_100000726257 [0,2,0,0,0,0|2,0,0]=4 11859 B17R2.496 Cc1ccc(cn1)CSc2ccncc2C 62a_100000765111_100016987292 [0,2,0,0,0,0|2,0,0]=4 11860 B17R2.496 Cc1ccc(cn1)CSc2ccncc2C 62a_100016987292_100000765111 [0,2,0,0,0,0|2,0,0]=4 11861 B17R2.496 Cc1ccc(cn1)CSc2ccncc2Cl 62a_100000708259_100016987292 [0,2,0,0,0,0|2,0,0]=4 11862 B17R2.496 Cc1ccc(cn1)CSc2ccncc2Cl 62a_100016987292_100000708259 [0,2,0,0,0,0|2,0,0]=4 11863 B17R2.496 Cc1ccc(cn1)CSc2ccncc2F 62a_100000047030_100016987292 [0,2,0,0,0,0|2,0,0]=4 11864 B17R2.496 Cc1ccc(cn1)CSc2ccncc2F 62a_100016987292_100000047030 [0,2,0,0,0,0|2,0,0]=4 11865 B17R2.496 Cc1ccc(cn1)CSc2ccncc2N 62a_100000756074_100016987292 [0,2,0,0,0,0|2,0,0]=4 11866 B17R2.496 Cc1ccc(cn1)CSc2ccncc2N 62a_100016987292_100000756074 [0,2,0,0,0,0|2,0,0]=4 11867 B17R2.496 Cc1ccc(cn1)CSc2ccncc2O 62a_100009817591_100016987292 [0,2,0,0,0,0|2,0,0]=4 11868 B17R2.496 Cc1ccc(cn1)CSc2ccncc2O 62a_100016987292_100009817591 [0,2,0,0,0,0|2,0,0]=4 11869 B17R2.496 Cc1ccc(cn1)CSc2cnccc2Br 62a_100010138639_100016987292 [0,2,0,0,0,0|2,0,0]=4 11870 B17R2.496 Cc1ccc(cn1)CSc2cnccc2Br 62a_100016987292_100010138639 [0,2,0,0,0,0|2,0,0]=4 11871 B17R2.496 Cc1ccc(cn1)CSc2cnccc2C 62a_100000761580_100016987292 [0,2,0,0,0,0|2,0,0]=4 11872 B17R2.496 Cc1ccc(cn1)CSc2cnccc2C 62a_100016987292_100000761580 [0,2,0,0,0,0|2,0,0]=4 11873 B17R2.496 Cc1ccc(cn1)CSc2cnccc2Cl 62a_100009995489_100016987292 [0,2,0,0,0,0|2,0,0]=4 11874 B17R2.496 Cc1ccc(cn1)CSc2cnccc2Cl 62a_100016987292_100009995489 [0,2,0,0,0,0|2,0,0]=4 11875 B17R2.496 Cc1ccc(cn1)CSc2cnccc2F 62a_100009820683_100016987292 [0,2,0,0,0,0|2,0,0]=4 11876 B17R2.496 Cc1ccc(cn1)CSc2cnccc2F 62a_100016987292_100009820683 [0,2,0,0,0,0|2,0,0]=4 11877 B17R2.496 Cc1ccc(cn1)CSc2cnccc2N 62a_100000047001_100016987292 [0,2,0,0,0,0|2,0,0]=4 11878 B17R2.496 Cc1ccc(cn1)CSc2cnccc2N 62a_100016987292_100000047001 [0,2,0,0,0,0|2,0,0]=4 11879 B17R2.496 Cc1ccc(cn1)CSc2ncccc2Br 62a_100000696092_100016987292 [0,2,0,0,0,0|2,0,0]=4 11880 B17R2.496 Cc1ccc(cn1)CSc2ncccc2Br 62a_100016987292_100000696092 [0,2,0,0,0,0|2,0,0]=4 11881 B17R2.496 Cc1ccc(cn1)CSc2ncccc2C 62a_100000751373_100016987292 [0,2,0,0,0,0|2,0,0]=4 11882 B17R2.496 Cc1ccc(cn1)CSc2ncccc2C 62a_100016987292_100000751373 [0,2,0,0,0,0|2,0,0]=4 11883 B17R2.496 Cc1ccc(cn1)CSc2ncccc2Cl 62a_100011356963_100016987292 [0,2,0,0,0,0|2,0,0]=4 11884 B17R2.496 Cc1ccc(cn1)CSc2ncccc2Cl 62a_100016987292_100011356963 [0,2,0,0,0,0|2,0,0]=4 11885 B17R2.496 Cc1ccc(cn1)CSc2ncccc2F 62a_100000685392_100016987292 [0,2,0,0,0,0|2,0,0]=4 11886 B17R2.496 Cc1ccc(cn1)CSc2ncccc2F 62a_100016987292_100000685392 [0,2,0,0,0,0|2,0,0]=4 11887 B17R2.496 Cc1ccc(cn1)CSc2ncccc2N 62a_100000688686_100016987292 [0,2,0,0,0,0|2,0,0]=4 11888 B17R2.496 Cc1ccc(cn1)CSc2ncccc2N 62a_100016987292_100000688686 [0,2,0,0,0,0|2,0,0]=4 11889 B17R2.496 Cc1ccc(cn1)CSc2ncccc2O 62a_100000034122_100016987292 [0,2,0,0,0,0|2,0,0]=4 11890 B17R2.496 Cc1ccc(cn1)CSc2ncccc2O 62a_100016987292_100000034122 [0,2,0,0,0,0|2,0,0]=4 11891 B17R2.496 Cc1ccc(cn1)OCc2ccccc2Br 34a_100000745506_100000184730 [0,2,0,0,0,0|2,0,0]=4 11892 B17R2.496 Cc1ccc(cn1)OCc2ccccc2Br 7a_100000745506_100000184730 [0,2,0,0,0,0|2,0,0]=4 11893 B17R2.496 Cc1ccc(cn1)OCc2ccccc2C 34a_100000745506_100000211839 [0,2,0,0,0,0|2,0,0]=4 11894 B17R2.496 Cc1ccc(cn1)OCc2ccccc2C 7a_100000745506_100000211839 [0,2,0,0,0,0|2,0,0]=4 11895 B17R2.496 Cc1ccc(cn1)OCc2ccccc2Cl 34a_100000745506_100000187162 [0,2,0,0,0,0|2,0,0]=4 11896 B17R2.496 Cc1ccc(cn1)OCc2ccccc2Cl 7a_100000745506_100000187162 [0,2,0,0,0,0|2,0,0]=4 11897 B17R2.496 Cc1ccc(cn1)OCc2ccccc2F 34a_100000745506_100000211605 [0,2,0,0,0,0|2,0,0]=4 11898 B17R2.496 Cc1ccc(cn1)OCc2ccccc2F 7a_100000745506_100000211605 [0,2,0,0,0,0|2,0,0]=4 11899 B17R2.496 Cc1ccc(cn1)OCc2ccccc2I 34a_100000745506_100011215278 [0,2,0,0,0,0|2,0,0]=4 11900 B17R2.496 Cc1ccc(cn1)OCc2ccccc2I 7a_100000745506_100011215278 [0,2,0,0,0,0|2,0,0]=4 11901 B17R2.496 Cc1ccc(cn1)OCc2cccnc2Br 34a_100000745506_100010140945 [0,2,0,0,0,0|2,0,0]=4 11902 B17R2.496 Cc1ccc(cn1)OCc2cccnc2Br 7a_100000745506_100010140945 [0,2,0,0,0,0|2,0,0]=4 11903 B17R2.496 Cc1ccc(cn1)OCc2cccnc2C 34a_100000745506_100000732876 [0,2,0,0,0,0|2,0,0]=4 11904 B17R2.496 Cc1ccc(cn1)OCc2cccnc2C 7a_100000745506_100000732876 [0,2,0,0,0,0|2,0,0]=4 11905 B17R2.496 Cc1ccc(cn1)OCc2cccnc2Cl 34a_100000745506_100000045678 [0,2,0,0,0,0|2,0,0]=4 11906 B17R2.496 Cc1ccc(cn1)OCc2cccnc2Cl 7a_100000745506_100000045678 [0,2,0,0,0,0|2,0,0]=4 11907 B17R2.496 Cc1ccc(cn1)OCc2cccnc2F 34a_100000745506_100000099810 [0,2,0,0,0,0|2,0,0]=4 11908 B17R2.496 Cc1ccc(cn1)OCc2cccnc2F 7a_100000745506_100000099810 [0,2,0,0,0,0|2,0,0]=4 11909 B17R2.496 Cc1ccc(cn1)OCc2cnccc2C 34a_100000745506_100000690890 [0,2,0,0,0,0|2,0,0]=4 11910 B17R2.496 Cc1ccc(cn1)OCc2cnccc2C 7a_100000745506_100000690890 [0,2,0,0,0,0|2,0,0]=4 11911 B17R2.496 Cc1ccc(cn1)SCc2ccccc2Br 62a_100000184730_100000751577 [0,2,0,0,0,0|2,0,0]=4 11912 B17R2.496 Cc1ccc(cn1)SCc2ccccc2Br 62a_100000751577_100000184730 [0,2,0,0,0,0|2,0,0]=4 11913 B17R2.496 Cc1ccc(cn1)SCc2ccccc2C 62a_100000211839_100000751577 [0,2,0,0,0,0|2,0,0]=4 11914 B17R2.496 Cc1ccc(cn1)SCc2ccccc2C 62a_100000751577_100000211839 [0,2,0,0,0,0|2,0,0]=4 11915 B17R2.496 Cc1ccc(cn1)SCc2ccccc2Cl 62a_100000187162_100000751577 [0,2,0,0,0,0|2,0,0]=4 11916 B17R2.496 Cc1ccc(cn1)SCc2ccccc2Cl 62a_100000751577_100000187162 [0,2,0,0,0,0|2,0,0]=4 11917 B17R2.496 Cc1ccc(cn1)SCc2ccccc2F 62a_100000211605_100000751577 [0,2,0,0,0,0|2,0,0]=4 11918 B17R2.496 Cc1ccc(cn1)SCc2ccccc2F 62a_100000751577_100000211605 [0,2,0,0,0,0|2,0,0]=4 11919 B17R2.496 Cc1ccc(cn1)SCc2ccccc2I 62a_100000751577_100011216222 [0,2,0,0,0,0|2,0,0]=4 11920 B17R2.496 Cc1ccc(cn1)SCc2ccccc2I 62a_100011216222_100000751577 [0,2,0,0,0,0|2,0,0]=4 11921 B17R2.496 Cc1ccc(cn1)SCc2cccnc2Br 62a_100000751577_100010140945 [0,2,0,0,0,0|2,0,0]=4 11922 B17R2.496 Cc1ccc(cn1)SCc2cccnc2Br 62a_100010140945_100000751577 [0,2,0,0,0,0|2,0,0]=4 11923 B17R2.496 Cc1ccc(cn1)SCc2cccnc2C 62a_100000732876_100000751577 [0,2,0,0,0,0|2,0,0]=4 11924 B17R2.496 Cc1ccc(cn1)SCc2cccnc2C 62a_100000751577_100000732876 [0,2,0,0,0,0|2,0,0]=4 11925 B17R2.496 Cc1ccc(cn1)SCc2cccnc2Cl 62a_100000045678_100000751577 [0,2,0,0,0,0|2,0,0]=4 11926 B17R2.496 Cc1ccc(cn1)SCc2cccnc2Cl 62a_100000751577_100000045678 [0,2,0,0,0,0|2,0,0]=4 11927 B17R2.496 Cc1ccc(cn1)SCc2cccnc2F 62a_100000099810_100000751577 [0,2,0,0,0,0|2,0,0]=4 11928 B17R2.496 Cc1ccc(cn1)SCc2cccnc2F 62a_100000751577_100000099810 [0,2,0,0,0,0|2,0,0]=4 11929 B17R2.496 Cc1ccc(cn1)SCc2cnccc2C 62a_100000690890_100000751577 [0,2,0,0,0,0|2,0,0]=4 11930 B17R2.496 Cc1ccc(cn1)SCc2cnccc2C 62a_100000751577_100000690890 [0,2,0,0,0,0|2,0,0]=4 11931 B17R2.496 Cc1ccc(nc1)CNc2ccccc2Br 207a_100000210017_100000050478 [0,2,0,0,0,0|2,0,0]=4 11932 B17R2.496 Cc1ccc(nc1)CNc2ccccc2Br 34a_100000210017_100000691093 [0,2,0,0,0,0|2,0,0]=4 11933 B17R2.496 Cc1ccc(nc1)CNc2ccccc2C 207a_100015192222_100000050478 [0,2,0,0,0,0|2,0,0]=4 11934 B17R2.496 Cc1ccc(nc1)CNc2ccccc2C 34a_100015192222_100000691093 [0,2,0,0,0,0|2,0,0]=4 11935 B17R2.496 Cc1ccc(nc1)CNc2ccccc2Cl 207a_100000185783_100000050478 [0,2,0,0,0,0|2,0,0]=4 11936 B17R2.496 Cc1ccc(nc1)CNc2ccccc2Cl 34a_100000185783_100000691093 [0,2,0,0,0,0|2,0,0]=4 11937 B17R2.496 Cc1ccc(nc1)CNc2ccccc2F 207a_100000210422_100000050478 [0,2,0,0,0,0|2,0,0]=4 11938 B17R2.496 Cc1ccc(nc1)CNc2ccccc2F 34a_100000210422_100000691093 [0,2,0,0,0,0|2,0,0]=4 11939 B17R2.496 Cc1ccc(nc1)CNc2ccccc2I 207a_100000210053_100000050478 [0,2,0,0,0,0|2,0,0]=4 11940 B17R2.496 Cc1ccc(nc1)CNc2ccccc2I 34a_100000210053_100000691093 [0,2,0,0,0,0|2,0,0]=4 11941 B17R2.496 Cc1ccc(nc1)CNc2ccccc2O 34a_100000185747_100000691093 [0,2,0,0,0,0|2,0,0]=4 11942 B17R2.496 Cc1ccc(nc1)OCc2cccnc2Br 34a_100000759353_100010140945 [0,2,0,0,0,0|2,0,0]=4 11943 B17R2.496 Cc1ccc(nc1)OCc2cccnc2C 34a_100000759353_100000732876 [0,2,0,0,0,0|2,0,0]=4 11944 B17R2.496 Cc1ccc(nc1)OCc2cccnc2Cl 34a_100000759353_100000045678 [0,2,0,0,0,0|2,0,0]=4 11945 B17R2.496 Cc1ccc(nc1)OCc2cccnc2F 34a_100000759353_100000099810 [0,2,0,0,0,0|2,0,0]=4 11946 B17R2.496 Cc1ccc(nc1)OCc2cnccc2C 34a_100000759353_100000690890 [0,2,0,0,0,0|2,0,0]=4 11947 B17R2.496 Cc1ccc(nc1)SCc2cccnc2Br 62a_100010140945_100000754016 [0,2,0,0,0,0|2,0,0]=4 11948 B17R2.496 Cc1ccc(nc1)SCc2cccnc2Br 62a_100011192072_100010140945 [0,2,0,0,0,0|2,0,0]=4 11949 B17R2.496 Cc1ccc(nc1)SCc2cccnc2C 62a_100000732876_100000754016 [0,2,0,0,0,0|2,0,0]=4 11950 B17R2.496 Cc1ccc(nc1)SCc2cccnc2C 62a_100011192072_100000732876 [0,2,0,0,0,0|2,0,0]=4 11951 B17R2.496 Cc1ccc(nc1)SCc2cccnc2Cl 62a_100000045678_100000754016 [0,2,0,0,0,0|2,0,0]=4 11952 B17R2.496 Cc1ccc(nc1)SCc2cccnc2Cl 62a_100011192072_100000045678 [0,2,0,0,0,0|2,0,0]=4 11953 B17R2.496 Cc1ccc(nc1)SCc2cccnc2F 62a_100000099810_100000754016 [0,2,0,0,0,0|2,0,0]=4 11954 B17R2.496 Cc1ccc(nc1)SCc2cccnc2F 62a_100011192072_100000099810 [0,2,0,0,0,0|2,0,0]=4 11955 B17R2.496 Cc1ccc(nc1)SCc2cnccc2C 62a_100000690890_100000754016 [0,2,0,0,0,0|2,0,0]=4 11956 B17R2.496 Cc1ccc(nc1)SCc2cnccc2C 62a_100011192072_100000690890 [0,2,0,0,0,0|2,0,0]=4 11957 B17R2.496 Cc1ccc(nn1)NCc2cccnc2Br 27a_100009818023_100000744512 [0,2,0,0,0,0|2,0,0]=4 11958 B17R2.496 Cc1ccc(nn1)NCc2cccnc2Cl 27a_100015189234_100000744512 [0,2,0,0,0,0|2,0,0]=4 11959 B17R2.496 Cc1ccc(nn1)NCc2cccnc2F 27a_100000724633_100000744512 [0,2,0,0,0,0|2,0,0]=4 11960 B17R2.496 Cc1ccc(nn1)NCc2cnccc2C 27a_100011997553_100000744512 [0,2,0,0,0,0|2,0,0]=4 11961 B17R2.496 Cc1ccccc1CNc2ccc(cc2)Br 207a_100000210018_100000211143 [0,2,0,0,0,0|1,0,0]=3 11962 B17R2.496 Cc1ccccc1CNc2ccc(cc2)Br 2230a_100000210018_100000211839 [0,2,0,0,0,0|1,0,0]=3 11963 B17R2.496 Cc1ccccc1CNc2ccc(cc2)Br 270302a_100000210018_100000211143 [0,2,0,0,0,0|1,0,0]=3 11964 B17R2.496 Cc1ccccc1CNc2ccc(cc2)Br 34a_100000210018_100000211839 [0,2,0,0,0,0|1,0,0]=3 11965 B17R2.496 Cc1ccccc1CNc2ccc(cc2)Cl 207a_100000210052_100000211143 [0,2,0,0,0,0|1,0,0]=3 11966 B17R2.496 Cc1ccccc1CNc2ccc(cc2)Cl 2230a_100000210052_100000211839 [0,2,0,0,0,0|1,0,0]=3 11967 B17R2.496 Cc1ccccc1CNc2ccc(cc2)Cl 270302a_100000210052_100000211143 [0,2,0,0,0,0|1,0,0]=3 11968 B17R2.496 Cc1ccccc1CNc2ccc(cc2)Cl 34a_100000210052_100000211839 [0,2,0,0,0,0|1,0,0]=3 11969 B17R2.496 Cc1ccccc1CNc2ccc(cc2)F 207a_100000185862_100000211143 [0,2,0,0,0,0|1,0,0]=3 11970 B17R2.496 Cc1ccccc1CNc2ccc(cc2)F 270302a_100000185862_100000211143 [0,2,0,0,0,0|1,0,0]=3 11971 B17R2.496 Cc1ccccc1CNc2ccc(cc2)F 34a_100000185862_100000211839 [0,2,0,0,0,0|1,0,0]=3 11972 B17R2.496 Cc1ccccc1CNc2ccc(cc2)I 207a_100000185761_100000211143 [0,2,0,0,0,0|1,0,0]=3 11973 B17R2.496 Cc1ccccc1CNc2ccc(cc2)I 270302a_100000185761_100000211143 [0,2,0,0,0,0|1,0,0]=3 11974 B17R2.496 Cc1ccccc1CNc2ccc(cc2)I 34a_100000185761_100000211839 [0,2,0,0,0,0|1,0,0]=3 11975 B17R2.496 Cc1ccccc1CNc2ccc(cc2)O 270302a_100000185829_100000211143 [0,2,0,0,0,0|1,0,0]=3 11976 B17R2.496 Cc1ccccc1CNc2ccc(cc2)O 34a_100000185829_100000211839 [0,2,0,0,0,0|1,0,0]=3 11977 B17R2.496 Cc1ccccc1CNc2ccc(cn2)Br 27a_100000174972_100000686858 [0,2,0,0,0,0|2,0,0]=4 11978 B17R2.496 Cc1ccccc1COc2ccc(cc2)Br 34a_100000185759_100000211839 [0,2,0,0,0,0|2,0,0]=4 11979 B17R2.496 Cc1ccccc1COc2ccc(cc2)Br 7a_100000185759_100000211839 [0,2,0,0,0,0|2,0,0]=4 11980 B17R2.496 Cc1ccccc1COc2ccc(cc2)Cl 34a_100000210216_100000211839 [0,2,0,0,0,0|2,0,0]=4 11981 B17R2.496 Cc1ccccc1COc2ccc(cc2)Cl 7a_100000210216_100000211839 [0,2,0,0,0,0|2,0,0]=4 11982 B17R2.496 Cc1ccccc1COc2ccc(cc2)F 34a_100000210339_100000211839 [0,2,0,0,0,0|2,0,0]=4 11983 B17R2.496 Cc1ccccc1COc2ccc(cc2)I 34a_100000212066_100000211839 [0,2,0,0,0,0|2,0,0]=4 11984 B17R2.496 Cc1ccccc1COc2ccc(cc2)I 7a_100000212066_100000211839 [0,2,0,0,0,0|2,0,0]=4 11985 B17R2.496 Cc1ccccc1COc2ccc(cc2)N 34a_100000185829_100000211839 [0,2,0,0,0,0|2,0,0]=4 11986 B17R2.496 Cc1ccccc1COc2ccc(nc2)Br 34a_100000685995_100000211839 [0,2,0,0,0,0|2,0,0]=4 11987 B17R2.496 Cc1ccccc1COc2ccc(nc2)Br 7a_100000685995_100000211839 [0,2,0,0,0,0|2,0,0]=4 11988 B17R2.496 Cc1ccccc1COc2ccc(nc2)Cl 34a_100000744096_100000211839 [0,2,0,0,0,0|2,0,0]=4 11989 B17R2.496 Cc1ccccc1COc2ccc(nc2)Cl 7a_100000744096_100000211839 [0,2,0,0,0,0|2,0,0]=4 11990 B17R2.496 Cc1ccccc1COc2ccc(nc2)F 34a_100000688820_100000211839 [0,2,0,0,0,0|2,0,0]=4 11991 B17R2.496 Cc1ccccc1COc2ccc(nc2)F 7a_100000688820_100000211839 [0,2,0,0,0,0|2,0,0]=4 11992 B17R2.496 Cc1ccccc1COc2ccc(nc2)I 34a_100000687607_100000211839 [0,2,0,0,0,0|2,0,0]=4 11993 B17R2.496 Cc1ccccc1COc2ccc(nc2)I 7a_100000687607_100000211839 [0,2,0,0,0,0|2,0,0]=4 11994 B17R2.496 Cc1ccccc1COc2ccc(nc2)N 34a_100015188713_100000211839 [0,2,0,0,0,0|2,0,0]=4 11995 B17R2.496 Cc1ccccc1COc2ccc(nc2)N 7a_100015188713_100000211839 [0,2,0,0,0,0|2,0,0]=4 11996 B17R2.496 Cc1ccccc1CSc2ccc(cc2)Br 62a_100000211839_100000752885 [0,2,0,0,0,0|2,0,0]=4 11997 B17R2.496 Cc1ccccc1CSc2ccc(cc2)Br 62a_100000752885_100000211839 [0,2,0,0,0,0|2,0,0]=4 11998 B17R2.496 Cc1ccccc1CSc2ccc(cc2)Cl 62a_100000211839_100000755918 [0,2,0,0,0,0|2,0,0]=4 11999 B17R2.496 Cc1ccccc1CSc2ccc(cc2)Cl 62a_100000755918_100000211839 [0,2,0,0,0,0|2,0,0]=4 12000 B17R2.496 Cc1ccccc1CSc2ccc(cc2)F 62a_100000211213_100000211839 [0,2,0,0,0,0|2,0,0]=4 12001 B17R2.496 Cc1ccccc1CSc2ccc(cc2)F 62a_100000211839_100000211213 [0,2,0,0,0,0|2,0,0]=4 12002 B17R2.496 Cc1ccccc1CSc2ccc(cc2)N 62a_100000185761_100000211839 [0,2,0,0,0,0|2,0,0]=4 12003 B17R2.496 Cc1ccccc1CSc2ccc(cc2)N 62a_100000211839_100000185761 [0,2,0,0,0,0|2,0,0]=4 12004 B17R2.496 Cc1ccccc1CSc2ccc(cc2)O 62a_100000211839_100000185759 [0,2,0,0,0,0|2,0,0]=4 12005 B17R2.496 Cc1ccccc1CSc2ccc(nc2)Br 62a_100000211839_100009814638 [0,2,0,0,0,0|2,0,0]=4 12006 B17R2.496 Cc1ccccc1CSc2ccc(nc2)Br 62a_100009814638_100000211839 [0,2,0,0,0,0|2,0,0]=4 12007 B17R2.496 Cc1ccccc1CSc2ccc(nc2)Cl 62a_100000034144_100000211839 [0,2,0,0,0,0|2,0,0]=4 12008 B17R2.496 Cc1ccccc1CSc2ccc(nc2)Cl 62a_100000211839_100000034144 [0,2,0,0,0,0|2,0,0]=4 12009 B17R2.496 Cc1ccccc1CSc2ccc(nc2)F 62a_100000042367_100000211839 [0,2,0,0,0,0|2,0,0]=4 12010 B17R2.496 Cc1ccccc1CSc2ccc(nc2)F 62a_100000211839_100000042367 [0,2,0,0,0,0|2,0,0]=4 12011 B17R2.496 Cc1ccccc1CSc2ccc(nc2)N 62a_100000187370_100000211839 [0,2,0,0,0,0|2,0,0]=4 12012 B17R2.496 Cc1ccccc1CSc2ccc(nc2)N 62a_100000211839_100000187370 [0,2,0,0,0,0|2,0,0]=4 12013 B17R2.496 Cc1ccccc1NCc2ccc(=O)[nH]n2 207a_100015192222_100011361533 [0,2,0,0,0,0|1,0,1]=4 12014 B17R2.496 Cc1ccccc1NCc2ccc(cc2)Br 207a_100015192222_100000186029 [0,2,0,0,0,0|1,0,0]=3 12015 B17R2.496 Cc1ccccc1NCc2ccc(cc2)Br 270302a_100015192222_100000186029 [0,2,0,0,0,0|1,0,0]=3 12016 B17R2.496 Cc1ccccc1NCc2ccc(cc2)Br 34a_100015192222_100000189115 [0,2,0,0,0,0|1,0,0]=3 12017 B17R2.496 Cc1ccccc1NCc2ccc(cc2)Cl 207a_100015192222_100000189385 [0,2,0,0,0,0|1,0,0]=3 12018 B17R2.496 Cc1ccccc1NCc2ccc(cc2)Cl 270302a_100015192222_100000189385 [0,2,0,0,0,0|1,0,0]=3 12019 B17R2.496 Cc1ccccc1NCc2ccc(cc2)Cl 34a_100015192222_100000694040 [0,2,0,0,0,0|1,0,0]=3 12020 B17R2.496 Cc1ccccc1NCc2ccc(cc2)F 207a_100015192222_100000210084 [0,2,0,0,0,0|1,0,0]=3 12021 B17R2.496 Cc1ccccc1NCc2ccc(cc2)F 270302a_100015192222_100000210084 [0,2,0,0,0,0|1,0,0]=3 12022 B17R2.496 Cc1ccccc1NCc2ccc(cc2)F 34a_100015192222_100000198546 [0,2,0,0,0,0|1,0,0]=3 12023 B17R2.496 Cc1ccccc1NCc2ccc(cc2)I 207a_100015192222_100000188517 [0,2,0,0,0,0|1,0,0]=3 12024 B17R2.496 Cc1ccccc1NCc2ccc(cc2)I 270302a_100015192222_100000188517 [0,2,0,0,0,0|1,0,0]=3 12025 B17R2.496 Cc1ccccc1NCc2ccc(cc2)I 34a_100015192222_100000189116 [0,2,0,0,0,0|1,0,0]=3 12026 B17R2.496 Cc1ccccc1NCc2ccc(cn2)Br 207a_100015192222_100000754260 [0,2,0,0,0,0|2,0,0]=4 12027 B17R2.496 Cc1ccccc1NCc2ccc(cn2)Br 270302a_100015192222_100000754260 [0,2,0,0,0,0|2,0,0]=4 12028 B17R2.496 Cc1ccccc1NCc2ccc(cn2)Br 34a_100015192222_100000702658 [0,2,0,0,0,0|2,0,0]=4 12029 B17R2.496 Cc1ccccc1NCc2ccc(cn2)Cl 207a_100015192222_100011361569 [0,2,0,0,0,0|2,0,0]=4 12030 B17R2.496 Cc1ccccc1NCc2ccc(cn2)Cl 270302a_100015192222_100011361569 [0,2,0,0,0,0|2,0,0]=4 12031 B17R2.496 Cc1ccccc1NCc2ccc(cn2)Cl 34a_100015192222_100012066911 [0,2,0,0,0,0|2,0,0]=4 12032 B17R2.496 Cc1ccccc1NCc2ccc(cn2)F 207a_100015192222_100011934744 [0,2,0,0,0,0|2,0,0]=4 12033 B17R2.496 Cc1ccccc1NCc2ccc(cn2)F 34a_100015192222_100000703193 [0,2,0,0,0,0|2,0,0]=4 12034 B17R2.496 Cc1ccccc1NCc2ccc(nc2)Br 34a_100015192222_100009831999 [0,2,0,0,0,0|0,0,0]=2 12035 B17R2.496 Cc1ccccc1NCc2ccc(nc2)Cl 270302a_100015192222_100000766901 [0,2,0,0,0,0|0,0,0]=2 12036 B17R2.496 Cc1ccccc1NCc2ccc(nc2)Cl 34a_100015192222_100000735431 [0,2,0,0,0,0|0,0,0]=2 12037 B17R2.496 Cc1ccccc1NCc2ccc(nc2)F 270302a_100015192222_100000068566 [0,2,0,0,0,0|0,0,0]=2 12038 B17R2.496 Cc1ccccc1NCc2ccc(nc2)F 34a_100015192222_100000099788 [0,2,0,0,0,0|0,0,0]=2 12039 B17R2.496 Cc1ccccc1NCc2ccc(nc2)O 207a_100015192222_100011361521 [0,2,0,0,0,0|0,0,0]=2 12040 B17R2.496 Cc1ccccc1NCc2ccc(nc2)O 270302a_100015192222_100011361521 [0,2,0,0,0,0|0,0,0]=2 12041 B17R2.496 Cc1ccccc1NCc2ccc(nn2)Cl 34a_100015192222_100016992710 [0,2,0,0,0,0|1,0,0]=3 12042 B17R2.496 Cc1ccccc1OCc2ccc(cc2)Br 34a_100000210338_100000189115 [0,2,0,0,0,0|2,0,0]=4 12043 B17R2.496 Cc1ccccc1OCc2ccc(cc2)Br 7a_100000210338_100011217064 [0,2,0,0,0,0|2,0,0]=4 12044 B17R2.496 Cc1ccccc1OCc2ccc(cc2)Cl 34a_100000210338_100000694040 [0,2,0,0,0,0|2,0,0]=4 12045 B17R2.496 Cc1ccccc1OCc2ccc(cc2)Cl 7a_100000210338_100000187161 [0,2,0,0,0,0|2,0,0]=4 12046 B17R2.496 Cc1ccccc1OCc2ccc(cc2)F 34a_100000210338_100000198546 [0,2,0,0,0,0|2,0,0]=4 12047 B17R2.496 Cc1ccccc1OCc2ccc(cc2)F 7a_100000210338_100000198546 [0,2,0,0,0,0|2,0,0]=4 12048 B17R2.496 Cc1ccccc1OCc2ccc(cc2)I 34a_100000210338_100000189116 [0,2,0,0,0,0|2,0,0]=4 12049 B17R2.496 Cc1ccccc1OCc2ccc(cc2)I 7a_100000210338_100000189116 [0,2,0,0,0,0|2,0,0]=4 12050 B17R2.496 Cc1ccccc1OCc2ccc(nc2)Br 34a_100000210338_100009831999 [0,2,0,0,0,0|1,0,0]=3 12051 B17R2.496 Cc1ccccc1OCc2ccc(nc2)Br 7a_100000210338_100009831999 [0,2,0,0,0,0|1,0,0]=3 12052 B17R2.496 Cc1ccccc1OCc2ccc(nc2)Cl 34a_100000210338_100000735431 [0,2,0,0,0,0|1,0,0]=3 12053 B17R2.496 Cc1ccccc1OCc2ccc(nc2)Cl 7a_100000210338_100000735431 [0,2,0,0,0,0|1,0,0]=3 12054 B17R2.496 Cc1ccccc1OCc2ccc(nc2)F 34a_100000210338_100000099788 [0,2,0,0,0,0|1,0,0]=3 12055 B17R2.496 Cc1ccccc1OCc2ccc(nc2)F 7a_100000210338_100009820150 [0,2,0,0,0,0|1,0,0]=3 12056 B17R2.496 Cc1ccccc1OCc2ccc(nn2)Cl 34a_100000210338_100016992710 [0,2,0,0,0,0|2,0,0]=4 12057 B17R2.496 Cc1ccccc1OCc2ccc(nn2)Cl 7a_100000210338_100016992710 [0,2,0,0,0,0|2,0,0]=4 12058 B17R2.496 Cc1ccccc1SCc2ccc(cc2)Br 62a_100000189115_100000210755 [0,2,0,0,0,0|2,0,0]=4 12059 B17R2.496 Cc1ccccc1SCc2ccc(cc2)Br 62a_100000210755_100000189115 [0,2,0,0,0,0|2,0,0]=4 12060 B17R2.496 Cc1ccccc1SCc2ccc(cc2)Cl 62a_100000187161_100000210755 [0,2,0,0,0,0|2,0,0]=4 12061 B17R2.496 Cc1ccccc1SCc2ccc(cc2)Cl 62a_100000210755_100000187161 [0,2,0,0,0,0|2,0,0]=4 12062 B17R2.496 Cc1ccccc1SCc2ccc(cc2)F 62a_100000198546_100000210755 [0,2,0,0,0,0|2,0,0]=4 12063 B17R2.496 Cc1ccccc1SCc2ccc(cc2)F 62a_100000210755_100000187164 [0,2,0,0,0,0|2,0,0]=4 12064 B17R2.496 Cc1ccccc1SCc2ccc(cc2)I 62a_100000189116_100000210755 [0,2,0,0,0,0|2,0,0]=4 12065 B17R2.496 Cc1ccccc1SCc2ccc(cc2)I 62a_100000210755_100000189116 [0,2,0,0,0,0|2,0,0]=4 12066 B17R2.496 Cc1ccccc1SCc2ccc(nc2)Br 62a_100000210755_100009831999 [0,2,0,0,0,0|1,0,0]=3 12067 B17R2.496 Cc1ccccc1SCc2ccc(nc2)Br 62a_100009831999_100000210755 [0,2,0,0,0,0|1,0,0]=3 12068 B17R2.496 Cc1ccccc1SCc2ccc(nc2)Cl 62a_100000210755_100000735431 [0,2,0,0,0,0|1,0,0]=3 12069 B17R2.496 Cc1ccccc1SCc2ccc(nc2)Cl 62a_100000735431_100000210755 [0,2,0,0,0,0|1,0,0]=3 12070 B17R2.496 Cc1ccccc1SCc2ccc(nc2)F 62a_100000210755_100000099788 [0,2,0,0,0,0|1,0,0]=3 12071 B17R2.496 Cc1ccccc1SCc2ccc(nc2)F 62a_100009820150_100000210755 [0,2,0,0,0,0|1,0,0]=3 12072 B17R2.496 Cc1ccccc1SCc2ccc(nn2)Cl 62a_100000210755_100016992710 [0,2,0,0,0,0|2,0,0]=4 12073 B17R2.496 Cc1ccccc1SCc2ccc(nn2)Cl 62a_100016992710_100000210755 [0,2,0,0,0,0|2,0,0]=4 12074 B17R2.496 Cc1cccnc1CNc2ccc(cc2)Br 207a_100000210018_100000698913 [0,2,0,0,0,0|2,0,0]=4 12075 B17R2.496 Cc1cccnc1CNc2ccc(cc2)Br 2230a_100000210018_100000696600 [0,2,0,0,0,0|2,0,0]=4 12076 B17R2.496 Cc1cccnc1CNc2ccc(cc2)Br 34a_100000210018_100000696600 [0,2,0,0,0,0|2,0,0]=4 12077 B17R2.496 Cc1cccnc1CNc2ccc(cc2)Cl 207a_100000210052_100000698913 [0,2,0,0,0,0|2,0,0]=4 12078 B17R2.496 Cc1cccnc1CNc2ccc(cc2)Cl 2230a_100000210052_100000696600 [0,2,0,0,0,0|2,0,0]=4 12079 B17R2.496 Cc1cccnc1CNc2ccc(cc2)Cl 34a_100000210052_100000696600 [0,2,0,0,0,0|2,0,0]=4 12080 B17R2.496 Cc1cccnc1CNc2ccc(cc2)F 207a_100000185862_100000698913 [0,2,0,0,0,0|2,0,0]=4 12081 B17R2.496 Cc1cccnc1CNc2ccc(cc2)F 34a_100000185862_100000696600 [0,2,0,0,0,0|2,0,0]=4 12082 B17R2.496 Cc1cccnc1CNc2ccc(cc2)I 207a_100000185761_100000698913 [0,2,0,0,0,0|2,0,0]=4 12083 B17R2.496 Cc1cccnc1CNc2ccc(cc2)I 34a_100000185761_100000696600 [0,2,0,0,0,0|2,0,0]=4 12084 B17R2.496 Cc1cccnc1CNc2ccc(cc2)O 34a_100000185829_100000696600 [0,2,0,0,0,0|2,0,0]=4 12085 B17R2.496 Cc1cccnc1SCc2ccc(nc2)Br 62a_100000751373_100009831999 [0,2,0,0,0,0|2,0,0]=4 12086 B17R2.496 Cc1cccnc1SCc2ccc(nc2)Br 62a_100009831999_100000751373 [0,2,0,0,0,0|2,0,0]=4 12087 B17R2.496 Cc1cccnc1SCc2ccc(nc2)Cl 62a_100000735431_100000751373 [0,2,0,0,0,0|2,0,0]=4 12088 B17R2.496 Cc1cccnc1SCc2ccc(nc2)Cl 62a_100000751373_100000735431 [0,2,0,0,0,0|2,0,0]=4 12089 B17R2.496 Cc1cccnc1SCc2ccc(nc2)F 62a_100000751373_100000099788 [0,2,0,0,0,0|2,0,0]=4 12090 B17R2.496 Cc1cccnc1SCc2ccc(nc2)F 62a_100009820150_100000751373 [0,2,0,0,0,0|2,0,0]=4 12091 B17R2.496 Cc1ccncc1C=Cc2ccc(cc2)Br 271570a_100102527914_100000761580 [0,2,0,0,0,0|1,0,1]=4 12092 B17R2.496 Cc1ccncc1C=Cc2ccc(cc2)Cl 271570a_100102527930_100000761580 [0,2,0,0,0,0|1,0,1]=4 12093 B17R2.496 Cc1ccncc1C=Cc2ccc(cc2)F 271570a_100102525539_100000761580 [0,2,0,0,0,0|1,0,1]=4 12094 B17R2.496 Cc1ccncc1CNc2ccc(cc2)Br 207a_100000210018_100000685662 [0,2,0,0,0,0|0,0,0]=2 12095 B17R2.496 Cc1ccncc1CNc2ccc(cc2)Br 2230a_100000210018_100000690890 [0,2,0,0,0,0|0,0,0]=2 12096 B17R2.496 Cc1ccncc1CNc2ccc(cc2)Br 34a_100000210018_100000690890 [0,2,0,0,0,0|0,0,0]=2 12097 B17R2.496 Cc1ccncc1CNc2ccc(cc2)Cl 207a_100000210052_100000685662 [0,2,0,0,0,0|0,0,0]=2 12098 B17R2.496 Cc1ccncc1CNc2ccc(cc2)Cl 2230a_100000210052_100000690890 [0,2,0,0,0,0|0,0,0]=2 12099 B17R2.496 Cc1ccncc1CNc2ccc(cc2)Cl 34a_100000210052_100000690890 [0,2,0,0,0,0|0,0,0]=2 12100 B17R2.496 Cc1ccncc1CNc2ccc(cc2)F 207a_100000185862_100000685662 [0,2,0,0,0,0|0,0,0]=2 12101 B17R2.496 Cc1ccncc1CNc2ccc(cc2)F 34a_100000185862_100000690890 [0,2,0,0,0,0|0,0,0]=2 12102 B17R2.496 Cc1ccncc1CNc2ccc(cc2)I 207a_100000185761_100000685662 [0,2,0,0,0,0|0,0,0]=2 12103 B17R2.496 Cc1ccncc1CNc2ccc(cc2)I 34a_100000185761_100000690890 [0,2,0,0,0,0|0,0,0]=2 12104 B17R2.496 Cc1ccncc1CNc2ccc(cc2)O 34a_100000185829_100000690890 [0,2,0,0,0,0|0,0,0]=2 12105 B17R2.496 Cc1ccncc1CNc2ccc(cn2)Br 27a_100011997553_100000686858 [0,2,0,0,0,0|1,0,0]=3 12106 B17R2.496 Cc1ccncc1CNc2cnc(cn2)Br 27a_100011997553_100010187541 [0,2,0,0,0,0|2,0,0]=4 12107 B17R2.496 Cc1ccncc1CNc2cnc(cn2)F 27a_100011997553_100009856528 [0,2,0,0,0,0|2,0,0]=4 12108 B17R2.496 Cc1ccncc1CNc2ncc(cn2)Br 27a_100011997553_100000690281 [0,2,0,0,0,0|2,0,0]=4 12109 B17R2.496 Cc1ccncc1CNc2ncc(cn2)Cl 27a_100011997553_100011356929 [0,2,0,0,0,0|2,0,0]=4 12110 B17R2.496 Cc1ccncc1CNc2ncc(cn2)F 27a_100011997553_100000685220 [0,2,0,0,0,0|2,0,0]=4 12111 B17R2.496 Cc1ccncc1COc2ccc(=O)[nH]c2 34a_100000075641_100000690890 [0,2,0,0,0,0|2,0,0]=4 12112 B17R2.496 Cc1ccncc1COc2ccc(cc2)Br 34a_100000185759_100000690890 [0,2,0,0,0,0|1,0,0]=3 12113 B17R2.496 Cc1ccncc1COc2ccc(cc2)Br 7a_100000185759_100000690890 [0,2,0,0,0,0|1,0,0]=3 12114 B17R2.496 Cc1ccncc1COc2ccc(cc2)Cl 34a_100000210216_100000690890 [0,2,0,0,0,0|1,0,0]=3 12115 B17R2.496 Cc1ccncc1COc2ccc(cc2)Cl 7a_100000210216_100000690890 [0,2,0,0,0,0|1,0,0]=3 12116 B17R2.496 Cc1ccncc1COc2ccc(cc2)F 34a_100000210339_100000690890 [0,2,0,0,0,0|1,0,0]=3 12117 B17R2.496 Cc1ccncc1COc2ccc(cc2)I 34a_100000212066_100000690890 [0,2,0,0,0,0|1,0,0]=3 12118 B17R2.496 Cc1ccncc1COc2ccc(cc2)I 7a_100000212066_100000690890 [0,2,0,0,0,0|1,0,0]=3 12119 B17R2.496 Cc1ccncc1COc2ccc(cc2)N 34a_100000185829_100000690890 [0,2,0,0,0,0|1,0,0]=3 12120 B17R2.496 Cc1ccncc1COc2ccc(cn2)Cl 34a_100011215309_100000690890 [0,2,0,0,0,0|2,0,0]=4 12121 B17R2.496 Cc1ccncc1COc2ccc(cn2)F 34a_100000742473_100000690890 [0,2,0,0,0,0|2,0,0]=4 12122 B17R2.496 Cc1ccncc1COc2ccc(cn2)N 34a_100000729260_100000690890 [0,2,0,0,0,0|2,0,0]=4 12123 B17R2.496 Cc1ccncc1COc2ccc(nc2)Br 34a_100000685995_100000690890 [0,2,0,0,0,0|2,0,0]=4 12124 B17R2.496 Cc1ccncc1COc2ccc(nc2)Br 7a_100000685995_100000690890 [0,2,0,0,0,0|2,0,0]=4 12125 B17R2.496 Cc1ccncc1COc2ccc(nc2)Cl 34a_100000744096_100000690890 [0,2,0,0,0,0|2,0,0]=4 12126 B17R2.496 Cc1ccncc1COc2ccc(nc2)Cl 7a_100000744096_100000690890 [0,2,0,0,0,0|2,0,0]=4 12127 B17R2.496 Cc1ccncc1COc2ccc(nc2)F 34a_100000688820_100000690890 [0,2,0,0,0,0|2,0,0]=4 12128 B17R2.496 Cc1ccncc1COc2ccc(nc2)F 7a_100000688820_100000690890 [0,2,0,0,0,0|2,0,0]=4 12129 B17R2.496 Cc1ccncc1COc2ccc(nc2)I 34a_100000687607_100000690890 [0,2,0,0,0,0|2,0,0]=4 12130 B17R2.496 Cc1ccncc1COc2ccc(nc2)I 7a_100000687607_100000690890 [0,2,0,0,0,0|2,0,0]=4 12131 B17R2.496 Cc1ccncc1COc2ccc(nc2)N 34a_100015188713_100000690890 [0,2,0,0,0,0|2,0,0]=4 12132 B17R2.496 Cc1ccncc1COc2ccc(nc2)N 7a_100015188713_100000690890 [0,2,0,0,0,0|2,0,0]=4 12133 B17R2.496 Cc1ccncc1CSc2cc[n+](cc2)[O-] 62a_100000690890_100000039755 [0,2,0,0,0,0|2,0,0]=4 12134 B17R2.496 Cc1ccncc1CSc2ccc(=O)[nH]c2 62a_100000212171_100000690890 [0,2,0,0,0,0|2,0,0]=4 12135 B17R2.496 Cc1ccncc1CSc2ccc(=O)[nH]c2 62a_100000690890_100000212171 [0,2,0,0,0,0|2,0,0]=4 12136 B17R2.496 Cc1ccncc1CSc2ccc(cc2)Br 62a_100000690890_100000752885 [0,2,0,0,0,0|1,0,0]=3 12137 B17R2.496 Cc1ccncc1CSc2ccc(cc2)Br 62a_100000752885_100000690890 [0,2,0,0,0,0|1,0,0]=3 12138 B17R2.496 Cc1ccncc1CSc2ccc(cc2)Cl 62a_100000690890_100000755918 [0,2,0,0,0,0|1,0,0]=3 12139 B17R2.496 Cc1ccncc1CSc2ccc(cc2)Cl 62a_100000755918_100000690890 [0,2,0,0,0,0|1,0,0]=3 12140 B17R2.496 Cc1ccncc1CSc2ccc(cc2)F 62a_100000211213_100000690890 [0,2,0,0,0,0|1,0,0]=3 12141 B17R2.496 Cc1ccncc1CSc2ccc(cc2)F 62a_100000690890_100000211213 [0,2,0,0,0,0|1,0,0]=3 12142 B17R2.496 Cc1ccncc1CSc2ccc(cc2)N 62a_100000185761_100000690890 [0,2,0,0,0,0|1,0,0]=3 12143 B17R2.496 Cc1ccncc1CSc2ccc(cc2)N 62a_100000690890_100000185761 [0,2,0,0,0,0|1,0,0]=3 12144 B17R2.496 Cc1ccncc1CSc2ccc(cc2)O 62a_100000690890_100000185759 [0,2,0,0,0,0|1,0,0]=3 12145 B17R2.496 Cc1ccncc1CSc2ccc(cn2)Br 62a_100000686858_100000690890 [0,2,0,0,0,0|2,0,0]=4 12146 B17R2.496 Cc1ccncc1CSc2ccc(cn2)Br 62a_100000690890_100000686858 [0,2,0,0,0,0|2,0,0]=4 12147 B17R2.496 Cc1ccncc1CSc2ccc(cn2)Cl 62a_100000690890_100011356976 [0,2,0,0,0,0|2,0,0]=4 12148 B17R2.496 Cc1ccncc1CSc2ccc(cn2)Cl 62a_100011356976_100000690890 [0,2,0,0,0,0|2,0,0]=4 12149 B17R2.496 Cc1ccncc1CSc2ccc(cn2)F 62a_100000690890_100000744514 [0,2,0,0,0,0|2,0,0]=4 12150 B17R2.496 Cc1ccncc1CSc2ccc(cn2)F 62a_100000744514_100000690890 [0,2,0,0,0,0|2,0,0]=4 12151 B17R2.496 Cc1ccncc1CSc2ccc(cn2)N 62a_100000690890_100000737798 [0,2,0,0,0,0|2,0,0]=4 12152 B17R2.496 Cc1ccncc1CSc2ccc(cn2)N 62a_100000737798_100000690890 [0,2,0,0,0,0|2,0,0]=4 12153 B17R2.496 Cc1ccncc1CSc2ccc(cn2)O 62a_100000685995_100000690890 [0,2,0,0,0,0|2,0,0]=4 12154 B17R2.496 Cc1ccncc1CSc2ccc(cn2)O 62a_100000690890_100000744096 [0,2,0,0,0,0|2,0,0]=4 12155 B17R2.496 Cc1ccncc1CSc2ccc(nc2)Br 62a_100000690890_100009814638 [0,2,0,0,0,0|2,0,0]=4 12156 B17R2.496 Cc1ccncc1CSc2ccc(nc2)Br 62a_100009814638_100000690890 [0,2,0,0,0,0|2,0,0]=4 12157 B17R2.496 Cc1ccncc1CSc2ccc(nc2)Cl 62a_100000034144_100000690890 [0,2,0,0,0,0|2,0,0]=4 12158 B17R2.496 Cc1ccncc1CSc2ccc(nc2)Cl 62a_100000690890_100000034144 [0,2,0,0,0,0|2,0,0]=4 12159 B17R2.496 Cc1ccncc1CSc2ccc(nc2)F 62a_100000042367_100000690890 [0,2,0,0,0,0|2,0,0]=4 12160 B17R2.496 Cc1ccncc1CSc2ccc(nc2)F 62a_100000690890_100000042367 [0,2,0,0,0,0|2,0,0]=4 12161 B17R2.496 Cc1ccncc1CSc2ccc(nc2)N 62a_100000187370_100000690890 [0,2,0,0,0,0|2,0,0]=4 12162 B17R2.496 Cc1ccncc1CSc2ccc(nc2)N 62a_100000690890_100000187370 [0,2,0,0,0,0|2,0,0]=4 12163 B17R2.496 Cc1ccncc1OCc2ccc(cc2)Br 34a_100011997053_100000189115 [0,2,0,0,0,0|2,0,0]=4 12164 B17R2.496 Cc1ccncc1OCc2ccc(cc2)Br 7a_100011997053_100011217064 [0,2,0,0,0,0|2,0,0]=4 12165 B17R2.496 Cc1ccncc1OCc2ccc(cc2)Cl 34a_100011997053_100000694040 [0,2,0,0,0,0|2,0,0]=4 12166 B17R2.496 Cc1ccncc1OCc2ccc(cc2)Cl 7a_100011997053_100000187161 [0,2,0,0,0,0|2,0,0]=4 12167 B17R2.496 Cc1ccncc1OCc2ccc(cc2)F 34a_100011997053_100000198546 [0,2,0,0,0,0|2,0,0]=4 12168 B17R2.496 Cc1ccncc1OCc2ccc(cc2)F 7a_100011997053_100000198546 [0,2,0,0,0,0|2,0,0]=4 12169 B17R2.496 Cc1ccncc1OCc2ccc(cc2)I 34a_100011997053_100000189116 [0,2,0,0,0,0|2,0,0]=4 12170 B17R2.496 Cc1ccncc1OCc2ccc(cc2)I 7a_100011997053_100000189116 [0,2,0,0,0,0|2,0,0]=4 12171 B17R2.496 Cc1ccncc1OCc2ccc(nc2)Br 34a_100011997053_100009831999 [0,2,0,0,0,0|2,0,0]=4 12172 B17R2.496 Cc1ccncc1OCc2ccc(nc2)Br 7a_100011997053_100009831999 [0,2,0,0,0,0|2,0,0]=4 12173 B17R2.496 Cc1ccncc1OCc2ccc(nc2)Cl 34a_100011997053_100000735431 [0,2,0,0,0,0|2,0,0]=4 12174 B17R2.496 Cc1ccncc1OCc2ccc(nc2)Cl 7a_100011997053_100000735431 [0,2,0,0,0,0|2,0,0]=4 12175 B17R2.496 Cc1ccncc1OCc2ccc(nc2)F 34a_100011997053_100000099788 [0,2,0,0,0,0|2,0,0]=4 12176 B17R2.496 Cc1ccncc1OCc2ccc(nc2)F 7a_100011997053_100009820150 [0,2,0,0,0,0|2,0,0]=4 12177 B17R2.496 Cc1ccncc1SCc2ccc(cc2)Br 62a_100000189115_100000761580 [0,2,0,0,0,0|2,0,0]=4 12178 B17R2.496 Cc1ccncc1SCc2ccc(cc2)Br 62a_100000761580_100000189115 [0,2,0,0,0,0|2,0,0]=4 12179 B17R2.496 Cc1ccncc1SCc2ccc(cc2)Cl 62a_100000187161_100000761580 [0,2,0,0,0,0|2,0,0]=4 12180 B17R2.496 Cc1ccncc1SCc2ccc(cc2)Cl 62a_100000761580_100000187161 [0,2,0,0,0,0|2,0,0]=4 12181 B17R2.496 Cc1ccncc1SCc2ccc(cc2)F 62a_100000198546_100000761580 [0,2,0,0,0,0|2,0,0]=4 12182 B17R2.496 Cc1ccncc1SCc2ccc(cc2)F 62a_100000761580_100000187164 [0,2,0,0,0,0|2,0,0]=4 12183 B17R2.496 Cc1ccncc1SCc2ccc(cc2)I 62a_100000189116_100000761580 [0,2,0,0,0,0|2,0,0]=4 12184 B17R2.496 Cc1ccncc1SCc2ccc(cc2)I 62a_100000761580_100000189116 [0,2,0,0,0,0|2,0,0]=4 12185 B17R2.496 Cc1ccncc1SCc2ccc(nc2)Br 62a_100000761580_100009831999 [0,2,0,0,0,0|2,0,0]=4 12186 B17R2.496 Cc1ccncc1SCc2ccc(nc2)Br 62a_100009831999_100000761580 [0,2,0,0,0,0|2,0,0]=4 12187 B17R2.496 Cc1ccncc1SCc2ccc(nc2)Cl 62a_100000735431_100000761580 [0,2,0,0,0,0|2,0,0]=4 12188 B17R2.496 Cc1ccncc1SCc2ccc(nc2)Cl 62a_100000761580_100000735431 [0,2,0,0,0,0|2,0,0]=4 12189 B17R2.496 Cc1ccncc1SCc2ccc(nc2)F 62a_100000761580_100000099788 [0,2,0,0,0,0|2,0,0]=4 12190 B17R2.496 Cc1ccncc1SCc2ccc(nc2)F 62a_100009820150_100000761580 [0,2,0,0,0,0|2,0,0]=4 12191 B17R2.496 Cc1ccnnc1NCc2ccc(nc2)Br 27a_100009817727_100000089043 [0,2,0,0,0,0|2,0,0]=4 12192 B17R2.496 Cc1ccnnc1NCc2ccc(nc2)Cl 27a_100000735879_100000089043 [0,2,0,0,0,0|2,0,0]=4 12193 B17R2.496 Cc1ccnnc1NCc2ccc(nc2)F 27a_100000101913_100000089043 [0,2,0,0,0,0|2,0,0]=4 12194 B17R2.496 Cc1ccnnc1NCc2ccc(nc2)O 27a_100000757128_100000089043 [0,2,0,0,0,0|2,0,0]=4 12195 B17R2.496 Cc1cnc(cn1)CNc2ccncc2Br 27a_100132314150_100000726257 [0,2,0,0,0,0|2,0,0]=4 12196 B17R2.496 Cc1cnc(cn1)CNc2ccncc2C 27a_100132314150_100000765111 [0,2,0,0,0,0|2,0,0]=4 12197 B17R2.496 Cc1cnc(cn1)CNc2ccncc2F 27a_100132314150_100000035921 [0,2,0,0,0,0|2,0,0]=4 12198 B17R2.496 Cc1cnc(cn1)CNc2ncccc2Br 27a_100132314150_100000696092 [0,2,0,0,0,0|2,0,0]=4 12199 B17R2.496 Cc1cnc(cn1)COc2ccccc2Br 7a_100000181306_100000752025 [0,2,0,0,0,0|2,0,0]=4 12200 B17R2.496 Cc1cnc(cn1)COc2ccccc2C 7a_100000210338_100000752025 [0,2,0,0,0,0|2,0,0]=4 12201 B17R2.496 Cc1cnc(cn1)COc2ccccc2Cl 7a_100000210172_100000752025 [0,2,0,0,0,0|2,0,0]=4 12202 B17R2.496 Cc1cnc(cn1)COc2ccccc2F 7a_100000210171_100000752025 [0,2,0,0,0,0|2,0,0]=4 12203 B17R2.496 Cc1cnc(cn1)COc2ccccc2I 7a_100000739446_100000752025 [0,2,0,0,0,0|2,0,0]=4 12204 B17R2.496 Cc1cnc(cn1)COc2ccccc2N 7a_100000185747_100000752025 [0,2,0,0,0,0|2,0,0]=4 12205 B17R2.496 Cc1cnc(cn1)CSc2ccccc2Br 62a_100000695589_100000752025 [0,2,0,0,0,0|2,0,0]=4 12206 B17R2.496 Cc1cnc(cn1)CSc2ccccc2Br 62a_100000752025_100000695589 [0,2,0,0,0,0|2,0,0]=4 12207 B17R2.496 Cc1cnc(cn1)CSc2ccccc2C 62a_100000210755_100000752025 [0,2,0,0,0,0|2,0,0]=4 12208 B17R2.496 Cc1cnc(cn1)CSc2ccccc2C 62a_100000752025_100000210755 [0,2,0,0,0,0|2,0,0]=4 12209 B17R2.496 Cc1cnc(cn1)CSc2ccccc2Cl 62a_100000752025_100000764095 [0,2,0,0,0,0|2,0,0]=4 12210 B17R2.496 Cc1cnc(cn1)CSc2ccccc2Cl 62a_100000764095_100000752025 [0,2,0,0,0,0|2,0,0]=4 12211 B17R2.496 Cc1cnc(cn1)CSc2ccccc2F 62a_100000752025_100011215700 [0,2,0,0,0,0|2,0,0]=4 12212 B17R2.496 Cc1cnc(cn1)CSc2ccccc2F 62a_100011215700_100000752025 [0,2,0,0,0,0|2,0,0]=4 12213 B17R2.496 Cc1cnc(cn1)CSc2ccccc2N 62a_100000210017_100000752025 [0,2,0,0,0,0|2,0,0]=4 12214 B17R2.496 Cc1cnc(cn1)CSc2ccccc2N 62a_100000752025_100000210017 [0,2,0,0,0,0|2,0,0]=4 12215 B17R2.496 Cc1cnc(cn1)CSc2ccccc2O 62a_100000739446_100000752025 [0,2,0,0,0,0|2,0,0]=4 12216 B17R2.496 Cc1cnc(cn1)CSc2ccccc2O 62a_100000752025_100000739446 [0,2,0,0,0,0|2,0,0]=4 12217 B17R2.496 Cc1cnc(cn1)NCc2cccnc2Br 27a_100009818023_100000074397 [0,2,0,0,0,0|2,0,0]=4 12218 B17R2.496 Cc1cnc(cn1)NCc2cccnc2Cl 27a_100015189234_100000074397 [0,2,0,0,0,0|2,0,0]=4 12219 B17R2.496 Cc1cnc(cn1)NCc2cccnc2F 27a_100000724633_100000074397 [0,2,0,0,0,0|2,0,0]=4 12220 B17R2.496 Cc1cnc(cn1)NCc2cnccc2C 27a_100011997553_100000074397 [0,2,0,0,0,0|2,0,0]=4 12221 B17R2.496 Cc1cnc(nc1)NCc2cccnc2Br 27a_100009818023_100000061069 [0,2,0,0,0,0|2,0,0]=4 12222 B17R2.496 Cc1cnc(nc1)NCc2cccnc2Cl 27a_100015189234_100000061069 [0,2,0,0,0,0|2,0,0]=4 12223 B17R2.496 Cc1cnc(nc1)NCc2cccnc2F 27a_100000724633_100000061069 [0,2,0,0,0,0|2,0,0]=4 12224 B17R2.496 Cc1cnc(nc1)NCc2cnccc2C 27a_100011997553_100000061069 [0,2,0,0,0,0|2,0,0]=4 12225 B17R2.496 Cc1cnccc1CNc2ccc(cc2)Br 2230a_100000210018_100020672808 [0,2,0,0,0,0|2,0,0]=4 12226 B17R2.496 Cc1cnccc1CNc2ccc(cc2)Br 34a_100000210018_100020672809 [0,2,0,0,0,0|2,0,0]=4 12227 B17R2.496 Cc1cnccc1CNc2ccc(cc2)Cl 2230a_100000210052_100020672808 [0,2,0,0,0,0|2,0,0]=4 12228 B17R2.496 Cc1cnccc1CNc2ccc(cc2)Cl 34a_100000210052_100020672809 [0,2,0,0,0,0|2,0,0]=4 12229 B17R2.496 Cc1cnccc1CNc2ccc(cc2)F 34a_100000185862_100020672809 [0,2,0,0,0,0|2,0,0]=4 12230 B17R2.496 Cc1cnccc1CNc2ccc(cc2)I 34a_100000185761_100020672809 [0,2,0,0,0,0|2,0,0]=4 12231 B17R2.496 Cc1cnccc1CNc2ccc(cc2)O 34a_100000185829_100020672809 [0,2,0,0,0,0|2,0,0]=4 12232 B17R2.496 Cc1cnccc1NCc2ccc(cc2)Br 27a_100000174875_100000765111 [0,2,0,0,0,0|2,0,0]=4 12233 B17R2.496 Cc1cnccc1NCc2ccc(cc2)Cl 27a_100000174871_100000765111 [0,2,0,0,0,0|2,0,0]=4 12234 B17R2.496 Cc1cnccc1NCc2ccc(cc2)F 27a_100000174882_100000765111 [0,2,0,0,0,0|2,0,0]=4 12235 B17R2.496 Cc1cnccc1NCc2ccc(cc2)I 27a_100016989417_100000765111 [0,2,0,0,0,0|2,0,0]=4 12236 B17R2.496 Cc1cnccc1NCc2ccc(cc2)O 27a_100000185549_100000765111 [0,2,0,0,0,0|2,0,0]=4 12237 B17R2.496 Cc1cnccc1NCc2ccc(nc2)Br 27a_100009817727_100000765111 [0,2,0,0,0,0|1,0,0]=3 12238 B17R2.496 Cc1cnccc1NCc2ccc(nc2)Cl 27a_100000735879_100000765111 [0,2,0,0,0,0|1,0,0]=3 12239 B17R2.496 Cc1cnccc1NCc2ccc(nc2)F 27a_100000101913_100000765111 [0,2,0,0,0,0|1,0,0]=3 12240 B17R2.496 Cc1cnccc1NCc2ccc(nc2)O 27a_100000757128_100000765111 [0,2,0,0,0,0|1,0,0]=3 12241 B17R2.496 Cc1cnccc1OCc2ccc(nc2)Br 34a_100000694293_100009831999 [0,2,0,0,0,0|2,0,0]=4 12242 B17R2.496 Cc1cnccc1OCc2ccc(nc2)Cl 34a_100000694293_100000735431 [0,2,0,0,0,0|2,0,0]=4 12243 B17R2.496 Cc1cnccc1OCc2ccc(nc2)F 34a_100000694293_100000099788 [0,2,0,0,0,0|2,0,0]=4 12244 B17R2.496 Cc1cnccc1SCc2ccc(nc2)Br 62a_100000765111_100009831999 [0,2,0,0,0,0|2,0,0]=4 12245 B17R2.496 Cc1cnccc1SCc2ccc(nc2)Br 62a_100009831999_100000765111 [0,2,0,0,0,0|2,0,0]=4 12246 B17R2.496 Cc1cnccc1SCc2ccc(nc2)Cl 62a_100000735431_100000765111 [0,2,0,0,0,0|2,0,0]=4 12247 B17R2.496 Cc1cnccc1SCc2ccc(nc2)Cl 62a_100000765111_100000735431 [0,2,0,0,0,0|2,0,0]=4 12248 B17R2.496 Cc1cnccc1SCc2ccc(nc2)F 62a_100000765111_100000099788 [0,2,0,0,0,0|2,0,0]=4 12249 B17R2.496 Cc1cnccc1SCc2ccc(nc2)F 62a_100009820150_100000765111 [0,2,0,0,0,0|2,0,0]=4 12250 B17R2.496 Cc1cncnc1NCc2ccc(nc2)Br 27a_100009817727_100011998708 [0,2,0,0,0,0|2,0,0]=4 12251 B17R2.496 Cc1cncnc1NCc2ccc(nc2)Cl 27a_100000735879_100011998708 [0,2,0,0,0,0|2,0,0]=4 12252 B17R2.496 Cc1cncnc1NCc2ccc(nc2)F 27a_100000101913_100011998708 [0,2,0,0,0,0|2,0,0]=4 12253 B17R2.496 Cc1cncnc1NCc2ccc(nc2)O 27a_100000757128_100011998708 [0,2,0,0,0,0|2,0,0]=4 12254 B17R2.496 Cc1ncccc1C=Cc2ccc(cc2)Br 271570a_100102527914_100000751574 [0,2,0,0,0,0|1,0,1]=4 12255 B17R2.496 Cc1ncccc1C=Cc2ccc(cc2)Cl 271570a_100102527930_100000751574 [0,2,0,0,0,0|1,0,1]=4 12256 B17R2.496 Cc1ncccc1C=Cc2ccc(cc2)F 271570a_100102525539_100000751574 [0,2,0,0,0,0|1,0,1]=4 12257 B17R2.496 Cc1ncccc1CNc2ccc(cc2)Br 207a_100000210018_100000751968 [0,2,0,0,0,0|0,0,0]=2 12258 B17R2.496 Cc1ncccc1CNc2ccc(cc2)Br 2230a_100000210018_100000732876 [0,2,0,0,0,0|0,0,0]=2 12259 B17R2.496 Cc1ncccc1CNc2ccc(cc2)Br 34a_100000210018_100000732876 [0,2,0,0,0,0|0,0,0]=2 12260 B17R2.496 Cc1ncccc1CNc2ccc(cc2)Cl 207a_100000210052_100000751968 [0,2,0,0,0,0|0,0,0]=2 12261 B17R2.496 Cc1ncccc1CNc2ccc(cc2)Cl 2230a_100000210052_100000732876 [0,2,0,0,0,0|0,0,0]=2 12262 B17R2.496 Cc1ncccc1CNc2ccc(cc2)Cl 34a_100000210052_100000732876 [0,2,0,0,0,0|0,0,0]=2 12263 B17R2.496 Cc1ncccc1CNc2ccc(cc2)F 207a_100000185862_100000751968 [0,2,0,0,0,0|0,0,0]=2 12264 B17R2.496 Cc1ncccc1CNc2ccc(cc2)F 34a_100000185862_100000732876 [0,2,0,0,0,0|0,0,0]=2 12265 B17R2.496 Cc1ncccc1CNc2ccc(cc2)I 207a_100000185761_100000751968 [0,2,0,0,0,0|0,0,0]=2 12266 B17R2.496 Cc1ncccc1CNc2ccc(cc2)I 34a_100000185761_100000732876 [0,2,0,0,0,0|0,0,0]=2 12267 B17R2.496 Cc1ncccc1CNc2ccc(cc2)O 34a_100000185829_100000732876 [0,2,0,0,0,0|0,0,0]=2 12268 B17R2.496 Cc1ncccc1COc2ccc(=O)[nH]c2 34a_100000075641_100000732876 [0,2,0,0,0,0|2,0,0]=4 12269 B17R2.496 Cc1ncccc1COc2ccc(cc2)Br 34a_100000185759_100000732876 [0,2,0,0,0,0|1,0,0]=3 12270 B17R2.496 Cc1ncccc1COc2ccc(cc2)Br 7a_100000185759_100000732876 [0,2,0,0,0,0|1,0,0]=3 12271 B17R2.496 Cc1ncccc1COc2ccc(cc2)Cl 34a_100000210216_100000732876 [0,2,0,0,0,0|1,0,0]=3 12272 B17R2.496 Cc1ncccc1COc2ccc(cc2)Cl 7a_100000210216_100000732876 [0,2,0,0,0,0|1,0,0]=3 12273 B17R2.496 Cc1ncccc1COc2ccc(cc2)F 34a_100000210339_100000732876 [0,2,0,0,0,0|1,0,0]=3 12274 B17R2.496 Cc1ncccc1COc2ccc(cc2)I 34a_100000212066_100000732876 [0,2,0,0,0,0|1,0,0]=3 12275 B17R2.496 Cc1ncccc1COc2ccc(cc2)I 7a_100000212066_100000732876 [0,2,0,0,0,0|1,0,0]=3 12276 B17R2.496 Cc1ncccc1COc2ccc(cc2)N 34a_100000185829_100000732876 [0,2,0,0,0,0|1,0,0]=3 12277 B17R2.496 Cc1ncccc1COc2ccc(cn2)Cl 34a_100011215309_100000732876 [0,2,0,0,0,0|2,0,0]=4 12278 B17R2.496 Cc1ncccc1COc2ccc(cn2)F 34a_100000742473_100000732876 [0,2,0,0,0,0|2,0,0]=4 12279 B17R2.496 Cc1ncccc1COc2ccc(cn2)N 34a_100000729260_100000732876 [0,2,0,0,0,0|2,0,0]=4 12280 B17R2.496 Cc1ncccc1COc2ccc(nc2)Br 34a_100000685995_100000732876 [0,2,0,0,0,0|2,0,0]=4 12281 B17R2.496 Cc1ncccc1COc2ccc(nc2)Br 7a_100000685995_100000732876 [0,2,0,0,0,0|2,0,0]=4 12282 B17R2.496 Cc1ncccc1COc2ccc(nc2)Cl 34a_100000744096_100000732876 [0,2,0,0,0,0|2,0,0]=4 12283 B17R2.496 Cc1ncccc1COc2ccc(nc2)Cl 7a_100000744096_100000732876 [0,2,0,0,0,0|2,0,0]=4 12284 B17R2.496 Cc1ncccc1COc2ccc(nc2)F 34a_100000688820_100000732876 [0,2,0,0,0,0|2,0,0]=4 12285 B17R2.496 Cc1ncccc1COc2ccc(nc2)F 7a_100000688820_100000732876 [0,2,0,0,0,0|2,0,0]=4 12286 B17R2.496 Cc1ncccc1COc2ccc(nc2)I 34a_100000687607_100000732876 [0,2,0,0,0,0|2,0,0]=4 12287 B17R2.496 Cc1ncccc1COc2ccc(nc2)I 7a_100000687607_100000732876 [0,2,0,0,0,0|2,0,0]=4 12288 B17R2.496 Cc1ncccc1COc2ccc(nc2)N 34a_100015188713_100000732876 [0,2,0,0,0,0|2,0,0]=4 12289 B17R2.496 Cc1ncccc1COc2ccc(nc2)N 7a_100015188713_100000732876 [0,2,0,0,0,0|2,0,0]=4 12290 B17R2.496 Cc1ncccc1CSc2cc[n+](cc2)[O-] 62a_100000732876_100000039755 [0,2,0,0,0,0|2,0,0]=4 12291 B17R2.496 Cc1ncccc1CSc2ccc(=O)[nH]c2 62a_100000212171_100000732876 [0,2,0,0,0,0|2,0,0]=4 12292 B17R2.496 Cc1ncccc1CSc2ccc(=O)[nH]c2 62a_100000732876_100000212171 [0,2,0,0,0,0|2,0,0]=4 12293 B17R2.496 Cc1ncccc1CSc2ccc(cc2)Br 62a_100000732876_100000752885 [0,2,0,0,0,0|1,0,0]=3 12294 B17R2.496 Cc1ncccc1CSc2ccc(cc2)Br 62a_100000752885_100000732876 [0,2,0,0,0,0|1,0,0]=3 12295 B17R2.496 Cc1ncccc1CSc2ccc(cc2)Cl 62a_100000732876_100000755918 [0,2,0,0,0,0|1,0,0]=3 12296 B17R2.496 Cc1ncccc1CSc2ccc(cc2)Cl 62a_100000755918_100000732876 [0,2,0,0,0,0|1,0,0]=3 12297 B17R2.496 Cc1ncccc1CSc2ccc(cc2)F 62a_100000211213_100000732876 [0,2,0,0,0,0|1,0,0]=3 12298 B17R2.496 Cc1ncccc1CSc2ccc(cc2)F 62a_100000732876_100000211213 [0,2,0,0,0,0|1,0,0]=3 12299 B17R2.496 Cc1ncccc1CSc2ccc(cc2)N 62a_100000185761_100000732876 [0,2,0,0,0,0|1,0,0]=3 12300 B17R2.496 Cc1ncccc1CSc2ccc(cc2)N 62a_100000732876_100000185761 [0,2,0,0,0,0|1,0,0]=3 12301 B17R2.496 Cc1ncccc1CSc2ccc(cc2)O 62a_100000732876_100000185759 [0,2,0,0,0,0|1,0,0]=3 12302 B17R2.496 Cc1ncccc1CSc2ccc(cn2)Br 62a_100000686858_100000732876 [0,2,0,0,0,0|2,0,0]=4 12303 B17R2.496 Cc1ncccc1CSc2ccc(cn2)Br 62a_100000732876_100000686858 [0,2,0,0,0,0|2,0,0]=4 12304 B17R2.496 Cc1ncccc1CSc2ccc(cn2)Cl 62a_100000732876_100011356976 [0,2,0,0,0,0|2,0,0]=4 12305 B17R2.496 Cc1ncccc1CSc2ccc(cn2)Cl 62a_100011356976_100000732876 [0,2,0,0,0,0|2,0,0]=4 12306 B17R2.496 Cc1ncccc1CSc2ccc(cn2)F 62a_100000732876_100000744514 [0,2,0,0,0,0|2,0,0]=4 12307 B17R2.496 Cc1ncccc1CSc2ccc(cn2)F 62a_100000744514_100000732876 [0,2,0,0,0,0|2,0,0]=4 12308 B17R2.496 Cc1ncccc1CSc2ccc(cn2)N 62a_100000732876_100000737798 [0,2,0,0,0,0|2,0,0]=4 12309 B17R2.496 Cc1ncccc1CSc2ccc(cn2)N 62a_100000737798_100000732876 [0,2,0,0,0,0|2,0,0]=4 12310 B17R2.496 Cc1ncccc1CSc2ccc(cn2)O 62a_100000685995_100000732876 [0,2,0,0,0,0|2,0,0]=4 12311 B17R2.496 Cc1ncccc1CSc2ccc(cn2)O 62a_100000732876_100000744096 [0,2,0,0,0,0|2,0,0]=4 12312 B17R2.496 Cc1ncccc1CSc2ccc(nc2)Br 62a_100000732876_100009814638 [0,2,0,0,0,0|2,0,0]=4 12313 B17R2.496 Cc1ncccc1CSc2ccc(nc2)Br 62a_100009814638_100000732876 [0,2,0,0,0,0|2,0,0]=4 12314 B17R2.496 Cc1ncccc1CSc2ccc(nc2)Cl 62a_100000034144_100000732876 [0,2,0,0,0,0|2,0,0]=4 12315 B17R2.496 Cc1ncccc1CSc2ccc(nc2)Cl 62a_100000732876_100000034144 [0,2,0,0,0,0|2,0,0]=4 12316 B17R2.496 Cc1ncccc1CSc2ccc(nc2)F 62a_100000042367_100000732876 [0,2,0,0,0,0|2,0,0]=4 12317 B17R2.496 Cc1ncccc1CSc2ccc(nc2)F 62a_100000732876_100000042367 [0,2,0,0,0,0|2,0,0]=4 12318 B17R2.496 Cc1ncccc1CSc2ccc(nc2)N 62a_100000187370_100000732876 [0,2,0,0,0,0|2,0,0]=4 12319 B17R2.496 Cc1ncccc1CSc2ccc(nc2)N 62a_100000732876_100000187370 [0,2,0,0,0,0|2,0,0]=4 12320 B17R2.496 Cc1ncccc1OCc2ccc(cc2)Br 34a_100000745507_100000189115 [0,2,0,0,0,0|2,0,0]=4 12321 B17R2.496 Cc1ncccc1OCc2ccc(cc2)Br 7a_100000745507_100011217064 [0,2,0,0,0,0|2,0,0]=4 12322 B17R2.496 Cc1ncccc1OCc2ccc(cc2)Cl 34a_100000745507_100000694040 [0,2,0,0,0,0|2,0,0]=4 12323 B17R2.496 Cc1ncccc1OCc2ccc(cc2)Cl 7a_100000745507_100000187161 [0,2,0,0,0,0|2,0,0]=4 12324 B17R2.496 Cc1ncccc1OCc2ccc(cc2)F 34a_100000745507_100000198546 [0,2,0,0,0,0|2,0,0]=4 12325 B17R2.496 Cc1ncccc1OCc2ccc(cc2)F 7a_100000745507_100000198546 [0,2,0,0,0,0|2,0,0]=4 12326 B17R2.496 Cc1ncccc1OCc2ccc(cc2)I 34a_100000745507_100000189116 [0,2,0,0,0,0|2,0,0]=4 12327 B17R2.496 Cc1ncccc1OCc2ccc(cc2)I 7a_100000745507_100000189116 [0,2,0,0,0,0|2,0,0]=4 12328 B17R2.496 Cc1ncccc1OCc2ccc(nc2)Br 34a_100000745507_100009831999 [0,2,0,0,0,0|2,0,0]=4 12329 B17R2.496 Cc1ncccc1OCc2ccc(nc2)Br 7a_100000745507_100009831999 [0,2,0,0,0,0|2,0,0]=4 12330 B17R2.496 Cc1ncccc1OCc2ccc(nc2)Cl 34a_100000745507_100000735431 [0,2,0,0,0,0|2,0,0]=4 12331 B17R2.496 Cc1ncccc1OCc2ccc(nc2)Cl 7a_100000745507_100000735431 [0,2,0,0,0,0|2,0,0]=4 12332 B17R2.496 Cc1ncccc1OCc2ccc(nc2)F 34a_100000745507_100000099788 [0,2,0,0,0,0|2,0,0]=4 12333 B17R2.496 Cc1ncccc1OCc2ccc(nc2)F 7a_100000745507_100009820150 [0,2,0,0,0,0|2,0,0]=4 12334 B17R2.496 Cc1ncccc1SCc2ccc(cc2)Br 62a_100000189115_100000751574 [0,2,0,0,0,0|2,0,0]=4 12335 B17R2.496 Cc1ncccc1SCc2ccc(cc2)Br 62a_100000751574_100000189115 [0,2,0,0,0,0|2,0,0]=4 12336 B17R2.496 Cc1ncccc1SCc2ccc(cc2)Cl 62a_100000187161_100000751574 [0,2,0,0,0,0|2,0,0]=4 12337 B17R2.496 Cc1ncccc1SCc2ccc(cc2)Cl 62a_100000751574_100000187161 [0,2,0,0,0,0|2,0,0]=4 12338 B17R2.496 Cc1ncccc1SCc2ccc(cc2)F 62a_100000198546_100000751574 [0,2,0,0,0,0|2,0,0]=4 12339 B17R2.496 Cc1ncccc1SCc2ccc(cc2)F 62a_100000751574_100000187164 [0,2,0,0,0,0|2,0,0]=4 12340 B17R2.496 Cc1ncccc1SCc2ccc(cc2)I 62a_100000189116_100000751574 [0,2,0,0,0,0|2,0,0]=4 12341 B17R2.496 Cc1ncccc1SCc2ccc(cc2)I 62a_100000751574_100000189116 [0,2,0,0,0,0|2,0,0]=4 12342 B17R2.496 Cc1ncccc1SCc2ccc(nc2)Br 62a_100000751574_100009831999 [0,2,0,0,0,0|2,0,0]=4 12343 B17R2.496 Cc1ncccc1SCc2ccc(nc2)Br 62a_100009831999_100000751574 [0,2,0,0,0,0|2,0,0]=4 12344 B17R2.496 Cc1ncccc1SCc2ccc(nc2)Cl 62a_100000735431_100000751574 [0,2,0,0,0,0|2,0,0]=4 12345 B17R2.496 Cc1ncccc1SCc2ccc(nc2)Cl 62a_100000751574_100000735431 [0,2,0,0,0,0|2,0,0]=4 12346 B17R2.496 Cc1ncccc1SCc2ccc(nc2)F 62a_100000751574_100000099788 [0,2,0,0,0,0|2,0,0]=4 12347 B17R2.496 Cc1ncccc1SCc2ccc(nc2)F 62a_100009820150_100000751574 [0,2,0,0,0,0|2,0,0]=4 12348 B17R2.496 Cc1nccnc1CNc2ccc(cn2)Br 27a_100020641712_100000686858 [0,2,0,0,0,0|2,0,0]=4 12349 B17R2.496 Cc1nccnc1NCc2ccc(nc2)Br 27a_100009817727_100011999405 [0,2,0,0,0,0|2,0,0]=4 12350 B17R2.496 Cc1nccnc1NCc2ccc(nc2)Cl 27a_100000735879_100011999405 [0,2,0,0,0,0|2,0,0]=4 12351 B17R2.496 Cc1nccnc1NCc2ccc(nc2)F 27a_100000101913_100011999405 [0,2,0,0,0,0|2,0,0]=4 12352 B17R2.496 Cc1nccnc1NCc2ccc(nc2)O 27a_100000757128_100011999405 [0,2,0,0,0,0|2,0,0]=4 12353 B17R2.496 Clc1ccc(cc1)C=Cc2cccnc2Br 271570a_100102527930_100010202626 [0,2,0,0,0,0|1,0,1]=4 12354 B17R2.496 Clc1ccc(cc1)C=Cc2cccnc2Cl 271570a_100102527930_100000036424 [0,2,0,0,0,0|1,0,1]=4 12355 B17R2.496 Clc1ccc(cc1)C=Cc2cnccc2Br 271570a_100102527930_100010138639 [0,2,0,0,0,0|1,0,1]=4 12356 B17R2.496 Clc1ccc(cc1)C=Cc2cnccc2Cl 271570a_100102527930_100009995489 [0,2,0,0,0,0|1,0,1]=4 12357 B17R2.496 Clc1ccc(cc1)CNc2ccccc2Br 207a_100000210017_100000189385 [0,2,0,0,0,0|1,0,0]=3 12358 B17R2.496 Clc1ccc(cc1)CNc2ccccc2Br 34a_100000210017_100000694040 [0,2,0,0,0,0|1,0,0]=3 12359 B17R2.496 Clc1ccc(cc1)CNc2ccccc2Cl 207a_100000185783_100000189385 [0,2,0,0,0,0|1,0,0]=3 12360 B17R2.496 Clc1ccc(cc1)CNc2ccccc2Cl 34a_100000185783_100000694040 [0,2,0,0,0,0|1,0,0]=3 12361 B17R2.496 Clc1ccc(cc1)CNc2ccccc2I 207a_100000210053_100000189385 [0,2,0,0,0,0|1,0,0]=3 12362 B17R2.496 Clc1ccc(cc1)CNc2ccccc2I 34a_100000210053_100000694040 [0,2,0,0,0,0|1,0,0]=3 12363 B17R2.496 Clc1ccc(cc1)CNc2ccncc2Br 27a_100000174871_100000726257 [0,2,0,0,0,0|2,0,0]=4 12364 B17R2.496 Clc1ccc(cc1)CNc2ncccc2Br 27a_100000174871_100000696092 [0,2,0,0,0,0|2,0,0]=4 12365 B17R2.496 Clc1ccc(cc1)COc2ccccc2Br 34a_100000181306_100000694040 [0,2,0,0,0,0|2,0,0]=4 12366 B17R2.496 Clc1ccc(cc1)COc2ccccc2Br 7a_100000181306_100000187161 [0,2,0,0,0,0|2,0,0]=4 12367 B17R2.496 Clc1ccc(cc1)COc2ccccc2Cl 34a_100000210172_100000694040 [0,2,0,0,0,0|2,0,0]=4 12368 B17R2.496 Clc1ccc(cc1)COc2ccccc2Cl 7a_100000210172_100000187161 [0,2,0,0,0,0|2,0,0]=4 12369 B17R2.496 Clc1ccc(cc1)COc2ccccc2I 34a_100000739446_100000694040 [0,2,0,0,0,0|2,0,0]=4 12370 B17R2.496 Clc1ccc(cc1)COc2ccccc2I 7a_100000739446_100000187161 [0,2,0,0,0,0|2,0,0]=4 12371 B17R2.496 Clc1ccc(cc1)COc2cccnc2Br 34a_100000744436_100000694040 [0,2,0,0,0,0|2,0,0]=4 12372 B17R2.496 Clc1ccc(cc1)COc2cccnc2Br 7a_100000744436_100000187161 [0,2,0,0,0,0|2,0,0]=4 12373 B17R2.496 Clc1ccc(cc1)COc2cccnc2Cl 34a_100000757616_100000694040 [0,2,0,0,0,0|2,0,0]=4 12374 B17R2.496 Clc1ccc(cc1)COc2cccnc2Cl 7a_100000757616_100000187161 [0,2,0,0,0,0|2,0,0]=4 12375 B17R2.496 Clc1ccc(cc1)COc2cccnc2I 34a_100000034122_100000694040 [0,2,0,0,0,0|2,0,0]=4 12376 B17R2.496 Clc1ccc(cc1)COc2cccnc2I 7a_100000034122_100000187161 [0,2,0,0,0,0|2,0,0]=4 12377 B17R2.496 Clc1ccc(cc1)COc2cnccc2Cl 34a_100011996695_100000694040 [0,2,0,0,0,0|2,0,0]=4 12378 B17R2.496 Clc1ccc(cc1)COc2cnccc2I 34a_100000050107_100000694040 [0,2,0,0,0,0|2,0,0]=4 12379 B17R2.496 Clc1ccc(cc1)CSc2ccccc2Br 62a_100000187161_100000695589 [0,2,0,0,0,0|2,0,0]=4 12380 B17R2.496 Clc1ccc(cc1)CSc2ccccc2Br 62a_100000695589_100000187161 [0,2,0,0,0,0|2,0,0]=4 12381 B17R2.496 Clc1ccc(cc1)CSc2ccccc2Cl 62a_100000187161_100000764095 [0,2,0,0,0,0|2,0,0]=4 12382 B17R2.496 Clc1ccc(cc1)CSc2ccccc2Cl 62a_100000764095_100000187161 [0,2,0,0,0,0|2,0,0]=4 12383 B17R2.496 Clc1ccc(cc1)CSc2cccnc2Br 62a_100000187161_100010202626 [0,2,0,0,0,0|2,0,0]=4 12384 B17R2.496 Clc1ccc(cc1)CSc2cccnc2Br 62a_100010202626_100000187161 [0,2,0,0,0,0|2,0,0]=4 12385 B17R2.496 Clc1ccc(cc1)CSc2cccnc2Cl 62a_100000036424_100000187161 [0,2,0,0,0,0|2,0,0]=4 12386 B17R2.496 Clc1ccc(cc1)CSc2cccnc2Cl 62a_100000187161_100000036424 [0,2,0,0,0,0|2,0,0]=4 12387 B17R2.496 Clc1ccc(cc1)CSc2cnccc2Br 62a_100000187161_100010138639 [0,2,0,0,0,0|2,0,0]=4 12388 B17R2.496 Clc1ccc(cc1)CSc2cnccc2Br 62a_100010138639_100000187161 [0,2,0,0,0,0|2,0,0]=4 12389 B17R2.496 Clc1ccc(cc1)CSc2cnccc2Cl 62a_100000187161_100009995489 [0,2,0,0,0,0|2,0,0]=4 12390 B17R2.496 Clc1ccc(cc1)CSc2cnccc2Cl 62a_100009995489_100000187161 [0,2,0,0,0,0|2,0,0]=4 12391 B17R2.496 Clc1ccc(cc1)NCc2ccccc2Br 207a_100000210052_100000211189 [0,2,0,0,0,0|1,0,0]=3 12392 B17R2.496 Clc1ccc(cc1)NCc2ccccc2Br 2230a_100000210052_100000184730 [0,2,0,0,0,0|1,0,0]=3 12393 B17R2.496 Clc1ccc(cc1)NCc2ccccc2Br 270302a_100000210052_100000211189 [0,2,0,0,0,0|1,0,0]=3 12394 B17R2.496 Clc1ccc(cc1)NCc2ccccc2Br 34a_100000210052_100000184730 [0,2,0,0,0,0|1,0,0]=3 12395 B17R2.496 Clc1ccc(cc1)NCc2ccccc2Cl 207a_100000210052_100000210073 [0,2,0,0,0,0|1,0,0]=3 12396 B17R2.496 Clc1ccc(cc1)NCc2ccccc2Cl 2230a_100000210052_100000187162 [0,2,0,0,0,0|1,0,0]=3 12397 B17R2.496 Clc1ccc(cc1)NCc2ccccc2Cl 270302a_100000210052_100000210073 [0,2,0,0,0,0|1,0,0]=3 12398 B17R2.496 Clc1ccc(cc1)NCc2ccccc2Cl 34a_100000210052_100000187162 [0,2,0,0,0,0|1,0,0]=3 12399 B17R2.496 Clc1ccc(cc1)NCc2ccccc2I 207a_100000210052_100000010305 [0,2,0,0,0,0|1,0,0]=3 12400 B17R2.496 Clc1ccc(cc1)NCc2ccccc2I 2230a_100000210052_100011215278 [0,2,0,0,0,0|1,0,0]=3 12401 B17R2.496 Clc1ccc(cc1)NCc2ccccc2I 34a_100000210052_100011215278 [0,2,0,0,0,0|1,0,0]=3 12402 B17R2.496 Clc1ccc(cc1)NCc2cccnc2Br 2230a_100000210052_100010140945 [0,2,0,0,0,0|0,0,0]=2 12403 B17R2.496 Clc1ccc(cc1)NCc2cccnc2Br 34a_100000210052_100010140945 [0,2,0,0,0,0|0,0,0]=2 12404 B17R2.496 Clc1ccc(cc1)NCc2cccnc2Cl 2230a_100000210052_100000045678 [0,2,0,0,0,0|0,0,0]=2 12405 B17R2.496 Clc1ccc(cc1)NCc2cccnc2Cl 34a_100000210052_100000045678 [0,2,0,0,0,0|0,0,0]=2 12406 B17R2.496 Clc1ccc(cc1)NCc2ccncc2Cl 207a_100000210052_100011934409 [0,2,0,0,0,0|2,0,0]=4 12407 B17R2.496 Clc1ccc(cc1)NCc2ccncc2Cl 2230a_100000210052_100000763264 [0,2,0,0,0,0|2,0,0]=4 12408 B17R2.496 Clc1ccc(cc1)NCc2ncccc2Br 207a_100000210052_100011934733 [0,2,0,0,0,0|2,0,0]=4 12409 B17R2.496 Clc1ccc(cc1)NCc2ncccc2Br 2230a_100000210052_100025702911 [0,2,0,0,0,0|2,0,0]=4 12410 B17R2.496 Clc1ccc(cc1)NCc2ncccc2Br 34a_100000210052_100025702911 [0,2,0,0,0,0|2,0,0]=4 12411 B17R2.496 Clc1ccc(cc1)NCc2ncccc2Cl 207a_100000210052_100012001307 [0,2,0,0,0,0|2,0,0]=4 12412 B17R2.496 Clc1ccc(cc1)NCc2ncccc2Cl 2230a_100000210052_100000099807 [0,2,0,0,0,0|2,0,0]=4 12413 B17R2.496 Clc1ccc(cc1)OCc2ccccc2Br 34a_100000210216_100000184730 [0,2,0,0,0,0|2,0,0]=4 12414 B17R2.496 Clc1ccc(cc1)OCc2ccccc2Br 7a_100000210216_100000184730 [0,2,0,0,0,0|2,0,0]=4 12415 B17R2.496 Clc1ccc(cc1)OCc2ccccc2Cl 34a_100000210216_100000187162 [0,2,0,0,0,0|2,0,0]=4 12416 B17R2.496 Clc1ccc(cc1)OCc2ccccc2Cl 7a_100000210216_100000187162 [0,2,0,0,0,0|2,0,0]=4 12417 B17R2.496 Clc1ccc(cc1)OCc2ccccc2I 34a_100000210216_100011215278 [0,2,0,0,0,0|2,0,0]=4 12418 B17R2.496 Clc1ccc(cc1)OCc2ccccc2I 7a_100000210216_100011215278 [0,2,0,0,0,0|2,0,0]=4 12419 B17R2.496 Clc1ccc(cc1)OCc2cccnc2Br 34a_100000210216_100010140945 [0,2,0,0,0,0|1,0,0]=3 12420 B17R2.496 Clc1ccc(cc1)OCc2cccnc2Br 7a_100000210216_100010140945 [0,2,0,0,0,0|1,0,0]=3 12421 B17R2.496 Clc1ccc(cc1)OCc2cccnc2Cl 34a_100000210216_100000045678 [0,2,0,0,0,0|1,0,0]=3 12422 B17R2.496 Clc1ccc(cc1)OCc2cccnc2Cl 7a_100000210216_100000045678 [0,2,0,0,0,0|1,0,0]=3 12423 B17R2.496 Clc1ccc(cc1)SCc2ccccc2Br 62a_100000184730_100000755918 [0,2,0,0,0,0|2,0,0]=4 12424 B17R2.496 Clc1ccc(cc1)SCc2ccccc2Br 62a_100000755918_100000184730 [0,2,0,0,0,0|2,0,0]=4 12425 B17R2.496 Clc1ccc(cc1)SCc2ccccc2Cl 62a_100000187162_100000755918 [0,2,0,0,0,0|2,0,0]=4 12426 B17R2.496 Clc1ccc(cc1)SCc2ccccc2Cl 62a_100000755918_100000187162 [0,2,0,0,0,0|2,0,0]=4 12427 B17R2.496 Clc1ccc(cc1)SCc2ccccc2I 62a_100000755918_100011216222 [0,2,0,0,0,0|2,0,0]=4 12428 B17R2.496 Clc1ccc(cc1)SCc2ccccc2I 62a_100011216222_100000755918 [0,2,0,0,0,0|2,0,0]=4 12429 B17R2.496 Clc1ccc(cc1)SCc2cccnc2Br 62a_100000755918_100010140945 [0,2,0,0,0,0|1,0,0]=3 12430 B17R2.496 Clc1ccc(cc1)SCc2cccnc2Br 62a_100010140945_100000755918 [0,2,0,0,0,0|1,0,0]=3 12431 B17R2.496 Clc1ccc(cc1)SCc2cccnc2Cl 62a_100000045678_100000755918 [0,2,0,0,0,0|1,0,0]=3 12432 B17R2.496 Clc1ccc(cc1)SCc2cccnc2Cl 62a_100000755918_100000045678 [0,2,0,0,0,0|1,0,0]=3 12433 B17R2.496 Clc1ccc(cn1)CNc2ccccc2Br 34a_100000210017_100000735431 [0,2,0,0,0,0|0,0,0]=2 12434 B17R2.496 Clc1ccc(cn1)CNc2ccccc2Cl 34a_100000185783_100000735431 [0,2,0,0,0,0|0,0,0]=2 12435 B17R2.496 Clc1ccc(cn1)CNc2ccccc2I 34a_100000210053_100000735431 [0,2,0,0,0,0|0,0,0]=2 12436 B17R2.496 Clc1ccc(cn1)CNc2ccncc2Br 27a_100000735879_100000726257 [0,2,0,0,0,0|1,0,0]=3 12437 B17R2.496 Clc1ccc(cn1)CNc2ncccc2Br 27a_100000735879_100000696092 [0,2,0,0,0,0|1,0,0]=3 12438 B17R2.496 Clc1ccc(cn1)COc2ccccc2Br 34a_100000181306_100000735431 [0,2,0,0,0,0|1,0,0]=3 12439 B17R2.496 Clc1ccc(cn1)COc2ccccc2Br 7a_100000181306_100000735431 [0,2,0,0,0,0|1,0,0]=3 12440 B17R2.496 Clc1ccc(cn1)COc2ccccc2Cl 34a_100000210172_100000735431 [0,2,0,0,0,0|1,0,0]=3 12441 B17R2.496 Clc1ccc(cn1)COc2ccccc2Cl 7a_100000210172_100000735431 [0,2,0,0,0,0|1,0,0]=3 12442 B17R2.496 Clc1ccc(cn1)COc2ccccc2I 34a_100000739446_100000735431 [0,2,0,0,0,0|1,0,0]=3 12443 B17R2.496 Clc1ccc(cn1)COc2ccccc2I 7a_100000739446_100000735431 [0,2,0,0,0,0|1,0,0]=3 12444 B17R2.496 Clc1ccc(cn1)COc2cccnc2Br 34a_100000744436_100000735431 [0,2,0,0,0,0|2,0,0]=4 12445 B17R2.496 Clc1ccc(cn1)COc2cccnc2Br 7a_100000744436_100000735431 [0,2,0,0,0,0|2,0,0]=4 12446 B17R2.496 Clc1ccc(cn1)COc2cccnc2Cl 34a_100000757616_100000735431 [0,2,0,0,0,0|2,0,0]=4 12447 B17R2.496 Clc1ccc(cn1)COc2cccnc2Cl 7a_100000757616_100000735431 [0,2,0,0,0,0|2,0,0]=4 12448 B17R2.496 Clc1ccc(cn1)COc2cccnc2I 34a_100000034122_100000735431 [0,2,0,0,0,0|2,0,0]=4 12449 B17R2.496 Clc1ccc(cn1)COc2cccnc2I 7a_100000034122_100000735431 [0,2,0,0,0,0|2,0,0]=4 12450 B17R2.496 Clc1ccc(cn1)COc2ccncc2Br 34a_100011996408_100000735431 [0,2,0,0,0,0|2,0,0]=4 12451 B17R2.496 Clc1ccc(cn1)COc2ccncc2Cl 34a_100011997054_100000735431 [0,2,0,0,0,0|2,0,0]=4 12452 B17R2.496 Clc1ccc(cn1)COc2cnccc2Cl 34a_100011996695_100000735431 [0,2,0,0,0,0|2,0,0]=4 12453 B17R2.496 Clc1ccc(cn1)COc2cnccc2I 34a_100000050107_100000735431 [0,2,0,0,0,0|2,0,0]=4 12454 B17R2.496 Clc1ccc(cn1)COc2ncccc2Cl 34a_100011290957_100000735431 [0,2,0,0,0,0|2,0,0]=4 12455 B17R2.496 Clc1ccc(cn1)CSc2ccccc2Br 62a_100000695589_100000735431 [0,2,0,0,0,0|1,0,0]=3 12456 B17R2.496 Clc1ccc(cn1)CSc2ccccc2Br 62a_100000735431_100000695589 [0,2,0,0,0,0|1,0,0]=3 12457 B17R2.496 Clc1ccc(cn1)CSc2ccccc2Cl 62a_100000735431_100000764095 [0,2,0,0,0,0|1,0,0]=3 12458 B17R2.496 Clc1ccc(cn1)CSc2ccccc2Cl 62a_100000764095_100000735431 [0,2,0,0,0,0|1,0,0]=3 12459 B17R2.496 Clc1ccc(cn1)CSc2cccnc2Br 62a_100000735431_100010202626 [0,2,0,0,0,0|2,0,0]=4 12460 B17R2.496 Clc1ccc(cn1)CSc2cccnc2Br 62a_100010202626_100000735431 [0,2,0,0,0,0|2,0,0]=4 12461 B17R2.496 Clc1ccc(cn1)CSc2cccnc2Cl 62a_100000036424_100000735431 [0,2,0,0,0,0|2,0,0]=4 12462 B17R2.496 Clc1ccc(cn1)CSc2cccnc2Cl 62a_100000735431_100000036424 [0,2,0,0,0,0|2,0,0]=4 12463 B17R2.496 Clc1ccc(cn1)CSc2ccncc2Br 62a_100000726257_100000735431 [0,2,0,0,0,0|2,0,0]=4 12464 B17R2.496 Clc1ccc(cn1)CSc2ccncc2Br 62a_100000735431_100000726257 [0,2,0,0,0,0|2,0,0]=4 12465 B17R2.496 Clc1ccc(cn1)CSc2ccncc2Cl 62a_100000708259_100000735431 [0,2,0,0,0,0|2,0,0]=4 12466 B17R2.496 Clc1ccc(cn1)CSc2ccncc2Cl 62a_100000735431_100000708259 [0,2,0,0,0,0|2,0,0]=4 12467 B17R2.496 Clc1ccc(cn1)CSc2cnccc2Br 62a_100000735431_100010138639 [0,2,0,0,0,0|2,0,0]=4 12468 B17R2.496 Clc1ccc(cn1)CSc2cnccc2Br 62a_100010138639_100000735431 [0,2,0,0,0,0|2,0,0]=4 12469 B17R2.496 Clc1ccc(cn1)CSc2cnccc2Cl 62a_100000735431_100009995489 [0,2,0,0,0,0|2,0,0]=4 12470 B17R2.496 Clc1ccc(cn1)CSc2cnccc2Cl 62a_100009995489_100000735431 [0,2,0,0,0,0|2,0,0]=4 12471 B17R2.496 Clc1ccc(cn1)CSc2ncccc2Br 62a_100000696092_100000735431 [0,2,0,0,0,0|2,0,0]=4 12472 B17R2.496 Clc1ccc(cn1)CSc2ncccc2Br 62a_100000735431_100000696092 [0,2,0,0,0,0|2,0,0]=4 12473 B17R2.496 Clc1ccc(cn1)CSc2ncccc2Cl 62a_100000735431_100011356963 [0,2,0,0,0,0|2,0,0]=4 12474 B17R2.496 Clc1ccc(cn1)CSc2ncccc2Cl 62a_100011356963_100000735431 [0,2,0,0,0,0|2,0,0]=4 12475 B17R2.496 Clc1ccc(cn1)OCc2ccccc2Br 34a_100000744096_100000184730 [0,2,0,0,0,0|2,0,0]=4 12476 B17R2.496 Clc1ccc(cn1)OCc2ccccc2Br 7a_100000744096_100000184730 [0,2,0,0,0,0|2,0,0]=4 12477 B17R2.496 Clc1ccc(cn1)OCc2ccccc2Cl 34a_100000744096_100000187162 [0,2,0,0,0,0|2,0,0]=4 12478 B17R2.496 Clc1ccc(cn1)OCc2ccccc2Cl 7a_100000744096_100000187162 [0,2,0,0,0,0|2,0,0]=4 12479 B17R2.496 Clc1ccc(cn1)OCc2ccccc2I 34a_100000744096_100011215278 [0,2,0,0,0,0|2,0,0]=4 12480 B17R2.496 Clc1ccc(cn1)OCc2ccccc2I 7a_100000744096_100011215278 [0,2,0,0,0,0|2,0,0]=4 12481 B17R2.496 Clc1ccc(cn1)OCc2cccnc2Br 34a_100000744096_100010140945 [0,2,0,0,0,0|2,0,0]=4 12482 B17R2.496 Clc1ccc(cn1)OCc2cccnc2Br 7a_100000744096_100010140945 [0,2,0,0,0,0|2,0,0]=4 12483 B17R2.496 Clc1ccc(cn1)OCc2cccnc2Cl 34a_100000744096_100000045678 [0,2,0,0,0,0|2,0,0]=4 12484 B17R2.496 Clc1ccc(cn1)OCc2cccnc2Cl 7a_100000744096_100000045678 [0,2,0,0,0,0|2,0,0]=4 12485 B17R2.496 Clc1ccc(cn1)SCc2ccccc2Br 62a_100000034144_100000184730 [0,2,0,0,0,0|2,0,0]=4 12486 B17R2.496 Clc1ccc(cn1)SCc2ccccc2Br 62a_100000184730_100000034144 [0,2,0,0,0,0|2,0,0]=4 12487 B17R2.496 Clc1ccc(cn1)SCc2ccccc2Cl 62a_100000034144_100000187162 [0,2,0,0,0,0|2,0,0]=4 12488 B17R2.496 Clc1ccc(cn1)SCc2ccccc2Cl 62a_100000187162_100000034144 [0,2,0,0,0,0|2,0,0]=4 12489 B17R2.496 Clc1ccc(cn1)SCc2ccccc2I 62a_100000034144_100011216222 [0,2,0,0,0,0|2,0,0]=4 12490 B17R2.496 Clc1ccc(cn1)SCc2ccccc2I 62a_100011216222_100000034144 [0,2,0,0,0,0|2,0,0]=4 12491 B17R2.496 Clc1ccc(cn1)SCc2cccnc2Br 62a_100000034144_100010140945 [0,2,0,0,0,0|2,0,0]=4 12492 B17R2.496 Clc1ccc(cn1)SCc2cccnc2Br 62a_100010140945_100000034144 [0,2,0,0,0,0|2,0,0]=4 12493 B17R2.496 Clc1ccc(cn1)SCc2cccnc2Cl 62a_100000034144_100000045678 [0,2,0,0,0,0|2,0,0]=4 12494 B17R2.496 Clc1ccc(cn1)SCc2cccnc2Cl 62a_100000045678_100000034144 [0,2,0,0,0,0|2,0,0]=4 12495 B17R2.496 Clc1ccc(nc1)CNc2ccccc2Br 207a_100000210017_100011361569 [0,2,0,0,0,0|2,0,0]=4 12496 B17R2.496 Clc1ccc(nc1)CNc2ccccc2Br 34a_100000210017_100012066911 [0,2,0,0,0,0|2,0,0]=4 12497 B17R2.496 Clc1ccc(nc1)CNc2ccccc2Cl 207a_100000185783_100011361569 [0,2,0,0,0,0|2,0,0]=4 12498 B17R2.496 Clc1ccc(nc1)CNc2ccccc2Cl 34a_100000185783_100012066911 [0,2,0,0,0,0|2,0,0]=4 12499 B17R2.496 Clc1ccc(nc1)CNc2ccccc2I 207a_100000210053_100011361569 [0,2,0,0,0,0|2,0,0]=4 12500 B17R2.496 Clc1ccc(nc1)CNc2ccccc2I 34a_100000210053_100012066911 [0,2,0,0,0,0|2,0,0]=4 12501 B17R2.496 Clc1ccc(nc1)OCc2cccnc2Br 34a_100011215309_100010140945 [0,2,0,0,0,0|2,0,0]=4 12502 B17R2.496 Clc1ccc(nc1)OCc2cccnc2Cl 34a_100011215309_100000045678 [0,2,0,0,0,0|2,0,0]=4 12503 B17R2.496 Clc1ccc(nc1)SCc2cccnc2Br 62a_100010140945_100011356976 [0,2,0,0,0,0|2,0,0]=4 12504 B17R2.496 Clc1ccc(nc1)SCc2cccnc2Br 62a_100011356976_100010140945 [0,2,0,0,0,0|2,0,0]=4 12505 B17R2.496 Clc1ccc(nc1)SCc2cccnc2Cl 62a_100000045678_100011356976 [0,2,0,0,0,0|2,0,0]=4 12506 B17R2.496 Clc1ccc(nc1)SCc2cccnc2Cl 62a_100011356976_100000045678 [0,2,0,0,0,0|2,0,0]=4 12507 B17R2.496 Clc1ccc(nn1)CNc2ccccc2Br 34a_100000210017_100016992710 [0,2,0,0,0,0|1,0,0]=3 12508 B17R2.496 Clc1ccc(nn1)CNc2ccccc2Cl 34a_100000185783_100016992710 [0,2,0,0,0,0|1,0,0]=3 12509 B17R2.496 Clc1ccc(nn1)CNc2ccccc2I 34a_100000210053_100016992710 [0,2,0,0,0,0|1,0,0]=3 12510 B17R2.496 Clc1ccc(nn1)COc2ccccc2Br 34a_100000181306_100016992710 [0,2,0,0,0,0|2,0,0]=4 12511 B17R2.496 Clc1ccc(nn1)COc2ccccc2Br 7a_100000181306_100016992710 [0,2,0,0,0,0|2,0,0]=4 12512 B17R2.496 Clc1ccc(nn1)COc2ccccc2Cl 34a_100000210172_100016992710 [0,2,0,0,0,0|2,0,0]=4 12513 B17R2.496 Clc1ccc(nn1)COc2ccccc2Cl 7a_100000210172_100016992710 [0,2,0,0,0,0|2,0,0]=4 12514 B17R2.496 Clc1ccc(nn1)COc2ccccc2I 34a_100000739446_100016992710 [0,2,0,0,0,0|2,0,0]=4 12515 B17R2.496 Clc1ccc(nn1)COc2ccccc2I 7a_100000739446_100016992710 [0,2,0,0,0,0|2,0,0]=4 12516 B17R2.496 Clc1ccc(nn1)CSc2ccccc2Br 62a_100000695589_100016992710 [0,2,0,0,0,0|2,0,0]=4 12517 B17R2.496 Clc1ccc(nn1)CSc2ccccc2Br 62a_100016992710_100000695589 [0,2,0,0,0,0|2,0,0]=4 12518 B17R2.496 Clc1ccc(nn1)CSc2ccccc2Cl 62a_100000764095_100016992710 [0,2,0,0,0,0|2,0,0]=4 12519 B17R2.496 Clc1ccc(nn1)CSc2ccccc2Cl 62a_100016992710_100000764095 [0,2,0,0,0,0|2,0,0]=4 12520 B17R2.496 Clc1ccccc1CNc2ccc(cc2)Br 207a_100000210018_100000210073 [0,2,0,0,0,0|1,0,0]=3 12521 B17R2.496 Clc1ccccc1CNc2ccc(cc2)Br 2230a_100000210018_100000187162 [0,2,0,0,0,0|1,0,0]=3 12522 B17R2.496 Clc1ccccc1CNc2ccc(cc2)Br 270302a_100000210018_100000210073 [0,2,0,0,0,0|1,0,0]=3 12523 B17R2.496 Clc1ccccc1CNc2ccc(cc2)Br 34a_100000210018_100000187162 [0,2,0,0,0,0|1,0,0]=3 12524 B17R2.496 Clc1ccccc1CNc2ccc(cc2)I 207a_100000185761_100000210073 [0,2,0,0,0,0|1,0,0]=3 12525 B17R2.496 Clc1ccccc1CNc2ccc(cc2)I 270302a_100000185761_100000210073 [0,2,0,0,0,0|1,0,0]=3 12526 B17R2.496 Clc1ccccc1CNc2ccc(cc2)I 34a_100000185761_100000187162 [0,2,0,0,0,0|1,0,0]=3 12527 B17R2.496 Clc1ccccc1CNc2ccc(cn2)Br 27a_100000174879_100000686858 [0,2,0,0,0,0|2,0,0]=4 12528 B17R2.496 Clc1ccccc1COc2ccc(cc2)Br 34a_100000185759_100000187162 [0,2,0,0,0,0|2,0,0]=4 12529 B17R2.496 Clc1ccccc1COc2ccc(cc2)Br 7a_100000185759_100000187162 [0,2,0,0,0,0|2,0,0]=4 12530 B17R2.496 Clc1ccccc1COc2ccc(cc2)I 34a_100000212066_100000187162 [0,2,0,0,0,0|2,0,0]=4 12531 B17R2.496 Clc1ccccc1COc2ccc(cc2)I 7a_100000212066_100000187162 [0,2,0,0,0,0|2,0,0]=4 12532 B17R2.496 Clc1ccccc1COc2ccc(nc2)Br 34a_100000685995_100000187162 [0,2,0,0,0,0|2,0,0]=4 12533 B17R2.496 Clc1ccccc1COc2ccc(nc2)Br 7a_100000685995_100000187162 [0,2,0,0,0,0|2,0,0]=4 12534 B17R2.496 Clc1ccccc1COc2ccc(nc2)I 34a_100000687607_100000187162 [0,2,0,0,0,0|2,0,0]=4 12535 B17R2.496 Clc1ccccc1COc2ccc(nc2)I 7a_100000687607_100000187162 [0,2,0,0,0,0|2,0,0]=4 12536 B17R2.496 Clc1ccccc1CSc2ccc(cc2)Br 62a_100000187162_100000752885 [0,2,0,0,0,0|2,0,0]=4 12537 B17R2.496 Clc1ccccc1CSc2ccc(cc2)Br 62a_100000752885_100000187162 [0,2,0,0,0,0|2,0,0]=4 12538 B17R2.496 Clc1ccccc1CSc2ccc(nc2)Br 62a_100000187162_100009814638 [0,2,0,0,0,0|2,0,0]=4 12539 B17R2.496 Clc1ccccc1CSc2ccc(nc2)Br 62a_100009814638_100000187162 [0,2,0,0,0,0|2,0,0]=4 12540 B17R2.496 Clc1ccccc1NCc2ccc(cc2)Br 207a_100000185783_100000186029 [0,2,0,0,0,0|1,0,0]=3 12541 B17R2.496 Clc1ccccc1NCc2ccc(cc2)Br 34a_100000185783_100000189115 [0,2,0,0,0,0|1,0,0]=3 12542 B17R2.496 Clc1ccccc1NCc2ccc(cc2)I 207a_100000185783_100000188517 [0,2,0,0,0,0|1,0,0]=3 12543 B17R2.496 Clc1ccccc1NCc2ccc(cc2)I 34a_100000185783_100000189116 [0,2,0,0,0,0|1,0,0]=3 12544 B17R2.496 Clc1ccccc1NCc2ccc(cn2)Br 207a_100000185783_100000754260 [0,2,0,0,0,0|2,0,0]=4 12545 B17R2.496 Clc1ccccc1NCc2ccc(cn2)Br 34a_100000185783_100000702658 [0,2,0,0,0,0|2,0,0]=4 12546 B17R2.496 Clc1ccccc1NCc2ccc(nc2)Br 34a_100000185783_100009831999 [0,2,0,0,0,0|0,0,0]=2 12547 B17R2.496 Clc1ccccc1OCc2ccc(cc2)Br 34a_100000210172_100000189115 [0,2,0,0,0,0|2,0,0]=4 12548 B17R2.496 Clc1ccccc1OCc2ccc(cc2)Br 7a_100000210172_100011217064 [0,2,0,0,0,0|2,0,0]=4 12549 B17R2.496 Clc1ccccc1OCc2ccc(cc2)I 34a_100000210172_100000189116 [0,2,0,0,0,0|2,0,0]=4 12550 B17R2.496 Clc1ccccc1OCc2ccc(cc2)I 7a_100000210172_100000189116 [0,2,0,0,0,0|2,0,0]=4 12551 B17R2.496 Clc1ccccc1OCc2ccc(nc2)Br 34a_100000210172_100009831999 [0,2,0,0,0,0|1,0,0]=3 12552 B17R2.496 Clc1ccccc1OCc2ccc(nc2)Br 7a_100000210172_100009831999 [0,2,0,0,0,0|1,0,0]=3 12553 B17R2.496 Clc1ccccc1SCc2ccc(cc2)Br 62a_100000189115_100000764095 [0,2,0,0,0,0|2,0,0]=4 12554 B17R2.496 Clc1ccccc1SCc2ccc(cc2)Br 62a_100000764095_100000189115 [0,2,0,0,0,0|2,0,0]=4 12555 B17R2.496 Clc1ccccc1SCc2ccc(cc2)I 62a_100000189116_100000764095 [0,2,0,0,0,0|2,0,0]=4 12556 B17R2.496 Clc1ccccc1SCc2ccc(cc2)I 62a_100000764095_100000189116 [0,2,0,0,0,0|2,0,0]=4 12557 B17R2.496 Clc1ccccc1SCc2ccc(nc2)Br 62a_100000764095_100009831999 [0,2,0,0,0,0|1,0,0]=3 12558 B17R2.496 Clc1ccccc1SCc2ccc(nc2)Br 62a_100009831999_100000764095 [0,2,0,0,0,0|1,0,0]=3 12559 B17R2.496 Clc1cccnc1CNc2ccc(cc2)Br 207a_100000210018_100012001307 [0,2,0,0,0,0|2,0,0]=4 12560 B17R2.496 Clc1cccnc1CNc2ccc(cc2)Br 2230a_100000210018_100000099807 [0,2,0,0,0,0|2,0,0]=4 12561 B17R2.496 Clc1cccnc1CNc2ccc(cc2)I 207a_100000185761_100012001307 [0,2,0,0,0,0|2,0,0]=4 12562 B17R2.496 Clc1cccnc1OCc2ccc(nc2)Br 34a_100011290957_100009831999 [0,2,0,0,0,0|2,0,0]=4 12563 B17R2.496 Clc1cccnc1SCc2ccc(nc2)Br 62a_100009831999_100011356963 [0,2,0,0,0,0|2,0,0]=4 12564 B17R2.496 Clc1cccnc1SCc2ccc(nc2)Br 62a_100011356963_100009831999 [0,2,0,0,0,0|2,0,0]=4 12565 B17R2.496 Clc1ccncc1C=Cc2ccc(cc2)Br 271570a_100102527914_100009995489 [0,2,0,0,0,0|1,0,1]=4 12566 B17R2.496 Clc1ccncc1OCc2ccc(cc2)Br 34a_100011996695_100000189115 [0,2,0,0,0,0|2,0,0]=4 12567 B17R2.496 Clc1ccncc1OCc2ccc(cc2)I 34a_100011996695_100000189116 [0,2,0,0,0,0|2,0,0]=4 12568 B17R2.496 Clc1ccncc1OCc2ccc(nc2)Br 34a_100011996695_100009831999 [0,2,0,0,0,0|2,0,0]=4 12569 B17R2.496 Clc1ccncc1SCc2ccc(cc2)Br 62a_100000189115_100009995489 [0,2,0,0,0,0|2,0,0]=4 12570 B17R2.496 Clc1ccncc1SCc2ccc(cc2)Br 62a_100009995489_100000189115 [0,2,0,0,0,0|2,0,0]=4 12571 B17R2.496 Clc1ccncc1SCc2ccc(cc2)I 62a_100000189116_100009995489 [0,2,0,0,0,0|2,0,0]=4 12572 B17R2.496 Clc1ccncc1SCc2ccc(cc2)I 62a_100009995489_100000189116 [0,2,0,0,0,0|2,0,0]=4 12573 B17R2.496 Clc1ccncc1SCc2ccc(nc2)Br 62a_100009831999_100009995489 [0,2,0,0,0,0|2,0,0]=4 12574 B17R2.496 Clc1ccncc1SCc2ccc(nc2)Br 62a_100009995489_100009831999 [0,2,0,0,0,0|2,0,0]=4 12575 B17R2.496 Clc1cnc(nc1)NCc2cccnc2Br 27a_100009818023_100011356929 [0,2,0,0,0,0|2,0,0]=4 12576 B17R2.496 Clc1cnc(nc1)NCc2cccnc2Cl 27a_100015189234_100011356929 [0,2,0,0,0,0|2,0,0]=4 12577 B17R2.496 Clc1cnccc1CNc2ccc(cc2)Br 207a_100000210018_100011934409 [0,2,0,0,0,0|2,0,0]=4 12578 B17R2.496 Clc1cnccc1CNc2ccc(cc2)Br 2230a_100000210018_100000763264 [0,2,0,0,0,0|2,0,0]=4 12579 B17R2.496 Clc1cnccc1CNc2ccc(cc2)I 207a_100000185761_100011934409 [0,2,0,0,0,0|2,0,0]=4 12580 B17R2.496 Clc1cnccc1OCc2ccc(nc2)Br 34a_100011997054_100009831999 [0,2,0,0,0,0|2,0,0]=4 12581 B17R2.496 Clc1cnccc1SCc2ccc(nc2)Br 62a_100000708259_100009831999 [0,2,0,0,0,0|2,0,0]=4 12582 B17R2.496 Clc1cnccc1SCc2ccc(nc2)Br 62a_100009831999_100000708259 [0,2,0,0,0,0|2,0,0]=4 12583 B17R2.496 Clc1ncccc1C=Cc2ccc(cc2)Br 271570a_100102527914_100000036424 [0,2,0,0,0,0|1,0,1]=4 12584 B17R2.496 Clc1ncccc1CNc2ccc(cc2)Br 2230a_100000210018_100000045678 [0,2,0,0,0,0|0,0,0]=2 12585 B17R2.496 Clc1ncccc1CNc2ccc(cc2)Br 34a_100000210018_100000045678 [0,2,0,0,0,0|0,0,0]=2 12586 B17R2.496 Clc1ncccc1CNc2ccc(cc2)I 34a_100000185761_100000045678 [0,2,0,0,0,0|0,0,0]=2 12587 B17R2.496 Clc1ncccc1CNc2ccc(cn2)Br 27a_100015189234_100000686858 [0,2,0,0,0,0|1,0,0]=3 12588 B17R2.496 Clc1ncccc1CNc2cnc(cn2)Br 27a_100015189234_100010187541 [0,2,0,0,0,0|2,0,0]=4 12589 B17R2.496 Clc1ncccc1CNc2ncc(cn2)Br 27a_100015189234_100000690281 [0,2,0,0,0,0|2,0,0]=4 12590 B17R2.496 Clc1ncccc1COc2ccc(cc2)Br 34a_100000185759_100000045678 [0,2,0,0,0,0|1,0,0]=3 12591 B17R2.496 Clc1ncccc1COc2ccc(cc2)Br 7a_100000185759_100000045678 [0,2,0,0,0,0|1,0,0]=3 12592 B17R2.496 Clc1ncccc1COc2ccc(cc2)I 34a_100000212066_100000045678 [0,2,0,0,0,0|1,0,0]=3 12593 B17R2.496 Clc1ncccc1COc2ccc(cc2)I 7a_100000212066_100000045678 [0,2,0,0,0,0|1,0,0]=3 12594 B17R2.496 Clc1ncccc1COc2ccc(nc2)Br 34a_100000685995_100000045678 [0,2,0,0,0,0|2,0,0]=4 12595 B17R2.496 Clc1ncccc1COc2ccc(nc2)Br 7a_100000685995_100000045678 [0,2,0,0,0,0|2,0,0]=4 12596 B17R2.496 Clc1ncccc1COc2ccc(nc2)I 34a_100000687607_100000045678 [0,2,0,0,0,0|2,0,0]=4 12597 B17R2.496 Clc1ncccc1COc2ccc(nc2)I 7a_100000687607_100000045678 [0,2,0,0,0,0|2,0,0]=4 12598 B17R2.496 Clc1ncccc1CSc2ccc(cc2)Br 62a_100000045678_100000752885 [0,2,0,0,0,0|1,0,0]=3 12599 B17R2.496 Clc1ncccc1CSc2ccc(cc2)Br 62a_100000752885_100000045678 [0,2,0,0,0,0|1,0,0]=3 12600 B17R2.496 Clc1ncccc1CSc2ccc(cn2)Br 62a_100000045678_100000686858 [0,2,0,0,0,0|2,0,0]=4 12601 B17R2.496 Clc1ncccc1CSc2ccc(cn2)Br 62a_100000686858_100000045678 [0,2,0,0,0,0|2,0,0]=4 12602 B17R2.496 Clc1ncccc1CSc2ccc(nc2)Br 62a_100000045678_100009814638 [0,2,0,0,0,0|2,0,0]=4 12603 B17R2.496 Clc1ncccc1CSc2ccc(nc2)Br 62a_100009814638_100000045678 [0,2,0,0,0,0|2,0,0]=4 12604 B17R2.496 Clc1ncccc1OCc2ccc(cc2)Br 34a_100000757616_100000189115 [0,2,0,0,0,0|2,0,0]=4 12605 B17R2.496 Clc1ncccc1OCc2ccc(cc2)Br 7a_100000757616_100011217064 [0,2,0,0,0,0|2,0,0]=4 12606 B17R2.496 Clc1ncccc1OCc2ccc(cc2)I 34a_100000757616_100000189116 [0,2,0,0,0,0|2,0,0]=4 12607 B17R2.496 Clc1ncccc1OCc2ccc(cc2)I 7a_100000757616_100000189116 [0,2,0,0,0,0|2,0,0]=4 12608 B17R2.496 Clc1ncccc1OCc2ccc(nc2)Br 34a_100000757616_100009831999 [0,2,0,0,0,0|2,0,0]=4 12609 B17R2.496 Clc1ncccc1OCc2ccc(nc2)Br 7a_100000757616_100009831999 [0,2,0,0,0,0|2,0,0]=4 12610 B17R2.496 Clc1ncccc1SCc2ccc(cc2)Br 62a_100000036424_100000189115 [0,2,0,0,0,0|2,0,0]=4 12611 B17R2.496 Clc1ncccc1SCc2ccc(cc2)Br 62a_100000189115_100000036424 [0,2,0,0,0,0|2,0,0]=4 12612 B17R2.496 Clc1ncccc1SCc2ccc(cc2)I 62a_100000036424_100000189116 [0,2,0,0,0,0|2,0,0]=4 12613 B17R2.496 Clc1ncccc1SCc2ccc(cc2)I 62a_100000189116_100000036424 [0,2,0,0,0,0|2,0,0]=4 12614 B17R2.496 Clc1ncccc1SCc2ccc(nc2)Br 62a_100000036424_100009831999 [0,2,0,0,0,0|2,0,0]=4 12615 B17R2.496 Clc1ncccc1SCc2ccc(nc2)Br 62a_100009831999_100000036424 [0,2,0,0,0,0|2,0,0]=4 12616 B17R2.496 Clc1nccnc1CNc2ccc(cn2)Br 27a_100000729963_100000686858 [0,2,0,0,0,0|2,0,0]=4 12617 B17R2.496 Fc1ccc(cc1)C=Cc2cccnc2Br 271570a_100102525539_100010202626 [0,2,0,0,0,0|1,0,1]=4 12618 B17R2.496 Fc1ccc(cc1)C=Cc2cccnc2Cl 271570a_100102525539_100000036424 [0,2,0,0,0,0|1,0,1]=4 12619 B17R2.496 Fc1ccc(cc1)C=Cc2cccnc2F 271570a_100102525539_100009816115 [0,2,0,0,0,0|1,0,1]=4 12620 B17R2.496 Fc1ccc(cc1)C=Cc2cnccc2Br 271570a_100102525539_100010138639 [0,2,0,0,0,0|1,0,1]=4 12621 B17R2.496 Fc1ccc(cc1)C=Cc2cnccc2Cl 271570a_100102525539_100009995489 [0,2,0,0,0,0|1,0,1]=4 12622 B17R2.496 Fc1ccc(cc1)C=Cc2cnccc2F 271570a_100102525539_100009820683 [0,2,0,0,0,0|1,0,1]=4 12623 B17R2.496 Fc1ccc(cc1)CNc2ccccc2Br 207a_100000210017_100000210084 [0,2,0,0,0,0|1,0,0]=3 12624 B17R2.496 Fc1ccc(cc1)CNc2ccccc2Br 34a_100000210017_100000198546 [0,2,0,0,0,0|1,0,0]=3 12625 B17R2.496 Fc1ccc(cc1)CNc2ccccc2Cl 207a_100000185783_100000210084 [0,2,0,0,0,0|1,0,0]=3 12626 B17R2.496 Fc1ccc(cc1)CNc2ccccc2Cl 34a_100000185783_100000198546 [0,2,0,0,0,0|1,0,0]=3 12627 B17R2.496 Fc1ccc(cc1)CNc2ccccc2F 207a_100000210422_100000210084 [0,2,0,0,0,0|1,0,0]=3 12628 B17R2.496 Fc1ccc(cc1)CNc2ccccc2F 34a_100000210422_100000198546 [0,2,0,0,0,0|1,0,0]=3 12629 B17R2.496 Fc1ccc(cc1)CNc2ccccc2I 207a_100000210053_100000210084 [0,2,0,0,0,0|1,0,0]=3 12630 B17R2.496 Fc1ccc(cc1)CNc2ccccc2I 34a_100000210053_100000198546 [0,2,0,0,0,0|1,0,0]=3 12631 B17R2.496 Fc1ccc(cc1)CNc2ccncc2Br 27a_100000174882_100000726257 [0,2,0,0,0,0|2,0,0]=4 12632 B17R2.496 Fc1ccc(cc1)CNc2ccncc2F 27a_100000174882_100000035921 [0,2,0,0,0,0|2,0,0]=4 12633 B17R2.496 Fc1ccc(cc1)CNc2ncccc2Br 27a_100000174882_100000696092 [0,2,0,0,0,0|2,0,0]=4 12634 B17R2.496 Fc1ccc(cc1)COc2ccccc2Br 34a_100000181306_100000198546 [0,2,0,0,0,0|2,0,0]=4 12635 B17R2.496 Fc1ccc(cc1)COc2ccccc2Br 7a_100000181306_100000198546 [0,2,0,0,0,0|2,0,0]=4 12636 B17R2.496 Fc1ccc(cc1)COc2ccccc2Cl 34a_100000210172_100000198546 [0,2,0,0,0,0|2,0,0]=4 12637 B17R2.496 Fc1ccc(cc1)COc2ccccc2Cl 7a_100000210172_100000198546 [0,2,0,0,0,0|2,0,0]=4 12638 B17R2.496 Fc1ccc(cc1)COc2ccccc2F 34a_100000210171_100000198546 [0,2,0,0,0,0|2,0,0]=4 12639 B17R2.496 Fc1ccc(cc1)COc2ccccc2F 7a_100000210171_100000198546 [0,2,0,0,0,0|2,0,0]=4 12640 B17R2.496 Fc1ccc(cc1)COc2ccccc2I 34a_100000739446_100000198546 [0,2,0,0,0,0|2,0,0]=4 12641 B17R2.496 Fc1ccc(cc1)COc2ccccc2I 7a_100000739446_100000198546 [0,2,0,0,0,0|2,0,0]=4 12642 B17R2.496 Fc1ccc(cc1)COc2cccnc2Br 34a_100000744436_100000198546 [0,2,0,0,0,0|2,0,0]=4 12643 B17R2.496 Fc1ccc(cc1)COc2cccnc2Br 7a_100000744436_100000198546 [0,2,0,0,0,0|2,0,0]=4 12644 B17R2.496 Fc1ccc(cc1)COc2cccnc2Cl 34a_100000757616_100000198546 [0,2,0,0,0,0|2,0,0]=4 12645 B17R2.496 Fc1ccc(cc1)COc2cccnc2Cl 7a_100000757616_100000198546 [0,2,0,0,0,0|2,0,0]=4 12646 B17R2.496 Fc1ccc(cc1)COc2cccnc2F 34a_100000061740_100000198546 [0,2,0,0,0,0|2,0,0]=4 12647 B17R2.496 Fc1ccc(cc1)COc2cccnc2F 7a_100000061740_100000198546 [0,2,0,0,0,0|2,0,0]=4 12648 B17R2.496 Fc1ccc(cc1)COc2cccnc2I 34a_100000034122_100000198546 [0,2,0,0,0,0|2,0,0]=4 12649 B17R2.496 Fc1ccc(cc1)COc2cccnc2I 7a_100000034122_100000198546 [0,2,0,0,0,0|2,0,0]=4 12650 B17R2.496 Fc1ccc(cc1)COc2cnccc2Cl 34a_100011996695_100000198546 [0,2,0,0,0,0|2,0,0]=4 12651 B17R2.496 Fc1ccc(cc1)COc2cnccc2I 34a_100000050107_100000198546 [0,2,0,0,0,0|2,0,0]=4 12652 B17R2.496 Fc1ccc(cc1)CSc2ccccc2Br 62a_100000198546_100000695589 [0,2,0,0,0,0|2,0,0]=4 12653 B17R2.496 Fc1ccc(cc1)CSc2ccccc2Br 62a_100000695589_100000187164 [0,2,0,0,0,0|2,0,0]=4 12654 B17R2.496 Fc1ccc(cc1)CSc2ccccc2Cl 62a_100000198546_100000764095 [0,2,0,0,0,0|2,0,0]=4 12655 B17R2.496 Fc1ccc(cc1)CSc2ccccc2Cl 62a_100000764095_100000187164 [0,2,0,0,0,0|2,0,0]=4 12656 B17R2.496 Fc1ccc(cc1)CSc2ccccc2F 62a_100000198546_100011215700 [0,2,0,0,0,0|2,0,0]=4 12657 B17R2.496 Fc1ccc(cc1)CSc2ccccc2F 62a_100011215700_100000187164 [0,2,0,0,0,0|2,0,0]=4 12658 B17R2.496 Fc1ccc(cc1)CSc2cccnc2Br 62a_100000198546_100010202626 [0,2,0,0,0,0|2,0,0]=4 12659 B17R2.496 Fc1ccc(cc1)CSc2cccnc2Br 62a_100010202626_100000187164 [0,2,0,0,0,0|2,0,0]=4 12660 B17R2.496 Fc1ccc(cc1)CSc2cccnc2Cl 62a_100000036424_100000187164 [0,2,0,0,0,0|2,0,0]=4 12661 B17R2.496 Fc1ccc(cc1)CSc2cccnc2Cl 62a_100000198546_100000036424 [0,2,0,0,0,0|2,0,0]=4 12662 B17R2.496 Fc1ccc(cc1)CSc2cccnc2F 62a_100000198546_100009816115 [0,2,0,0,0,0|2,0,0]=4 12663 B17R2.496 Fc1ccc(cc1)CSc2cccnc2F 62a_100009816115_100000187164 [0,2,0,0,0,0|2,0,0]=4 12664 B17R2.496 Fc1ccc(cc1)CSc2cnccc2Br 62a_100000198546_100010138639 [0,2,0,0,0,0|2,0,0]=4 12665 B17R2.496 Fc1ccc(cc1)CSc2cnccc2Br 62a_100010138639_100000187164 [0,2,0,0,0,0|2,0,0]=4 12666 B17R2.496 Fc1ccc(cc1)CSc2cnccc2Cl 62a_100000198546_100009995489 [0,2,0,0,0,0|2,0,0]=4 12667 B17R2.496 Fc1ccc(cc1)CSc2cnccc2Cl 62a_100009995489_100000187164 [0,2,0,0,0,0|2,0,0]=4 12668 B17R2.496 Fc1ccc(cc1)CSc2cnccc2F 62a_100000198546_100009820683 [0,2,0,0,0,0|2,0,0]=4 12669 B17R2.496 Fc1ccc(cc1)CSc2cnccc2F 62a_100009820683_100000187164 [0,2,0,0,0,0|2,0,0]=4 12670 B17R2.496 Fc1ccc(cc1)NCc2ccccc2Br 207a_100000185862_100000211189 [0,2,0,0,0,0|1,0,0]=3 12671 B17R2.496 Fc1ccc(cc1)NCc2ccccc2Br 270302a_100000185862_100000211189 [0,2,0,0,0,0|1,0,0]=3 12672 B17R2.496 Fc1ccc(cc1)NCc2ccccc2Br 34a_100000185862_100000184730 [0,2,0,0,0,0|1,0,0]=3 12673 B17R2.496 Fc1ccc(cc1)NCc2ccccc2Cl 207a_100000185862_100000210073 [0,2,0,0,0,0|1,0,0]=3 12674 B17R2.496 Fc1ccc(cc1)NCc2ccccc2Cl 270302a_100000185862_100000210073 [0,2,0,0,0,0|1,0,0]=3 12675 B17R2.496 Fc1ccc(cc1)NCc2ccccc2Cl 34a_100000185862_100000187162 [0,2,0,0,0,0|1,0,0]=3 12676 B17R2.496 Fc1ccc(cc1)NCc2ccccc2F 207a_100000185862_100000210811 [0,2,0,0,0,0|1,0,0]=3 12677 B17R2.496 Fc1ccc(cc1)NCc2ccccc2F 270302a_100000185862_100000210811 [0,2,0,0,0,0|1,0,0]=3 12678 B17R2.496 Fc1ccc(cc1)NCc2ccccc2F 34a_100000185862_100000211605 [0,2,0,0,0,0|1,0,0]=3 12679 B17R2.496 Fc1ccc(cc1)NCc2ccccc2I 207a_100000185862_100000010305 [0,2,0,0,0,0|1,0,0]=3 12680 B17R2.496 Fc1ccc(cc1)NCc2ccccc2I 34a_100000185862_100011215278 [0,2,0,0,0,0|1,0,0]=3 12681 B17R2.496 Fc1ccc(cc1)NCc2cccnc2Br 34a_100000185862_100010140945 [0,2,0,0,0,0|0,0,0]=2 12682 B17R2.496 Fc1ccc(cc1)NCc2cccnc2Cl 34a_100000185862_100000045678 [0,2,0,0,0,0|0,0,0]=2 12683 B17R2.496 Fc1ccc(cc1)NCc2cccnc2F 34a_100000185862_100000099810 [0,2,0,0,0,0|0,0,0]=2 12684 B17R2.496 Fc1ccc(cc1)NCc2ccncc2Cl 207a_100000185862_100011934409 [0,2,0,0,0,0|2,0,0]=4 12685 B17R2.496 Fc1ccc(cc1)NCc2ncccc2Br 207a_100000185862_100011934733 [0,2,0,0,0,0|2,0,0]=4 12686 B17R2.496 Fc1ccc(cc1)NCc2ncccc2Br 34a_100000185862_100025702911 [0,2,0,0,0,0|2,0,0]=4 12687 B17R2.496 Fc1ccc(cc1)NCc2ncccc2Cl 207a_100000185862_100012001307 [0,2,0,0,0,0|2,0,0]=4 12688 B17R2.496 Fc1ccc(cc1)NCc2ncccc2F 207a_100000185862_100011934734 [0,2,0,0,0,0|2,0,0]=4 12689 B17R2.496 Fc1ccc(cc1)NCc2ncccc2F 34a_100000185862_100000104219 [0,2,0,0,0,0|2,0,0]=4 12690 B17R2.496 Fc1ccc(cc1)OCc2ccccc2Br 34a_100000210339_100000184730 [0,2,0,0,0,0|2,0,0]=4 12691 B17R2.496 Fc1ccc(cc1)OCc2ccccc2Cl 34a_100000210339_100000187162 [0,2,0,0,0,0|2,0,0]=4 12692 B17R2.496 Fc1ccc(cc1)OCc2ccccc2F 34a_100000210339_100000211605 [0,2,0,0,0,0|2,0,0]=4 12693 B17R2.496 Fc1ccc(cc1)OCc2ccccc2I 34a_100000210339_100011215278 [0,2,0,0,0,0|2,0,0]=4 12694 B17R2.496 Fc1ccc(cc1)OCc2cccnc2Br 34a_100000210339_100010140945 [0,2,0,0,0,0|1,0,0]=3 12695 B17R2.496 Fc1ccc(cc1)OCc2cccnc2Cl 34a_100000210339_100000045678 [0,2,0,0,0,0|1,0,0]=3 12696 B17R2.496 Fc1ccc(cc1)OCc2cccnc2F 34a_100000210339_100000099810 [0,2,0,0,0,0|1,0,0]=3 12697 B17R2.496 Fc1ccc(cc1)SCc2ccccc2Br 62a_100000184730_100000211213 [0,2,0,0,0,0|2,0,0]=4 12698 B17R2.496 Fc1ccc(cc1)SCc2ccccc2Br 62a_100000211213_100000184730 [0,2,0,0,0,0|2,0,0]=4 12699 B17R2.496 Fc1ccc(cc1)SCc2ccccc2Cl 62a_100000187162_100000211213 [0,2,0,0,0,0|2,0,0]=4 12700 B17R2.496 Fc1ccc(cc1)SCc2ccccc2Cl 62a_100000211213_100000187162 [0,2,0,0,0,0|2,0,0]=4 12701 B17R2.496 Fc1ccc(cc1)SCc2ccccc2F 62a_100000211213_100000211605 [0,2,0,0,0,0|2,0,0]=4 12702 B17R2.496 Fc1ccc(cc1)SCc2ccccc2F 62a_100000211605_100000211213 [0,2,0,0,0,0|2,0,0]=4 12703 B17R2.496 Fc1ccc(cc1)SCc2ccccc2I 62a_100000211213_100011216222 [0,2,0,0,0,0|2,0,0]=4 12704 B17R2.496 Fc1ccc(cc1)SCc2ccccc2I 62a_100011216222_100000211213 [0,2,0,0,0,0|2,0,0]=4 12705 B17R2.496 Fc1ccc(cc1)SCc2cccnc2Br 62a_100000211213_100010140945 [0,2,0,0,0,0|1,0,0]=3 12706 B17R2.496 Fc1ccc(cc1)SCc2cccnc2Br 62a_100010140945_100000211213 [0,2,0,0,0,0|1,0,0]=3 12707 B17R2.496 Fc1ccc(cc1)SCc2cccnc2Cl 62a_100000045678_100000211213 [0,2,0,0,0,0|1,0,0]=3 12708 B17R2.496 Fc1ccc(cc1)SCc2cccnc2Cl 62a_100000211213_100000045678 [0,2,0,0,0,0|1,0,0]=3 12709 B17R2.496 Fc1ccc(cc1)SCc2cccnc2F 62a_100000099810_100000211213 [0,2,0,0,0,0|1,0,0]=3 12710 B17R2.496 Fc1ccc(cc1)SCc2cccnc2F 62a_100000211213_100000099810 [0,2,0,0,0,0|1,0,0]=3 12711 B17R2.496 Fc1ccc(cn1)C=Cc2ccccc2F 271570a_200102527919_100000748661 [0,2,0,0,0,0|1,0,1]=4 12712 B17R2.496 Fc1ccc(cn1)CNc2ccccc2Br 34a_100000210017_100000099788 [0,2,0,0,0,0|0,0,0]=2 12713 B17R2.496 Fc1ccc(cn1)CNc2ccccc2Cl 34a_100000185783_100000099788 [0,2,0,0,0,0|0,0,0]=2 12714 B17R2.496 Fc1ccc(cn1)CNc2ccccc2F 34a_100000210422_100000099788 [0,2,0,0,0,0|0,0,0]=2 12715 B17R2.496 Fc1ccc(cn1)CNc2ccccc2I 34a_100000210053_100000099788 [0,2,0,0,0,0|0,0,0]=2 12716 B17R2.496 Fc1ccc(cn1)CNc2ccncc2Br 27a_100000101913_100000726257 [0,2,0,0,0,0|1,0,0]=3 12717 B17R2.496 Fc1ccc(cn1)CNc2ccncc2F 27a_100000101913_100000035921 [0,2,0,0,0,0|1,0,0]=3 12718 B17R2.496 Fc1ccc(cn1)CNc2ncccc2Br 27a_100000101913_100000696092 [0,2,0,0,0,0|1,0,0]=3 12719 B17R2.496 Fc1ccc(cn1)CNc2nccnc2F 27a_100000101913_200010125657 [0,2,0,0,0,0|2,0,0]=4 12720 B17R2.496 Fc1ccc(cn1)CNc2ncncc2F 27a_100000101913_100000069762 [0,2,0,0,0,0|2,0,0]=4 12721 B17R2.496 Fc1ccc(cn1)COc2ccccc2Br 34a_100000181306_100000099788 [0,2,0,0,0,0|1,0,0]=3 12722 B17R2.496 Fc1ccc(cn1)COc2ccccc2Br 7a_100000181306_100009820150 [0,2,0,0,0,0|1,0,0]=3 12723 B17R2.496 Fc1ccc(cn1)COc2ccccc2Cl 34a_100000210172_100000099788 [0,2,0,0,0,0|1,0,0]=3 12724 B17R2.496 Fc1ccc(cn1)COc2ccccc2Cl 7a_100000210172_100009820150 [0,2,0,0,0,0|1,0,0]=3 12725 B17R2.496 Fc1ccc(cn1)COc2ccccc2F 34a_100000210171_100000099788 [0,2,0,0,0,0|1,0,0]=3 12726 B17R2.496 Fc1ccc(cn1)COc2ccccc2F 7a_100000210171_100009820150 [0,2,0,0,0,0|1,0,0]=3 12727 B17R2.496 Fc1ccc(cn1)COc2ccccc2I 34a_100000739446_100000099788 [0,2,0,0,0,0|1,0,0]=3 12728 B17R2.496 Fc1ccc(cn1)COc2ccccc2I 7a_100000739446_100009820150 [0,2,0,0,0,0|1,0,0]=3 12729 B17R2.496 Fc1ccc(cn1)COc2cccnc2Br 34a_100000744436_100000099788 [0,2,0,0,0,0|2,0,0]=4 12730 B17R2.496 Fc1ccc(cn1)COc2cccnc2Br 7a_100000744436_100009820150 [0,2,0,0,0,0|2,0,0]=4 12731 B17R2.496 Fc1ccc(cn1)COc2cccnc2Cl 34a_100000757616_100000099788 [0,2,0,0,0,0|2,0,0]=4 12732 B17R2.496 Fc1ccc(cn1)COc2cccnc2Cl 7a_100000757616_100009820150 [0,2,0,0,0,0|2,0,0]=4 12733 B17R2.496 Fc1ccc(cn1)COc2cccnc2F 34a_100000061740_100000099788 [0,2,0,0,0,0|2,0,0]=4 12734 B17R2.496 Fc1ccc(cn1)COc2cccnc2F 7a_100000061740_100009820150 [0,2,0,0,0,0|2,0,0]=4 12735 B17R2.496 Fc1ccc(cn1)COc2cccnc2I 34a_100000034122_100000099788 [0,2,0,0,0,0|2,0,0]=4 12736 B17R2.496 Fc1ccc(cn1)COc2cccnc2I 7a_100000034122_100009820150 [0,2,0,0,0,0|2,0,0]=4 12737 B17R2.496 Fc1ccc(cn1)COc2ccncc2Br 34a_100011996408_100000099788 [0,2,0,0,0,0|2,0,0]=4 12738 B17R2.496 Fc1ccc(cn1)COc2ccncc2Cl 34a_100011997054_100000099788 [0,2,0,0,0,0|2,0,0]=4 12739 B17R2.496 Fc1ccc(cn1)COc2ccncc2F 34a_200000081243_100000099788 [0,2,0,0,0,0|2,0,0]=4 12740 B17R2.496 Fc1ccc(cn1)COc2cnccc2Cl 34a_100011996695_100000099788 [0,2,0,0,0,0|2,0,0]=4 12741 B17R2.496 Fc1ccc(cn1)COc2cnccc2I 34a_100000050107_100000099788 [0,2,0,0,0,0|2,0,0]=4 12742 B17R2.496 Fc1ccc(cn1)COc2ncccc2Cl 34a_100011290957_100000099788 [0,2,0,0,0,0|2,0,0]=4 12743 B17R2.496 Fc1ccc(cn1)COc2ncccc2F 34a_100011219419_100000099788 [0,2,0,0,0,0|2,0,0]=4 12744 B17R2.496 Fc1ccc(cn1)CSc2c[nH]ccc2=S 62a_100009820150_200012280681 [0,2,0,0,0,0|2,0,0]=4 12745 B17R2.496 Fc1ccc(cn1)CSc2c[nH]ccc2=S 62a_200012280681_100000099788 [0,2,0,0,0,0|2,0,0]=4 12746 B17R2.496 Fc1ccc(cn1)CSc2ccccc2Br 62a_100000695589_100000099788 [0,2,0,0,0,0|1,0,0]=3 12747 B17R2.496 Fc1ccc(cn1)CSc2ccccc2Br 62a_100009820150_100000695589 [0,2,0,0,0,0|1,0,0]=3 12748 B17R2.496 Fc1ccc(cn1)CSc2ccccc2Cl 62a_100000764095_100000099788 [0,2,0,0,0,0|1,0,0]=3 12749 B17R2.496 Fc1ccc(cn1)CSc2ccccc2Cl 62a_100009820150_100000764095 [0,2,0,0,0,0|1,0,0]=3 12750 B17R2.496 Fc1ccc(cn1)CSc2ccccc2F 62a_100009820150_100011215700 [0,2,0,0,0,0|1,0,0]=3 12751 B17R2.496 Fc1ccc(cn1)CSc2ccccc2F 62a_100011215700_100000099788 [0,2,0,0,0,0|1,0,0]=3 12752 B17R2.496 Fc1ccc(cn1)CSc2cccnc2Br 62a_100009820150_100010202626 [0,2,0,0,0,0|2,0,0]=4 12753 B17R2.496 Fc1ccc(cn1)CSc2cccnc2Br 62a_100010202626_100000099788 [0,2,0,0,0,0|2,0,0]=4 12754 B17R2.496 Fc1ccc(cn1)CSc2cccnc2Cl 62a_100000036424_100000099788 [0,2,0,0,0,0|2,0,0]=4 12755 B17R2.496 Fc1ccc(cn1)CSc2cccnc2Cl 62a_100009820150_100000036424 [0,2,0,0,0,0|2,0,0]=4 12756 B17R2.496 Fc1ccc(cn1)CSc2cccnc2F 62a_100009816115_100000099788 [0,2,0,0,0,0|2,0,0]=4 12757 B17R2.496 Fc1ccc(cn1)CSc2cccnc2F 62a_100009820150_100009816115 [0,2,0,0,0,0|2,0,0]=4 12758 B17R2.496 Fc1ccc(cn1)CSc2ccncc2Br 62a_100000726257_100000099788 [0,2,0,0,0,0|2,0,0]=4 12759 B17R2.496 Fc1ccc(cn1)CSc2ccncc2Br 62a_100009820150_100000726257 [0,2,0,0,0,0|2,0,0]=4 12760 B17R2.496 Fc1ccc(cn1)CSc2ccncc2Cl 62a_100000708259_100000099788 [0,2,0,0,0,0|2,0,0]=4 12761 B17R2.496 Fc1ccc(cn1)CSc2ccncc2Cl 62a_100009820150_100000708259 [0,2,0,0,0,0|2,0,0]=4 12762 B17R2.496 Fc1ccc(cn1)CSc2ccncc2F 62a_100000047030_100000099788 [0,2,0,0,0,0|2,0,0]=4 12763 B17R2.496 Fc1ccc(cn1)CSc2ccncc2F 62a_100009820150_100000047030 [0,2,0,0,0,0|2,0,0]=4 12764 B17R2.496 Fc1ccc(cn1)CSc2cnccc2Br 62a_100009820150_100010138639 [0,2,0,0,0,0|2,0,0]=4 12765 B17R2.496 Fc1ccc(cn1)CSc2cnccc2Br 62a_100010138639_100000099788 [0,2,0,0,0,0|2,0,0]=4 12766 B17R2.496 Fc1ccc(cn1)CSc2cnccc2Cl 62a_100009820150_100009995489 [0,2,0,0,0,0|2,0,0]=4 12767 B17R2.496 Fc1ccc(cn1)CSc2cnccc2Cl 62a_100009995489_100000099788 [0,2,0,0,0,0|2,0,0]=4 12768 B17R2.496 Fc1ccc(cn1)CSc2cnccc2F 62a_100009820150_100009820683 [0,2,0,0,0,0|2,0,0]=4 12769 B17R2.496 Fc1ccc(cn1)CSc2cnccc2F 62a_100009820683_100000099788 [0,2,0,0,0,0|2,0,0]=4 12770 B17R2.496 Fc1ccc(cn1)CSc2ncccc2Br 62a_100000696092_100000099788 [0,2,0,0,0,0|2,0,0]=4 12771 B17R2.496 Fc1ccc(cn1)CSc2ncccc2Br 62a_100009820150_100000696092 [0,2,0,0,0,0|2,0,0]=4 12772 B17R2.496 Fc1ccc(cn1)CSc2ncccc2Cl 62a_100009820150_100011356963 [0,2,0,0,0,0|2,0,0]=4 12773 B17R2.496 Fc1ccc(cn1)CSc2ncccc2Cl 62a_100011356963_100000099788 [0,2,0,0,0,0|2,0,0]=4 12774 B17R2.496 Fc1ccc(cn1)CSc2ncccc2F 62a_100000685392_100000099788 [0,2,0,0,0,0|2,0,0]=4 12775 B17R2.496 Fc1ccc(cn1)CSc2ncccc2F 62a_100009820150_100000685392 [0,2,0,0,0,0|2,0,0]=4 12776 B17R2.496 Fc1ccc(cn1)OCc2ccccc2Br 34a_100000688820_100000184730 [0,2,0,0,0,0|2,0,0]=4 12777 B17R2.496 Fc1ccc(cn1)OCc2ccccc2Br 7a_100000688820_100000184730 [0,2,0,0,0,0|2,0,0]=4 12778 B17R2.496 Fc1ccc(cn1)OCc2ccccc2Cl 34a_100000688820_100000187162 [0,2,0,0,0,0|2,0,0]=4 12779 B17R2.496 Fc1ccc(cn1)OCc2ccccc2Cl 7a_100000688820_100000187162 [0,2,0,0,0,0|2,0,0]=4 12780 B17R2.496 Fc1ccc(cn1)OCc2ccccc2F 34a_100000688820_100000211605 [0,2,0,0,0,0|2,0,0]=4 12781 B17R2.496 Fc1ccc(cn1)OCc2ccccc2F 7a_100000688820_100000211605 [0,2,0,0,0,0|2,0,0]=4 12782 B17R2.496 Fc1ccc(cn1)OCc2ccccc2I 34a_100000688820_100011215278 [0,2,0,0,0,0|2,0,0]=4 12783 B17R2.496 Fc1ccc(cn1)OCc2ccccc2I 7a_100000688820_100011215278 [0,2,0,0,0,0|2,0,0]=4 12784 B17R2.496 Fc1ccc(cn1)OCc2cccnc2Br 34a_100000688820_100010140945 [0,2,0,0,0,0|2,0,0]=4 12785 B17R2.496 Fc1ccc(cn1)OCc2cccnc2Br 7a_100000688820_100010140945 [0,2,0,0,0,0|2,0,0]=4 12786 B17R2.496 Fc1ccc(cn1)OCc2cccnc2Cl 34a_100000688820_100000045678 [0,2,0,0,0,0|2,0,0]=4 12787 B17R2.496 Fc1ccc(cn1)OCc2cccnc2Cl 7a_100000688820_100000045678 [0,2,0,0,0,0|2,0,0]=4 12788 B17R2.496 Fc1ccc(cn1)OCc2cccnc2F 34a_100000688820_100000099810 [0,2,0,0,0,0|2,0,0]=4 12789 B17R2.496 Fc1ccc(cn1)OCc2cccnc2F 7a_100000688820_100000099810 [0,2,0,0,0,0|2,0,0]=4 12790 B17R2.496 Fc1ccc(cn1)SCc2ccccc2Br 62a_100000042367_100000184730 [0,2,0,0,0,0|2,0,0]=4 12791 B17R2.496 Fc1ccc(cn1)SCc2ccccc2Br 62a_100000184730_100000042367 [0,2,0,0,0,0|2,0,0]=4 12792 B17R2.496 Fc1ccc(cn1)SCc2ccccc2Cl 62a_100000042367_100000187162 [0,2,0,0,0,0|2,0,0]=4 12793 B17R2.496 Fc1ccc(cn1)SCc2ccccc2Cl 62a_100000187162_100000042367 [0,2,0,0,0,0|2,0,0]=4 12794 B17R2.496 Fc1ccc(cn1)SCc2ccccc2F 62a_100000042367_100000211605 [0,2,0,0,0,0|2,0,0]=4 12795 B17R2.496 Fc1ccc(cn1)SCc2ccccc2F 62a_100000211605_100000042367 [0,2,0,0,0,0|2,0,0]=4 12796 B17R2.496 Fc1ccc(cn1)SCc2ccccc2I 62a_100000042367_100011216222 [0,2,0,0,0,0|2,0,0]=4 12797 B17R2.496 Fc1ccc(cn1)SCc2ccccc2I 62a_100011216222_100000042367 [0,2,0,0,0,0|2,0,0]=4 12798 B17R2.496 Fc1ccc(cn1)SCc2cccnc2Br 62a_100000042367_100010140945 [0,2,0,0,0,0|2,0,0]=4 12799 B17R2.496 Fc1ccc(cn1)SCc2cccnc2Br 62a_100010140945_100000042367 [0,2,0,0,0,0|2,0,0]=4 12800 B17R2.496 Fc1ccc(cn1)SCc2cccnc2Cl 62a_100000042367_100000045678 [0,2,0,0,0,0|2,0,0]=4 12801 B17R2.496 Fc1ccc(cn1)SCc2cccnc2Cl 62a_100000045678_100000042367 [0,2,0,0,0,0|2,0,0]=4 12802 B17R2.496 Fc1ccc(cn1)SCc2cccnc2F 62a_100000042367_100000099810 [0,2,0,0,0,0|2,0,0]=4 12803 B17R2.496 Fc1ccc(cn1)SCc2cccnc2F 62a_100000099810_100000042367 [0,2,0,0,0,0|2,0,0]=4 12804 B17R2.496 Fc1ccc(nc1)CNc2ccccc2Br 207a_100000210017_100011934744 [0,2,0,0,0,0|2,0,0]=4 12805 B17R2.496 Fc1ccc(nc1)CNc2ccccc2Br 34a_100000210017_100000703193 [0,2,0,0,0,0|2,0,0]=4 12806 B17R2.496 Fc1ccc(nc1)CNc2ccccc2Cl 207a_100000185783_100011934744 [0,2,0,0,0,0|2,0,0]=4 12807 B17R2.496 Fc1ccc(nc1)CNc2ccccc2Cl 34a_100000185783_100000703193 [0,2,0,0,0,0|2,0,0]=4 12808 B17R2.496 Fc1ccc(nc1)CNc2ccccc2F 207a_100000210422_100011934744 [0,2,0,0,0,0|2,0,0]=4 12809 B17R2.496 Fc1ccc(nc1)CNc2ccccc2F 34a_100000210422_100000703193 [0,2,0,0,0,0|2,0,0]=4 12810 B17R2.496 Fc1ccc(nc1)CNc2ccccc2I 207a_100000210053_100011934744 [0,2,0,0,0,0|2,0,0]=4 12811 B17R2.496 Fc1ccc(nc1)CNc2ccccc2I 34a_100000210053_100000703193 [0,2,0,0,0,0|2,0,0]=4 12812 B17R2.496 Fc1ccc(nc1)OCc2cccnc2Br 34a_100000742473_100010140945 [0,2,0,0,0,0|2,0,0]=4 12813 B17R2.496 Fc1ccc(nc1)OCc2cccnc2Cl 34a_100000742473_100000045678 [0,2,0,0,0,0|2,0,0]=4 12814 B17R2.496 Fc1ccc(nc1)OCc2cccnc2F 34a_100000742473_100000099810 [0,2,0,0,0,0|2,0,0]=4 12815 B17R2.496 Fc1ccc(nc1)SCc2cccnc2Br 62a_100000744514_100010140945 [0,2,0,0,0,0|2,0,0]=4 12816 B17R2.496 Fc1ccc(nc1)SCc2cccnc2Br 62a_100010140945_100000744514 [0,2,0,0,0,0|2,0,0]=4 12817 B17R2.496 Fc1ccc(nc1)SCc2cccnc2Cl 62a_100000045678_100000744514 [0,2,0,0,0,0|2,0,0]=4 12818 B17R2.496 Fc1ccc(nc1)SCc2cccnc2Cl 62a_100000744514_100000045678 [0,2,0,0,0,0|2,0,0]=4 12819 B17R2.496 Fc1ccc(nc1)SCc2cccnc2F 62a_100000099810_100000744514 [0,2,0,0,0,0|2,0,0]=4 12820 B17R2.496 Fc1ccc(nc1)SCc2cccnc2F 62a_100000744514_100000099810 [0,2,0,0,0,0|2,0,0]=4 12821 B17R2.496 Fc1ccccc1C=Cc2ccc(nc2)Br 271570a_200102527919_100009814638 [0,2,0,0,0,0|1,0,1]=4 12822 B17R2.496 Fc1ccccc1C=Cc2ccc(nc2)Cl 271570a_200102527919_100000034144 [0,2,0,0,0,0|1,0,1]=4 12823 B17R2.496 Fc1ccccc1CNc2ccc(cc2)Br 207a_100000210018_100000210811 [0,2,0,0,0,0|1,0,0]=3 12824 B17R2.496 Fc1ccccc1CNc2ccc(cc2)Br 2230a_100000210018_100000211605 [0,2,0,0,0,0|1,0,0]=3 12825 B17R2.496 Fc1ccccc1CNc2ccc(cc2)Br 270302a_100000210018_100000210811 [0,2,0,0,0,0|1,0,0]=3 12826 B17R2.496 Fc1ccccc1CNc2ccc(cc2)Br 34a_100000210018_100000211605 [0,2,0,0,0,0|1,0,0]=3 12827 B17R2.496 Fc1ccccc1CNc2ccc(cc2)Cl 207a_100000210052_100000210811 [0,2,0,0,0,0|1,0,0]=3 12828 B17R2.496 Fc1ccccc1CNc2ccc(cc2)Cl 2230a_100000210052_100000211605 [0,2,0,0,0,0|1,0,0]=3 12829 B17R2.496 Fc1ccccc1CNc2ccc(cc2)Cl 270302a_100000210052_100000210811 [0,2,0,0,0,0|1,0,0]=3 12830 B17R2.496 Fc1ccccc1CNc2ccc(cc2)Cl 34a_100000210052_100000211605 [0,2,0,0,0,0|1,0,0]=3 12831 B17R2.496 Fc1ccccc1CNc2ccc(cc2)I 207a_100000185761_100000210811 [0,2,0,0,0,0|1,0,0]=3 12832 B17R2.496 Fc1ccccc1CNc2ccc(cc2)I 270302a_100000185761_100000210811 [0,2,0,0,0,0|1,0,0]=3 12833 B17R2.496 Fc1ccccc1CNc2ccc(cc2)I 34a_100000185761_100000211605 [0,2,0,0,0,0|1,0,0]=3 12834 B17R2.496 Fc1ccccc1CNc2ccc(cn2)Br 27a_100000174869_100000686858 [0,2,0,0,0,0|2,0,0]=4 12835 B17R2.496 Fc1ccccc1COc2ccc(cc2)Br 34a_100000185759_100000211605 [0,2,0,0,0,0|2,0,0]=4 12836 B17R2.496 Fc1ccccc1COc2ccc(cc2)Br 7a_100000185759_100000211605 [0,2,0,0,0,0|2,0,0]=4 12837 B17R2.496 Fc1ccccc1COc2ccc(cc2)Cl 34a_100000210216_100000211605 [0,2,0,0,0,0|2,0,0]=4 12838 B17R2.496 Fc1ccccc1COc2ccc(cc2)Cl 7a_100000210216_100000211605 [0,2,0,0,0,0|2,0,0]=4 12839 B17R2.496 Fc1ccccc1COc2ccc(cc2)I 34a_100000212066_100000211605 [0,2,0,0,0,0|2,0,0]=4 12840 B17R2.496 Fc1ccccc1COc2ccc(cc2)I 7a_100000212066_100000211605 [0,2,0,0,0,0|2,0,0]=4 12841 B17R2.496 Fc1ccccc1COc2ccc(nc2)Br 34a_100000685995_100000211605 [0,2,0,0,0,0|2,0,0]=4 12842 B17R2.496 Fc1ccccc1COc2ccc(nc2)Br 7a_100000685995_100000211605 [0,2,0,0,0,0|2,0,0]=4 12843 B17R2.496 Fc1ccccc1COc2ccc(nc2)Cl 34a_100000744096_100000211605 [0,2,0,0,0,0|2,0,0]=4 12844 B17R2.496 Fc1ccccc1COc2ccc(nc2)Cl 7a_100000744096_100000211605 [0,2,0,0,0,0|2,0,0]=4 12845 B17R2.496 Fc1ccccc1COc2ccc(nc2)I 34a_100000687607_100000211605 [0,2,0,0,0,0|2,0,0]=4 12846 B17R2.496 Fc1ccccc1COc2ccc(nc2)I 7a_100000687607_100000211605 [0,2,0,0,0,0|2,0,0]=4 12847 B17R2.496 Fc1ccccc1CSc2ccc(cc2)Br 62a_100000211605_100000752885 [0,2,0,0,0,0|2,0,0]=4 12848 B17R2.496 Fc1ccccc1CSc2ccc(cc2)Br 62a_100000752885_100000211605 [0,2,0,0,0,0|2,0,0]=4 12849 B17R2.496 Fc1ccccc1CSc2ccc(cc2)Cl 62a_100000211605_100000755918 [0,2,0,0,0,0|2,0,0]=4 12850 B17R2.496 Fc1ccccc1CSc2ccc(cc2)Cl 62a_100000755918_100000211605 [0,2,0,0,0,0|2,0,0]=4 12851 B17R2.496 Fc1ccccc1CSc2ccc(nc2)Br 62a_100000211605_100009814638 [0,2,0,0,0,0|2,0,0]=4 12852 B17R2.496 Fc1ccccc1CSc2ccc(nc2)Br 62a_100009814638_100000211605 [0,2,0,0,0,0|2,0,0]=4 12853 B17R2.496 Fc1ccccc1CSc2ccc(nc2)Cl 62a_100000034144_100000211605 [0,2,0,0,0,0|2,0,0]=4 12854 B17R2.496 Fc1ccccc1CSc2ccc(nc2)Cl 62a_100000211605_100000034144 [0,2,0,0,0,0|2,0,0]=4 12855 B17R2.496 Fc1ccccc1NCc2ccc(cc2)Br 207a_100000210422_100000186029 [0,2,0,0,0,0|1,0,0]=3 12856 B17R2.496 Fc1ccccc1NCc2ccc(cc2)Br 34a_100000210422_100000189115 [0,2,0,0,0,0|1,0,0]=3 12857 B17R2.496 Fc1ccccc1NCc2ccc(cc2)Cl 207a_100000210422_100000189385 [0,2,0,0,0,0|1,0,0]=3 12858 B17R2.496 Fc1ccccc1NCc2ccc(cc2)Cl 34a_100000210422_100000694040 [0,2,0,0,0,0|1,0,0]=3 12859 B17R2.496 Fc1ccccc1NCc2ccc(cc2)I 207a_100000210422_100000188517 [0,2,0,0,0,0|1,0,0]=3 12860 B17R2.496 Fc1ccccc1NCc2ccc(cc2)I 34a_100000210422_100000189116 [0,2,0,0,0,0|1,0,0]=3 12861 B17R2.496 Fc1ccccc1NCc2ccc(cn2)Br 207a_100000210422_100000754260 [0,2,0,0,0,0|2,0,0]=4 12862 B17R2.496 Fc1ccccc1NCc2ccc(cn2)Br 34a_100000210422_100000702658 [0,2,0,0,0,0|2,0,0]=4 12863 B17R2.496 Fc1ccccc1NCc2ccc(cn2)Cl 207a_100000210422_100011361569 [0,2,0,0,0,0|2,0,0]=4 12864 B17R2.496 Fc1ccccc1NCc2ccc(cn2)Cl 34a_100000210422_100012066911 [0,2,0,0,0,0|2,0,0]=4 12865 B17R2.496 Fc1ccccc1NCc2ccc(nc2)Br 34a_100000210422_100009831999 [0,2,0,0,0,0|0,0,0]=2 12866 B17R2.496 Fc1ccccc1NCc2ccc(nc2)Cl 34a_100000210422_100000735431 [0,2,0,0,0,0|0,0,0]=2 12867 B17R2.496 Fc1ccccc1NCc2ccc(nn2)Cl 34a_100000210422_100016992710 [0,2,0,0,0,0|1,0,0]=3 12868 B17R2.496 Fc1ccccc1OCc2ccc(cc2)Br 34a_100000210171_100000189115 [0,2,0,0,0,0|2,0,0]=4 12869 B17R2.496 Fc1ccccc1OCc2ccc(cc2)Br 7a_100000210171_100011217064 [0,2,0,0,0,0|2,0,0]=4 12870 B17R2.496 Fc1ccccc1OCc2ccc(cc2)Cl 34a_100000210171_100000694040 [0,2,0,0,0,0|2,0,0]=4 12871 B17R2.496 Fc1ccccc1OCc2ccc(cc2)Cl 7a_100000210171_100000187161 [0,2,0,0,0,0|2,0,0]=4 12872 B17R2.496 Fc1ccccc1OCc2ccc(cc2)I 34a_100000210171_100000189116 [0,2,0,0,0,0|2,0,0]=4 12873 B17R2.496 Fc1ccccc1OCc2ccc(cc2)I 7a_100000210171_100000189116 [0,2,0,0,0,0|2,0,0]=4 12874 B17R2.496 Fc1ccccc1OCc2ccc(nc2)Br 34a_100000210171_100009831999 [0,2,0,0,0,0|1,0,0]=3 12875 B17R2.496 Fc1ccccc1OCc2ccc(nc2)Br 7a_100000210171_100009831999 [0,2,0,0,0,0|1,0,0]=3 12876 B17R2.496 Fc1ccccc1OCc2ccc(nc2)Cl 34a_100000210171_100000735431 [0,2,0,0,0,0|1,0,0]=3 12877 B17R2.496 Fc1ccccc1OCc2ccc(nc2)Cl 7a_100000210171_100000735431 [0,2,0,0,0,0|1,0,0]=3 12878 B17R2.496 Fc1ccccc1OCc2ccc(nn2)Cl 34a_100000210171_100016992710 [0,2,0,0,0,0|2,0,0]=4 12879 B17R2.496 Fc1ccccc1OCc2ccc(nn2)Cl 7a_100000210171_100016992710 [0,2,0,0,0,0|2,0,0]=4 12880 B17R2.496 Fc1ccccc1SCc2ccc(cc2)Br 62a_100000189115_100011215700 [0,2,0,0,0,0|2,0,0]=4 12881 B17R2.496 Fc1ccccc1SCc2ccc(cc2)Br 62a_100011215700_100000189115 [0,2,0,0,0,0|2,0,0]=4 12882 B17R2.496 Fc1ccccc1SCc2ccc(cc2)Cl 62a_100000187161_100011215700 [0,2,0,0,0,0|2,0,0]=4 12883 B17R2.496 Fc1ccccc1SCc2ccc(cc2)Cl 62a_100011215700_100000187161 [0,2,0,0,0,0|2,0,0]=4 12884 B17R2.496 Fc1ccccc1SCc2ccc(cc2)I 62a_100000189116_100011215700 [0,2,0,0,0,0|2,0,0]=4 12885 B17R2.496 Fc1ccccc1SCc2ccc(cc2)I 62a_100011215700_100000189116 [0,2,0,0,0,0|2,0,0]=4 12886 B17R2.496 Fc1ccccc1SCc2ccc(nc2)Br 62a_100009831999_100011215700 [0,2,0,0,0,0|1,0,0]=3 12887 B17R2.496 Fc1ccccc1SCc2ccc(nc2)Br 62a_100011215700_100009831999 [0,2,0,0,0,0|1,0,0]=3 12888 B17R2.496 Fc1ccccc1SCc2ccc(nc2)Cl 62a_100000735431_100011215700 [0,2,0,0,0,0|1,0,0]=3 12889 B17R2.496 Fc1ccccc1SCc2ccc(nc2)Cl 62a_100011215700_100000735431 [0,2,0,0,0,0|1,0,0]=3 12890 B17R2.496 Fc1ccccc1SCc2ccc(nn2)Cl 62a_100011215700_100016992710 [0,2,0,0,0,0|2,0,0]=4 12891 B17R2.496 Fc1ccccc1SCc2ccc(nn2)Cl 62a_100016992710_100011215700 [0,2,0,0,0,0|2,0,0]=4 12892 B17R2.496 Fc1cccnc1CNc2ccc(cc2)Br 207a_100000210018_100011934734 [0,2,0,0,0,0|2,0,0]=4 12893 B17R2.496 Fc1cccnc1CNc2ccc(cc2)Br 2230a_100000210018_100000104219 [0,2,0,0,0,0|2,0,0]=4 12894 B17R2.496 Fc1cccnc1CNc2ccc(cc2)Br 34a_100000210018_100000104219 [0,2,0,0,0,0|2,0,0]=4 12895 B17R2.496 Fc1cccnc1CNc2ccc(cc2)Cl 207a_100000210052_100011934734 [0,2,0,0,0,0|2,0,0]=4 12896 B17R2.496 Fc1cccnc1CNc2ccc(cc2)Cl 2230a_100000210052_100000104219 [0,2,0,0,0,0|2,0,0]=4 12897 B17R2.496 Fc1cccnc1CNc2ccc(cc2)Cl 34a_100000210052_100000104219 [0,2,0,0,0,0|2,0,0]=4 12898 B17R2.496 Fc1cccnc1CNc2ccc(cc2)I 207a_100000185761_100011934734 [0,2,0,0,0,0|2,0,0]=4 12899 B17R2.496 Fc1cccnc1CNc2ccc(cc2)I 34a_100000185761_100000104219 [0,2,0,0,0,0|2,0,0]=4 12900 B17R2.496 Fc1cccnc1OCc2ccc(nc2)Br 34a_100011219419_100009831999 [0,2,0,0,0,0|2,0,0]=4 12901 B17R2.496 Fc1cccnc1OCc2ccc(nc2)Cl 34a_100011219419_100000735431 [0,2,0,0,0,0|2,0,0]=4 12902 B17R2.496 Fc1cccnc1SCc2ccc(nc2)Br 62a_100000685392_100009831999 [0,2,0,0,0,0|2,0,0]=4 12903 B17R2.496 Fc1cccnc1SCc2ccc(nc2)Br 62a_100009831999_100000685392 [0,2,0,0,0,0|2,0,0]=4 12904 B17R2.496 Fc1cccnc1SCc2ccc(nc2)Cl 62a_100000685392_100000735431 [0,2,0,0,0,0|2,0,0]=4 12905 B17R2.496 Fc1cccnc1SCc2ccc(nc2)Cl 62a_100000735431_100000685392 [0,2,0,0,0,0|2,0,0]=4 12906 B17R2.496 Fc1ccncc1C=Cc2ccc(cc2)Br 271570a_100102527914_100009820683 [0,2,0,0,0,0|1,0,1]=4 12907 B17R2.496 Fc1ccncc1C=Cc2ccc(cc2)Cl 271570a_100102527930_100009820683 [0,2,0,0,0,0|1,0,1]=4 12908 B17R2.496 Fc1ccncc1SCc2ccc(cc2)Br 62a_100000189115_100009820683 [0,2,0,0,0,0|2,0,0]=4 12909 B17R2.496 Fc1ccncc1SCc2ccc(cc2)Br 62a_100009820683_100000189115 [0,2,0,0,0,0|2,0,0]=4 12910 B17R2.496 Fc1ccncc1SCc2ccc(cc2)Cl 62a_100000187161_100009820683 [0,2,0,0,0,0|2,0,0]=4 12911 B17R2.496 Fc1ccncc1SCc2ccc(cc2)Cl 62a_100009820683_100000187161 [0,2,0,0,0,0|2,0,0]=4 12912 B17R2.496 Fc1ccncc1SCc2ccc(cc2)I 62a_100000189116_100009820683 [0,2,0,0,0,0|2,0,0]=4 12913 B17R2.496 Fc1ccncc1SCc2ccc(cc2)I 62a_100009820683_100000189116 [0,2,0,0,0,0|2,0,0]=4 12914 B17R2.496 Fc1ccncc1SCc2ccc(nc2)Br 62a_100009820683_100009831999 [0,2,0,0,0,0|2,0,0]=4 12915 B17R2.496 Fc1ccncc1SCc2ccc(nc2)Br 62a_100009831999_100009820683 [0,2,0,0,0,0|2,0,0]=4 12916 B17R2.496 Fc1ccncc1SCc2ccc(nc2)Cl 62a_100000735431_100009820683 [0,2,0,0,0,0|2,0,0]=4 12917 B17R2.496 Fc1ccncc1SCc2ccc(nc2)Cl 62a_100009820683_100000735431 [0,2,0,0,0,0|2,0,0]=4 12918 B17R2.496 Fc1cnc(cn1)NCc2cccnc2Br 27a_100009818023_100009856528 [0,2,0,0,0,0|2,0,0]=4 12919 B17R2.496 Fc1cnc(cn1)NCc2cccnc2Cl 27a_100015189234_100009856528 [0,2,0,0,0,0|2,0,0]=4 12920 B17R2.496 Fc1cnc(cn1)NCc2cccnc2F 27a_100000724633_100009856528 [0,2,0,0,0,0|2,0,0]=4 12921 B17R2.496 Fc1cnc(nc1)NCc2cccnc2Br 27a_100009818023_100000685220 [0,2,0,0,0,0|2,0,0]=4 12922 B17R2.496 Fc1cnc(nc1)NCc2cccnc2Cl 27a_100015189234_100000685220 [0,2,0,0,0,0|2,0,0]=4 12923 B17R2.496 Fc1cnc(nc1)NCc2cccnc2F 27a_100000724633_100000685220 [0,2,0,0,0,0|2,0,0]=4 12924 B17R2.496 Fc1cnccc1NCc2ccc(cc2)Br 27a_100000174875_100000035921 [0,2,0,0,0,0|2,0,0]=4 12925 B17R2.496 Fc1cnccc1NCc2ccc(cc2)Cl 27a_100000174871_100000035921 [0,2,0,0,0,0|2,0,0]=4 12926 B17R2.496 Fc1cnccc1NCc2ccc(cc2)I 27a_100016989417_100000035921 [0,2,0,0,0,0|2,0,0]=4 12927 B17R2.496 Fc1cnccc1NCc2ccc(nc2)Br 27a_100009817727_100000035921 [0,2,0,0,0,0|1,0,0]=3 12928 B17R2.496 Fc1cnccc1NCc2ccc(nc2)Cl 27a_100000735879_100000035921 [0,2,0,0,0,0|1,0,0]=3 12929 B17R2.496 Fc1cnccc1OCc2ccc(nc2)Br 34a_200000081243_100009831999 [0,2,0,0,0,0|2,0,0]=4 12930 B17R2.496 Fc1cnccc1OCc2ccc(nc2)Cl 34a_200000081243_100000735431 [0,2,0,0,0,0|2,0,0]=4 12931 B17R2.496 Fc1cnccc1SCc2ccc(nc2)Br 62a_100000047030_100009831999 [0,2,0,0,0,0|2,0,0]=4 12932 B17R2.496 Fc1cnccc1SCc2ccc(nc2)Br 62a_100009831999_100000047030 [0,2,0,0,0,0|2,0,0]=4 12933 B17R2.496 Fc1cnccc1SCc2ccc(nc2)Cl 62a_100000047030_100000735431 [0,2,0,0,0,0|2,0,0]=4 12934 B17R2.496 Fc1cnccc1SCc2ccc(nc2)Cl 62a_100000735431_100000047030 [0,2,0,0,0,0|2,0,0]=4 12935 B17R2.496 Fc1cncnc1NCc2ccc(nc2)Br 27a_100009817727_100000069762 [0,2,0,0,0,0|2,0,0]=4 12936 B17R2.496 Fc1cncnc1NCc2ccc(nc2)Cl 27a_100000735879_100000069762 [0,2,0,0,0,0|2,0,0]=4 12937 B17R2.496 Fc1ncccc1C=Cc2ccc(cc2)Br 271570a_100102527914_100009816115 [0,2,0,0,0,0|1,0,1]=4 12938 B17R2.496 Fc1ncccc1C=Cc2ccc(cc2)Cl 271570a_100102527930_100009816115 [0,2,0,0,0,0|1,0,1]=4 12939 B17R2.496 Fc1ncccc1CNc2ccc(cc2)Br 2230a_100000210018_100000099810 [0,2,0,0,0,0|0,0,0]=2 12940 B17R2.496 Fc1ncccc1CNc2ccc(cc2)Br 34a_100000210018_100000099810 [0,2,0,0,0,0|0,0,0]=2 12941 B17R2.496 Fc1ncccc1CNc2ccc(cc2)Cl 2230a_100000210052_100000099810 [0,2,0,0,0,0|0,0,0]=2 12942 B17R2.496 Fc1ncccc1CNc2ccc(cc2)Cl 34a_100000210052_100000099810 [0,2,0,0,0,0|0,0,0]=2 12943 B17R2.496 Fc1ncccc1CNc2ccc(cc2)I 34a_100000185761_100000099810 [0,2,0,0,0,0|0,0,0]=2 12944 B17R2.496 Fc1ncccc1CNc2ccc(cn2)Br 27a_100000724633_100000686858 [0,2,0,0,0,0|1,0,0]=3 12945 B17R2.496 Fc1ncccc1CNc2cnc(cn2)Br 27a_100000724633_100010187541 [0,2,0,0,0,0|2,0,0]=4 12946 B17R2.496 Fc1ncccc1CNc2ncc(cn2)Br 27a_100000724633_100000690281 [0,2,0,0,0,0|2,0,0]=4 12947 B17R2.496 Fc1ncccc1CNc2ncc(cn2)Cl 27a_100000724633_100011356929 [0,2,0,0,0,0|2,0,0]=4 12948 B17R2.496 Fc1ncccc1COc2ccc(cc2)Br 34a_100000185759_100000099810 [0,2,0,0,0,0|1,0,0]=3 12949 B17R2.496 Fc1ncccc1COc2ccc(cc2)Br 7a_100000185759_100000099810 [0,2,0,0,0,0|1,0,0]=3 12950 B17R2.496 Fc1ncccc1COc2ccc(cc2)Cl 34a_100000210216_100000099810 [0,2,0,0,0,0|1,0,0]=3 12951 B17R2.496 Fc1ncccc1COc2ccc(cc2)Cl 7a_100000210216_100000099810 [0,2,0,0,0,0|1,0,0]=3 12952 B17R2.496 Fc1ncccc1COc2ccc(cc2)I 34a_100000212066_100000099810 [0,2,0,0,0,0|1,0,0]=3 12953 B17R2.496 Fc1ncccc1COc2ccc(cc2)I 7a_100000212066_100000099810 [0,2,0,0,0,0|1,0,0]=3 12954 B17R2.496 Fc1ncccc1COc2ccc(cn2)Cl 34a_100011215309_100000099810 [0,2,0,0,0,0|2,0,0]=4 12955 B17R2.496 Fc1ncccc1COc2ccc(nc2)Br 34a_100000685995_100000099810 [0,2,0,0,0,0|2,0,0]=4 12956 B17R2.496 Fc1ncccc1COc2ccc(nc2)Br 7a_100000685995_100000099810 [0,2,0,0,0,0|2,0,0]=4 12957 B17R2.496 Fc1ncccc1COc2ccc(nc2)Cl 34a_100000744096_100000099810 [0,2,0,0,0,0|2,0,0]=4 12958 B17R2.496 Fc1ncccc1COc2ccc(nc2)Cl 7a_100000744096_100000099810 [0,2,0,0,0,0|2,0,0]=4 12959 B17R2.496 Fc1ncccc1COc2ccc(nc2)I 34a_100000687607_100000099810 [0,2,0,0,0,0|2,0,0]=4 12960 B17R2.496 Fc1ncccc1COc2ccc(nc2)I 7a_100000687607_100000099810 [0,2,0,0,0,0|2,0,0]=4 12961 B17R2.496 Fc1ncccc1CSc2ccc(cc2)Br 62a_100000099810_100000752885 [0,2,0,0,0,0|1,0,0]=3 12962 B17R2.496 Fc1ncccc1CSc2ccc(cc2)Br 62a_100000752885_100000099810 [0,2,0,0,0,0|1,0,0]=3 12963 B17R2.496 Fc1ncccc1CSc2ccc(cc2)Cl 62a_100000099810_100000755918 [0,2,0,0,0,0|1,0,0]=3 12964 B17R2.496 Fc1ncccc1CSc2ccc(cc2)Cl 62a_100000755918_100000099810 [0,2,0,0,0,0|1,0,0]=3 12965 B17R2.496 Fc1ncccc1CSc2ccc(cn2)Br 62a_100000099810_100000686858 [0,2,0,0,0,0|2,0,0]=4 12966 B17R2.496 Fc1ncccc1CSc2ccc(cn2)Br 62a_100000686858_100000099810 [0,2,0,0,0,0|2,0,0]=4 12967 B17R2.496 Fc1ncccc1CSc2ccc(cn2)Cl 62a_100000099810_100011356976 [0,2,0,0,0,0|2,0,0]=4 12968 B17R2.496 Fc1ncccc1CSc2ccc(cn2)Cl 62a_100011356976_100000099810 [0,2,0,0,0,0|2,0,0]=4 12969 B17R2.496 Fc1ncccc1CSc2ccc(nc2)Br 62a_100000099810_100009814638 [0,2,0,0,0,0|2,0,0]=4 12970 B17R2.496 Fc1ncccc1CSc2ccc(nc2)Br 62a_100009814638_100000099810 [0,2,0,0,0,0|2,0,0]=4 12971 B17R2.496 Fc1ncccc1CSc2ccc(nc2)Cl 62a_100000034144_100000099810 [0,2,0,0,0,0|2,0,0]=4 12972 B17R2.496 Fc1ncccc1CSc2ccc(nc2)Cl 62a_100000099810_100000034144 [0,2,0,0,0,0|2,0,0]=4 12973 B17R2.496 Fc1ncccc1OCc2ccc(cc2)Br 34a_100000061740_100000189115 [0,2,0,0,0,0|2,0,0]=4 12974 B17R2.496 Fc1ncccc1OCc2ccc(cc2)Br 7a_100000061740_100011217064 [0,2,0,0,0,0|2,0,0]=4 12975 B17R2.496 Fc1ncccc1OCc2ccc(cc2)Cl 34a_100000061740_100000694040 [0,2,0,0,0,0|2,0,0]=4 12976 B17R2.496 Fc1ncccc1OCc2ccc(cc2)Cl 7a_100000061740_100000187161 [0,2,0,0,0,0|2,0,0]=4 12977 B17R2.496 Fc1ncccc1OCc2ccc(cc2)I 34a_100000061740_100000189116 [0,2,0,0,0,0|2,0,0]=4 12978 B17R2.496 Fc1ncccc1OCc2ccc(cc2)I 7a_100000061740_100000189116 [0,2,0,0,0,0|2,0,0]=4 12979 B17R2.496 Fc1ncccc1OCc2ccc(nc2)Br 34a_100000061740_100009831999 [0,2,0,0,0,0|2,0,0]=4 12980 B17R2.496 Fc1ncccc1OCc2ccc(nc2)Br 7a_100000061740_100009831999 [0,2,0,0,0,0|2,0,0]=4 12981 B17R2.496 Fc1ncccc1OCc2ccc(nc2)Cl 34a_100000061740_100000735431 [0,2,0,0,0,0|2,0,0]=4 12982 B17R2.496 Fc1ncccc1OCc2ccc(nc2)Cl 7a_100000061740_100000735431 [0,2,0,0,0,0|2,0,0]=4 12983 B17R2.496 Fc1ncccc1SCc2ccc(cc2)Br 62a_100000189115_100009816115 [0,2,0,0,0,0|2,0,0]=4 12984 B17R2.496 Fc1ncccc1SCc2ccc(cc2)Br 62a_100009816115_100000189115 [0,2,0,0,0,0|2,0,0]=4 12985 B17R2.496 Fc1ncccc1SCc2ccc(cc2)Cl 62a_100000187161_100009816115 [0,2,0,0,0,0|2,0,0]=4 12986 B17R2.496 Fc1ncccc1SCc2ccc(cc2)Cl 62a_100009816115_100000187161 [0,2,0,0,0,0|2,0,0]=4 12987 B17R2.496 Fc1ncccc1SCc2ccc(cc2)I 62a_100000189116_100009816115 [0,2,0,0,0,0|2,0,0]=4 12988 B17R2.496 Fc1ncccc1SCc2ccc(cc2)I 62a_100009816115_100000189116 [0,2,0,0,0,0|2,0,0]=4 12989 B17R2.496 Fc1ncccc1SCc2ccc(nc2)Br 62a_100009816115_100009831999 [0,2,0,0,0,0|2,0,0]=4 12990 B17R2.496 Fc1ncccc1SCc2ccc(nc2)Br 62a_100009831999_100009816115 [0,2,0,0,0,0|2,0,0]=4 12991 B17R2.496 Fc1ncccc1SCc2ccc(nc2)Cl 62a_100000735431_100009816115 [0,2,0,0,0,0|2,0,0]=4 12992 B17R2.496 Fc1ncccc1SCc2ccc(nc2)Cl 62a_100009816115_100000735431 [0,2,0,0,0,0|2,0,0]=4 12993 B17R2.496 Fc1nccnc1NCc2ccc(nc2)Br 27a_100009817727_200010125657 [0,2,0,0,0,0|2,0,0]=4 12994 B17R2.496 Fc1nccnc1NCc2ccc(nc2)Cl 27a_100000735879_200010125657 [0,2,0,0,0,0|2,0,0]=4 12995 B17R2.496 Ic1ccc(cc1)CNc2ccccc2I 207a_100000210053_100000188517 [0,2,0,0,0,0|1,0,0]=3 12996 B17R2.496 Ic1ccc(cc1)CNc2ccccc2I 34a_100000210053_100000189116 [0,2,0,0,0,0|1,0,0]=3 12997 B17R2.496 Ic1ccc(cc1)COc2ccccc2I 34a_100000739446_100000189116 [0,2,0,0,0,0|2,0,0]=4 12998 B17R2.496 Ic1ccc(cc1)COc2ccccc2I 7a_100000739446_100000189116 [0,2,0,0,0,0|2,0,0]=4 12999 B17R2.496 Ic1ccc(cc1)COc2cccnc2I 34a_100000034122_100000189116 [0,2,0,0,0,0|2,0,0]=4 13000 B17R2.496 Ic1ccc(cc1)COc2cccnc2I 7a_100000034122_100000189116 [0,2,0,0,0,0|2,0,0]=4 13001 B17R2.496 Ic1ccc(cc1)COc2cnccc2I 34a_100000050107_100000189116 [0,2,0,0,0,0|2,0,0]=4 13002 B17R2.496 Ic1ccc(cc1)NCc2ccccc2I 207a_100000185761_100000010305 [0,2,0,0,0,0|1,0,0]=3 13003 B17R2.496 Ic1ccc(cc1)NCc2ccccc2I 34a_100000185761_100011215278 [0,2,0,0,0,0|1,0,0]=3 13004 B17R2.496 Ic1ccc(cc1)OCc2ccccc2I 34a_100000212066_100011215278 [0,2,0,0,0,0|2,0,0]=4 13005 B17R2.496 Ic1ccc(cc1)OCc2ccccc2I 7a_100000212066_100011215278 [0,2,0,0,0,0|2,0,0]=4 13006 B17R2.496 Ic1ccc(cn1)OCc2ccccc2I 34a_100000687607_100011215278 [0,2,0,0,0,0|2,0,0]=4 13007 B17R2.496 Ic1ccc(cn1)OCc2ccccc2I 7a_100000687607_100011215278 [0,2,0,0,0,0|2,0,0]=4 13008 B17R2.496 Nc1ccc(cc1)OCc2ccccc2Br 34a_100000185829_100000184730 [0,2,0,0,0,0|2,0,0]=4 13009 B17R2.496 Nc1ccc(cc1)OCc2ccccc2Cl 34a_100000185829_100000187162 [0,2,0,0,0,0|2,0,0]=4 13010 B17R2.496 Nc1ccc(cc1)OCc2ccccc2F 34a_100000185829_100000211605 [0,2,0,0,0,0|2,0,0]=4 13011 B17R2.496 Nc1ccc(cc1)OCc2ccccc2I 34a_100000185829_100011215278 [0,2,0,0,0,0|2,0,0]=4 13012 B17R2.496 Nc1ccc(cc1)OCc2cccnc2Br 34a_100000185829_100010140945 [0,2,0,0,0,0|1,0,0]=3 13013 B17R2.496 Nc1ccc(cc1)OCc2cccnc2Cl 34a_100000185829_100000045678 [0,2,0,0,0,0|1,0,0]=3 13014 B17R2.496 Nc1ccc(cc1)OCc2cccnc2F 34a_100000185829_100000099810 [0,2,0,0,0,0|1,0,0]=3 13015 B17R2.496 Nc1ccc(cc1)SCc2ccccc2Br 62a_100000184730_100000185761 [0,2,0,0,0,0|2,0,0]=4 13016 B17R2.496 Nc1ccc(cc1)SCc2ccccc2Br 62a_100000185761_100000184730 [0,2,0,0,0,0|2,0,0]=4 13017 B17R2.496 Nc1ccc(cc1)SCc2ccccc2Cl 62a_100000185761_100000187162 [0,2,0,0,0,0|2,0,0]=4 13018 B17R2.496 Nc1ccc(cc1)SCc2ccccc2Cl 62a_100000187162_100000185761 [0,2,0,0,0,0|2,0,0]=4 13019 B17R2.496 Nc1ccc(cc1)SCc2ccccc2F 62a_100000185761_100000211605 [0,2,0,0,0,0|2,0,0]=4 13020 B17R2.496 Nc1ccc(cc1)SCc2ccccc2F 62a_100000211605_100000185761 [0,2,0,0,0,0|2,0,0]=4 13021 B17R2.496 Nc1ccc(cc1)SCc2ccccc2I 62a_100000185761_100011216222 [0,2,0,0,0,0|2,0,0]=4 13022 B17R2.496 Nc1ccc(cc1)SCc2ccccc2I 62a_100011216222_100000185761 [0,2,0,0,0,0|2,0,0]=4 13023 B17R2.496 Nc1ccc(cc1)SCc2cccnc2Br 62a_100000185761_100010140945 [0,2,0,0,0,0|1,0,0]=3 13024 B17R2.496 Nc1ccc(cc1)SCc2cccnc2Br 62a_100010140945_100000185761 [0,2,0,0,0,0|1,0,0]=3 13025 B17R2.496 Nc1ccc(cc1)SCc2cccnc2Cl 62a_100000045678_100000185761 [0,2,0,0,0,0|1,0,0]=3 13026 B17R2.496 Nc1ccc(cc1)SCc2cccnc2Cl 62a_100000185761_100000045678 [0,2,0,0,0,0|1,0,0]=3 13027 B17R2.496 Nc1ccc(cc1)SCc2cccnc2F 62a_100000099810_100000185761 [0,2,0,0,0,0|1,0,0]=3 13028 B17R2.496 Nc1ccc(cc1)SCc2cccnc2F 62a_100000185761_100000099810 [0,2,0,0,0,0|1,0,0]=3 13029 B17R2.496 Nc1ccc(cn1)C=Cc2ccccc2F 271570a_200102527919_100000187370 [0,2,0,0,0,0|1,0,1]=4 13030 B17R2.496 Nc1ccc(cn1)OCc2ccccc2Br 34a_100015188713_100000184730 [0,2,0,0,0,0|2,0,0]=4 13031 B17R2.496 Nc1ccc(cn1)OCc2ccccc2Br 7a_100015188713_100000184730 [0,2,0,0,0,0|2,0,0]=4 13032 B17R2.496 Nc1ccc(cn1)OCc2ccccc2Cl 34a_100015188713_100000187162 [0,2,0,0,0,0|2,0,0]=4 13033 B17R2.496 Nc1ccc(cn1)OCc2ccccc2Cl 7a_100015188713_100000187162 [0,2,0,0,0,0|2,0,0]=4 13034 B17R2.496 Nc1ccc(cn1)OCc2ccccc2F 34a_100015188713_100000211605 [0,2,0,0,0,0|2,0,0]=4 13035 B17R2.496 Nc1ccc(cn1)OCc2ccccc2F 7a_100015188713_100000211605 [0,2,0,0,0,0|2,0,0]=4 13036 B17R2.496 Nc1ccc(cn1)OCc2ccccc2I 34a_100015188713_100011215278 [0,2,0,0,0,0|2,0,0]=4 13037 B17R2.496 Nc1ccc(cn1)OCc2ccccc2I 7a_100015188713_100011215278 [0,2,0,0,0,0|2,0,0]=4 13038 B17R2.496 Nc1ccc(cn1)OCc2cccnc2Br 34a_100015188713_100010140945 [0,2,0,0,0,0|2,0,0]=4 13039 B17R2.496 Nc1ccc(cn1)OCc2cccnc2Br 7a_100015188713_100010140945 [0,2,0,0,0,0|2,0,0]=4 13040 B17R2.496 Nc1ccc(cn1)OCc2cccnc2Cl 34a_100015188713_100000045678 [0,2,0,0,0,0|2,0,0]=4 13041 B17R2.496 Nc1ccc(cn1)OCc2cccnc2Cl 7a_100015188713_100000045678 [0,2,0,0,0,0|2,0,0]=4 13042 B17R2.496 Nc1ccc(cn1)OCc2cccnc2F 34a_100015188713_100000099810 [0,2,0,0,0,0|2,0,0]=4 13043 B17R2.496 Nc1ccc(cn1)OCc2cccnc2F 7a_100015188713_100000099810 [0,2,0,0,0,0|2,0,0]=4 13044 B17R2.496 Nc1ccc(cn1)SCc2ccccc2Br 62a_100000184730_100000187370 [0,2,0,0,0,0|2,0,0]=4 13045 B17R2.496 Nc1ccc(cn1)SCc2ccccc2Br 62a_100000187370_100000184730 [0,2,0,0,0,0|2,0,0]=4 13046 B17R2.496 Nc1ccc(cn1)SCc2ccccc2Cl 62a_100000187162_100000187370 [0,2,0,0,0,0|2,0,0]=4 13047 B17R2.496 Nc1ccc(cn1)SCc2ccccc2Cl 62a_100000187370_100000187162 [0,2,0,0,0,0|2,0,0]=4 13048 B17R2.496 Nc1ccc(cn1)SCc2ccccc2F 62a_100000187370_100000211605 [0,2,0,0,0,0|2,0,0]=4 13049 B17R2.496 Nc1ccc(cn1)SCc2ccccc2F 62a_100000211605_100000187370 [0,2,0,0,0,0|2,0,0]=4 13050 B17R2.496 Nc1ccc(cn1)SCc2ccccc2I 62a_100000187370_100011216222 [0,2,0,0,0,0|2,0,0]=4 13051 B17R2.496 Nc1ccc(cn1)SCc2ccccc2I 62a_100011216222_100000187370 [0,2,0,0,0,0|2,0,0]=4 13052 B17R2.496 Nc1ccc(cn1)SCc2cccnc2Br 62a_100000187370_100010140945 [0,2,0,0,0,0|2,0,0]=4 13053 B17R2.496 Nc1ccc(cn1)SCc2cccnc2Br 62a_100010140945_100000187370 [0,2,0,0,0,0|2,0,0]=4 13054 B17R2.496 Nc1ccc(cn1)SCc2cccnc2Cl 62a_100000045678_100000187370 [0,2,0,0,0,0|2,0,0]=4 13055 B17R2.496 Nc1ccc(cn1)SCc2cccnc2Cl 62a_100000187370_100000045678 [0,2,0,0,0,0|2,0,0]=4 13056 B17R2.496 Nc1ccc(cn1)SCc2cccnc2F 62a_100000099810_100000187370 [0,2,0,0,0,0|2,0,0]=4 13057 B17R2.496 Nc1ccc(cn1)SCc2cccnc2F 62a_100000187370_100000099810 [0,2,0,0,0,0|2,0,0]=4 13058 B17R2.496 Nc1ccc(nc1)OCc2cccnc2Br 34a_100000729260_100010140945 [0,2,0,0,0,0|2,0,0]=4 13059 B17R2.496 Nc1ccc(nc1)OCc2cccnc2Cl 34a_100000729260_100000045678 [0,2,0,0,0,0|2,0,0]=4 13060 B17R2.496 Nc1ccc(nc1)OCc2cccnc2F 34a_100000729260_100000099810 [0,2,0,0,0,0|2,0,0]=4 13061 B17R2.496 Nc1ccc(nc1)SCc2cccnc2Br 62a_100000737798_100010140945 [0,2,0,0,0,0|2,0,0]=4 13062 B17R2.496 Nc1ccc(nc1)SCc2cccnc2Br 62a_100010140945_100000737798 [0,2,0,0,0,0|2,0,0]=4 13063 B17R2.496 Nc1ccc(nc1)SCc2cccnc2Cl 62a_100000045678_100000737798 [0,2,0,0,0,0|2,0,0]=4 13064 B17R2.496 Nc1ccc(nc1)SCc2cccnc2Cl 62a_100000737798_100000045678 [0,2,0,0,0,0|2,0,0]=4 13065 B17R2.496 Nc1ccc(nc1)SCc2cccnc2F 62a_100000099810_100000737798 [0,2,0,0,0,0|2,0,0]=4 13066 B17R2.496 Nc1ccc(nc1)SCc2cccnc2F 62a_100000737798_100000099810 [0,2,0,0,0,0|2,0,0]=4 13067 B17R2.496 Nc1ccccc1OCc2ccc(cc2)Br 34a_100000185747_100000189115 [0,2,0,0,0,0|2,0,0]=4 13068 B17R2.496 Nc1ccccc1OCc2ccc(cc2)Br 7a_100000185747_100011217064 [0,2,0,0,0,0|2,0,0]=4 13069 B17R2.496 Nc1ccccc1OCc2ccc(cc2)Cl 34a_100000185747_100000694040 [0,2,0,0,0,0|2,0,0]=4 13070 B17R2.496 Nc1ccccc1OCc2ccc(cc2)Cl 7a_100000185747_100000187161 [0,2,0,0,0,0|2,0,0]=4 13071 B17R2.496 Nc1ccccc1OCc2ccc(cc2)F 34a_100000185747_100000198546 [0,2,0,0,0,0|2,0,0]=4 13072 B17R2.496 Nc1ccccc1OCc2ccc(cc2)F 7a_100000185747_100000198546 [0,2,0,0,0,0|2,0,0]=4 13073 B17R2.496 Nc1ccccc1OCc2ccc(cc2)I 34a_100000185747_100000189116 [0,2,0,0,0,0|2,0,0]=4 13074 B17R2.496 Nc1ccccc1OCc2ccc(cc2)I 7a_100000185747_100000189116 [0,2,0,0,0,0|2,0,0]=4 13075 B17R2.496 Nc1ccccc1OCc2ccc(nc2)Br 34a_100000185747_100009831999 [0,2,0,0,0,0|1,0,0]=3 13076 B17R2.496 Nc1ccccc1OCc2ccc(nc2)Br 7a_100000185747_100009831999 [0,2,0,0,0,0|1,0,0]=3 13077 B17R2.496 Nc1ccccc1OCc2ccc(nc2)Cl 34a_100000185747_100000735431 [0,2,0,0,0,0|1,0,0]=3 13078 B17R2.496 Nc1ccccc1OCc2ccc(nc2)Cl 7a_100000185747_100000735431 [0,2,0,0,0,0|1,0,0]=3 13079 B17R2.496 Nc1ccccc1OCc2ccc(nc2)F 34a_100000185747_100000099788 [0,2,0,0,0,0|1,0,0]=3 13080 B17R2.496 Nc1ccccc1OCc2ccc(nc2)F 7a_100000185747_100009820150 [0,2,0,0,0,0|1,0,0]=3 13081 B17R2.496 Nc1ccccc1OCc2ccc(nn2)Cl 34a_100000185747_100016992710 [0,2,0,0,0,0|2,0,0]=4 13082 B17R2.496 Nc1ccccc1OCc2ccc(nn2)Cl 7a_100000185747_100016992710 [0,2,0,0,0,0|2,0,0]=4 13083 B17R2.496 Nc1ccccc1SCc2ccc(cc2)Br 62a_100000189115_100000210017 [0,2,0,0,0,0|2,0,0]=4 13084 B17R2.496 Nc1ccccc1SCc2ccc(cc2)Br 62a_100000210017_100000189115 [0,2,0,0,0,0|2,0,0]=4 13085 B17R2.496 Nc1ccccc1SCc2ccc(cc2)Cl 62a_100000187161_100000210017 [0,2,0,0,0,0|2,0,0]=4 13086 B17R2.496 Nc1ccccc1SCc2ccc(cc2)Cl 62a_100000210017_100000187161 [0,2,0,0,0,0|2,0,0]=4 13087 B17R2.496 Nc1ccccc1SCc2ccc(cc2)F 62a_100000198546_100000210017 [0,2,0,0,0,0|2,0,0]=4 13088 B17R2.496 Nc1ccccc1SCc2ccc(cc2)F 62a_100000210017_100000187164 [0,2,0,0,0,0|2,0,0]=4 13089 B17R2.496 Nc1ccccc1SCc2ccc(cc2)I 62a_100000189116_100000210017 [0,2,0,0,0,0|2,0,0]=4 13090 B17R2.496 Nc1ccccc1SCc2ccc(cc2)I 62a_100000210017_100000189116 [0,2,0,0,0,0|2,0,0]=4 13091 B17R2.496 Nc1ccccc1SCc2ccc(nc2)Br 62a_100000210017_100009831999 [0,2,0,0,0,0|1,0,0]=3 13092 B17R2.496 Nc1ccccc1SCc2ccc(nc2)Br 62a_100009831999_100000210017 [0,2,0,0,0,0|1,0,0]=3 13093 B17R2.496 Nc1ccccc1SCc2ccc(nc2)Cl 62a_100000210017_100000735431 [0,2,0,0,0,0|1,0,0]=3 13094 B17R2.496 Nc1ccccc1SCc2ccc(nc2)Cl 62a_100000735431_100000210017 [0,2,0,0,0,0|1,0,0]=3 13095 B17R2.496 Nc1ccccc1SCc2ccc(nc2)F 62a_100000210017_100000099788 [0,2,0,0,0,0|1,0,0]=3 13096 B17R2.496 Nc1ccccc1SCc2ccc(nc2)F 62a_100009820150_100000210017 [0,2,0,0,0,0|1,0,0]=3 13097 B17R2.496 Nc1ccccc1SCc2ccc(nn2)Cl 62a_100000210017_100016992710 [0,2,0,0,0,0|2,0,0]=4 13098 B17R2.496 Nc1ccccc1SCc2ccc(nn2)Cl 62a_100016992710_100000210017 [0,2,0,0,0,0|2,0,0]=4 13099 B17R2.496 Nc1cccnc1OCc2ccc(nc2)Br 34a_100000746358_100009831999 [0,2,0,0,0,0|2,0,0]=4 13100 B17R2.496 Nc1cccnc1OCc2ccc(nc2)Cl 34a_100000746358_100000735431 [0,2,0,0,0,0|2,0,0]=4 13101 B17R2.496 Nc1cccnc1OCc2ccc(nc2)F 34a_100000746358_100000099788 [0,2,0,0,0,0|2,0,0]=4 13102 B17R2.496 Nc1cccnc1SCc2ccc(nc2)Br 62a_100000688686_100009831999 [0,2,0,0,0,0|2,0,0]=4 13103 B17R2.496 Nc1cccnc1SCc2ccc(nc2)Br 62a_100009831999_100000688686 [0,2,0,0,0,0|2,0,0]=4 13104 B17R2.496 Nc1cccnc1SCc2ccc(nc2)Cl 62a_100000688686_100000735431 [0,2,0,0,0,0|2,0,0]=4 13105 B17R2.496 Nc1cccnc1SCc2ccc(nc2)Cl 62a_100000735431_100000688686 [0,2,0,0,0,0|2,0,0]=4 13106 B17R2.496 Nc1cccnc1SCc2ccc(nc2)F 62a_100000688686_100000099788 [0,2,0,0,0,0|2,0,0]=4 13107 B17R2.496 Nc1cccnc1SCc2ccc(nc2)F 62a_100009820150_100000688686 [0,2,0,0,0,0|2,0,0]=4 13108 B17R2.496 Nc1ccncc1C=Cc2ccc(cc2)Br 271570a_100102527914_100000047001 [0,2,0,0,0,0|1,0,1]=4 13109 B17R2.496 Nc1ccncc1C=Cc2ccc(cc2)Cl 271570a_100102527930_100000047001 [0,2,0,0,0,0|1,0,1]=4 13110 B17R2.496 Nc1ccncc1C=Cc2ccc(cc2)F 271570a_100102525539_100000047001 [0,2,0,0,0,0|1,0,1]=4 13111 B17R2.496 Nc1ccncc1OCc2ccc(cc2)Br 34a_100000753702_100000189115 [0,2,0,0,0,0|2,0,0]=4 13112 B17R2.496 Nc1ccncc1OCc2ccc(cc2)Cl 34a_100000753702_100000694040 [0,2,0,0,0,0|2,0,0]=4 13113 B17R2.496 Nc1ccncc1OCc2ccc(cc2)F 34a_100000753702_100000198546 [0,2,0,0,0,0|2,0,0]=4 13114 B17R2.496 Nc1ccncc1OCc2ccc(cc2)I 34a_100000753702_100000189116 [0,2,0,0,0,0|2,0,0]=4 13115 B17R2.496 Nc1ccncc1OCc2ccc(nc2)Br 34a_100000753702_100009831999 [0,2,0,0,0,0|2,0,0]=4 13116 B17R2.496 Nc1ccncc1OCc2ccc(nc2)Cl 34a_100000753702_100000735431 [0,2,0,0,0,0|2,0,0]=4 13117 B17R2.496 Nc1ccncc1OCc2ccc(nc2)F 34a_100000753702_100000099788 [0,2,0,0,0,0|2,0,0]=4 13118 B17R2.496 Nc1ccncc1SCc2ccc(cc2)Br 62a_100000047001_100000189115 [0,2,0,0,0,0|2,0,0]=4 13119 B17R2.496 Nc1ccncc1SCc2ccc(cc2)Br 62a_100000189115_100000047001 [0,2,0,0,0,0|2,0,0]=4 13120 B17R2.496 Nc1ccncc1SCc2ccc(cc2)Cl 62a_100000047001_100000187161 [0,2,0,0,0,0|2,0,0]=4 13121 B17R2.496 Nc1ccncc1SCc2ccc(cc2)Cl 62a_100000187161_100000047001 [0,2,0,0,0,0|2,0,0]=4 13122 B17R2.496 Nc1ccncc1SCc2ccc(cc2)F 62a_100000047001_100000187164 [0,2,0,0,0,0|2,0,0]=4 13123 B17R2.496 Nc1ccncc1SCc2ccc(cc2)F 62a_100000198546_100000047001 [0,2,0,0,0,0|2,0,0]=4 13124 B17R2.496 Nc1ccncc1SCc2ccc(cc2)I 62a_100000047001_100000189116 [0,2,0,0,0,0|2,0,0]=4 13125 B17R2.496 Nc1ccncc1SCc2ccc(cc2)I 62a_100000189116_100000047001 [0,2,0,0,0,0|2,0,0]=4 13126 B17R2.496 Nc1ccncc1SCc2ccc(nc2)Br 62a_100000047001_100009831999 [0,2,0,0,0,0|2,0,0]=4 13127 B17R2.496 Nc1ccncc1SCc2ccc(nc2)Br 62a_100009831999_100000047001 [0,2,0,0,0,0|2,0,0]=4 13128 B17R2.496 Nc1ccncc1SCc2ccc(nc2)Cl 62a_100000047001_100000735431 [0,2,0,0,0,0|2,0,0]=4 13129 B17R2.496 Nc1ccncc1SCc2ccc(nc2)Cl 62a_100000735431_100000047001 [0,2,0,0,0,0|2,0,0]=4 13130 B17R2.496 Nc1ccncc1SCc2ccc(nc2)F 62a_100000047001_100000099788 [0,2,0,0,0,0|2,0,0]=4 13131 B17R2.496 Nc1ccncc1SCc2ccc(nc2)F 62a_100009820150_100000047001 [0,2,0,0,0,0|2,0,0]=4 13132 B17R2.496 Nc1cnccc1SCc2ccc(nc2)Br 62a_100000756074_100009831999 [0,2,0,0,0,0|2,0,0]=4 13133 B17R2.496 Nc1cnccc1SCc2ccc(nc2)Br 62a_100009831999_100000756074 [0,2,0,0,0,0|2,0,0]=4 13134 B17R2.496 Nc1cnccc1SCc2ccc(nc2)Cl 62a_100000735431_100000756074 [0,2,0,0,0,0|2,0,0]=4 13135 B17R2.496 Nc1cnccc1SCc2ccc(nc2)Cl 62a_100000756074_100000735431 [0,2,0,0,0,0|2,0,0]=4 13136 B17R2.496 Nc1cnccc1SCc2ccc(nc2)F 62a_100000756074_100000099788 [0,2,0,0,0,0|2,0,0]=4 13137 B17R2.496 Nc1cnccc1SCc2ccc(nc2)F 62a_100009820150_100000756074 [0,2,0,0,0,0|2,0,0]=4 13138 B17R2.496 Nc1cncnc1NCc2ccc(nc2)Br 27a_100009817727_100000709731 [0,2,0,0,0,0|2,0,0]=4 13139 B17R2.496 Nc1cncnc1NCc2ccc(nc2)Cl 27a_100000735879_100000709731 [0,2,0,0,0,0|2,0,0]=4 13140 B17R2.496 Nc1cncnc1NCc2ccc(nc2)F 27a_100000101913_100000709731 [0,2,0,0,0,0|2,0,0]=4 13141 B17R2.496 Nc1cncnc1NCc2ccc(nc2)O 27a_100000757128_100000709731 [0,2,0,0,0,0|2,0,0]=4 13142 B17R2.496 Nc1ncccc1C=Cc2ccc(cc2)Br 271570a_100102527914_100000045569 [0,2,0,0,0,0|1,0,1]=4 13143 B17R2.496 Nc1ncccc1C=Cc2ccc(cc2)Cl 271570a_100102527930_100000045569 [0,2,0,0,0,0|1,0,1]=4 13144 B17R2.496 Nc1ncccc1C=Cc2ccc(cc2)F 271570a_100102525539_100000045569 [0,2,0,0,0,0|1,0,1]=4 13145 B17R2.496 Nc1ncccc1OCc2ccc(cc2)Br 34a_100000211975_100000189115 [0,2,0,0,0,0|2,0,0]=4 13146 B17R2.496 Nc1ncccc1OCc2ccc(cc2)Br 7a_100000211975_100011217064 [0,2,0,0,0,0|2,0,0]=4 13147 B17R2.496 Nc1ncccc1OCc2ccc(cc2)Cl 34a_100000211975_100000694040 [0,2,0,0,0,0|2,0,0]=4 13148 B17R2.496 Nc1ncccc1OCc2ccc(cc2)Cl 7a_100000211975_100000187161 [0,2,0,0,0,0|2,0,0]=4 13149 B17R2.496 Nc1ncccc1OCc2ccc(cc2)F 34a_100000211975_100000198546 [0,2,0,0,0,0|2,0,0]=4 13150 B17R2.496 Nc1ncccc1OCc2ccc(cc2)F 7a_100000211975_100000198546 [0,2,0,0,0,0|2,0,0]=4 13151 B17R2.496 Nc1ncccc1OCc2ccc(cc2)I 34a_100000211975_100000189116 [0,2,0,0,0,0|2,0,0]=4 13152 B17R2.496 Nc1ncccc1OCc2ccc(cc2)I 7a_100000211975_100000189116 [0,2,0,0,0,0|2,0,0]=4 13153 B17R2.496 Nc1ncccc1OCc2ccc(nc2)Br 34a_100000211975_100009831999 [0,2,0,0,0,0|2,0,0]=4 13154 B17R2.496 Nc1ncccc1OCc2ccc(nc2)Br 7a_100000211975_100009831999 [0,2,0,0,0,0|2,0,0]=4 13155 B17R2.496 Nc1ncccc1OCc2ccc(nc2)Cl 34a_100000211975_100000735431 [0,2,0,0,0,0|2,0,0]=4 13156 B17R2.496 Nc1ncccc1OCc2ccc(nc2)Cl 7a_100000211975_100000735431 [0,2,0,0,0,0|2,0,0]=4 13157 B17R2.496 Nc1ncccc1OCc2ccc(nc2)F 34a_100000211975_100000099788 [0,2,0,0,0,0|2,0,0]=4 13158 B17R2.496 Nc1ncccc1OCc2ccc(nc2)F 7a_100000211975_100009820150 [0,2,0,0,0,0|2,0,0]=4 13159 B17R2.496 Nc1ncccc1SCc2ccc(cc2)Br 62a_100000045569_100000189115 [0,2,0,0,0,0|2,0,0]=4 13160 B17R2.496 Nc1ncccc1SCc2ccc(cc2)Br 62a_100000189115_100000045569 [0,2,0,0,0,0|2,0,0]=4 13161 B17R2.496 Nc1ncccc1SCc2ccc(cc2)Cl 62a_100000045569_100000187161 [0,2,0,0,0,0|2,0,0]=4 13162 B17R2.496 Nc1ncccc1SCc2ccc(cc2)Cl 62a_100000187161_100000045569 [0,2,0,0,0,0|2,0,0]=4 13163 B17R2.496 Nc1ncccc1SCc2ccc(cc2)F 62a_100000045569_100000187164 [0,2,0,0,0,0|2,0,0]=4 13164 B17R2.496 Nc1ncccc1SCc2ccc(cc2)F 62a_100000198546_100000045569 [0,2,0,0,0,0|2,0,0]=4 13165 B17R2.496 Nc1ncccc1SCc2ccc(cc2)I 62a_100000045569_100000189116 [0,2,0,0,0,0|2,0,0]=4 13166 B17R2.496 Nc1ncccc1SCc2ccc(cc2)I 62a_100000189116_100000045569 [0,2,0,0,0,0|2,0,0]=4 13167 B17R2.496 Nc1ncccc1SCc2ccc(nc2)Br 62a_100000045569_100009831999 [0,2,0,0,0,0|2,0,0]=4 13168 B17R2.496 Nc1ncccc1SCc2ccc(nc2)Br 62a_100009831999_100000045569 [0,2,0,0,0,0|2,0,0]=4 13169 B17R2.496 Nc1ncccc1SCc2ccc(nc2)Cl 62a_100000045569_100000735431 [0,2,0,0,0,0|2,0,0]=4 13170 B17R2.496 Nc1ncccc1SCc2ccc(nc2)Cl 62a_100000735431_100000045569 [0,2,0,0,0,0|2,0,0]=4 13171 B17R2.496 Nc1ncccc1SCc2ccc(nc2)F 62a_100000045569_100000099788 [0,2,0,0,0,0|2,0,0]=4 13172 B17R2.496 Nc1ncccc1SCc2ccc(nc2)F 62a_100009820150_100000045569 [0,2,0,0,0,0|2,0,0]=4 13173 B17R2.496 O=c1[nH]nccc1NCc2ccc(nc2)Br 27a_100009817727_100000087129 [0,2,0,0,0,0|2,0,0]=4 13174 B17R2.496 O=c1[nH]nccc1NCc2ccc(nc2)Cl 27a_100000735879_100000087129 [0,2,0,0,0,0|2,0,0]=4 13175 B17R2.496 O=c1[nH]nccc1NCc2ccc(nc2)F 27a_100000101913_100000087129 [0,2,0,0,0,0|2,0,0]=4 13176 B17R2.496 O=c1[nH]nccc1NCc2ccc(nc2)O 27a_100000757128_100000087129 [0,2,0,0,0,0|2,0,0]=4 13177 B17R2.496 O=c1cc[nH]cc1SCc2ccc(nc2)Br 62a_100009831999_100009998708 [0,2,0,0,0,0|2,0,0]=4 13178 B17R2.496 O=c1cc[nH]cc1SCc2ccc(nc2)Br 62a_100009998708_100009831999 [0,2,0,0,0,0|2,0,0]=4 13179 B17R2.496 O=c1cc[nH]cc1SCc2ccc(nc2)Cl 62a_100000735431_100009998708 [0,2,0,0,0,0|2,0,0]=4 13180 B17R2.496 O=c1cc[nH]cc1SCc2ccc(nc2)Cl 62a_100009998708_100000735431 [0,2,0,0,0,0|2,0,0]=4 13181 B17R2.496 O=c1cc[nH]cc1SCc2ccc(nc2)F 62a_100009820150_100009998708 [0,2,0,0,0,0|2,0,0]=4 13182 B17R2.496 O=c1cc[nH]cc1SCc2ccc(nc2)F 62a_100009998708_100000099788 [0,2,0,0,0,0|2,0,0]=4 13183 B17R2.496 O=c1ccc(c[nH]1)OCc2cccnc2Br 34a_100000075641_100010140945 [0,2,0,0,0,0|2,0,0]=4 13184 B17R2.496 O=c1ccc(c[nH]1)OCc2cccnc2Cl 34a_100000075641_100000045678 [0,2,0,0,0,0|2,0,0]=4 13185 B17R2.496 O=c1ccc(c[nH]1)OCc2cccnc2F 34a_100000075641_100000099810 [0,2,0,0,0,0|2,0,0]=4 13186 B17R2.496 O=c1ccc(c[nH]1)SCc2cccnc2Br 62a_100000212171_100010140945 [0,2,0,0,0,0|2,0,0]=4 13187 B17R2.496 O=c1ccc(c[nH]1)SCc2cccnc2Br 62a_100010140945_100000212171 [0,2,0,0,0,0|2,0,0]=4 13188 B17R2.496 O=c1ccc(c[nH]1)SCc2cccnc2Cl 62a_100000045678_100000212171 [0,2,0,0,0,0|2,0,0]=4 13189 B17R2.496 O=c1ccc(c[nH]1)SCc2cccnc2Cl 62a_100000212171_100000045678 [0,2,0,0,0,0|2,0,0]=4 13190 B17R2.496 O=c1ccc(c[nH]1)SCc2cccnc2F 62a_100000099810_100000212171 [0,2,0,0,0,0|2,0,0]=4 13191 B17R2.496 O=c1ccc(c[nH]1)SCc2cccnc2F 62a_100000212171_100000099810 [0,2,0,0,0,0|2,0,0]=4 13192 B17R2.496 O=c1ccc(n[nH]1)CNc2ccccc2Br 207a_100000210017_100011361533 [0,2,0,0,0,0|1,0,1]=4 13193 B17R2.496 O=c1ccc(n[nH]1)CNc2ccccc2Cl 207a_100000185783_100011361533 [0,2,0,0,0,0|1,0,1]=4 13194 B17R2.496 O=c1ccc(n[nH]1)CNc2ccccc2F 207a_100000210422_100011361533 [0,2,0,0,0,0|1,0,1]=4 13195 B17R2.496 O=c1ccc(n[nH]1)CNc2ccccc2I 207a_100000210053_100011361533 [0,2,0,0,0,0|1,0,1]=4 13196 B17R2.496 O=c1ccocc1OCc2ccc(nc2)Br 34a_100000060831_100009831999 [0,2,0,0,0,0|2,0,0]=4 13197 B17R2.496 O=c1ccocc1OCc2ccc(nc2)Cl 34a_100000060831_100000735431 [0,2,0,0,0,0|2,0,0]=4 13198 B17R2.496 O=c1ccocc1OCc2ccc(nc2)F 34a_100000060831_100000099788 [0,2,0,0,0,0|2,0,0]=4 13199 B17R2.496 O=c1occcc1OCc2ccc(nc2)Br 34a_100000077404_100009831999 [0,2,0,0,0,0|2,0,0]=4 13200 B17R2.496 O=c1occcc1OCc2ccc(nc2)Br 7a_100000077404_100009831999 [0,2,0,0,0,0|2,0,0]=4 13201 B17R2.496 O=c1occcc1OCc2ccc(nc2)Cl 34a_100000077404_100000735431 [0,2,0,0,0,0|2,0,0]=4 13202 B17R2.496 O=c1occcc1OCc2ccc(nc2)Cl 7a_100000077404_100000735431 [0,2,0,0,0,0|2,0,0]=4 13203 B17R2.496 O=c1occcc1OCc2ccc(nc2)F 34a_100000077404_100000099788 [0,2,0,0,0,0|2,0,0]=4 13204 B17R2.496 O=c1occcc1OCc2ccc(nc2)F 7a_100000077404_100009820150 [0,2,0,0,0,0|2,0,0]=4 13205 B17R2.496 Oc1ccc(cc1)CNc2ccncc2Br 27a_100000185549_100000726257 [0,2,0,0,0,0|2,0,0]=4 13206 B17R2.496 Oc1ccc(cc1)CNc2ccncc2F 27a_100000185549_100000035921 [0,2,0,0,0,0|2,0,0]=4 13207 B17R2.496 Oc1ccc(cc1)CNc2ncccc2Br 27a_100000185549_100000696092 [0,2,0,0,0,0|2,0,0]=4 13208 B17R2.496 Oc1ccc(cc1)NCc2ccccc2Br 270302a_100000185829_100000211189 [0,2,0,0,0,0|1,0,0]=3 13209 B17R2.496 Oc1ccc(cc1)NCc2ccccc2Br 34a_100000185829_100000184730 [0,2,0,0,0,0|1,0,0]=3 13210 B17R2.496 Oc1ccc(cc1)NCc2ccccc2Cl 270302a_100000185829_100000210073 [0,2,0,0,0,0|1,0,0]=3 13211 B17R2.496 Oc1ccc(cc1)NCc2ccccc2Cl 34a_100000185829_100000187162 [0,2,0,0,0,0|1,0,0]=3 13212 B17R2.496 Oc1ccc(cc1)NCc2ccccc2F 270302a_100000185829_100000210811 [0,2,0,0,0,0|1,0,0]=3 13213 B17R2.496 Oc1ccc(cc1)NCc2ccccc2F 34a_100000185829_100000211605 [0,2,0,0,0,0|1,0,0]=3 13214 B17R2.496 Oc1ccc(cc1)NCc2ccccc2I 34a_100000185829_100011215278 [0,2,0,0,0,0|1,0,0]=3 13215 B17R2.496 Oc1ccc(cc1)NCc2ccccc2O 270302a_100000185829_100000185834 [0,2,0,0,0,0|1,0,0]=3 13216 B17R2.496 Oc1ccc(cc1)NCc2ccccc2O 271570a_203496583355_200000313668 [0,2,0,0,0,0|1,0,0]=3 13217 B17R2.496 Oc1ccc(cc1)NCc2cccnc2Br 34a_100000185829_100010140945 [0,2,0,0,0,0|0,0,0]=2 13218 B17R2.496 Oc1ccc(cc1)NCc2cccnc2Cl 34a_100000185829_100000045678 [0,2,0,0,0,0|0,0,0]=2 13219 B17R2.496 Oc1ccc(cc1)NCc2cccnc2F 34a_100000185829_100000099810 [0,2,0,0,0,0|0,0,0]=2 13220 B17R2.496 Oc1ccc(cc1)NCc2cccnc2O 270302a_100000185829_100011998315 [0,2,0,0,0,0|0,0,0]=2 13221 B17R2.496 Oc1ccc(cc1)NCc2ncccc2Br 34a_100000185829_100025702911 [0,2,0,0,0,0|2,0,0]=4 13222 B17R2.496 Oc1ccc(cc1)NCc2ncccc2F 34a_100000185829_100000104219 [0,2,0,0,0,0|2,0,0]=4 13223 B17R2.496 Oc1ccc(cc1)NCc2ncccc2O 34a_100000185829_200020655725 [0,2,0,0,0,0|2,0,0]=4 13224 B17R2.496 Oc1ccc(cc1)OCc2ccccc2F 271570a_203496583355_200000151781 [0,2,0,0,0,0|2,0,0]=4 13225 B17R2.496 Oc1ccc(cc1)SCc2ccccc2Br 62a_100000184730_100000185759 [0,2,0,0,0,0|2,0,0]=4 13226 B17R2.496 Oc1ccc(cc1)SCc2ccccc2Cl 62a_100000187162_100000185759 [0,2,0,0,0,0|2,0,0]=4 13227 B17R2.496 Oc1ccc(cc1)SCc2ccccc2F 62a_100000211605_100000185759 [0,2,0,0,0,0|2,0,0]=4 13228 B17R2.496 Oc1ccc(cc1)SCc2ccccc2I 62a_100011216222_100000185759 [0,2,0,0,0,0|2,0,0]=4 13229 B17R2.496 Oc1ccc(cc1)SCc2cccnc2Br 62a_100010140945_100000185759 [0,2,0,0,0,0|1,0,0]=3 13230 B17R2.496 Oc1ccc(cc1)SCc2cccnc2Cl 62a_100000045678_100000185759 [0,2,0,0,0,0|1,0,0]=3 13231 B17R2.496 Oc1ccc(cc1)SCc2cccnc2F 62a_100000099810_100000185759 [0,2,0,0,0,0|1,0,0]=3 13232 B17R2.496 Oc1ccc(cn1)CNc2ccccc2Br 207a_100000210017_100011361521 [0,2,0,0,0,0|0,0,0]=2 13233 B17R2.496 Oc1ccc(cn1)CNc2ccccc2Cl 207a_100000185783_100011361521 [0,2,0,0,0,0|0,0,0]=2 13234 B17R2.496 Oc1ccc(cn1)CNc2ccccc2F 207a_100000210422_100011361521 [0,2,0,0,0,0|0,0,0]=2 13235 B17R2.496 Oc1ccc(cn1)CNc2ccccc2I 207a_100000210053_100011361521 [0,2,0,0,0,0|0,0,0]=2 13236 B17R2.496 Oc1ccc(cn1)CNc2ccncc2Br 27a_100000757128_100000726257 [0,2,0,0,0,0|1,0,0]=3 13237 B17R2.496 Oc1ccc(cn1)CNc2ccncc2F 27a_100000757128_100000035921 [0,2,0,0,0,0|1,0,0]=3 13238 B17R2.496 Oc1ccc(cn1)CNc2ncccc2Br 27a_100000757128_100000696092 [0,2,0,0,0,0|1,0,0]=3 13239 B17R2.496 Oc1ccc(cn1)CNc2nccnc2F 27a_100000757128_200010125657 [0,2,0,0,0,0|2,0,0]=4 13240 B17R2.496 Oc1ccc(cn1)CNc2ncncc2F 27a_100000757128_100000069762 [0,2,0,0,0,0|2,0,0]=4 13241 B17R2.496 Oc1ccc(nc1)SCc2cccnc2Br 62a_100000685995_100010140945 [0,2,0,0,0,0|2,0,0]=4 13242 B17R2.496 Oc1ccc(nc1)SCc2cccnc2Br 62a_100010140945_100000744096 [0,2,0,0,0,0|2,0,0]=4 13243 B17R2.496 Oc1ccc(nc1)SCc2cccnc2Cl 62a_100000045678_100000744096 [0,2,0,0,0,0|2,0,0]=4 13244 B17R2.496 Oc1ccc(nc1)SCc2cccnc2Cl 62a_100000685995_100000045678 [0,2,0,0,0,0|2,0,0]=4 13245 B17R2.496 Oc1ccc(nc1)SCc2cccnc2F 62a_100000099810_100000744096 [0,2,0,0,0,0|2,0,0]=4 13246 B17R2.496 Oc1ccc(nc1)SCc2cccnc2F 62a_100000685995_100000099810 [0,2,0,0,0,0|2,0,0]=4 13247 B17R2.496 Oc1ccccc1CNc2ccc(cc2)Br 270302a_100000210018_100000185834 [0,2,0,0,0,0|1,0,0]=3 13248 B17R2.496 Oc1ccccc1CNc2ccc(cc2)Cl 270302a_100000210052_100000185834 [0,2,0,0,0,0|1,0,0]=3 13249 B17R2.496 Oc1ccccc1CNc2ccc(cc2)F 270302a_100000185862_100000185834 [0,2,0,0,0,0|1,0,0]=3 13250 B17R2.496 Oc1ccccc1CNc2ccc(cc2)I 270302a_100000185761_100000185834 [0,2,0,0,0,0|1,0,0]=3 13251 B17R2.496 Oc1ccccc1CNc2ccc(cn2)Br 27a_100000185550_100000686858 [0,2,0,0,0,0|2,0,0]=4 13252 B17R2.496 Oc1ccccc1NCc2ccc(cc2)Br 34a_100000185747_100000189115 [0,2,0,0,0,0|1,0,0]=3 13253 B17R2.496 Oc1ccccc1NCc2ccc(cc2)Cl 34a_100000185747_100000694040 [0,2,0,0,0,0|1,0,0]=3 13254 B17R2.496 Oc1ccccc1NCc2ccc(cc2)F 34a_100000185747_100000198546 [0,2,0,0,0,0|1,0,0]=3 13255 B17R2.496 Oc1ccccc1NCc2ccc(cc2)I 34a_100000185747_100000189116 [0,2,0,0,0,0|1,0,0]=3 13256 B17R2.496 Oc1ccccc1NCc2ccc(cn2)Br 34a_100000185747_100000702658 [0,2,0,0,0,0|2,0,0]=4 13257 B17R2.496 Oc1ccccc1NCc2ccc(cn2)Cl 34a_100000185747_100012066911 [0,2,0,0,0,0|2,0,0]=4 13258 B17R2.496 Oc1ccccc1NCc2ccc(cn2)F 34a_100000185747_100000703193 [0,2,0,0,0,0|2,0,0]=4 13259 B17R2.496 Oc1ccccc1NCc2ccc(nc2)Br 34a_100000185747_100009831999 [0,2,0,0,0,0|0,0,0]=2 13260 B17R2.496 Oc1ccccc1NCc2ccc(nc2)Cl 34a_100000185747_100000735431 [0,2,0,0,0,0|0,0,0]=2 13261 B17R2.496 Oc1ccccc1NCc2ccc(nc2)F 34a_100000185747_100000099788 [0,2,0,0,0,0|0,0,0]=2 13262 B17R2.496 Oc1ccccc1NCc2ccc(nn2)Cl 34a_100000185747_100016992710 [0,2,0,0,0,0|1,0,0]=3 13263 B17R2.496 Oc1ccccc1OCc2ccc(cc2)F 271570a_203496583355_200000151720 [0,2,0,0,0,0|2,0,0]=4 13264 B17R2.496 Oc1ccccc1SCc2ccc(cc2)Br 62a_100000189115_100000739446 [0,2,0,0,0,0|2,0,0]=4 13265 B17R2.496 Oc1ccccc1SCc2ccc(cc2)Br 62a_100000739446_100000189115 [0,2,0,0,0,0|2,0,0]=4 13266 B17R2.496 Oc1ccccc1SCc2ccc(cc2)Cl 62a_100000187161_100000739446 [0,2,0,0,0,0|2,0,0]=4 13267 B17R2.496 Oc1ccccc1SCc2ccc(cc2)Cl 62a_100000739446_100000187161 [0,2,0,0,0,0|2,0,0]=4 13268 B17R2.496 Oc1ccccc1SCc2ccc(cc2)F 62a_100000198546_100000739446 [0,2,0,0,0,0|2,0,0]=4 13269 B17R2.496 Oc1ccccc1SCc2ccc(cc2)F 62a_100000739446_100000187164 [0,2,0,0,0,0|2,0,0]=4 13270 B17R2.496 Oc1ccccc1SCc2ccc(cc2)I 62a_100000189116_100000739446 [0,2,0,0,0,0|2,0,0]=4 13271 B17R2.496 Oc1ccccc1SCc2ccc(cc2)I 62a_100000739446_100000189116 [0,2,0,0,0,0|2,0,0]=4 13272 B17R2.496 Oc1ccccc1SCc2ccc(nc2)Br 62a_100000739446_100009831999 [0,2,0,0,0,0|1,0,0]=3 13273 B17R2.496 Oc1ccccc1SCc2ccc(nc2)Br 62a_100009831999_100000739446 [0,2,0,0,0,0|1,0,0]=3 13274 B17R2.496 Oc1ccccc1SCc2ccc(nc2)Cl 62a_100000735431_100000739446 [0,2,0,0,0,0|1,0,0]=3 13275 B17R2.496 Oc1ccccc1SCc2ccc(nc2)Cl 62a_100000739446_100000735431 [0,2,0,0,0,0|1,0,0]=3 13276 B17R2.496 Oc1ccccc1SCc2ccc(nc2)F 62a_100000739446_100000099788 [0,2,0,0,0,0|1,0,0]=3 13277 B17R2.496 Oc1ccccc1SCc2ccc(nc2)F 62a_100009820150_100000739446 [0,2,0,0,0,0|1,0,0]=3 13278 B17R2.496 Oc1ccccc1SCc2ccc(nn2)Cl 62a_100000739446_100016992710 [0,2,0,0,0,0|2,0,0]=4 13279 B17R2.496 Oc1ccccc1SCc2ccc(nn2)Cl 62a_100016992710_100000739446 [0,2,0,0,0,0|2,0,0]=4 13280 B17R2.496 Oc1cccnc1CNc2ccc(cc2)Br 34a_100000210018_200020655725 [0,2,0,0,0,0|2,0,0]=4 13281 B17R2.496 Oc1cccnc1CNc2ccc(cc2)Cl 34a_100000210052_200020655725 [0,2,0,0,0,0|2,0,0]=4 13282 B17R2.496 Oc1cccnc1CNc2ccc(cc2)F 34a_100000185862_200020655725 [0,2,0,0,0,0|2,0,0]=4 13283 B17R2.496 Oc1cccnc1CNc2ccc(cc2)I 34a_100000185761_200020655725 [0,2,0,0,0,0|2,0,0]=4 13284 B17R2.496 Oc1cccnc1SCc2ccc(nc2)Br 62a_100000034122_100009831999 [0,2,0,0,0,0|2,0,0]=4 13285 B17R2.496 Oc1cccnc1SCc2ccc(nc2)Br 62a_100009831999_100000034122 [0,2,0,0,0,0|2,0,0]=4 13286 B17R2.496 Oc1cccnc1SCc2ccc(nc2)Cl 62a_100000034122_100000735431 [0,2,0,0,0,0|2,0,0]=4 13287 B17R2.496 Oc1cccnc1SCc2ccc(nc2)Cl 62a_100000735431_100000034122 [0,2,0,0,0,0|2,0,0]=4 13288 B17R2.496 Oc1cccnc1SCc2ccc(nc2)F 62a_100000034122_100000099788 [0,2,0,0,0,0|2,0,0]=4 13289 B17R2.496 Oc1cccnc1SCc2ccc(nc2)F 62a_100009820150_100000034122 [0,2,0,0,0,0|2,0,0]=4 13290 B17R2.496 Oc1cnccc1SCc2ccc(nc2)Br 62a_100009817591_100009831999 [0,2,0,0,0,0|2,0,0]=4 13291 B17R2.496 Oc1cnccc1SCc2ccc(nc2)Br 62a_100009831999_100009817591 [0,2,0,0,0,0|2,0,0]=4 13292 B17R2.496 Oc1cnccc1SCc2ccc(nc2)Cl 62a_100000735431_100009817591 [0,2,0,0,0,0|2,0,0]=4 13293 B17R2.496 Oc1cnccc1SCc2ccc(nc2)Cl 62a_100009817591_100000735431 [0,2,0,0,0,0|2,0,0]=4 13294 B17R2.496 Oc1cnccc1SCc2ccc(nc2)F 62a_100009817591_100000099788 [0,2,0,0,0,0|2,0,0]=4 13295 B17R2.496 Oc1cnccc1SCc2ccc(nc2)F 62a_100009820150_100009817591 [0,2,0,0,0,0|2,0,0]=4 13296 B17R2.496 Oc1ncccc1CNc2ccc(cc2)Br 207a_100000210018_100011998315 [0,2,0,0,0,0|0,0,0]=2 13297 B17R2.496 Oc1ncccc1CNc2ccc(cc2)Br 270302a_100000210018_100011998315 [0,2,0,0,0,0|0,0,0]=2 13298 B17R2.496 Oc1ncccc1CNc2ccc(cc2)Cl 207a_100000210052_100011998315 [0,2,0,0,0,0|0,0,0]=2 13299 B17R2.496 Oc1ncccc1CNc2ccc(cc2)Cl 270302a_100000210052_100011998315 [0,2,0,0,0,0|0,0,0]=2 13300 B17R2.496 Oc1ncccc1CNc2ccc(cc2)F 207a_100000185862_100011998315 [0,2,0,0,0,0|0,0,0]=2 13301 B17R2.496 Oc1ncccc1CNc2ccc(cc2)F 270302a_100000185862_100011998315 [0,2,0,0,0,0|0,0,0]=2 13302 B17R2.496 Oc1ncccc1CNc2ccc(cc2)I 207a_100000185761_100011998315 [0,2,0,0,0,0|0,0,0]=2 13303 B17R2.496 Oc1ncccc1CNc2ccc(cc2)I 270302a_100000185761_100011998315 [0,2,0,0,0,0|0,0,0]=2 13304 B17R2.496 Oc1ncccc1SCc2ccc(cc2)Br 62a_100000189115_100000760158 [0,2,0,0,0,0|2,0,0]=4 13305 B17R2.496 Oc1ncccc1SCc2ccc(cc2)Br 62a_100000760158_100000189115 [0,2,0,0,0,0|2,0,0]=4 13306 B17R2.496 Oc1ncccc1SCc2ccc(cc2)Cl 62a_100000187161_100000760158 [0,2,0,0,0,0|2,0,0]=4 13307 B17R2.496 Oc1ncccc1SCc2ccc(cc2)Cl 62a_100000760158_100000187161 [0,2,0,0,0,0|2,0,0]=4 13308 B17R2.496 Oc1ncccc1SCc2ccc(cc2)F 62a_100000198546_100000760158 [0,2,0,0,0,0|2,0,0]=4 13309 B17R2.496 Oc1ncccc1SCc2ccc(cc2)F 62a_100000760158_100000187164 [0,2,0,0,0,0|2,0,0]=4 13310 B17R2.496 Oc1ncccc1SCc2ccc(cc2)I 62a_100000189116_100000760158 [0,2,0,0,0,0|2,0,0]=4 13311 B17R2.496 Oc1ncccc1SCc2ccc(cc2)I 62a_100000760158_100000189116 [0,2,0,0,0,0|2,0,0]=4 13312 B17R2.496 Oc1ncccc1SCc2ccc(nc2)Br 62a_100000760158_100009831999 [0,2,0,0,0,0|2,0,0]=4 13313 B17R2.496 Oc1ncccc1SCc2ccc(nc2)Br 62a_100009831999_100000760158 [0,2,0,0,0,0|2,0,0]=4 13314 B17R2.496 Oc1ncccc1SCc2ccc(nc2)Cl 62a_100000735431_100000760158 [0,2,0,0,0,0|2,0,0]=4 13315 B17R2.496 Oc1ncccc1SCc2ccc(nc2)Cl 62a_100000760158_100000735431 [0,2,0,0,0,0|2,0,0]=4 13316 B17R2.496 Oc1ncccc1SCc2ccc(nc2)F 62a_100000760158_100000099788 [0,2,0,0,0,0|2,0,0]=4 13317 B17R2.496 Oc1ncccc1SCc2ccc(nc2)F 62a_100009820150_100000760158 [0,2,0,0,0,0|2,0,0]=4 13318 B17R2.496 S=c1cc[nH]cc1SCc2ccc(nc2)Br 62a_100009831999_200012280681 [0,2,0,0,0,0|2,0,0]=4 13319 B17R2.496 S=c1cc[nH]cc1SCc2ccc(nc2)Br 62a_200012280681_100009831999 [0,2,0,0,0,0|2,0,0]=4 13320 B17R2.496 S=c1cc[nH]cc1SCc2ccc(nc2)Cl 62a_100000735431_200012280681 [0,2,0,0,0,0|2,0,0]=4 13321 B17R2.496 S=c1cc[nH]cc1SCc2ccc(nc2)Cl 62a_200012280681_100000735431 [0,2,0,0,0,0|2,0,0]=4 13322 B17R2.496 [O-][n+]1ccc(cc1)SCc2cccnc2Br 62a_100010140945_100000039755 [0,2,0,0,0,0|2,0,0]=4 13323 B17R2.496 [O-][n+]1ccc(cc1)SCc2cccnc2Cl 62a_100000045678_100000039755 [0,2,0,0,0,0|2,0,0]=4 13324 B17R2.496 [O-][n+]1ccc(cc1)SCc2cccnc2F 62a_100000099810_100000039755 [0,2,0,0,0,0|2,0,0]=4 13325 B17R2.496 [O-][n+]1ccccc1OCc2ccc(nc2)Br 7a_100000211761_100009831999 [0,2,0,0,0,0|2,0,0]=4 13326 B17R2.496 [O-][n+]1ccccc1OCc2ccc(nc2)Cl 7a_100000211761_100000735431 [0,2,0,0,0,0|2,0,0]=4 13327 B17R2.496 [O-][n+]1ccccc1OCc2ccc(nc2)F 7a_100000211761_100009820150 [0,2,0,0,0,0|2,0,0]=4 13328 B17R2.496 [O-][n+]1ccccc1SCc2ccc(nc2)Br 62a_100009831999_200000042595 [0,2,0,0,0,0|2,0,0]=4 13329 B17R2.496 [O-][n+]1ccccc1SCc2ccc(nc2)Cl 62a_100000735431_200000042595 [0,2,0,0,0,0|2,0,0]=4 13330 B17R2.496 [O-][n+]1ccccc1SCc2ccc(nc2)F 62a_100009820150_200000042595 [0,2,0,0,0,0|2,0,0]=4 13331 B17R2.3417 CC(Nc1ccccc1)c2ccccc2F 34a_100000106764_200000741388 [0,2,0,0,0,0|1,0,0]=3 13332 B17R2.3417 CC(Nc1cccnn1)c2cccnc2O 27a_100159269580_100016991348 [0,2,0,0,0,0|2,0,0]=4 13333 B17R2.3417 CC(Nc1ccncn1)c2cccnc2O 27a_100159269580_100000703185 [0,2,0,0,0,0|2,0,0]=4 13334 B17R2.3417 CC(Nc1cnccn1)c2cccnc2O 27a_100159269580_100000211759 [0,2,0,0,0,0|2,0,0]=4 13335 B17R2.3417 CC(Nc1ncccn1)c2cccnc2O 27a_100159269580_100000211032 [0,2,0,0,0,0|2,0,0]=4 13336 B17R2.3417 CC(Oc1ccccc1)c2ccccc2Cl 7a_100000210340_100000181259 [0,2,0,0,0,0|2,0,0]=4 13337 B17R2.3417 CC(Oc1ccccc1)c2ccccc2F 34a_100000210340_200000741388 [0,2,0,0,0,0|2,0,0]=4 13338 B17R2.3417 CC(Oc1ccccc1)c2ccccc2F 7a_100000210340_200000741388 [0,2,0,0,0,0|2,0,0]=4 13339 B17R2.3417 CC(Oc1cccnc1)c2ccccc2Cl 7a_100000210849_100000181259 [0,2,0,0,0,0|2,0,0]=4 13340 B17R2.3417 CC(Oc1cccnc1)c2ccccc2F 34a_100000210849_200000741388 [0,2,0,0,0,0|2,0,0]=4 13341 B17R2.3417 CC(Oc1cccnc1)c2ccccc2F 7a_100000210849_200000741388 [0,2,0,0,0,0|2,0,0]=4 13342 B17R2.3417 CC(Sc1ccccc1)c2ccccc2Cl 62a_100000181259_100000041952 [0,2,0,0,0,0|2,0,0]=4 13343 B17R2.3417 CC(Sc1ccccc1)c2ccccc2Cl 62a_100000719477_100000181259 [0,2,0,0,0,0|2,0,0]=4 13344 B17R2.3417 CC(Sc1ccccc1)c2ccccc2F 62a_100000719477_200000741388 [0,2,0,0,0,0|2,0,0]=4 13345 B17R2.3417 CC(Sc1ccccc1)c2ccccc2F 62a_200000741388_100000041952 [0,2,0,0,0,0|2,0,0]=4 13346 B17R2.3417 CC(Sc1cccnc1)c2ccccc2Cl 62a_100000181259_100000210063 [0,2,0,0,0,0|2,0,0]=4 13347 B17R2.3417 CC(Sc1cccnc1)c2ccccc2Cl 62a_100000210063_100000181259 [0,2,0,0,0,0|2,0,0]=4 13348 B17R2.3417 CC(Sc1cccnc1)c2ccccc2F 62a_100000210063_200000741388 [0,2,0,0,0,0|2,0,0]=4 13349 B17R2.3417 CC(Sc1cccnc1)c2ccccc2F 62a_200000741388_100000210063 [0,2,0,0,0,0|2,0,0]=4 13350 B17R2.3417 CN(Cc1ccccc1)c2ccccc2Br 2230a_100020606079_100015291786 [0,2,0,0,0,0|1,0,0]=3 13351 B17R2.3417 CN(Cc1ccccc1)c2ccccc2Br 269982a_100020606079_100000211182 [0,2,0,0,0,0|1,0,0]=3 13352 B17R2.3417 CN(Cc1ccccc1)c2ccccc2Br 34a_100020606079_100015291786 [0,2,0,0,0,0|1,0,0]=3 13353 B17R2.3417 CN(Cc1ccccc1)c2ccccc2Cl 2230a_100000219374_100015291786 [0,2,0,0,0,0|1,0,0]=3 13354 B17R2.3417 CN(Cc1ccccc1)c2ccccc2Cl 269982a_100000219374_100000211182 [0,2,0,0,0,0|1,0,0]=3 13355 B17R2.3417 CN(Cc1ccccc1)c2ccccc2Cl 34a_100000219374_100015291786 [0,2,0,0,0,0|1,0,0]=3 13356 B17R2.3417 CN(Cc1ccccc1)c2ccccc2F 2230a_100000220357_100015291786 [0,2,0,0,0,0|1,0,0]=3 13357 B17R2.3417 CN(Cc1ccccc1)c2ccccc2F 2230a_100025753533_200000210301 [0,2,0,0,0,0|1,0,0]=3 13358 B17R2.3417 CN(Cc1ccccc1)c2ccccc2F 269982a_100000220357_100000211182 [0,2,0,0,0,0|1,0,0]=3 13359 B17R2.3417 CN(Cc1ccccc1)c2ccccc2F 269982a_100025753533_200000210301 [0,2,0,0,0,0|1,0,0]=3 13360 B17R2.3417 CN(Cc1ccccc1)c2ccccc2F 34a_100000220357_100015291786 [0,2,0,0,0,0|1,0,0]=3 13361 B17R2.3417 CN(Cc1ccccc1)c2ccccc2F 34a_100025753533_200000210301 [0,2,0,0,0,0|1,0,0]=3 13362 B17R2.3417 CN(Cc1ccccc1)c2ccccc2F 38a_100000220357_100015291786 [0,2,0,0,0,0|1,0,0]=3 13363 B17R2.3417 CN(Cc1ccccc1)c2ccccc2O 269982a_100000033821_100000211182 [0,2,0,0,0,0|1,0,0]=3 13364 B17R2.3417 CN(Cc1ccccc1)c2ccncc2Br 27a_100000186898_100000726257 [0,2,0,0,0,0|2,0,0]=4 13365 B17R2.3417 CN(Cc1ccccc1)c2ccncc2F 27a_100000186898_100000035921 [0,2,0,0,0,0|2,0,0]=4 13366 B17R2.3417 CN(Cc1ccccc1)c2ncccc2Br 27a_100000186898_100000696092 [0,2,0,0,0,0|2,0,0]=4 13367 B17R2.3417 CN(Cc1ccccn1)c2ccccc2Br 2230a_100020606079_100000721315 [0,2,0,0,0,0|2,0,0]=4 13368 B17R2.3417 CN(Cc1ccccn1)c2ccccc2Br 269982a_100020606079_100000721315 [0,2,0,0,0,0|2,0,0]=4 13369 B17R2.3417 CN(Cc1ccccn1)c2ccccc2Br 34a_100020606079_100000721315 [0,2,0,0,0,0|2,0,0]=4 13370 B17R2.3417 CN(Cc1ccccn1)c2ccccc2Cl 2230a_100000219374_100000721315 [0,2,0,0,0,0|2,0,0]=4 13371 B17R2.3417 CN(Cc1ccccn1)c2ccccc2Cl 269982a_100000219374_100000721315 [0,2,0,0,0,0|2,0,0]=4 13372 B17R2.3417 CN(Cc1ccccn1)c2ccccc2Cl 34a_100000219374_100000721315 [0,2,0,0,0,0|2,0,0]=4 13373 B17R2.3417 CN(Cc1ccccn1)c2ccccc2F 2230a_100000220357_100000721315 [0,2,0,0,0,0|2,0,0]=4 13374 B17R2.3417 CN(Cc1ccccn1)c2ccccc2F 269982a_100000220357_100000721315 [0,2,0,0,0,0|2,0,0]=4 13375 B17R2.3417 CN(Cc1ccccn1)c2ccccc2F 34a_100000220357_100000721315 [0,2,0,0,0,0|2,0,0]=4 13376 B17R2.3417 CN(Cc1ccccn1)c2ccccc2F 38a_100000220357_100000721315 [0,2,0,0,0,0|2,0,0]=4 13377 B17R2.3417 CN(Cc1ccccn1)c2ccccc2O 269982a_100000033821_100000721315 [0,2,0,0,0,0|2,0,0]=4 13378 B17R2.3417 CN(Cc1cccnc1)c2ccccc2Br 2230a_100020606079_100000741622 [0,2,0,0,0,0|0,0,0]=2 13379 B17R2.3417 CN(Cc1cccnc1)c2ccccc2Br 269982a_100020606079_100000733263 [0,2,0,0,0,0|0,0,0]=2 13380 B17R2.3417 CN(Cc1cccnc1)c2ccccc2Br 34a_100020606079_100000733263 [0,2,0,0,0,0|0,0,0]=2 13381 B17R2.3417 CN(Cc1cccnc1)c2ccccc2Cl 2230a_100000219374_100000741622 [0,2,0,0,0,0|0,0,0]=2 13382 B17R2.3417 CN(Cc1cccnc1)c2ccccc2Cl 269982a_100000219374_100000733263 [0,2,0,0,0,0|0,0,0]=2 13383 B17R2.3417 CN(Cc1cccnc1)c2ccccc2Cl 34a_100000219374_100000733263 [0,2,0,0,0,0|0,0,0]=2 13384 B17R2.3417 CN(Cc1cccnc1)c2ccccc2F 2230a_100000220357_100000741622 [0,2,0,0,0,0|0,0,0]=2 13385 B17R2.3417 CN(Cc1cccnc1)c2ccccc2F 269982a_100000220357_100000733263 [0,2,0,0,0,0|0,0,0]=2 13386 B17R2.3417 CN(Cc1cccnc1)c2ccccc2F 34a_100000220357_100000733263 [0,2,0,0,0,0|0,0,0]=2 13387 B17R2.3417 CN(Cc1cccnc1)c2ccccc2F 38a_100000220357_100000733263 [0,2,0,0,0,0|0,0,0]=2 13388 B17R2.3417 CN(Cc1cccnc1)c2ccccc2O 269982a_100000033821_100000733263 [0,2,0,0,0,0|0,0,0]=2 13389 B17R2.3417 CN(Cc1cccnc1)c2ccn[nH]c2=O 27a_100000184577_100000087129 [0,2,0,0,0,0|2,0,0]=4 13390 B17R2.3417 CN(Cc1cccnc1)c2ccncc2Br 27a_100000184577_100000726257 [0,2,0,0,0,0|1,0,0]=3 13391 B17R2.3417 CN(Cc1cccnc1)c2ccncc2F 27a_100000184577_100000035921 [0,2,0,0,0,0|1,0,0]=3 13392 B17R2.3417 CN(Cc1cccnc1)c2ncccc2Br 27a_100000184577_100000696092 [0,2,0,0,0,0|1,0,0]=3 13393 B17R2.3417 CN(Cc1cccnc1)c2nccnc2F 27a_100000184577_200010125657 [0,2,0,0,0,0|2,0,0]=4 13394 B17R2.3417 CN(Cc1cccnc1)c2ncncc2F 27a_100000184577_100000069762 [0,2,0,0,0,0|2,0,0]=4 13395 B17R2.3417 CN(Cc1cccnc1)c2ncncc2N 27a_100000184577_100000709731 [0,2,0,0,0,0|2,0,0]=4 13396 B17R2.3417 CN(Cc1cccnn1)c2ccccc2Br 2230a_100020606079_100016990269 [0,2,0,0,0,0|1,0,0]=3 13397 B17R2.3417 CN(Cc1cccnn1)c2ccccc2Br 34a_100020606079_100016990269 [0,2,0,0,0,0|1,0,0]=3 13398 B17R2.3417 CN(Cc1cccnn1)c2ccccc2Cl 2230a_100000219374_100016990269 [0,2,0,0,0,0|1,0,0]=3 13399 B17R2.3417 CN(Cc1cccnn1)c2ccccc2Cl 34a_100000219374_100016990269 [0,2,0,0,0,0|1,0,0]=3 13400 B17R2.3417 CN(Cc1cccnn1)c2ccccc2F 2230a_100000220357_100016990269 [0,2,0,0,0,0|1,0,0]=3 13401 B17R2.3417 CN(Cc1cccnn1)c2ccccc2F 34a_100000220357_100016990269 [0,2,0,0,0,0|1,0,0]=3 13402 B17R2.3417 CN(Cc1ccncc1)c2ccccc2Br 2230a_100020606079_100015193705 [0,2,0,0,0,0|2,0,0]=4 13403 B17R2.3417 CN(Cc1ccncc1)c2ccccc2Br 269982a_100020606079_100015193705 [0,2,0,0,0,0|2,0,0]=4 13404 B17R2.3417 CN(Cc1ccncc1)c2ccccc2Cl 2230a_100000219374_100015193705 [0,2,0,0,0,0|2,0,0]=4 13405 B17R2.3417 CN(Cc1ccncc1)c2ccccc2Cl 269982a_100000219374_100015193705 [0,2,0,0,0,0|2,0,0]=4 13406 B17R2.3417 CN(Cc1ccncc1)c2ccccc2F 2230a_100000220357_100015193705 [0,2,0,0,0,0|2,0,0]=4 13407 B17R2.3417 CN(Cc1ccncc1)c2ccccc2F 269982a_100000220357_100015193705 [0,2,0,0,0,0|2,0,0]=4 13408 B17R2.3417 CN(Cc1ccncc1)c2ccccc2F 38a_100000220357_100015193705 [0,2,0,0,0,0|2,0,0]=4 13409 B17R2.3417 CN(Cc1ccncc1)c2ccccc2O 269982a_100000033821_100015193705 [0,2,0,0,0,0|2,0,0]=4 13410 B17R2.3417 CN(Cc1cnccn1)c2ccccc2Br 2230a_100020606079_100016995436 [0,2,0,0,0,0|1,0,0]=3 13411 B17R2.3417 CN(Cc1cnccn1)c2ccccc2Br 269982a_100020606079_100016995436 [0,2,0,0,0,0|1,0,0]=3 13412 B17R2.3417 CN(Cc1cnccn1)c2ccccc2Br 34a_100020606079_100016995436 [0,2,0,0,0,0|1,0,0]=3 13413 B17R2.3417 CN(Cc1cnccn1)c2ccccc2Cl 2230a_100000219374_100016995436 [0,2,0,0,0,0|1,0,0]=3 13414 B17R2.3417 CN(Cc1cnccn1)c2ccccc2Cl 269982a_100000219374_100016995436 [0,2,0,0,0,0|1,0,0]=3 13415 B17R2.3417 CN(Cc1cnccn1)c2ccccc2Cl 34a_100000219374_100016995436 [0,2,0,0,0,0|1,0,0]=3 13416 B17R2.3417 CN(Cc1cnccn1)c2ccccc2F 2230a_100000220357_100016995436 [0,2,0,0,0,0|1,0,0]=3 13417 B17R2.3417 CN(Cc1cnccn1)c2ccccc2F 269982a_100000220357_100016995436 [0,2,0,0,0,0|1,0,0]=3 13418 B17R2.3417 CN(Cc1cnccn1)c2ccccc2F 34a_100000220357_100016995436 [0,2,0,0,0,0|1,0,0]=3 13419 B17R2.3417 CN(Cc1cnccn1)c2ccccc2F 38a_100000220357_100016995436 [0,2,0,0,0,0|1,0,0]=3 13420 B17R2.3417 CN(Cc1cnccn1)c2ccccc2O 269982a_100000033821_100016995436 [0,2,0,0,0,0|1,0,0]=3 13421 B17R2.3417 CN(Cc1cnccn1)c2ccncc2Br 27a_100011269079_100000726257 [0,2,0,0,0,0|2,0,0]=4 13422 B17R2.3417 CN(Cc1cnccn1)c2ccncc2F 27a_100011269079_100000035921 [0,2,0,0,0,0|2,0,0]=4 13423 B17R2.3417 CN(Cc1cnccn1)c2ncccc2Br 27a_100011269079_100000696092 [0,2,0,0,0,0|2,0,0]=4 13424 B17R2.3417 CN(Cc1cncnc1)c2ccccc2Br 2230a_100020606079_100015196519 [0,2,0,0,0,0|1,0,0]=3 13425 B17R2.3417 CN(Cc1cncnc1)c2ccccc2Br 269982a_100020606079_100016991940 [0,2,0,0,0,0|1,0,0]=3 13426 B17R2.3417 CN(Cc1cncnc1)c2ccccc2Br 34a_100020606079_100015196519 [0,2,0,0,0,0|1,0,0]=3 13427 B17R2.3417 CN(Cc1cncnc1)c2ccccc2Cl 2230a_100000219374_100015196519 [0,2,0,0,0,0|1,0,0]=3 13428 B17R2.3417 CN(Cc1cncnc1)c2ccccc2Cl 269982a_100000219374_100016991940 [0,2,0,0,0,0|1,0,0]=3 13429 B17R2.3417 CN(Cc1cncnc1)c2ccccc2Cl 34a_100000219374_100015196519 [0,2,0,0,0,0|1,0,0]=3 13430 B17R2.3417 CN(Cc1cncnc1)c2ccccc2F 2230a_100000220357_100015196519 [0,2,0,0,0,0|1,0,0]=3 13431 B17R2.3417 CN(Cc1cncnc1)c2ccccc2F 269982a_100000220357_100016991940 [0,2,0,0,0,0|1,0,0]=3 13432 B17R2.3417 CN(Cc1cncnc1)c2ccccc2F 34a_100000220357_100015196519 [0,2,0,0,0,0|1,0,0]=3 13433 B17R2.3417 CN(Cc1cncnc1)c2ccccc2F 38a_100000220357_100015196519 [0,2,0,0,0,0|1,0,0]=3 13434 B17R2.3417 CN(Cc1cncnc1)c2ccccc2O 269982a_100000033821_100016991940 [0,2,0,0,0,0|1,0,0]=3 13435 B17R2.3417 Cc1ccccc1C(=O)Cc2ccccc2 1458a_100000212026_100015291786 [0,2,0,0,0,0|2,0,0]=4 13436 B17R2.3417 Cc1ccccc1C(=O)Cc2cccnc2 1458a_100000212026_100000733263 [0,2,0,0,0,0|1,0,0]=3 13437 B17R2.3417 Cc1ccccc1C(=O)Cc2cccnn2 1458a_100000212026_100016990269 [0,2,0,0,0,0|2,0,0]=4 13438 B17R2.3417 Cc1ccccc1C(=O)Cc2cnccn2 1458a_100000212026_100016995436 [0,2,0,0,0,0|2,0,0]=4 13439 B17R2.3417 Cc1ccccc1C(=O)Cc2cncnc2 1458a_100000212026_100015196519 [0,2,0,0,0,0|2,0,0]=4 13440 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 11a_100000106764_100000212026 [0,2,0,0,0,0|1,0,1]=4 13441 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 1626a_100000106764_100000212026 [0,2,0,0,0,0|1,0,1]=4 13442 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 22a_100000106764_100000212026 [0,2,0,0,0,0|1,0,1]=4 13443 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 527a_100000106764_100000212026 [0,2,0,0,0,0|1,0,1]=4 13444 B17R2.3417 Cc1ccccc1N(C)Cc2ccccc2 2230a_100000219699_100015291786 [0,2,0,0,0,0|1,0,0]=3 13445 B17R2.3417 Cc1ccccc1N(C)Cc2ccccc2 2230a_100102946366_200000210301 [0,2,0,0,0,0|1,0,0]=3 13446 B17R2.3417 Cc1ccccc1N(C)Cc2ccccc2 269982a_100000219699_100000211182 [0,2,0,0,0,0|1,0,0]=3 13447 B17R2.3417 Cc1ccccc1N(C)Cc2ccccc2 269982a_100102946366_200000210301 [0,2,0,0,0,0|1,0,0]=3 13448 B17R2.3417 Cc1ccccc1N(C)Cc2ccccc2 34a_100000219699_100015291786 [0,2,0,0,0,0|1,0,0]=3 13449 B17R2.3417 Cc1ccccc1N(C)Cc2ccccc2 34a_100102946366_200000210301 [0,2,0,0,0,0|1,0,0]=3 13450 B17R2.3417 Cc1ccccc1N(C)Cc2ccccn2 2230a_100000219699_100000721315 [0,2,0,0,0,0|2,0,0]=4 13451 B17R2.3417 Cc1ccccc1N(C)Cc2ccccn2 269982a_100000219699_100000721315 [0,2,0,0,0,0|2,0,0]=4 13452 B17R2.3417 Cc1ccccc1N(C)Cc2ccccn2 34a_100000219699_100000721315 [0,2,0,0,0,0|2,0,0]=4 13453 B17R2.3417 Cc1ccccc1N(C)Cc2cccnc2 2230a_100000219699_100000741622 [0,2,0,0,0,0|0,0,0]=2 13454 B17R2.3417 Cc1ccccc1N(C)Cc2cccnc2 269982a_100000219699_100000733263 [0,2,0,0,0,0|0,0,0]=2 13455 B17R2.3417 Cc1ccccc1N(C)Cc2cccnc2 34a_100000219699_100000733263 [0,2,0,0,0,0|0,0,0]=2 13456 B17R2.3417 Cc1ccccc1N(C)Cc2cccnn2 2230a_100000219699_100016990269 [0,2,0,0,0,0|1,0,0]=3 13457 B17R2.3417 Cc1ccccc1N(C)Cc2cccnn2 34a_100000219699_100016990269 [0,2,0,0,0,0|1,0,0]=3 13458 B17R2.3417 Cc1ccccc1N(C)Cc2ccncc2 2230a_100000219699_100015193705 [0,2,0,0,0,0|2,0,0]=4 13459 B17R2.3417 Cc1ccccc1N(C)Cc2ccncc2 269982a_100000219699_100015193705 [0,2,0,0,0,0|2,0,0]=4 13460 B17R2.3417 Cc1ccccc1N(C)Cc2cnccn2 2230a_100000219699_100016995436 [0,2,0,0,0,0|1,0,0]=3 13461 B17R2.3417 Cc1ccccc1N(C)Cc2cnccn2 269982a_100000219699_100016995436 [0,2,0,0,0,0|1,0,0]=3 13462 B17R2.3417 Cc1ccccc1N(C)Cc2cnccn2 34a_100000219699_100016995436 [0,2,0,0,0,0|1,0,0]=3 13463 B17R2.3417 Cc1ccccc1N(C)Cc2cncnc2 2230a_100000219699_100015196519 [0,2,0,0,0,0|1,0,0]=3 13464 B17R2.3417 Cc1ccccc1N(C)Cc2cncnc2 269982a_100000219699_100016991940 [0,2,0,0,0,0|1,0,0]=3 13465 B17R2.3417 Cc1ccccc1N(C)Cc2cncnc2 34a_100000219699_100015196519 [0,2,0,0,0,0|1,0,0]=3 13466 B17R2.3417 Cc1ccccc1N([13CH3])Cc2ccccc2 2230a_100102946366_200025704644 [0,2,0,0,0,0|1,0,0]=3 13467 B17R2.3417 Cc1ccccc1N([13CH3])Cc2ccccc2 269982a_100102946366_200025704644 [0,2,0,0,0,0|1,0,0]=3 13468 B17R2.3417 Cc1ccccc1N([13CH3])Cc2ccccc2 34a_100102946366_200025704644 [0,2,0,0,0,0|1,0,0]=3 13469 B17R2.3417 Cc1ccnnc1N(C)Cc2cccnc2 27a_100000184577_100000089043 [0,2,0,0,0,0|2,0,0]=4 13470 B17R2.3417 Cc1cnccc1N(C)Cc2ccccc2 27a_100000186898_100000765111 [0,2,0,0,0,0|2,0,0]=4 13471 B17R2.3417 Cc1cnccc1N(C)Cc2cccnc2 27a_100000184577_100000765111 [0,2,0,0,0,0|1,0,0]=3 13472 B17R2.3417 Cc1cnccc1N(C)Cc2cnccn2 27a_100011269079_100000765111 [0,2,0,0,0,0|2,0,0]=4 13473 B17R2.3417 Cc1cncnc1N(C)Cc2cccnc2 27a_100000184577_100011998708 [0,2,0,0,0,0|2,0,0]=4 13474 B17R2.3417 Cc1nccnc1N(C)Cc2cccnc2 27a_100000184577_100011999405 [0,2,0,0,0,0|2,0,0]=4 13475 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2Br 1458a_100000188424_100015291786 [0,2,0,0,0,0|2,0,0]=4 13476 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2Cl 1458a_100000185844_100015291786 [0,2,0,0,0,0|2,0,0]=4 13477 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2F 1458a_100000188656_100015291786 [0,2,0,0,0,0|2,0,0]=4 13478 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2I 1458a_100000187884_100015291786 [0,2,0,0,0,0|2,0,0]=4 13479 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2O 1458a_100015234032_100015291786 [0,2,0,0,0,0|2,0,0]=4 13480 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2[O-] 1458a_100009911694_100015291786 [0,2,0,0,0,0|2,0,0]=4 13481 B17R2.3417 O=C(Cc1cccnc1)c2ccccc2Br 1458a_100000188424_100000733263 [0,2,0,0,0,0|1,0,0]=3 13482 B17R2.3417 O=C(Cc1cccnc1)c2ccccc2Cl 1458a_100000185844_100000733263 [0,2,0,0,0,0|1,0,0]=3 13483 B17R2.3417 O=C(Cc1cccnc1)c2ccccc2F 1458a_100000188656_100000733263 [0,2,0,0,0,0|1,0,0]=3 13484 B17R2.3417 O=C(Cc1cccnc1)c2ccccc2I 1458a_100000187884_100000733263 [0,2,0,0,0,0|1,0,0]=3 13485 B17R2.3417 O=C(Cc1cccnc1)c2ccccc2O 1458a_100015234032_100000733263 [0,2,0,0,0,0|1,0,0]=3 13486 B17R2.3417 O=C(Cc1cccnc1)c2ccccc2[O-] 1458a_100009911694_100000733263 [0,2,0,0,0,0|1,0,0]=3 13487 B17R2.3417 O=C(Cc1cccnn1)c2ccccc2Br 1458a_100000188424_100016990269 [0,2,0,0,0,0|2,0,0]=4 13488 B17R2.3417 O=C(Cc1cccnn1)c2ccccc2Cl 1458a_100000185844_100016990269 [0,2,0,0,0,0|2,0,0]=4 13489 B17R2.3417 O=C(Cc1cccnn1)c2ccccc2F 1458a_100000188656_100016990269 [0,2,0,0,0,0|2,0,0]=4 13490 B17R2.3417 O=C(Cc1cccnn1)c2ccccc2I 1458a_100000187884_100016990269 [0,2,0,0,0,0|2,0,0]=4 13491 B17R2.3417 O=C(Cc1cccnn1)c2ccccc2O 1458a_100015234032_100016990269 [0,2,0,0,0,0|2,0,0]=4 13492 B17R2.3417 O=C(Cc1cccnn1)c2ccccc2[O-] 1458a_100009911694_100016990269 [0,2,0,0,0,0|2,0,0]=4 13493 B17R2.3417 O=C(Cc1cnccn1)c2ccccc2Br 1458a_100000188424_100016995436 [0,2,0,0,0,0|2,0,0]=4 13494 B17R2.3417 O=C(Cc1cnccn1)c2ccccc2Cl 1458a_100000185844_100016995436 [0,2,0,0,0,0|2,0,0]=4 13495 B17R2.3417 O=C(Cc1cnccn1)c2ccccc2F 1458a_100000188656_100016995436 [0,2,0,0,0,0|2,0,0]=4 13496 B17R2.3417 O=C(Cc1cnccn1)c2ccccc2I 1458a_100000187884_100016995436 [0,2,0,0,0,0|2,0,0]=4 13497 B17R2.3417 O=C(Cc1cnccn1)c2ccccc2O 1458a_100015234032_100016995436 [0,2,0,0,0,0|2,0,0]=4 13498 B17R2.3417 O=C(Cc1cnccn1)c2ccccc2[O-] 1458a_100009911694_100016995436 [0,2,0,0,0,0|2,0,0]=4 13499 B17R2.3417 O=C(Cc1cncnc1)c2ccccc2Br 1458a_100000188424_100015196519 [0,2,0,0,0,0|2,0,0]=4 13500 B17R2.3417 O=C(Cc1cncnc1)c2ccccc2Cl 1458a_100000185844_100015196519 [0,2,0,0,0,0|2,0,0]=4 13501 B17R2.3417 O=C(Cc1cncnc1)c2ccccc2F 1458a_100000188656_100015196519 [0,2,0,0,0,0|2,0,0]=4 13502 B17R2.3417 O=C(Cc1cncnc1)c2ccccc2I 1458a_100000187884_100015196519 [0,2,0,0,0,0|2,0,0]=4 13503 B17R2.3417 O=C(Cc1cncnc1)c2ccccc2O 1458a_100015234032_100015196519 [0,2,0,0,0,0|2,0,0]=4 13504 B17R2.3417 O=C(Cc1cncnc1)c2ccccc2[O-] 1458a_100009911694_100015196519 [0,2,0,0,0,0|2,0,0]=4 13505 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Br 11a_100000106764_100000188424 [0,2,0,0,0,0|1,0,1]=4 13506 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Br 1626a_100000106764_100000188424 [0,2,0,0,0,0|1,0,1]=4 13507 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Br 22a_100000106764_100000188424 [0,2,0,0,0,0|1,0,1]=4 13508 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Br 527a_100000106764_100000188424 [0,2,0,0,0,0|1,0,1]=4 13509 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Cl 11a_100000106764_100000185844 [0,2,0,0,0,0|1,0,1]=4 13510 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Cl 1626a_100000106764_100000185844 [0,2,0,0,0,0|1,0,1]=4 13511 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Cl 22a_100000106764_100000185844 [0,2,0,0,0,0|1,0,1]=4 13512 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Cl 527a_100000106764_100000185844 [0,2,0,0,0,0|1,0,1]=4 13513 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2F 11a_100000106764_100000188656 [0,2,0,0,0,0|1,0,1]=4 13514 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2F 1626a_100000106764_100000188656 [0,2,0,0,0,0|1,0,1]=4 13515 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2F 22a_100000106764_100000188656 [0,2,0,0,0,0|1,0,1]=4 13516 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2F 527a_100000106764_100000188656 [0,2,0,0,0,0|1,0,1]=4 13517 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2I 11a_100000106764_100000187884 [0,2,0,0,0,0|1,0,1]=4 13518 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2I 1626a_100000106764_100000187884 [0,2,0,0,0,0|1,0,1]=4 13519 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2I 22a_100000106764_100000187884 [0,2,0,0,0,0|1,0,1]=4 13520 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2I 527a_100000106764_100000187884 [0,2,0,0,0,0|1,0,1]=4 13521 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2O 22a_100000106764_100015234032 [0,2,0,0,0,0|1,0,1]=4 13522 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2[O-] 1626a_100000106764_100009911694 [0,2,0,0,0,0|1,0,1]=4 13523 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2[O-] 22a_100000106764_100009911694 [0,2,0,0,0,0|1,0,1]=4 13524 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2[O-] 527a_100000106764_100009911694 [0,2,0,0,0,0|1,0,1]=4 13525 B17R2.3417 [13CH3]N(Cc1ccccc1)c2ccccc2F 2230a_100025753533_200025704644 [0,2,0,0,0,0|1,0,0]=3 13526 B17R2.3417 [13CH3]N(Cc1ccccc1)c2ccccc2F 269982a_100025753533_200025704644 [0,2,0,0,0,0|1,0,0]=3 13527 B17R2.3417 [13CH3]N(Cc1ccccc1)c2ccccc2F 34a_100025753533_200025704644 [0,2,0,0,0,0|1,0,0]=3 13528 B17R2.3426 CC(Cc1c[nH]ccc1=O)c2ccccc2 271570a_100000062452_100009998708 [0,2,0,0,0,0|1,0,1]=4 13529 B17R2.3426 CC(Cc1c[nH]ccc1=S)c2ccccc2 271570a_100000062452_200012280681 [0,2,0,0,0,0|1,0,1]=4 13530 B17R2.3426 CC(Cc1ccc[nH]c1=O)c2ccccc2 271570a_100000062452_100000050042 [0,2,0,0,0,0|1,0,1]=4 13531 B17R2.3426 CC(Cc1ccccc1Br)c2ccccc2 271570a_100000062452_100000695589 [0,2,0,0,0,0|2,0,0]=4 13532 B17R2.3426 CC(Cc1ccccc1Cl)c2ccccc2 271570a_100000062452_100000764095 [0,2,0,0,0,0|2,0,0]=4 13533 B17R2.3426 CC(Cc1ccccc1F)c2ccccc2 271570a_100000062452_100011215700 [0,2,0,0,0,0|2,0,0]=4 13534 B17R2.3426 CC(Cc1ccccc1N)c2ccccc2 271570a_100000062452_100000210017 [0,2,0,0,0,0|2,0,0]=4 13535 B17R2.3426 CC(Cc1ccccc1O)c2ccccc2 271570a_100000062452_100000739446 [0,2,0,0,0,0|2,0,0]=4 13536 B17R2.3426 CC(Cc1cccnc1Br)c2ccccc2 271570a_100000062452_100010202626 [0,2,0,0,0,0|1,0,0]=3 13537 B17R2.3426 CC(Cc1cccnc1Cl)c2ccccc2 271570a_100000062452_100000036424 [0,2,0,0,0,0|1,0,0]=3 13538 B17R2.3426 CC(Cc1cccnc1F)c2ccccc2 271570a_100000062452_100009816115 [0,2,0,0,0,0|1,0,0]=3 13539 B17R2.3426 CC(Cc1cccnc1N)c2ccccc2 271570a_100000062452_100000045569 [0,2,0,0,0,0|1,0,0]=3 13540 B17R2.3426 CC(Cc1cnccc1Br)c2ccccc2 271570a_100000062452_100010138639 [0,2,0,0,0,0|1,0,0]=3 13541 B17R2.3426 CC(Cc1cnccc1Cl)c2ccccc2 271570a_100000062452_100009995489 [0,2,0,0,0,0|1,0,0]=3 13542 B17R2.3426 CC(Cc1cnccc1F)c2ccccc2 271570a_100000062452_100009820683 [0,2,0,0,0,0|1,0,0]=3 13543 B17R2.3426 CC(Cc1cnccc1N)c2ccccc2 271570a_100000062452_100000047001 [0,2,0,0,0,0|1,0,0]=3 13544 B17R2.3426 CC(Cc1cncnc1Br)c2ccccc2 271570a_100000062452_200012461658 [0,2,0,0,0,0|2,0,0]=4 13545 B17R2.3426 CC(Cc1cncnc1Cl)c2ccccc2 271570a_100000062452_100000758962 [0,2,0,0,0,0|2,0,0]=4 13546 B17R2.3426 CC(Cc1cncnc1N)c2ccccc2 271570a_100000062452_100011996079 [0,2,0,0,0,0|2,0,0]=4 13547 B17R2.3426 CC(Cc1cncnc1O)c2ccccc2 271570a_100000062452_100000751107 [0,2,0,0,0,0|2,0,0]=4 13548 B17R2.3426 CC(Cc1cnncc1N)c2ccccc2 271570a_100000062452_100009829405 [0,2,0,0,0,0|2,0,0]=4 13549 B17R2.3426 CC(Cc1nccnc1F)c2ccccc2 271570a_100000062452_200010125657 [0,2,0,0,0,0|2,0,0]=4 13550 B17R2.3426 CC(Cc1nccnc1N)c2ccccc2 271570a_100000062452_100000747729 [0,2,0,0,0,0|2,0,0]=4 13551 B17R2.3426 CC(Nc1ccccc1Br)c2ccccc2 34a_100000210017_100000211855 [0,2,0,0,0,0|1,0,0]=3 13552 B17R2.3426 CC(Nc1ccccc1Cl)c2ccccc2 34a_100000185783_100000211855 [0,2,0,0,0,0|1,0,0]=3 13553 B17R2.3426 CC(Nc1ccccc1F)c2ccccc2 34a_100000210422_100000211855 [0,2,0,0,0,0|1,0,0]=3 13554 B17R2.3426 CC(Nc1ccccc1I)c2ccccc2 34a_100000210053_100000211855 [0,2,0,0,0,0|1,0,0]=3 13555 B17R2.3426 CC(Nc1ccccc1O)c2ccccc2 34a_100000185747_100000211855 [0,2,0,0,0,0|1,0,0]=3 13556 B17R2.3426 CC(Nc1ccn[nH]c1=O)c2cccnc2 27a_100000195435_100000087129 [0,2,0,0,0,0|2,0,0]=4 13557 B17R2.3426 CC(Nc1ccncc1Br)c2cccnc2 27a_100000195435_100000726257 [0,2,0,0,0,0|1,0,0]=3 13558 B17R2.3426 CC(Nc1ccncc1F)c2cccnc2 27a_100000195435_100000035921 [0,2,0,0,0,0|1,0,0]=3 13559 B17R2.3426 CC(Nc1ncccc1Br)c2cccnc2 27a_100000195435_100000696092 [0,2,0,0,0,0|1,0,0]=3 13560 B17R2.3426 CC(Nc1nccnc1F)c2cccnc2 27a_100000195435_200010125657 [0,2,0,0,0,0|2,0,0]=4 13561 B17R2.3426 CC(Nc1ncncc1F)c2cccnc2 27a_100000195435_100000069762 [0,2,0,0,0,0|2,0,0]=4 13562 B17R2.3426 CC(Nc1ncncc1N)c2cccnc2 27a_100000195435_100000709731 [0,2,0,0,0,0|2,0,0]=4 13563 B17R2.3426 CC(Oc1ccccc1Br)c2ccccc2 34a_100000181306_100000211855 [0,2,0,0,0,0|2,0,0]=4 13564 B17R2.3426 CC(Oc1ccccc1Br)c2ccccc2 7a_100000181306_100000230085 [0,2,0,0,0,0|2,0,0]=4 13565 B17R2.3426 CC(Oc1ccccc1Br)c2cnccn2 7a_100000181306_200000703233 [0,2,0,0,0,0|2,0,0]=4 13566 B17R2.3426 CC(Oc1ccccc1Cl)c2ccccc2 34a_100000210172_100000211855 [0,2,0,0,0,0|2,0,0]=4 13567 B17R2.3426 CC(Oc1ccccc1Cl)c2ccccc2 7a_100000210172_100000230085 [0,2,0,0,0,0|2,0,0]=4 13568 B17R2.3426 CC(Oc1ccccc1Cl)c2cnccn2 7a_100000210172_200000703233 [0,2,0,0,0,0|2,0,0]=4 13569 B17R2.3426 CC(Oc1ccccc1F)c2ccccc2 34a_100000210171_100000211855 [0,2,0,0,0,0|2,0,0]=4 13570 B17R2.3426 CC(Oc1ccccc1F)c2ccccc2 7a_100000210171_100000230085 [0,2,0,0,0,0|2,0,0]=4 13571 B17R2.3426 CC(Oc1ccccc1F)c2cnccn2 7a_100000210171_200000703233 [0,2,0,0,0,0|2,0,0]=4 13572 B17R2.3426 CC(Oc1ccccc1I)c2ccccc2 34a_100000739446_100000211855 [0,2,0,0,0,0|2,0,0]=4 13573 B17R2.3426 CC(Oc1ccccc1I)c2ccccc2 7a_100000739446_100000230085 [0,2,0,0,0,0|2,0,0]=4 13574 B17R2.3426 CC(Oc1ccccc1I)c2cnccn2 7a_100000739446_200000703233 [0,2,0,0,0,0|2,0,0]=4 13575 B17R2.3426 CC(Oc1ccccc1N)c2ccccc2 34a_100000185747_100000211855 [0,2,0,0,0,0|2,0,0]=4 13576 B17R2.3426 CC(Oc1ccccc1N)c2ccccc2 7a_100000185747_100000230085 [0,2,0,0,0,0|2,0,0]=4 13577 B17R2.3426 CC(Oc1ccccc1N)c2cnccn2 7a_100000185747_200000703233 [0,2,0,0,0,0|2,0,0]=4 13578 B17R2.3426 CC(Oc1cccnc1Br)c2ccccc2 34a_100000744436_100000211855 [0,2,0,0,0,0|2,0,0]=4 13579 B17R2.3426 CC(Oc1cccnc1Br)c2ccccc2 7a_100000744436_100000230085 [0,2,0,0,0,0|2,0,0]=4 13580 B17R2.3426 CC(Oc1cccnc1Cl)c2ccccc2 34a_100000757616_100000211855 [0,2,0,0,0,0|2,0,0]=4 13581 B17R2.3426 CC(Oc1cccnc1Cl)c2ccccc2 7a_100000757616_100000230085 [0,2,0,0,0,0|2,0,0]=4 13582 B17R2.3426 CC(Oc1cccnc1F)c2ccccc2 34a_100000061740_100000211855 [0,2,0,0,0,0|2,0,0]=4 13583 B17R2.3426 CC(Oc1cccnc1F)c2ccccc2 7a_100000061740_100000230085 [0,2,0,0,0,0|2,0,0]=4 13584 B17R2.3426 CC(Oc1cccnc1I)c2ccccc2 34a_100000034122_100000211855 [0,2,0,0,0,0|2,0,0]=4 13585 B17R2.3426 CC(Oc1cccnc1I)c2ccccc2 7a_100000034122_100000230085 [0,2,0,0,0,0|2,0,0]=4 13586 B17R2.3426 CC(Oc1cccnc1N)c2ccccc2 34a_100000211975_100000211855 [0,2,0,0,0,0|2,0,0]=4 13587 B17R2.3426 CC(Oc1cccnc1N)c2ccccc2 7a_100000211975_100000230085 [0,2,0,0,0,0|2,0,0]=4 13588 B17R2.3426 CC(Oc1cnccc1Cl)c2ccccc2 34a_100011996695_100000211855 [0,2,0,0,0,0|2,0,0]=4 13589 B17R2.3426 CC(Oc1cnccc1I)c2ccccc2 34a_100000050107_100000211855 [0,2,0,0,0,0|2,0,0]=4 13590 B17R2.3426 CC(Oc1cnccc1N)c2ccccc2 34a_100000753702_100000211855 [0,2,0,0,0,0|2,0,0]=4 13591 B17R2.3426 CC(Sc1ccccc1Br)c2ccccc2 62a_100000230085_100000695589 [0,2,0,0,0,0|2,0,0]=4 13592 B17R2.3426 CC(Sc1ccccc1Br)c2ccccc2 62a_100000695589_100000230085 [0,2,0,0,0,0|2,0,0]=4 13593 B17R2.3426 CC(Sc1ccccc1Br)c2cnccn2 62a_100000695589_200000703233 [0,2,0,0,0,0|2,0,0]=4 13594 B17R2.3426 CC(Sc1ccccc1Br)c2cnccn2 62a_200000703233_100000695589 [0,2,0,0,0,0|2,0,0]=4 13595 B17R2.3426 CC(Sc1ccccc1Cl)c2ccccc2 62a_100000230085_100000764095 [0,2,0,0,0,0|2,0,0]=4 13596 B17R2.3426 CC(Sc1ccccc1Cl)c2ccccc2 62a_100000764095_100000230085 [0,2,0,0,0,0|2,0,0]=4 13597 B17R2.3426 CC(Sc1ccccc1Cl)c2cnccn2 62a_100000764095_200000703233 [0,2,0,0,0,0|2,0,0]=4 13598 B17R2.3426 CC(Sc1ccccc1Cl)c2cnccn2 62a_200000703233_100000764095 [0,2,0,0,0,0|2,0,0]=4 13599 B17R2.3426 CC(Sc1ccccc1F)c2ccccc2 62a_100000230085_100011215700 [0,2,0,0,0,0|2,0,0]=4 13600 B17R2.3426 CC(Sc1ccccc1F)c2ccccc2 62a_100011215700_100000230085 [0,2,0,0,0,0|2,0,0]=4 13601 B17R2.3426 CC(Sc1ccccc1F)c2cnccn2 62a_100011215700_200000703233 [0,2,0,0,0,0|2,0,0]=4 13602 B17R2.3426 CC(Sc1ccccc1F)c2cnccn2 62a_200000703233_100011215700 [0,2,0,0,0,0|2,0,0]=4 13603 B17R2.3426 CC(Sc1ccccc1N)c2ccccc2 62a_100000210017_100000230085 [0,2,0,0,0,0|2,0,0]=4 13604 B17R2.3426 CC(Sc1ccccc1N)c2ccccc2 62a_100000230085_100000210017 [0,2,0,0,0,0|2,0,0]=4 13605 B17R2.3426 CC(Sc1ccccc1N)c2cnccn2 62a_100000210017_200000703233 [0,2,0,0,0,0|2,0,0]=4 13606 B17R2.3426 CC(Sc1ccccc1N)c2cnccn2 62a_200000703233_100000210017 [0,2,0,0,0,0|2,0,0]=4 13607 B17R2.3426 CC(Sc1ccccc1O)c2ccccc2 62a_100000230085_100000739446 [0,2,0,0,0,0|2,0,0]=4 13608 B17R2.3426 CC(Sc1ccccc1O)c2ccccc2 62a_100000739446_100000230085 [0,2,0,0,0,0|2,0,0]=4 13609 B17R2.3426 CC(Sc1ccccc1O)c2cnccn2 62a_100000739446_200000703233 [0,2,0,0,0,0|2,0,0]=4 13610 B17R2.3426 CC(Sc1ccccc1O)c2cnccn2 62a_200000703233_100000739446 [0,2,0,0,0,0|2,0,0]=4 13611 B17R2.3426 CC(Sc1cccnc1Br)c2ccccc2 62a_100000230085_100010202626 [0,2,0,0,0,0|2,0,0]=4 13612 B17R2.3426 CC(Sc1cccnc1Br)c2ccccc2 62a_100010202626_100000230085 [0,2,0,0,0,0|2,0,0]=4 13613 B17R2.3426 CC(Sc1cccnc1Cl)c2ccccc2 62a_100000036424_100000230085 [0,2,0,0,0,0|2,0,0]=4 13614 B17R2.3426 CC(Sc1cccnc1Cl)c2ccccc2 62a_100000230085_100000036424 [0,2,0,0,0,0|2,0,0]=4 13615 B17R2.3426 CC(Sc1cccnc1F)c2ccccc2 62a_100000230085_100009816115 [0,2,0,0,0,0|2,0,0]=4 13616 B17R2.3426 CC(Sc1cccnc1F)c2ccccc2 62a_100009816115_100000230085 [0,2,0,0,0,0|2,0,0]=4 13617 B17R2.3426 CC(Sc1cccnc1N)c2ccccc2 62a_100000045569_100000230085 [0,2,0,0,0,0|2,0,0]=4 13618 B17R2.3426 CC(Sc1cccnc1N)c2ccccc2 62a_100000230085_100000045569 [0,2,0,0,0,0|2,0,0]=4 13619 B17R2.3426 CC(Sc1cccnc1O)c2ccccc2 62a_100000230085_100000760158 [0,2,0,0,0,0|2,0,0]=4 13620 B17R2.3426 CC(Sc1cccnc1O)c2ccccc2 62a_100000760158_100000230085 [0,2,0,0,0,0|2,0,0]=4 13621 B17R2.3426 CC(Sc1cnccc1Br)c2ccccc2 62a_100000230085_100010138639 [0,2,0,0,0,0|2,0,0]=4 13622 B17R2.3426 CC(Sc1cnccc1Br)c2ccccc2 62a_100010138639_100000230085 [0,2,0,0,0,0|2,0,0]=4 13623 B17R2.3426 CC(Sc1cnccc1Cl)c2ccccc2 62a_100000230085_100009995489 [0,2,0,0,0,0|2,0,0]=4 13624 B17R2.3426 CC(Sc1cnccc1Cl)c2ccccc2 62a_100009995489_100000230085 [0,2,0,0,0,0|2,0,0]=4 13625 B17R2.3426 CC(Sc1cnccc1F)c2ccccc2 62a_100000230085_100009820683 [0,2,0,0,0,0|2,0,0]=4 13626 B17R2.3426 CC(Sc1cnccc1F)c2ccccc2 62a_100009820683_100000230085 [0,2,0,0,0,0|2,0,0]=4 13627 B17R2.3426 CC(Sc1cnccc1N)c2ccccc2 62a_100000047001_100000230085 [0,2,0,0,0,0|2,0,0]=4 13628 B17R2.3426 CC(Sc1cnccc1N)c2ccccc2 62a_100000230085_100000047001 [0,2,0,0,0,0|2,0,0]=4 13629 B17R2.3426 CN(Cc1ccccc1Br)c2ccccc2 2230a_100000210012_100000184730 [0,2,0,0,0,0|1,0,0]=3 13630 B17R2.3426 CN(Cc1ccccc1Br)c2ccccc2 269982a_100000210012_100000184730 [0,2,0,0,0,0|1,0,0]=3 13631 B17R2.3426 CN(Cc1ccccc1Br)c2ccccc2 34a_100000210012_100000184730 [0,2,0,0,0,0|1,0,0]=3 13632 B17R2.3426 CN(Cc1ccccc1Cl)c2ccccc2 2230a_100000210012_100000187162 [0,2,0,0,0,0|1,0,0]=3 13633 B17R2.3426 CN(Cc1ccccc1Cl)c2ccccc2 269982a_100000210012_100000187162 [0,2,0,0,0,0|1,0,0]=3 13634 B17R2.3426 CN(Cc1ccccc1Cl)c2ccccc2 34a_100000210012_100000187162 [0,2,0,0,0,0|1,0,0]=3 13635 B17R2.3426 CN(Cc1ccccc1F)c2ccccc2 2230a_100000210012_100000211605 [0,2,0,0,0,0|1,0,0]=3 13636 B17R2.3426 CN(Cc1ccccc1F)c2ccccc2 2230a_100000224004_200000210301 [0,2,0,0,0,0|1,0,0]=3 13637 B17R2.3426 CN(Cc1ccccc1F)c2ccccc2 269982a_100000210012_100000211605 [0,2,0,0,0,0|1,0,0]=3 13638 B17R2.3426 CN(Cc1ccccc1F)c2ccccc2 269982a_100000224004_200000210301 [0,2,0,0,0,0|1,0,0]=3 13639 B17R2.3426 CN(Cc1ccccc1F)c2ccccc2 34a_100000210012_100000211605 [0,2,0,0,0,0|1,0,0]=3 13640 B17R2.3426 CN(Cc1ccccc1F)c2ccccc2 34a_100000224004_200000210301 [0,2,0,0,0,0|1,0,0]=3 13641 B17R2.3426 CN(Cc1ccccc1I)c2ccccc2 2230a_100000210012_100011215278 [0,2,0,0,0,0|1,0,0]=3 13642 B17R2.3426 CN(Cc1ccccc1I)c2ccccc2 269982a_100000210012_100011215278 [0,2,0,0,0,0|1,0,0]=3 13643 B17R2.3426 CN(Cc1ccccc1I)c2ccccc2 34a_100000210012_100011215278 [0,2,0,0,0,0|1,0,0]=3 13644 B17R2.3426 CN(Cc1cccnc1Br)c2ccccc2 2230a_100000210012_100010140945 [0,2,0,0,0,0|0,0,0]=2 13645 B17R2.3426 CN(Cc1cccnc1Br)c2ccccc2 269982a_100000210012_100010140945 [0,2,0,0,0,0|0,0,0]=2 13646 B17R2.3426 CN(Cc1cccnc1Br)c2ccccc2 34a_100000210012_100010140945 [0,2,0,0,0,0|0,0,0]=2 13647 B17R2.3426 CN(Cc1cccnc1Cl)c2ccccc2 2230a_100000210012_100000045678 [0,2,0,0,0,0|0,0,0]=2 13648 B17R2.3426 CN(Cc1cccnc1Cl)c2ccccc2 269982a_100000210012_100000045678 [0,2,0,0,0,0|0,0,0]=2 13649 B17R2.3426 CN(Cc1cccnc1Cl)c2ccccc2 34a_100000210012_100000045678 [0,2,0,0,0,0|0,0,0]=2 13650 B17R2.3426 CN(Cc1cccnc1Cl)c2cccnn2 27a_103496529121_100016991348 [0,2,0,0,0,0|2,0,0]=4 13651 B17R2.3426 CN(Cc1cccnc1Cl)c2ccncn2 27a_103496529121_100000703185 [0,2,0,0,0,0|2,0,0]=4 13652 B17R2.3426 CN(Cc1cccnc1Cl)c2cnccn2 27a_103496529121_100000211759 [0,2,0,0,0,0|2,0,0]=4 13653 B17R2.3426 CN(Cc1cccnc1Cl)c2ncccn2 27a_103496529121_100000211032 [0,2,0,0,0,0|2,0,0]=4 13654 B17R2.3426 CN(Cc1cccnc1F)c2ccccc2 2230a_100000210012_100000099810 [0,2,0,0,0,0|0,0,0]=2 13655 B17R2.3426 CN(Cc1cccnc1F)c2ccccc2 269982a_100000210012_100000099810 [0,2,0,0,0,0|0,0,0]=2 13656 B17R2.3426 CN(Cc1cccnc1F)c2ccccc2 34a_100000210012_100000099810 [0,2,0,0,0,0|0,0,0]=2 13657 B17R2.3426 CN(Cc1ccncc1Cl)c2ccccc2 2230a_100000210012_100000763264 [0,2,0,0,0,0|2,0,0]=4 13658 B17R2.3426 CN(Cc1ccncc1Cl)c2ccccc2 269982a_100000210012_100000763264 [0,2,0,0,0,0|2,0,0]=4 13659 B17R2.3426 CN(Cc1ncccc1Br)c2ccccc2 2230a_100000210012_100025702911 [0,2,0,0,0,0|2,0,0]=4 13660 B17R2.3426 CN(Cc1ncccc1Br)c2ccccc2 34a_100000210012_100025702911 [0,2,0,0,0,0|2,0,0]=4 13661 B17R2.3426 CN(Cc1ncccc1Cl)c2ccccc2 2230a_100000210012_100000099807 [0,2,0,0,0,0|2,0,0]=4 13662 B17R2.3426 CN(Cc1ncccc1Cl)c2ccccc2 269982a_100000210012_100000099807 [0,2,0,0,0,0|2,0,0]=4 13663 B17R2.3426 CN(Cc1ncccc1F)c2ccccc2 2230a_100000210012_100000104219 [0,2,0,0,0,0|2,0,0]=4 13664 B17R2.3426 CN(Cc1ncccc1F)c2ccccc2 269982a_100000210012_100000104219 [0,2,0,0,0,0|2,0,0]=4 13665 B17R2.3426 CN(Cc1ncccc1F)c2ccccc2 34a_100000210012_100000104219 [0,2,0,0,0,0|2,0,0]=4 13666 B17R2.3426 CN(Cc1ncccc1O)c2ccccc2 34a_100000210012_200020655725 [0,2,0,0,0,0|2,0,0]=4 13667 B17R2.3426 C[C@@H](Nc1ccncc1Br)c2ccccc2 27a_100000751104_100000726257 [0,2,0,0,0,0|2,0,0]=4 13668 B17R2.3426 C[C@@H](Nc1ccncc1Br)c2cnccn2 27a_100020589798_100000726257 [0,2,0,0,0,0|2,0,0]=4 13669 B17R2.3426 C[C@@H](Nc1ccncc1F)c2ccccc2 27a_100000751104_100000035921 [0,2,0,0,0,0|2,0,0]=4 13670 B17R2.3426 C[C@@H](Nc1ccncc1F)c2cnccn2 27a_100020589798_100000035921 [0,2,0,0,0,0|2,0,0]=4 13671 B17R2.3426 C[C@@H](Nc1ncccc1Br)c2ccccc2 27a_100000751104_100000696092 [0,2,0,0,0,0|2,0,0]=4 13672 B17R2.3426 C[C@@H](Nc1ncccc1Br)c2cnccn2 27a_100020589798_100000696092 [0,2,0,0,0,0|2,0,0]=4 13673 B17R2.3426 Cc1ccccc1CC(=O)c2ccccc2 1458a_100000185807_100000211839 [0,2,0,0,0,0|2,0,0]=4 13674 B17R2.3426 Cc1ccccc1CC(C)c2ccccc2 271570a_100000062452_100000210755 [0,2,0,0,0,0|2,0,0]=4 13675 B17R2.3426 Cc1ccccc1CN(C)c2ccccc2 2230a_100000210012_100000211839 [0,2,0,0,0,0|1,0,0]=3 13676 B17R2.3426 Cc1ccccc1CN(C)c2ccccc2 269982a_100000210012_100000211839 [0,2,0,0,0,0|1,0,0]=3 13677 B17R2.3426 Cc1ccccc1CN(C)c2ccccc2 34a_100000210012_100000211839 [0,2,0,0,0,0|1,0,0]=3 13678 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 11a_100015192222_100000185807 [0,2,0,0,0,0|1,0,1]=4 13679 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 1626a_100015192222_100000185807 [0,2,0,0,0,0|1,0,1]=4 13680 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 22a_100015192222_100000185807 [0,2,0,0,0,0|1,0,1]=4 13681 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 527a_100015192222_100000185807 [0,2,0,0,0,0|1,0,1]=4 13682 B17R2.3426 Cc1ccccc1NC(C)c2ccccc2 34a_100015192222_100000211855 [0,2,0,0,0,0|1,0,0]=3 13683 B17R2.3426 Cc1ccccc1OC(C)c2ccccc2 34a_100000210338_100000211855 [0,2,0,0,0,0|2,0,0]=4 13684 B17R2.3426 Cc1ccccc1OC(C)c2ccccc2 7a_100000210338_100000230085 [0,2,0,0,0,0|2,0,0]=4 13685 B17R2.3426 Cc1ccccc1OC(C)c2cnccn2 7a_100000210338_200000703233 [0,2,0,0,0,0|2,0,0]=4 13686 B17R2.3426 Cc1ccccc1SC(C)c2ccccc2 62a_100000210755_100000230085 [0,2,0,0,0,0|2,0,0]=4 13687 B17R2.3426 Cc1ccccc1SC(C)c2ccccc2 62a_100000230085_100000210755 [0,2,0,0,0,0|2,0,0]=4 13688 B17R2.3426 Cc1ccccc1SC(C)c2cnccn2 62a_100000210755_200000703233 [0,2,0,0,0,0|2,0,0]=4 13689 B17R2.3426 Cc1ccccc1SC(C)c2cnccn2 62a_200000703233_100000210755 [0,2,0,0,0,0|2,0,0]=4 13690 B17R2.3426 Cc1cccnc1CN(C)c2ccccc2 2230a_100000210012_100000696600 [0,2,0,0,0,0|2,0,0]=4 13691 B17R2.3426 Cc1cccnc1CN(C)c2ccccc2 269982a_100000210012_100000696600 [0,2,0,0,0,0|2,0,0]=4 13692 B17R2.3426 Cc1cccnc1CN(C)c2ccccc2 34a_100000210012_100000696600 [0,2,0,0,0,0|2,0,0]=4 13693 B17R2.3426 Cc1ccncc1CC(=O)c2ccccc2 1458a_100000185807_100000690890 [0,2,0,0,0,0|1,0,0]=3 13694 B17R2.3426 Cc1ccncc1CC(C)c2ccccc2 271570a_100000062452_100000761580 [0,2,0,0,0,0|1,0,0]=3 13695 B17R2.3426 Cc1ccncc1CN(C)c2ccccc2 2230a_100000210012_100000690890 [0,2,0,0,0,0|0,0,0]=2 13696 B17R2.3426 Cc1ccncc1CN(C)c2ccccc2 269982a_100000210012_100000690890 [0,2,0,0,0,0|0,0,0]=2 13697 B17R2.3426 Cc1ccncc1CN(C)c2ccccc2 34a_100000210012_100000690890 [0,2,0,0,0,0|0,0,0]=2 13698 B17R2.3426 Cc1ccncc1OC(C)c2ccccc2 34a_100011997053_100000211855 [0,2,0,0,0,0|2,0,0]=4 13699 B17R2.3426 Cc1ccncc1OC(C)c2ccccc2 7a_100011997053_100000230085 [0,2,0,0,0,0|2,0,0]=4 13700 B17R2.3426 Cc1ccncc1SC(C)c2ccccc2 62a_100000230085_100000761580 [0,2,0,0,0,0|2,0,0]=4 13701 B17R2.3426 Cc1ccncc1SC(C)c2ccccc2 62a_100000761580_100000230085 [0,2,0,0,0,0|2,0,0]=4 13702 B17R2.3426 Cc1ccnnc1CC(C)c2ccccc2 271570a_100000062452_100000089043 [0,2,0,0,0,0|2,0,0]=4 13703 B17R2.3426 Cc1ccnnc1NC(C)c2cccnc2 27a_100000195435_100000089043 [0,2,0,0,0,0|2,0,0]=4 13704 B17R2.3426 Cc1cnccc1CN(C)c2ccccc2 2230a_100000210012_100020672808 [0,2,0,0,0,0|2,0,0]=4 13705 B17R2.3426 Cc1cnccc1CN(C)c2ccccc2 269982a_100000210012_100020672808 [0,2,0,0,0,0|2,0,0]=4 13706 B17R2.3426 Cc1cnccc1CN(C)c2ccccc2 34a_100000210012_100020672809 [0,2,0,0,0,0|2,0,0]=4 13707 B17R2.3426 Cc1cnccc1NC(C)c2cccnc2 27a_100000195435_100000765111 [0,2,0,0,0,0|1,0,0]=3 13708 B17R2.3426 Cc1cnccc1N[C@H](C)c2ccccc2 27a_100000751104_100000765111 [0,2,0,0,0,0|2,0,0]=4 13709 B17R2.3426 Cc1cnccc1N[C@H](C)c2cnccn2 27a_100020589798_100000765111 [0,2,0,0,0,0|2,0,0]=4 13710 B17R2.3426 Cc1cncnc1NC(C)c2cccnc2 27a_100000195435_100011998708 [0,2,0,0,0,0|2,0,0]=4 13711 B17R2.3426 Cc1ncccc1CC(=O)c2ccccc2 1458a_100000185807_100000732876 [0,2,0,0,0,0|1,0,0]=3 13712 B17R2.3426 Cc1ncccc1CC(C)c2ccccc2 271570a_100000062452_100000751574 [0,2,0,0,0,0|1,0,0]=3 13713 B17R2.3426 Cc1ncccc1CN(C)c2ccccc2 2230a_100000210012_100000732876 [0,2,0,0,0,0|0,0,0]=2 13714 B17R2.3426 Cc1ncccc1CN(C)c2ccccc2 269982a_100000210012_100000732876 [0,2,0,0,0,0|0,0,0]=2 13715 B17R2.3426 Cc1ncccc1CN(C)c2ccccc2 34a_100000210012_100000732876 [0,2,0,0,0,0|0,0,0]=2 13716 B17R2.3426 Cc1ncccc1CN(C)c2cccnn2 27a_200011875998_100016991348 [0,2,0,0,0,0|2,0,0]=4 13717 B17R2.3426 Cc1ncccc1CN(C)c2ccncn2 27a_200011875998_100000703185 [0,2,0,0,0,0|2,0,0]=4 13718 B17R2.3426 Cc1ncccc1CN(C)c2cnccn2 27a_200011875998_100000211759 [0,2,0,0,0,0|2,0,0]=4 13719 B17R2.3426 Cc1ncccc1CN(C)c2ncccn2 27a_200011875998_100000211032 [0,2,0,0,0,0|2,0,0]=4 13720 B17R2.3426 Cc1ncccc1OC(C)c2ccccc2 34a_100000745507_100000211855 [0,2,0,0,0,0|2,0,0]=4 13721 B17R2.3426 Cc1ncccc1OC(C)c2ccccc2 7a_100000745507_100000230085 [0,2,0,0,0,0|2,0,0]=4 13722 B17R2.3426 Cc1ncccc1SC(C)c2ccccc2 62a_100000230085_100000751574 [0,2,0,0,0,0|2,0,0]=4 13723 B17R2.3426 Cc1ncccc1SC(C)c2ccccc2 62a_100000751574_100000230085 [0,2,0,0,0,0|2,0,0]=4 13724 B17R2.3426 Cc1nccnc1CC(C)c2ccccc2 271570a_100000062452_100011999405 [0,2,0,0,0,0|2,0,0]=4 13725 B17R2.3426 Cc1nccnc1NC(C)c2cccnc2 27a_100000195435_100011999405 [0,2,0,0,0,0|2,0,0]=4 13726 B17R2.3426 Cc1ncncc1CC(C)c2ccccc2 271570a_100000062452_100009819671 [0,2,0,0,0,0|2,0,0]=4 13727 B17R2.3426 O=C(Cc1ccccc1Br)c2ccccc2 1458a_100000185807_100000184730 [0,2,0,0,0,0|2,0,0]=4 13728 B17R2.3426 O=C(Cc1ccccc1Cl)c2ccccc2 1458a_100000185807_100000187162 [0,2,0,0,0,0|2,0,0]=4 13729 B17R2.3426 O=C(Cc1ccccc1F)c2ccccc2 1458a_100000185807_100000187165 [0,2,0,0,0,0|2,0,0]=4 13730 B17R2.3426 O=C(Cc1ccccc1I)c2ccccc2 1458a_100000185807_100011216222 [0,2,0,0,0,0|2,0,0]=4 13731 B17R2.3426 O=C(Cc1cccnc1Br)c2ccccc2 1458a_100000185807_100010140945 [0,2,0,0,0,0|1,0,0]=3 13732 B17R2.3426 O=C(Cc1cccnc1Cl)c2ccccc2 1458a_100000185807_100000045678 [0,2,0,0,0,0|1,0,0]=3 13733 B17R2.3426 O=C(Cc1cccnc1F)c2ccccc2 1458a_100000185807_100000099810 [0,2,0,0,0,0|1,0,0]=3 13734 B17R2.3426 O=C(Nc1ccccc1Br)c2ccccc2 11a_100000210017_100000185807 [0,2,0,0,0,0|1,0,1]=4 13735 B17R2.3426 O=C(Nc1ccccc1Br)c2ccccc2 1626a_100000210017_100000185807 [0,2,0,0,0,0|1,0,1]=4 13736 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccccc2 11a_100000185783_100000185807 [0,2,0,0,0,0|1,0,1]=4 13737 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccccc2 1626a_100000185783_100000185807 [0,2,0,0,0,0|1,0,1]=4 13738 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccccc2 22a_100000185783_100000185807 [0,2,0,0,0,0|1,0,1]=4 13739 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccccc2 527a_100000185783_100000185807 [0,2,0,0,0,0|1,0,1]=4 13740 B17R2.3426 O=C(Nc1ccccc1F)c2ccccc2 11a_100000210422_100000185807 [0,2,0,0,0,0|1,0,1]=4 13741 B17R2.3426 O=C(Nc1ccccc1F)c2ccccc2 1626a_100000210422_100000185807 [0,2,0,0,0,0|1,0,1]=4 13742 B17R2.3426 O=C(Nc1ccccc1F)c2ccccc2 22a_100000210422_100000185807 [0,2,0,0,0,0|1,0,1]=4 13743 B17R2.3426 O=C(Nc1ccccc1F)c2ccccc2 527a_100000210422_100000185807 [0,2,0,0,0,0|1,0,1]=4 13744 B17R2.3426 O=C(Nc1ccccc1I)c2ccccc2 11a_100000210053_100000185807 [0,2,0,0,0,0|1,0,1]=4 13745 B17R2.3426 O=C(Nc1ccccc1I)c2ccccc2 1626a_100000210053_100000185807 [0,2,0,0,0,0|1,0,1]=4 13746 B17R2.3426 O=C(Nc1ccccc1O)c2ccccc2 22a_100000185747_100000185807 [0,2,0,0,0,0|1,0,1]=4 13747 B17R2.3426 O=C(Nc1ccccc1O)c2ccccc2 527a_100000185747_100000185807 [0,2,0,0,0,0|1,0,1]=4 13748 B17R2.3426 [13CH3]N(Cc1ccccc1F)c2ccccc2 2230a_100000224004_200025704644 [0,2,0,0,0,0|1,0,0]=3 13749 B17R2.3426 [13CH3]N(Cc1ccccc1F)c2ccccc2 269982a_100000224004_200025704644 [0,2,0,0,0,0|1,0,0]=3 13750 B17R2.3426 [13CH3]N(Cc1ccccc1F)c2ccccc2 34a_100000224004_200025704644 [0,2,0,0,0,0|1,0,0]=3 13751 B17R2.3933 Brc1cccc(c1C=Cc2cccnc2)Br 271570a_100102525586_100009994525 [0,2,0,0,0,0|1,0,1]=4 13752 B17R2.3933 Brc1cccc(c1CNc2ccccc2)Br 207a_100000106764_100010233043 [0,2,0,0,0,0|1,0,0]=3 13753 B17R2.3933 Brc1cccc(c1CNc2ccccc2)Br 270302a_100000106764_100010233043 [0,2,0,0,0,0|1,0,0]=3 13754 B17R2.3933 Brc1cccc(c1CNc2ccccc2)I 34a_100000106764_100010146611 [0,2,0,0,0,0|1,0,0]=3 13755 B17R2.3933 Brc1cccc(c1COc2ccccc2)I 34a_100000210340_100010146611 [0,2,0,0,0,0|2,0,0]=4 13756 B17R2.3933 Brc1cccc(c1COc2ccccc2)I 7a_100000210340_100010146611 [0,2,0,0,0,0|2,0,0]=4 13757 B17R2.3933 Brc1cccc(c1COc2cccnc2)I 34a_100000210849_100010146611 [0,2,0,0,0,0|2,0,0]=4 13758 B17R2.3933 Brc1cccc(c1COc2cccnc2)I 7a_100000210849_100010146611 [0,2,0,0,0,0|2,0,0]=4 13759 B17R2.3933 Brc1cccc(c1CSc2ccccc2)I 62a_100000719477_100010146611 [0,2,0,0,0,0|2,0,0]=4 13760 B17R2.3933 Brc1cccc(c1CSc2ccccc2)I 62a_100010146611_100000041952 [0,2,0,0,0,0|2,0,0]=4 13761 B17R2.3933 Brc1cccc(c1CSc2cccnc2)I 62a_100000210063_100010146611 [0,2,0,0,0,0|2,0,0]=4 13762 B17R2.3933 Brc1cccc(c1CSc2cccnc2)I 62a_100010146611_100000210063 [0,2,0,0,0,0|2,0,0]=4 13763 B17R2.3933 Brc1cccc(c1NCc2ccccc2)Br 34a_100000690995_100015291786 [0,2,0,0,0,0|1,0,0]=3 13764 B17R2.3933 Brc1cccc(c1NCc2ccccn2)Br 34a_100000690995_100000721315 [0,2,0,0,0,0|2,0,0]=4 13765 B17R2.3933 Brc1cccc(c1NCc2cccnc2)Br 34a_100000690995_100000733263 [0,2,0,0,0,0|0,0,0]=2 13766 B17R2.3933 Brc1cccc(c1NCc2cccnn2)Br 34a_100000690995_100016990269 [0,2,0,0,0,0|1,0,0]=3 13767 B17R2.3933 Brc1cccc(c1NCc2cnccn2)Br 34a_100000690995_100016995436 [0,2,0,0,0,0|1,0,0]=3 13768 B17R2.3933 Brc1cccc(c1NCc2cncnc2)Br 34a_100000690995_100015196519 [0,2,0,0,0,0|1,0,0]=3 13769 B17R2.3933 Brc1cccc(c1OCc2ccccc2)Br 34a_100000736428_100015291786 [0,2,0,0,0,0|2,0,0]=4 13770 B17R2.3933 Brc1cccc(c1OCc2ccccc2)Br 7a_100000736428_100000211182 [0,2,0,0,0,0|2,0,0]=4 13771 B17R2.3933 Brc1cccc(c1OCc2ccccc2)I 34a_100010084509_100015291786 [0,2,0,0,0,0|2,0,0]=4 13772 B17R2.3933 Brc1cccc(c1OCc2ccccc2)I 7a_100010084509_100000211182 [0,2,0,0,0,0|2,0,0]=4 13773 B17R2.3933 Brc1cccc(c1OCc2cccnc2)Br 34a_100000736428_100000733263 [0,2,0,0,0,0|1,0,0]=3 13774 B17R2.3933 Brc1cccc(c1OCc2cccnc2)Br 7a_100000736428_100000741622 [0,2,0,0,0,0|1,0,0]=3 13775 B17R2.3933 Brc1cccc(c1OCc2cccnc2)I 34a_100010084509_100000733263 [0,2,0,0,0,0|1,0,0]=3 13776 B17R2.3933 Brc1cccc(c1OCc2cccnc2)I 7a_100010084509_100000741622 [0,2,0,0,0,0|1,0,0]=3 13777 B17R2.3933 Brc1cccc(c1OCc2cccnn2)Br 34a_100000736428_100016990269 [0,2,0,0,0,0|2,0,0]=4 13778 B17R2.3933 Brc1cccc(c1OCc2cccnn2)Br 7a_100000736428_100016990269 [0,2,0,0,0,0|2,0,0]=4 13779 B17R2.3933 Brc1cccc(c1OCc2cccnn2)I 34a_100010084509_100016990269 [0,2,0,0,0,0|2,0,0]=4 13780 B17R2.3933 Brc1cccc(c1OCc2cccnn2)I 7a_100010084509_100016990269 [0,2,0,0,0,0|2,0,0]=4 13781 B17R2.3933 Brc1cccc(c1OCc2cnccn2)Br 34a_100000736428_100016995436 [0,2,0,0,0,0|2,0,0]=4 13782 B17R2.3933 Brc1cccc(c1OCc2cnccn2)Br 7a_100000736428_100016995436 [0,2,0,0,0,0|2,0,0]=4 13783 B17R2.3933 Brc1cccc(c1OCc2cnccn2)I 34a_100010084509_100016995436 [0,2,0,0,0,0|2,0,0]=4 13784 B17R2.3933 Brc1cccc(c1OCc2cnccn2)I 7a_100010084509_100016995436 [0,2,0,0,0,0|2,0,0]=4 13785 B17R2.3933 Brc1cccc(c1OCc2cncnc2)Br 34a_100000736428_100015196519 [0,2,0,0,0,0|2,0,0]=4 13786 B17R2.3933 Brc1cccc(c1OCc2cncnc2)Br 7a_100000736428_100015196519 [0,2,0,0,0,0|2,0,0]=4 13787 B17R2.3933 Brc1cccc(c1OCc2cncnc2)I 34a_100010084509_100015196519 [0,2,0,0,0,0|2,0,0]=4 13788 B17R2.3933 Brc1cccc(c1OCc2cncnc2)I 7a_100010084509_100015196519 [0,2,0,0,0,0|2,0,0]=4 13789 B17R2.3933 Brc1cccc(c1SCc2ccccc2)Br 62a_100000211182_100009994525 [0,2,0,0,0,0|2,0,0]=4 13790 B17R2.3933 Brc1cccc(c1SCc2ccccc2)Br 62a_100009994525_100015291786 [0,2,0,0,0,0|2,0,0]=4 13791 B17R2.3933 Brc1cccc(c1SCc2cccnc2)Br 62a_100000741622_100009994525 [0,2,0,0,0,0|1,0,0]=3 13792 B17R2.3933 Brc1cccc(c1SCc2cccnc2)Br 62a_100009994525_100000741622 [0,2,0,0,0,0|1,0,0]=3 13793 B17R2.3933 Brc1cccc(c1SCc2cccnn2)Br 62a_100009994525_100016990269 [0,2,0,0,0,0|2,0,0]=4 13794 B17R2.3933 Brc1cccc(c1SCc2cccnn2)Br 62a_100016990269_100009994525 [0,2,0,0,0,0|2,0,0]=4 13795 B17R2.3933 Brc1cccc(c1SCc2cnccn2)Br 62a_100009994525_100016995436 [0,2,0,0,0,0|2,0,0]=4 13796 B17R2.3933 Brc1cccc(c1SCc2cnccn2)Br 62a_100016995436_100009994525 [0,2,0,0,0,0|2,0,0]=4 13797 B17R2.3933 Brc1cccc(c1SCc2cncnc2)Br 62a_100009994525_100015196519 [0,2,0,0,0,0|2,0,0]=4 13798 B17R2.3933 Brc1cccc(c1SCc2cncnc2)Br 62a_100015196519_100009994525 [0,2,0,0,0,0|2,0,0]=4 13799 B17R2.3933 Brc1cncc(c1CNc2ccccc2)Br 207a_100000106764_100000689152 [0,2,0,0,0,0|2,0,0]=4 13800 B17R2.3933 Brc1cncc(c1CNc2ccccc2)Br 270302a_100000106764_100000689152 [0,2,0,0,0,0|2,0,0]=4 13801 B17R2.3933 Brc1cncc(c1SCc2cccnc2)Br 62a_100000741622_100010172828 [0,2,0,0,0,0|2,0,0]=4 13802 B17R2.3933 Brc1cncc(c1SCc2cccnc2)Br 62a_100010172828_100000741622 [0,2,0,0,0,0|2,0,0]=4 13803 B17R2.3933 Cc1ccc[n+](c1SCc2cccnc2)[O-] 62a_100000741622_100116209805 [0,2,0,0,0,0|2,0,0]=4 13804 B17R2.3933 Cc1cccc(c1C=Cc2cccnc2)C 271570a_100102525586_100000033847 [0,2,0,0,0,0|1,0,1]=4 13805 B17R2.3933 Cc1cccc(c1C=Cc2cccnc2)Cl 271570a_100102525586_100000043165 [0,2,0,0,0,0|1,0,1]=4 13806 B17R2.3933 Cc1cccc(c1C=Cc2cccnc2)F 271570a_100102525586_100012349962 [0,2,0,0,0,0|1,0,1]=4 13807 B17R2.3933 Cc1cccc(c1C=Cc2cccnc2)N 271570a_100102525586_100000684715 [0,2,0,0,0,0|1,0,1]=4 13808 B17R2.3933 Cc1cccc(c1C=Cc2cccnc2)O 271570a_100102525586_100000686692 [0,2,0,0,0,0|1,0,1]=4 13809 B17R2.3933 Cc1cccc(c1CNc2ccccc2)Br 207a_100000106764_100009881667 [0,2,0,0,0,0|1,0,0]=3 13810 B17R2.3933 Cc1cccc(c1CNc2ccccc2)Br 270302a_100000106764_100009881667 [0,2,0,0,0,0|1,0,0]=3 13811 B17R2.3933 Cc1cccc(c1CNc2ccccc2)Br 34a_100000106764_100010146847 [0,2,0,0,0,0|1,0,0]=3 13812 B17R2.3933 Cc1cccc(c1CNc2ccccc2)C 207a_100000106764_100000758299 [0,2,0,0,0,0|1,0,0]=3 13813 B17R2.3933 Cc1cccc(c1CNc2ccccc2)C 270302a_100000106764_100000758299 [0,2,0,0,0,0|1,0,0]=3 13814 B17R2.3933 Cc1cccc(c1CNc2ccccc2)C 34a_100000106764_100000758300 [0,2,0,0,0,0|1,0,0]=3 13815 B17R2.3933 Cc1cccc(c1CNc2ccccc2)Cl 207a_100000106764_100000041122 [0,2,0,0,0,0|1,0,0]=3 13816 B17R2.3933 Cc1cccc(c1CNc2ccccc2)Cl 270302a_100000106764_100000041122 [0,2,0,0,0,0|1,0,0]=3 13817 B17R2.3933 Cc1cccc(c1CNc2ccccc2)F 207a_100000106764_100000069827 [0,2,0,0,0,0|1,0,0]=3 13818 B17R2.3933 Cc1cccc(c1CNc2ccccc2)F 270302a_100000106764_100000069827 [0,2,0,0,0,0|1,0,0]=3 13819 B17R2.3933 Cc1cccc(c1CNc2ccccc2)F 34a_100000106764_100009814554 [0,2,0,0,0,0|1,0,0]=3 13820 B17R2.3933 Cc1cccc(c1CNc2ccccc2)I 34a_100000106764_100010150146 [0,2,0,0,0,0|1,0,0]=3 13821 B17R2.3933 Cc1cccc(c1COc2ccccc2)Br 34a_100000210340_100010146847 [0,2,0,0,0,0|2,0,0]=4 13822 B17R2.3933 Cc1cccc(c1COc2ccccc2)Br 7a_100000210340_100010146847 [0,2,0,0,0,0|2,0,0]=4 13823 B17R2.3933 Cc1cccc(c1COc2ccccc2)C 34a_100000210340_100000758300 [0,2,0,0,0,0|2,0,0]=4 13824 B17R2.3933 Cc1cccc(c1COc2ccccc2)C 7a_100000210340_100000758300 [0,2,0,0,0,0|2,0,0]=4 13825 B17R2.3933 Cc1cccc(c1COc2ccccc2)F 34a_100000210340_100009814554 [0,2,0,0,0,0|2,0,0]=4 13826 B17R2.3933 Cc1cccc(c1COc2ccccc2)F 7a_100000210340_100009814554 [0,2,0,0,0,0|2,0,0]=4 13827 B17R2.3933 Cc1cccc(c1COc2ccccc2)I 34a_100000210340_100010150146 [0,2,0,0,0,0|2,0,0]=4 13828 B17R2.3933 Cc1cccc(c1COc2ccccc2)I 7a_100000210340_100010150146 [0,2,0,0,0,0|2,0,0]=4 13829 B17R2.3933 Cc1cccc(c1COc2cccnc2)Br 34a_100000210849_100010146847 [0,2,0,0,0,0|2,0,0]=4 13830 B17R2.3933 Cc1cccc(c1COc2cccnc2)Br 7a_100000210849_100010146847 [0,2,0,0,0,0|2,0,0]=4 13831 B17R2.3933 Cc1cccc(c1COc2cccnc2)C 34a_100000210849_100000758300 [0,2,0,0,0,0|2,0,0]=4 13832 B17R2.3933 Cc1cccc(c1COc2cccnc2)C 7a_100000210849_100000758300 [0,2,0,0,0,0|2,0,0]=4 13833 B17R2.3933 Cc1cccc(c1COc2cccnc2)F 34a_100000210849_100009814554 [0,2,0,0,0,0|2,0,0]=4 13834 B17R2.3933 Cc1cccc(c1COc2cccnc2)F 7a_100000210849_100009814554 [0,2,0,0,0,0|2,0,0]=4 13835 B17R2.3933 Cc1cccc(c1COc2cccnc2)I 34a_100000210849_100010150146 [0,2,0,0,0,0|2,0,0]=4 13836 B17R2.3933 Cc1cccc(c1COc2cccnc2)I 7a_100000210849_100010150146 [0,2,0,0,0,0|2,0,0]=4 13837 B17R2.3933 Cc1cccc(c1CSc2ccccc2)Br 62a_100000719477_100010146847 [0,2,0,0,0,0|2,0,0]=4 13838 B17R2.3933 Cc1cccc(c1CSc2ccccc2)Br 62a_100010146847_100000041952 [0,2,0,0,0,0|2,0,0]=4 13839 B17R2.3933 Cc1cccc(c1CSc2ccccc2)C 62a_100000719477_100000758300 [0,2,0,0,0,0|2,0,0]=4 13840 B17R2.3933 Cc1cccc(c1CSc2ccccc2)C 62a_100000758300_100000041952 [0,2,0,0,0,0|2,0,0]=4 13841 B17R2.3933 Cc1cccc(c1CSc2ccccc2)F 62a_100000719477_100009814554 [0,2,0,0,0,0|2,0,0]=4 13842 B17R2.3933 Cc1cccc(c1CSc2ccccc2)F 62a_100009814554_100000041952 [0,2,0,0,0,0|2,0,0]=4 13843 B17R2.3933 Cc1cccc(c1CSc2ccccc2)I 62a_100000719477_100010150146 [0,2,0,0,0,0|2,0,0]=4 13844 B17R2.3933 Cc1cccc(c1CSc2ccccc2)I 62a_100010150146_100000041952 [0,2,0,0,0,0|2,0,0]=4 13845 B17R2.3933 Cc1cccc(c1CSc2cccnc2)Br 62a_100000210063_100010146847 [0,2,0,0,0,0|2,0,0]=4 13846 B17R2.3933 Cc1cccc(c1CSc2cccnc2)Br 62a_100010146847_100000210063 [0,2,0,0,0,0|2,0,0]=4 13847 B17R2.3933 Cc1cccc(c1CSc2cccnc2)C 62a_100000210063_100000758300 [0,2,0,0,0,0|2,0,0]=4 13848 B17R2.3933 Cc1cccc(c1CSc2cccnc2)C 62a_100000758300_100000210063 [0,2,0,0,0,0|2,0,0]=4 13849 B17R2.3933 Cc1cccc(c1CSc2cccnc2)F 62a_100000210063_100009814554 [0,2,0,0,0,0|2,0,0]=4 13850 B17R2.3933 Cc1cccc(c1CSc2cccnc2)F 62a_100009814554_100000210063 [0,2,0,0,0,0|2,0,0]=4 13851 B17R2.3933 Cc1cccc(c1CSc2cccnc2)I 62a_100000210063_100010150146 [0,2,0,0,0,0|2,0,0]=4 13852 B17R2.3933 Cc1cccc(c1CSc2cccnc2)I 62a_100010150146_100000210063 [0,2,0,0,0,0|2,0,0]=4 13853 B17R2.3933 Cc1cccc(c1NCc2ccccc2)Br 34a_100011834072_100015291786 [0,2,0,0,0,0|1,0,0]=3 13854 B17R2.3933 Cc1cccc(c1NCc2ccccc2)C 207a_100000185769_100015611070 [0,2,0,0,0,0|1,0,0]=3 13855 B17R2.3933 Cc1cccc(c1NCc2ccccc2)C 34a_100000185769_100015291786 [0,2,0,0,0,0|1,0,0]=3 13856 B17R2.3933 Cc1cccc(c1NCc2ccccc2)Cl 34a_100000756524_100015291786 [0,2,0,0,0,0|1,0,0]=3 13857 B17R2.3933 Cc1cccc(c1NCc2ccccc2)F 207a_100000766463_100015611070 [0,2,0,0,0,0|1,0,0]=3 13858 B17R2.3933 Cc1cccc(c1NCc2ccccc2)F 34a_100000766463_100015291786 [0,2,0,0,0,0|1,0,0]=3 13859 B17R2.3933 Cc1cccc(c1NCc2ccccc2)O 34a_100000743429_100015291786 [0,2,0,0,0,0|1,0,0]=3 13860 B17R2.3933 Cc1cccc(c1NCc2ccccn2)Br 34a_100011834072_100000721315 [0,2,0,0,0,0|2,0,0]=4 13861 B17R2.3933 Cc1cccc(c1NCc2ccccn2)C 207a_100000185769_100000209966 [0,2,0,0,0,0|2,0,0]=4 13862 B17R2.3933 Cc1cccc(c1NCc2ccccn2)C 34a_100000185769_100000721315 [0,2,0,0,0,0|2,0,0]=4 13863 B17R2.3933 Cc1cccc(c1NCc2ccccn2)Cl 34a_100000756524_100000721315 [0,2,0,0,0,0|2,0,0]=4 13864 B17R2.3933 Cc1cccc(c1NCc2ccccn2)F 207a_100000766463_100000209966 [0,2,0,0,0,0|2,0,0]=4 13865 B17R2.3933 Cc1cccc(c1NCc2ccccn2)F 34a_100000766463_100000721315 [0,2,0,0,0,0|2,0,0]=4 13866 B17R2.3933 Cc1cccc(c1NCc2ccccn2)O 34a_100000743429_100000721315 [0,2,0,0,0,0|2,0,0]=4 13867 B17R2.3933 Cc1cccc(c1NCc2cccnc2)Br 34a_100011834072_100000733263 [0,2,0,0,0,0|0,0,0]=2 13868 B17R2.3933 Cc1cccc(c1NCc2cccnc2)C 207a_100000185769_100000209961 [0,2,0,0,0,0|0,0,0]=2 13869 B17R2.3933 Cc1cccc(c1NCc2cccnc2)C 34a_100000185769_100000733263 [0,2,0,0,0,0|0,0,0]=2 13870 B17R2.3933 Cc1cccc(c1NCc2cccnc2)Cl 34a_100000756524_100000733263 [0,2,0,0,0,0|0,0,0]=2 13871 B17R2.3933 Cc1cccc(c1NCc2cccnc2)F 207a_100000766463_100000209961 [0,2,0,0,0,0|0,0,0]=2 13872 B17R2.3933 Cc1cccc(c1NCc2cccnc2)F 34a_100000766463_100000733263 [0,2,0,0,0,0|0,0,0]=2 13873 B17R2.3933 Cc1cccc(c1NCc2cccnc2)O 34a_100000743429_100000733263 [0,2,0,0,0,0|0,0,0]=2 13874 B17R2.3933 Cc1cccc(c1NCc2cccnn2)Br 34a_100011834072_100016990269 [0,2,0,0,0,0|1,0,0]=3 13875 B17R2.3933 Cc1cccc(c1NCc2cccnn2)C 34a_100000185769_100016990269 [0,2,0,0,0,0|1,0,0]=3 13876 B17R2.3933 Cc1cccc(c1NCc2cccnn2)Cl 34a_100000756524_100016990269 [0,2,0,0,0,0|1,0,0]=3 13877 B17R2.3933 Cc1cccc(c1NCc2cccnn2)F 34a_100000766463_100016990269 [0,2,0,0,0,0|1,0,0]=3 13878 B17R2.3933 Cc1cccc(c1NCc2cccnn2)O 34a_100000743429_100016990269 [0,2,0,0,0,0|1,0,0]=3 13879 B17R2.3933 Cc1cccc(c1NCc2ccncc2)C 207a_100000185769_100000186114 [0,2,0,0,0,0|2,0,0]=4 13880 B17R2.3933 Cc1cccc(c1NCc2ccncc2)F 207a_100000766463_100000186114 [0,2,0,0,0,0|2,0,0]=4 13881 B17R2.3933 Cc1cccc(c1NCc2cnccn2)Br 34a_100011834072_100016995436 [0,2,0,0,0,0|1,0,0]=3 13882 B17R2.3933 Cc1cccc(c1NCc2cnccn2)C 34a_100000185769_100016995436 [0,2,0,0,0,0|1,0,0]=3 13883 B17R2.3933 Cc1cccc(c1NCc2cnccn2)Cl 34a_100000756524_100016995436 [0,2,0,0,0,0|1,0,0]=3 13884 B17R2.3933 Cc1cccc(c1NCc2cnccn2)F 34a_100000766463_100016995436 [0,2,0,0,0,0|1,0,0]=3 13885 B17R2.3933 Cc1cccc(c1NCc2cnccn2)O 34a_100000743429_100016995436 [0,2,0,0,0,0|1,0,0]=3 13886 B17R2.3933 Cc1cccc(c1NCc2cncnc2)Br 34a_100011834072_100015196519 [0,2,0,0,0,0|1,0,0]=3 13887 B17R2.3933 Cc1cccc(c1NCc2cncnc2)C 34a_100000185769_100015196519 [0,2,0,0,0,0|1,0,0]=3 13888 B17R2.3933 Cc1cccc(c1NCc2cncnc2)Cl 34a_100000756524_100015196519 [0,2,0,0,0,0|1,0,0]=3 13889 B17R2.3933 Cc1cccc(c1NCc2cncnc2)F 34a_100000766463_100015196519 [0,2,0,0,0,0|1,0,0]=3 13890 B17R2.3933 Cc1cccc(c1NCc2cncnc2)O 34a_100000743429_100015196519 [0,2,0,0,0,0|1,0,0]=3 13891 B17R2.3933 Cc1cccc(c1OCc2ccccc2)Br 34a_100009817157_100015291786 [0,2,0,0,0,0|2,0,0]=4 13892 B17R2.3933 Cc1cccc(c1OCc2ccccc2)Br 7a_100009817157_100000211182 [0,2,0,0,0,0|2,0,0]=4 13893 B17R2.3933 Cc1cccc(c1OCc2ccccc2)C 34a_100000210341_100015291786 [0,2,0,0,0,0|2,0,0]=4 13894 B17R2.3933 Cc1cccc(c1OCc2ccccc2)C 7a_100000210341_100000211182 [0,2,0,0,0,0|2,0,0]=4 13895 B17R2.3933 Cc1cccc(c1OCc2ccccc2)Cl 34a_100000033731_100015291786 [0,2,0,0,0,0|2,0,0]=4 13896 B17R2.3933 Cc1cccc(c1OCc2ccccc2)Cl 7a_100000033731_100000211182 [0,2,0,0,0,0|2,0,0]=4 13897 B17R2.3933 Cc1cccc(c1OCc2ccccc2)F 34a_100011659162_100015291786 [0,2,0,0,0,0|2,0,0]=4 13898 B17R2.3933 Cc1cccc(c1OCc2ccccc2)F 7a_100011659162_100000211182 [0,2,0,0,0,0|2,0,0]=4 13899 B17R2.3933 Cc1cccc(c1OCc2ccccc2)N 34a_100000756359_100015291786 [0,2,0,0,0,0|2,0,0]=4 13900 B17R2.3933 Cc1cccc(c1OCc2ccccc2)N 7a_100000756359_100000211182 [0,2,0,0,0,0|2,0,0]=4 13901 B17R2.3933 Cc1cccc(c1OCc2cccnc2)Br 34a_100009817157_100000733263 [0,2,0,0,0,0|1,0,0]=3 13902 B17R2.3933 Cc1cccc(c1OCc2cccnc2)Br 7a_100009817157_100000741622 [0,2,0,0,0,0|1,0,0]=3 13903 B17R2.3933 Cc1cccc(c1OCc2cccnc2)C 34a_100000210341_100000733263 [0,2,0,0,0,0|1,0,0]=3 13904 B17R2.3933 Cc1cccc(c1OCc2cccnc2)C 7a_100000210341_100000741622 [0,2,0,0,0,0|1,0,0]=3 13905 B17R2.3933 Cc1cccc(c1OCc2cccnc2)Cl 34a_100000033731_100000733263 [0,2,0,0,0,0|1,0,0]=3 13906 B17R2.3933 Cc1cccc(c1OCc2cccnc2)Cl 7a_100000033731_100000741622 [0,2,0,0,0,0|1,0,0]=3 13907 B17R2.3933 Cc1cccc(c1OCc2cccnc2)F 34a_100011659162_100000733263 [0,2,0,0,0,0|1,0,0]=3 13908 B17R2.3933 Cc1cccc(c1OCc2cccnc2)F 7a_100011659162_100000741622 [0,2,0,0,0,0|1,0,0]=3 13909 B17R2.3933 Cc1cccc(c1OCc2cccnc2)N 34a_100000756359_100000733263 [0,2,0,0,0,0|1,0,0]=3 13910 B17R2.3933 Cc1cccc(c1OCc2cccnc2)N 7a_100000756359_100000741622 [0,2,0,0,0,0|1,0,0]=3 13911 B17R2.3933 Cc1cccc(c1OCc2cccnn2)Br 34a_100009817157_100016990269 [0,2,0,0,0,0|2,0,0]=4 13912 B17R2.3933 Cc1cccc(c1OCc2cccnn2)Br 7a_100009817157_100016990269 [0,2,0,0,0,0|2,0,0]=4 13913 B17R2.3933 Cc1cccc(c1OCc2cccnn2)C 34a_100000210341_100016990269 [0,2,0,0,0,0|2,0,0]=4 13914 B17R2.3933 Cc1cccc(c1OCc2cccnn2)C 7a_100000210341_100016990269 [0,2,0,0,0,0|2,0,0]=4 13915 B17R2.3933 Cc1cccc(c1OCc2cccnn2)Cl 34a_100000033731_100016990269 [0,2,0,0,0,0|2,0,0]=4 13916 B17R2.3933 Cc1cccc(c1OCc2cccnn2)Cl 7a_100000033731_100016990269 [0,2,0,0,0,0|2,0,0]=4 13917 B17R2.3933 Cc1cccc(c1OCc2cccnn2)F 34a_100011659162_100016990269 [0,2,0,0,0,0|2,0,0]=4 13918 B17R2.3933 Cc1cccc(c1OCc2cccnn2)F 7a_100011659162_100016990269 [0,2,0,0,0,0|2,0,0]=4 13919 B17R2.3933 Cc1cccc(c1OCc2cccnn2)N 34a_100000756359_100016990269 [0,2,0,0,0,0|2,0,0]=4 13920 B17R2.3933 Cc1cccc(c1OCc2cccnn2)N 7a_100000756359_100016990269 [0,2,0,0,0,0|2,0,0]=4 13921 B17R2.3933 Cc1cccc(c1OCc2cnccn2)Br 34a_100009817157_100016995436 [0,2,0,0,0,0|2,0,0]=4 13922 B17R2.3933 Cc1cccc(c1OCc2cnccn2)Br 7a_100009817157_100016995436 [0,2,0,0,0,0|2,0,0]=4 13923 B17R2.3933 Cc1cccc(c1OCc2cnccn2)C 34a_100000210341_100016995436 [0,2,0,0,0,0|2,0,0]=4 13924 B17R2.3933 Cc1cccc(c1OCc2cnccn2)C 7a_100000210341_100016995436 [0,2,0,0,0,0|2,0,0]=4 13925 B17R2.3933 Cc1cccc(c1OCc2cnccn2)Cl 34a_100000033731_100016995436 [0,2,0,0,0,0|2,0,0]=4 13926 B17R2.3933 Cc1cccc(c1OCc2cnccn2)Cl 7a_100000033731_100016995436 [0,2,0,0,0,0|2,0,0]=4 13927 B17R2.3933 Cc1cccc(c1OCc2cnccn2)F 34a_100011659162_100016995436 [0,2,0,0,0,0|2,0,0]=4 13928 B17R2.3933 Cc1cccc(c1OCc2cnccn2)F 7a_100011659162_100016995436 [0,2,0,0,0,0|2,0,0]=4 13929 B17R2.3933 Cc1cccc(c1OCc2cnccn2)N 34a_100000756359_100016995436 [0,2,0,0,0,0|2,0,0]=4 13930 B17R2.3933 Cc1cccc(c1OCc2cnccn2)N 7a_100000756359_100016995436 [0,2,0,0,0,0|2,0,0]=4 13931 B17R2.3933 Cc1cccc(c1OCc2cncnc2)Br 34a_100009817157_100015196519 [0,2,0,0,0,0|2,0,0]=4 13932 B17R2.3933 Cc1cccc(c1OCc2cncnc2)Br 7a_100009817157_100015196519 [0,2,0,0,0,0|2,0,0]=4 13933 B17R2.3933 Cc1cccc(c1OCc2cncnc2)C 34a_100000210341_100015196519 [0,2,0,0,0,0|2,0,0]=4 13934 B17R2.3933 Cc1cccc(c1OCc2cncnc2)C 7a_100000210341_100015196519 [0,2,0,0,0,0|2,0,0]=4 13935 B17R2.3933 Cc1cccc(c1OCc2cncnc2)Cl 34a_100000033731_100015196519 [0,2,0,0,0,0|2,0,0]=4 13936 B17R2.3933 Cc1cccc(c1OCc2cncnc2)Cl 7a_100000033731_100015196519 [0,2,0,0,0,0|2,0,0]=4 13937 B17R2.3933 Cc1cccc(c1OCc2cncnc2)F 34a_100011659162_100015196519 [0,2,0,0,0,0|2,0,0]=4 13938 B17R2.3933 Cc1cccc(c1OCc2cncnc2)F 7a_100011659162_100015196519 [0,2,0,0,0,0|2,0,0]=4 13939 B17R2.3933 Cc1cccc(c1OCc2cncnc2)N 34a_100000756359_100015196519 [0,2,0,0,0,0|2,0,0]=4 13940 B17R2.3933 Cc1cccc(c1OCc2cncnc2)N 7a_100000756359_100015196519 [0,2,0,0,0,0|2,0,0]=4 13941 B17R2.3933 Cc1cccc(c1SCc2ccccc2)Br 62a_100000211182_100010141302 [0,2,0,0,0,0|2,0,0]=4 13942 B17R2.3933 Cc1cccc(c1SCc2ccccc2)Br 62a_100010141302_100015291786 [0,2,0,0,0,0|2,0,0]=4 13943 B17R2.3933 Cc1cccc(c1SCc2ccccc2)C 62a_100000033847_100015291786 [0,2,0,0,0,0|2,0,0]=4 13944 B17R2.3933 Cc1cccc(c1SCc2ccccc2)C 62a_100000211182_100000033847 [0,2,0,0,0,0|2,0,0]=4 13945 B17R2.3933 Cc1cccc(c1SCc2ccccc2)Cl 62a_100000043165_100015291786 [0,2,0,0,0,0|2,0,0]=4 13946 B17R2.3933 Cc1cccc(c1SCc2ccccc2)Cl 62a_100000211182_100000043165 [0,2,0,0,0,0|2,0,0]=4 13947 B17R2.3933 Cc1cccc(c1SCc2ccccc2)F 62a_100000211182_100011218421 [0,2,0,0,0,0|2,0,0]=4 13948 B17R2.3933 Cc1cccc(c1SCc2ccccc2)F 62a_100011218421_100015291786 [0,2,0,0,0,0|2,0,0]=4 13949 B17R2.3933 Cc1cccc(c1SCc2ccccc2)N 62a_100000211182_100000684715 [0,2,0,0,0,0|2,0,0]=4 13950 B17R2.3933 Cc1cccc(c1SCc2ccccc2)N 62a_100000684715_100015291786 [0,2,0,0,0,0|2,0,0]=4 13951 B17R2.3933 Cc1cccc(c1SCc2ccccc2)O 62a_100000211182_100000686692 [0,2,0,0,0,0|2,0,0]=4 13952 B17R2.3933 Cc1cccc(c1SCc2ccccc2)O 62a_100000686692_100015291786 [0,2,0,0,0,0|2,0,0]=4 13953 B17R2.3933 Cc1cccc(c1SCc2cccnc2)Br 62a_100000741622_100010141302 [0,2,0,0,0,0|1,0,0]=3 13954 B17R2.3933 Cc1cccc(c1SCc2cccnc2)Br 62a_100010141302_100000741622 [0,2,0,0,0,0|1,0,0]=3 13955 B17R2.3933 Cc1cccc(c1SCc2cccnc2)C 62a_100000033847_100000741622 [0,2,0,0,0,0|1,0,0]=3 13956 B17R2.3933 Cc1cccc(c1SCc2cccnc2)C 62a_100000741622_100000033847 [0,2,0,0,0,0|1,0,0]=3 13957 B17R2.3933 Cc1cccc(c1SCc2cccnc2)Cl 62a_100000043165_100000741622 [0,2,0,0,0,0|1,0,0]=3 13958 B17R2.3933 Cc1cccc(c1SCc2cccnc2)Cl 62a_100000741622_100000043165 [0,2,0,0,0,0|1,0,0]=3 13959 B17R2.3933 Cc1cccc(c1SCc2cccnc2)F 62a_100000741622_100011218421 [0,2,0,0,0,0|1,0,0]=3 13960 B17R2.3933 Cc1cccc(c1SCc2cccnc2)F 62a_100011218421_100000741622 [0,2,0,0,0,0|1,0,0]=3 13961 B17R2.3933 Cc1cccc(c1SCc2cccnc2)N 62a_100000684715_100000741622 [0,2,0,0,0,0|1,0,0]=3 13962 B17R2.3933 Cc1cccc(c1SCc2cccnc2)N 62a_100000741622_100000684715 [0,2,0,0,0,0|1,0,0]=3 13963 B17R2.3933 Cc1cccc(c1SCc2cccnc2)O 62a_100000686692_100000741622 [0,2,0,0,0,0|1,0,0]=3 13964 B17R2.3933 Cc1cccc(c1SCc2cccnc2)O 62a_100000741622_100000686692 [0,2,0,0,0,0|1,0,0]=3 13965 B17R2.3933 Cc1cccc(c1SCc2cccnn2)Br 62a_100010141302_100016990269 [0,2,0,0,0,0|2,0,0]=4 13966 B17R2.3933 Cc1cccc(c1SCc2cccnn2)Br 62a_100016990269_100010141302 [0,2,0,0,0,0|2,0,0]=4 13967 B17R2.3933 Cc1cccc(c1SCc2cccnn2)C 62a_100000033847_100016990269 [0,2,0,0,0,0|2,0,0]=4 13968 B17R2.3933 Cc1cccc(c1SCc2cccnn2)C 62a_100016990269_100000033847 [0,2,0,0,0,0|2,0,0]=4 13969 B17R2.3933 Cc1cccc(c1SCc2cccnn2)Cl 62a_100000043165_100016990269 [0,2,0,0,0,0|2,0,0]=4 13970 B17R2.3933 Cc1cccc(c1SCc2cccnn2)Cl 62a_100016990269_100000043165 [0,2,0,0,0,0|2,0,0]=4 13971 B17R2.3933 Cc1cccc(c1SCc2cccnn2)F 62a_100011218421_100016990269 [0,2,0,0,0,0|2,0,0]=4 13972 B17R2.3933 Cc1cccc(c1SCc2cccnn2)F 62a_100016990269_100011218421 [0,2,0,0,0,0|2,0,0]=4 13973 B17R2.3933 Cc1cccc(c1SCc2cccnn2)N 62a_100000684715_100016990269 [0,2,0,0,0,0|2,0,0]=4 13974 B17R2.3933 Cc1cccc(c1SCc2cccnn2)N 62a_100016990269_100000684715 [0,2,0,0,0,0|2,0,0]=4 13975 B17R2.3933 Cc1cccc(c1SCc2cccnn2)O 62a_100000686692_100016990269 [0,2,0,0,0,0|2,0,0]=4 13976 B17R2.3933 Cc1cccc(c1SCc2cccnn2)O 62a_100016990269_100000686692 [0,2,0,0,0,0|2,0,0]=4 13977 B17R2.3933 Cc1cccc(c1SCc2cnccn2)Br 62a_100010141302_100016995436 [0,2,0,0,0,0|2,0,0]=4 13978 B17R2.3933 Cc1cccc(c1SCc2cnccn2)Br 62a_100016995436_100010141302 [0,2,0,0,0,0|2,0,0]=4 13979 B17R2.3933 Cc1cccc(c1SCc2cnccn2)C 62a_100000033847_100016995436 [0,2,0,0,0,0|2,0,0]=4 13980 B17R2.3933 Cc1cccc(c1SCc2cnccn2)C 62a_100016995436_100000033847 [0,2,0,0,0,0|2,0,0]=4 13981 B17R2.3933 Cc1cccc(c1SCc2cnccn2)Cl 62a_100000043165_100016995436 [0,2,0,0,0,0|2,0,0]=4 13982 B17R2.3933 Cc1cccc(c1SCc2cnccn2)Cl 62a_100016995436_100000043165 [0,2,0,0,0,0|2,0,0]=4 13983 B17R2.3933 Cc1cccc(c1SCc2cnccn2)F 62a_100011218421_100016995436 [0,2,0,0,0,0|2,0,0]=4 13984 B17R2.3933 Cc1cccc(c1SCc2cnccn2)F 62a_100016995436_100011218421 [0,2,0,0,0,0|2,0,0]=4 13985 B17R2.3933 Cc1cccc(c1SCc2cnccn2)N 62a_100000684715_100016995436 [0,2,0,0,0,0|2,0,0]=4 13986 B17R2.3933 Cc1cccc(c1SCc2cnccn2)N 62a_100016995436_100000684715 [0,2,0,0,0,0|2,0,0]=4 13987 B17R2.3933 Cc1cccc(c1SCc2cnccn2)O 62a_100000686692_100016995436 [0,2,0,0,0,0|2,0,0]=4 13988 B17R2.3933 Cc1cccc(c1SCc2cnccn2)O 62a_100016995436_100000686692 [0,2,0,0,0,0|2,0,0]=4 13989 B17R2.3933 Cc1cccc(c1SCc2cncnc2)Br 62a_100010141302_100015196519 [0,2,0,0,0,0|2,0,0]=4 13990 B17R2.3933 Cc1cccc(c1SCc2cncnc2)Br 62a_100015196519_100010141302 [0,2,0,0,0,0|2,0,0]=4 13991 B17R2.3933 Cc1cccc(c1SCc2cncnc2)C 62a_100000033847_100015196519 [0,2,0,0,0,0|2,0,0]=4 13992 B17R2.3933 Cc1cccc(c1SCc2cncnc2)C 62a_100015196519_100000033847 [0,2,0,0,0,0|2,0,0]=4 13993 B17R2.3933 Cc1cccc(c1SCc2cncnc2)Cl 62a_100000043165_100015196519 [0,2,0,0,0,0|2,0,0]=4 13994 B17R2.3933 Cc1cccc(c1SCc2cncnc2)Cl 62a_100015196519_100000043165 [0,2,0,0,0,0|2,0,0]=4 13995 B17R2.3933 Cc1cccc(c1SCc2cncnc2)F 62a_100011218421_100015196519 [0,2,0,0,0,0|2,0,0]=4 13996 B17R2.3933 Cc1cccc(c1SCc2cncnc2)F 62a_100015196519_100011218421 [0,2,0,0,0,0|2,0,0]=4 13997 B17R2.3933 Cc1cccc(c1SCc2cncnc2)N 62a_100000684715_100015196519 [0,2,0,0,0,0|2,0,0]=4 13998 B17R2.3933 Cc1cccc(c1SCc2cncnc2)N 62a_100015196519_100000684715 [0,2,0,0,0,0|2,0,0]=4 13999 B17R2.3933 Cc1cccc(c1SCc2cncnc2)O 62a_100000686692_100015196519 [0,2,0,0,0,0|2,0,0]=4 14000 B17R2.3933 Cc1cccc(c1SCc2cncnc2)O 62a_100015196519_100000686692 [0,2,0,0,0,0|2,0,0]=4 14001 B17R2.3933 Cc1ccnc(c1C#Cc2ccccc2)C 271570a_100000069678_100012000501 [0,2,0,0,0,0|1,0,1]=4 14002 B17R2.3933 Cc1ccnc(c1C#Cc2ccccc2)F 271570a_100000069678_100009818256 [0,2,0,0,0,0|1,0,1]=4 14003 B17R2.3933 Cc1ccnc(c1C#Cc2ccccc2)N 271570a_100000069678_100011998619 [0,2,0,0,0,0|1,0,1]=4 14004 B17R2.3933 Cc1ccnc(c1C#Cc2ccccc2)O 271570a_100000069678_100012000493 [0,2,0,0,0,0|1,0,1]=4 14005 B17R2.3933 Cc1ccnc(c1C=Cc2ccccc2)C 271570a_100102527694_100012000501 [0,2,0,0,0,0|1,0,1]=4 14006 B17R2.3933 Cc1ccnc(c1C=Cc2ccccc2)F 271570a_100102527694_100009818256 [0,2,0,0,0,0|1,0,1]=4 14007 B17R2.3933 Cc1ccnc(c1C=Cc2ccccc2)N 271570a_100102527694_100011998619 [0,2,0,0,0,0|1,0,1]=4 14008 B17R2.3933 Cc1ccnc(c1C=Cc2ccccc2)O 271570a_100102527694_100012000493 [0,2,0,0,0,0|1,0,1]=4 14009 B17R2.3933 Cc1ccnc(c1CNc2ccccc2)F 207a_100000106764_100000087869 [0,2,0,0,0,0|0,0,0]=2 14010 B17R2.3933 Cc1ccnc(c1NCc2ccccc2)F 27a_100015324214_100009818256 [0,2,0,0,0,0|2,0,0]=4 14011 B17R2.3933 Cc1ccnc(c1NCc2cccnc2)F 27a_100000210453_100009818256 [0,2,0,0,0,0|1,0,0]=3 14012 B17R2.3933 Cc1ccnc(c1NCc2cccnn2)F 27a_100159270163_100009818256 [0,2,0,0,0,0|2,0,0]=4 14013 B17R2.3933 Cc1ccnc(c1NCc2cnccn2)F 27a_100000737960_100009818256 [0,2,0,0,0,0|2,0,0]=4 14014 B17R2.3933 Cc1ccnc(c1NCc2cncnc2)F 27a_100011243677_100009818256 [0,2,0,0,0,0|2,0,0]=4 14015 B17R2.3933 Cc1ccnc(c1OCc2ccccc2)C 34a_100011934651_100015291786 [0,2,0,0,0,0|2,0,0]=4 14016 B17R2.3933 Cc1ccnc(c1OCc2ccccc2)C 7a_100011934651_100000211182 [0,2,0,0,0,0|2,0,0]=4 14017 B17R2.3933 Cc1ccnc(c1OCc2ccccc2)Cl 34a_100000696282_100015291786 [0,2,0,0,0,0|2,0,0]=4 14018 B17R2.3933 Cc1ccnc(c1OCc2ccccc2)Cl 7a_100000696282_100000211182 [0,2,0,0,0,0|2,0,0]=4 14019 B17R2.3933 Cc1ccnc(c1OCc2cccnc2)C 34a_100011934651_100000733263 [0,2,0,0,0,0|2,0,0]=4 14020 B17R2.3933 Cc1ccnc(c1OCc2cccnc2)C 7a_100011934651_100000741622 [0,2,0,0,0,0|2,0,0]=4 14021 B17R2.3933 Cc1ccnc(c1OCc2cccnc2)Cl 34a_100000696282_100000733263 [0,2,0,0,0,0|2,0,0]=4 14022 B17R2.3933 Cc1ccnc(c1OCc2cccnc2)Cl 7a_100000696282_100000741622 [0,2,0,0,0,0|2,0,0]=4 14023 B17R2.3933 Cc1ccnc(c1SCc2ccccc2)C 62a_100000211182_100012000501 [0,2,0,0,0,0|2,0,0]=4 14024 B17R2.3933 Cc1ccnc(c1SCc2ccccc2)C 62a_100012000501_100015291786 [0,2,0,0,0,0|2,0,0]=4 14025 B17R2.3933 Cc1ccnc(c1SCc2ccccc2)Cl 62a_100000211182_100010248874 [0,2,0,0,0,0|2,0,0]=4 14026 B17R2.3933 Cc1ccnc(c1SCc2ccccc2)Cl 62a_100010248874_100015291786 [0,2,0,0,0,0|2,0,0]=4 14027 B17R2.3933 Cc1ccnc(c1SCc2ccccc2)F 62a_100000211182_100009818256 [0,2,0,0,0,0|2,0,0]=4 14028 B17R2.3933 Cc1ccnc(c1SCc2ccccc2)F 62a_100009818256_100015291786 [0,2,0,0,0,0|2,0,0]=4 14029 B17R2.3933 Cc1ccnc(c1SCc2ccccc2)N 62a_100000211182_100011998619 [0,2,0,0,0,0|2,0,0]=4 14030 B17R2.3933 Cc1ccnc(c1SCc2ccccc2)N 62a_100011998619_100015291786 [0,2,0,0,0,0|2,0,0]=4 14031 B17R2.3933 Cc1ccnc(c1SCc2ccccc2)O 62a_100000211182_100012000493 [0,2,0,0,0,0|2,0,0]=4 14032 B17R2.3933 Cc1ccnc(c1SCc2ccccc2)O 62a_100012000493_100015291786 [0,2,0,0,0,0|2,0,0]=4 14033 B17R2.3933 Cc1ccnc(c1SCc2cccnc2)C 62a_100000741622_100012000501 [0,2,0,0,0,0|2,0,0]=4 14034 B17R2.3933 Cc1ccnc(c1SCc2cccnc2)C 62a_100012000501_100000741622 [0,2,0,0,0,0|2,0,0]=4 14035 B17R2.3933 Cc1ccnc(c1SCc2cccnc2)Cl 62a_100000741622_100010248874 [0,2,0,0,0,0|2,0,0]=4 14036 B17R2.3933 Cc1ccnc(c1SCc2cccnc2)Cl 62a_100010248874_100000741622 [0,2,0,0,0,0|2,0,0]=4 14037 B17R2.3933 Cc1ccnc(c1SCc2cccnc2)F 62a_100000741622_100009818256 [0,2,0,0,0,0|2,0,0]=4 14038 B17R2.3933 Cc1ccnc(c1SCc2cccnc2)F 62a_100009818256_100000741622 [0,2,0,0,0,0|2,0,0]=4 14039 B17R2.3933 Cc1ccnc(c1SCc2cccnc2)N 62a_100000741622_100011998619 [0,2,0,0,0,0|2,0,0]=4 14040 B17R2.3933 Cc1ccnc(c1SCc2cccnc2)N 62a_100011998619_100000741622 [0,2,0,0,0,0|2,0,0]=4 14041 B17R2.3933 Cc1ccnc(c1SCc2cccnc2)O 62a_100000741622_100012000493 [0,2,0,0,0,0|2,0,0]=4 14042 B17R2.3933 Cc1ccnc(c1SCc2cccnc2)O 62a_100012000493_100000741622 [0,2,0,0,0,0|2,0,0]=4 14043 B17R2.3933 Cc1cncc(c1SCc2cccnc2)C 62a_100000741622_100009817138 [0,2,0,0,0,0|2,0,0]=4 14044 B17R2.3933 Cc1cncc(c1SCc2cccnc2)C 62a_100009817138_100000741622 [0,2,0,0,0,0|2,0,0]=4 14045 B17R2.3933 Cc1nccc(c1C#Cc2ccccc2)N 271570a_100000069678_100010243816 [0,2,0,0,0,0|1,0,1]=4 14046 B17R2.3933 Cc1nccc(c1C=Cc2ccccc2)N 271570a_100102527694_100010243816 [0,2,0,0,0,0|1,0,1]=4 14047 B17R2.3933 Cc1nccc(c1SCc2ccccc2)N 62a_100000211182_100010243816 [0,2,0,0,0,0|2,0,0]=4 14048 B17R2.3933 Cc1nccc(c1SCc2ccccc2)N 62a_100010243816_100015291786 [0,2,0,0,0,0|2,0,0]=4 14049 B17R2.3933 Cc1nccc(c1SCc2cccnc2)N 62a_100000741622_100010243816 [0,2,0,0,0,0|2,0,0]=4 14050 B17R2.3933 Cc1nccc(c1SCc2cccnc2)N 62a_100010243816_100000741622 [0,2,0,0,0,0|2,0,0]=4 14051 B17R2.3933 Cc1ncnc(c1NCc2cccnc2)C 27a_100000210453_100009820708 [0,2,0,0,0,0|2,0,0]=4 14052 B17R2.3933 Cc1occc(=O)c1OCc2cccnc2 34a_100000031901_100000733263 [0,2,0,0,0,0|2,0,0]=4 14053 B17R2.3933 Clc1cccc(c1C=Cc2cccnc2)Br 271570a_100102525586_100010214488 [0,2,0,0,0,0|1,0,1]=4 14054 B17R2.3933 Clc1cccc(c1C=Cc2cccnc2)Cl 271570a_100102525586_100000034237 [0,2,0,0,0,0|1,0,1]=4 14055 B17R2.3933 Clc1cccc(c1CNc2ccccc2)Br 207a_100000106764_100011249081 [0,2,0,0,0,0|1,0,0]=3 14056 B17R2.3933 Clc1cccc(c1CNc2ccccc2)Br 270302a_100000106764_100011249081 [0,2,0,0,0,0|1,0,0]=3 14057 B17R2.3933 Clc1cccc(c1CNc2ccccc2)Br 34a_100000106764_100010138402 [0,2,0,0,0,0|1,0,0]=3 14058 B17R2.3933 Clc1cccc(c1CNc2ccccc2)Cl 207a_100000106764_100000189306 [0,2,0,0,0,0|1,0,0]=3 14059 B17R2.3933 Clc1cccc(c1CNc2ccccc2)Cl 270302a_100000106764_100000189306 [0,2,0,0,0,0|1,0,0]=3 14060 B17R2.3933 Clc1cccc(c1CNc2ccccc2)Cl 34a_100000106764_100000187851 [0,2,0,0,0,0|1,0,0]=3 14061 B17R2.3933 Clc1cccc(c1CNc2ccccc2)I 207a_100000106764_100010147682 [0,2,0,0,0,0|1,0,0]=3 14062 B17R2.3933 Clc1cccc(c1COc2ccccc2)Br 34a_100000210340_100010138402 [0,2,0,0,0,0|2,0,0]=4 14063 B17R2.3933 Clc1cccc(c1COc2ccccc2)Br 7a_100000210340_100010138402 [0,2,0,0,0,0|2,0,0]=4 14064 B17R2.3933 Clc1cccc(c1COc2ccccc2)Cl 34a_100000210340_100000187851 [0,2,0,0,0,0|2,0,0]=4 14065 B17R2.3933 Clc1cccc(c1COc2ccccc2)Cl 7a_100000210340_100000187851 [0,2,0,0,0,0|2,0,0]=4 14066 B17R2.3933 Clc1cccc(c1COc2cccnc2)Br 34a_100000210849_100010138402 [0,2,0,0,0,0|2,0,0]=4 14067 B17R2.3933 Clc1cccc(c1COc2cccnc2)Br 7a_100000210849_100010138402 [0,2,0,0,0,0|2,0,0]=4 14068 B17R2.3933 Clc1cccc(c1COc2cccnc2)Cl 34a_100000210849_100000187851 [0,2,0,0,0,0|2,0,0]=4 14069 B17R2.3933 Clc1cccc(c1COc2cccnc2)Cl 7a_100000210849_100000187851 [0,2,0,0,0,0|2,0,0]=4 14070 B17R2.3933 Clc1cccc(c1CSc2ccccc2)Br 62a_100000719477_100010138402 [0,2,0,0,0,0|2,0,0]=4 14071 B17R2.3933 Clc1cccc(c1CSc2ccccc2)Br 62a_100010138402_100000041952 [0,2,0,0,0,0|2,0,0]=4 14072 B17R2.3933 Clc1cccc(c1CSc2ccccc2)Cl 62a_100000187851_100000041952 [0,2,0,0,0,0|2,0,0]=4 14073 B17R2.3933 Clc1cccc(c1CSc2ccccc2)Cl 62a_100000719477_100000187851 [0,2,0,0,0,0|2,0,0]=4 14074 B17R2.3933 Clc1cccc(c1CSc2cccnc2)Br 62a_100000210063_100010138402 [0,2,0,0,0,0|2,0,0]=4 14075 B17R2.3933 Clc1cccc(c1CSc2cccnc2)Br 62a_100010138402_100000210063 [0,2,0,0,0,0|2,0,0]=4 14076 B17R2.3933 Clc1cccc(c1CSc2cccnc2)Cl 62a_100000187851_100000210063 [0,2,0,0,0,0|2,0,0]=4 14077 B17R2.3933 Clc1cccc(c1CSc2cccnc2)Cl 62a_100000210063_100000187851 [0,2,0,0,0,0|2,0,0]=4 14078 B17R2.3933 Clc1cccc(c1NCc2ccccc2)Br 34a_100102946385_100015291786 [0,2,0,0,0,0|1,0,0]=3 14079 B17R2.3933 Clc1cccc(c1NCc2ccccc2)Cl 34a_100000210028_100015291786 [0,2,0,0,0,0|1,0,0]=3 14080 B17R2.3933 Clc1cccc(c1NCc2ccccn2)Br 34a_100102946385_100000721315 [0,2,0,0,0,0|2,0,0]=4 14081 B17R2.3933 Clc1cccc(c1NCc2ccccn2)Cl 34a_100000210028_100000721315 [0,2,0,0,0,0|2,0,0]=4 14082 B17R2.3933 Clc1cccc(c1NCc2cccnc2)Br 34a_100102946385_100000733263 [0,2,0,0,0,0|0,0,0]=2 14083 B17R2.3933 Clc1cccc(c1NCc2cccnc2)Cl 34a_100000210028_100000733263 [0,2,0,0,0,0|0,0,0]=2 14084 B17R2.3933 Clc1cccc(c1NCc2cccnn2)Br 34a_100102946385_100016990269 [0,2,0,0,0,0|1,0,0]=3 14085 B17R2.3933 Clc1cccc(c1NCc2cccnn2)Cl 34a_100000210028_100016990269 [0,2,0,0,0,0|1,0,0]=3 14086 B17R2.3933 Clc1cccc(c1NCc2cnccn2)Br 34a_100102946385_100016995436 [0,2,0,0,0,0|1,0,0]=3 14087 B17R2.3933 Clc1cccc(c1NCc2cnccn2)Cl 34a_100000210028_100016995436 [0,2,0,0,0,0|1,0,0]=3 14088 B17R2.3933 Clc1cccc(c1NCc2cncnc2)Br 34a_100102946385_100015196519 [0,2,0,0,0,0|1,0,0]=3 14089 B17R2.3933 Clc1cccc(c1NCc2cncnc2)Cl 34a_100000210028_100015196519 [0,2,0,0,0,0|1,0,0]=3 14090 B17R2.3933 Clc1cccc(c1OCc2ccccc2)Br 34a_100010214474_100015291786 [0,2,0,0,0,0|2,0,0]=4 14091 B17R2.3933 Clc1cccc(c1OCc2ccccc2)Br 7a_100010214474_100000211182 [0,2,0,0,0,0|2,0,0]=4 14092 B17R2.3933 Clc1cccc(c1OCc2ccccc2)Cl 34a_100000211709_100015291786 [0,2,0,0,0,0|2,0,0]=4 14093 B17R2.3933 Clc1cccc(c1OCc2ccccc2)Cl 7a_100000211709_100000211182 [0,2,0,0,0,0|2,0,0]=4 14094 B17R2.3933 Clc1cccc(c1OCc2ccccc2)I 34a_100010202889_100015291786 [0,2,0,0,0,0|2,0,0]=4 14095 B17R2.3933 Clc1cccc(c1OCc2ccccc2)I 7a_100010202889_100000211182 [0,2,0,0,0,0|2,0,0]=4 14096 B17R2.3933 Clc1cccc(c1OCc2cccnc2)Br 34a_100010214474_100000733263 [0,2,0,0,0,0|1,0,0]=3 14097 B17R2.3933 Clc1cccc(c1OCc2cccnc2)Br 7a_100010214474_100000741622 [0,2,0,0,0,0|1,0,0]=3 14098 B17R2.3933 Clc1cccc(c1OCc2cccnc2)Cl 34a_100000211709_100000733263 [0,2,0,0,0,0|1,0,0]=3 14099 B17R2.3933 Clc1cccc(c1OCc2cccnc2)Cl 7a_100000211709_100000741622 [0,2,0,0,0,0|1,0,0]=3 14100 B17R2.3933 Clc1cccc(c1OCc2cccnc2)I 34a_100010202889_100000733263 [0,2,0,0,0,0|1,0,0]=3 14101 B17R2.3933 Clc1cccc(c1OCc2cccnc2)I 7a_100010202889_100000741622 [0,2,0,0,0,0|1,0,0]=3 14102 B17R2.3933 Clc1cccc(c1OCc2cccnn2)Br 34a_100010214474_100016990269 [0,2,0,0,0,0|2,0,0]=4 14103 B17R2.3933 Clc1cccc(c1OCc2cccnn2)Br 7a_100010214474_100016990269 [0,2,0,0,0,0|2,0,0]=4 14104 B17R2.3933 Clc1cccc(c1OCc2cccnn2)Cl 34a_100000211709_100016990269 [0,2,0,0,0,0|2,0,0]=4 14105 B17R2.3933 Clc1cccc(c1OCc2cccnn2)Cl 7a_100000211709_100016990269 [0,2,0,0,0,0|2,0,0]=4 14106 B17R2.3933 Clc1cccc(c1OCc2cccnn2)I 34a_100010202889_100016990269 [0,2,0,0,0,0|2,0,0]=4 14107 B17R2.3933 Clc1cccc(c1OCc2cccnn2)I 7a_100010202889_100016990269 [0,2,0,0,0,0|2,0,0]=4 14108 B17R2.3933 Clc1cccc(c1OCc2cnccn2)Br 34a_100010214474_100016995436 [0,2,0,0,0,0|2,0,0]=4 14109 B17R2.3933 Clc1cccc(c1OCc2cnccn2)Br 7a_100010214474_100016995436 [0,2,0,0,0,0|2,0,0]=4 14110 B17R2.3933 Clc1cccc(c1OCc2cnccn2)Cl 34a_100000211709_100016995436 [0,2,0,0,0,0|2,0,0]=4 14111 B17R2.3933 Clc1cccc(c1OCc2cnccn2)Cl 7a_100000211709_100016995436 [0,2,0,0,0,0|2,0,0]=4 14112 B17R2.3933 Clc1cccc(c1OCc2cnccn2)I 34a_100010202889_100016995436 [0,2,0,0,0,0|2,0,0]=4 14113 B17R2.3933 Clc1cccc(c1OCc2cnccn2)I 7a_100010202889_100016995436 [0,2,0,0,0,0|2,0,0]=4 14114 B17R2.3933 Clc1cccc(c1OCc2cncnc2)Br 34a_100010214474_100015196519 [0,2,0,0,0,0|2,0,0]=4 14115 B17R2.3933 Clc1cccc(c1OCc2cncnc2)Br 7a_100010214474_100015196519 [0,2,0,0,0,0|2,0,0]=4 14116 B17R2.3933 Clc1cccc(c1OCc2cncnc2)Cl 34a_100000211709_100015196519 [0,2,0,0,0,0|2,0,0]=4 14117 B17R2.3933 Clc1cccc(c1OCc2cncnc2)Cl 7a_100000211709_100015196519 [0,2,0,0,0,0|2,0,0]=4 14118 B17R2.3933 Clc1cccc(c1OCc2cncnc2)I 34a_100010202889_100015196519 [0,2,0,0,0,0|2,0,0]=4 14119 B17R2.3933 Clc1cccc(c1OCc2cncnc2)I 7a_100010202889_100015196519 [0,2,0,0,0,0|2,0,0]=4 14120 B17R2.3933 Clc1cccc(c1SCc2ccccc2)Br 62a_100000211182_100010214488 [0,2,0,0,0,0|2,0,0]=4 14121 B17R2.3933 Clc1cccc(c1SCc2ccccc2)Br 62a_100010214488_100015291786 [0,2,0,0,0,0|2,0,0]=4 14122 B17R2.3933 Clc1cccc(c1SCc2ccccc2)Cl 62a_100000034237_100015291786 [0,2,0,0,0,0|2,0,0]=4 14123 B17R2.3933 Clc1cccc(c1SCc2ccccc2)Cl 62a_100000211182_100000034237 [0,2,0,0,0,0|2,0,0]=4 14124 B17R2.3933 Clc1cccc(c1SCc2cccnc2)Br 62a_100000741622_100010214488 [0,2,0,0,0,0|1,0,0]=3 14125 B17R2.3933 Clc1cccc(c1SCc2cccnc2)Br 62a_100010214488_100000741622 [0,2,0,0,0,0|1,0,0]=3 14126 B17R2.3933 Clc1cccc(c1SCc2cccnc2)Cl 62a_100000034237_100000741622 [0,2,0,0,0,0|1,0,0]=3 14127 B17R2.3933 Clc1cccc(c1SCc2cccnc2)Cl 62a_100000741622_100000034237 [0,2,0,0,0,0|1,0,0]=3 14128 B17R2.3933 Clc1cccc(c1SCc2cccnn2)Br 62a_100010214488_100016990269 [0,2,0,0,0,0|2,0,0]=4 14129 B17R2.3933 Clc1cccc(c1SCc2cccnn2)Br 62a_100016990269_100010214488 [0,2,0,0,0,0|2,0,0]=4 14130 B17R2.3933 Clc1cccc(c1SCc2cccnn2)Cl 62a_100000034237_100016990269 [0,2,0,0,0,0|2,0,0]=4 14131 B17R2.3933 Clc1cccc(c1SCc2cccnn2)Cl 62a_100016990269_100000034237 [0,2,0,0,0,0|2,0,0]=4 14132 B17R2.3933 Clc1cccc(c1SCc2cnccn2)Br 62a_100010214488_100016995436 [0,2,0,0,0,0|2,0,0]=4 14133 B17R2.3933 Clc1cccc(c1SCc2cnccn2)Br 62a_100016995436_100010214488 [0,2,0,0,0,0|2,0,0]=4 14134 B17R2.3933 Clc1cccc(c1SCc2cnccn2)Cl 62a_100000034237_100016995436 [0,2,0,0,0,0|2,0,0]=4 14135 B17R2.3933 Clc1cccc(c1SCc2cnccn2)Cl 62a_100016995436_100000034237 [0,2,0,0,0,0|2,0,0]=4 14136 B17R2.3933 Clc1cccc(c1SCc2cncnc2)Br 62a_100010214488_100015196519 [0,2,0,0,0,0|2,0,0]=4 14137 B17R2.3933 Clc1cccc(c1SCc2cncnc2)Br 62a_100015196519_100010214488 [0,2,0,0,0,0|2,0,0]=4 14138 B17R2.3933 Clc1cccc(c1SCc2cncnc2)Cl 62a_100000034237_100015196519 [0,2,0,0,0,0|2,0,0]=4 14139 B17R2.3933 Clc1cccc(c1SCc2cncnc2)Cl 62a_100015196519_100000034237 [0,2,0,0,0,0|2,0,0]=4 14140 B17R2.3933 Clc1ccnc(c1OCc2ccccc2)Cl 34a_100000118450_100015291786 [0,2,0,0,0,0|2,0,0]=4 14141 B17R2.3933 Clc1ccnc(c1OCc2ccccc2)Cl 7a_100000118450_100000211182 [0,2,0,0,0,0|2,0,0]=4 14142 B17R2.3933 Clc1ccnc(c1OCc2cccnc2)Cl 34a_100000118450_100000733263 [0,2,0,0,0,0|2,0,0]=4 14143 B17R2.3933 Clc1ccnc(c1OCc2cccnc2)Cl 7a_100000118450_100000741622 [0,2,0,0,0,0|2,0,0]=4 14144 B17R2.3933 Clc1ccnc(c1SCc2ccccc2)Cl 62a_100000050019_100015291786 [0,2,0,0,0,0|2,0,0]=4 14145 B17R2.3933 Clc1ccnc(c1SCc2ccccc2)Cl 62a_100000211182_100000050019 [0,2,0,0,0,0|2,0,0]=4 14146 B17R2.3933 Clc1ccnc(c1SCc2cccnc2)Cl 62a_100000050019_100000741622 [0,2,0,0,0,0|2,0,0]=4 14147 B17R2.3933 Clc1ccnc(c1SCc2cccnc2)Cl 62a_100000741622_100000050019 [0,2,0,0,0,0|2,0,0]=4 14148 B17R2.3933 Clc1cncc(c1CNc2ccccc2)Br 207a_100000106764_100010064873 [0,2,0,0,0,0|2,0,0]=4 14149 B17R2.3933 Clc1cncc(c1CNc2ccccc2)Br 270302a_100000106764_100010064873 [0,2,0,0,0,0|2,0,0]=4 14150 B17R2.3933 Clc1cncc(c1CNc2ccccc2)Cl 207a_100000106764_100000067493 [0,2,0,0,0,0|2,0,0]=4 14151 B17R2.3933 Clc1cncc(c1CNc2ccccc2)Cl 270302a_100000106764_100000067493 [0,2,0,0,0,0|2,0,0]=4 14152 B17R2.3933 Clc1cncc(c1CNc2ccccc2)Cl 34a_100000106764_200009872113 [0,2,0,0,0,0|2,0,0]=4 14153 B17R2.3933 Clc1cncc(c1SCc2cccnc2)Cl 62a_100000036193_100000741622 [0,2,0,0,0,0|2,0,0]=4 14154 B17R2.3933 Clc1cncc(c1SCc2cccnc2)Cl 62a_100000741622_100000036193 [0,2,0,0,0,0|2,0,0]=4 14155 B17R2.3933 Clc1nccc(c1OCc2ccccc2)I 34a_100010067911_100015291786 [0,2,0,0,0,0|2,0,0]=4 14156 B17R2.3933 Clc1nccc(c1OCc2ccccc2)I 7a_100010067911_100000211182 [0,2,0,0,0,0|2,0,0]=4 14157 B17R2.3933 Clc1nccc(c1OCc2cccnc2)I 34a_100010067911_100000733263 [0,2,0,0,0,0|2,0,0]=4 14158 B17R2.3933 Clc1nccc(c1OCc2cccnc2)I 7a_100010067911_100000741622 [0,2,0,0,0,0|2,0,0]=4 14159 B17R2.3933 Clc1nccc(c1SCc2ccccc2)Br 62a_100000211182_100009814607 [0,2,0,0,0,0|2,0,0]=4 14160 B17R2.3933 Clc1nccc(c1SCc2ccccc2)Br 62a_100009814607_100015291786 [0,2,0,0,0,0|2,0,0]=4 14161 B17R2.3933 Clc1nccc(c1SCc2cccnc2)Br 62a_100000741622_100009814607 [0,2,0,0,0,0|2,0,0]=4 14162 B17R2.3933 Clc1nccc(c1SCc2cccnc2)Br 62a_100009814607_100000741622 [0,2,0,0,0,0|2,0,0]=4 14163 B17R2.3933 Fc1cccc(c1C=Cc2cccnc2)Br 271570a_100102525586_100011219512 [0,2,0,0,0,0|1,0,1]=4 14164 B17R2.3933 Fc1cccc(c1C=Cc2cccnc2)Cl 271570a_100102525586_100000050007 [0,2,0,0,0,0|1,0,1]=4 14165 B17R2.3933 Fc1cccc(c1C=Cc2cccnc2)F 271570a_100102525586_100000693133 [0,2,0,0,0,0|1,0,1]=4 14166 B17R2.3933 Fc1cccc(c1CNc2ccccc2)Br 207a_100000106764_100000752695 [0,2,0,0,0,0|1,0,0]=3 14167 B17R2.3933 Fc1cccc(c1CNc2ccccc2)Br 34a_100000106764_100012145669 [0,2,0,0,0,0|1,0,0]=3 14168 B17R2.3933 Fc1cccc(c1CNc2ccccc2)Cl 207a_100000106764_100000210083 [0,2,0,0,0,0|1,0,0]=3 14169 B17R2.3933 Fc1cccc(c1CNc2ccccc2)Cl 270302a_100000106764_100000210083 [0,2,0,0,0,0|1,0,0]=3 14170 B17R2.3933 Fc1cccc(c1CNc2ccccc2)Cl 34a_100000106764_100000187852 [0,2,0,0,0,0|1,0,0]=3 14171 B17R2.3933 Fc1cccc(c1CNc2ccccc2)F 207a_100000106764_100000211061 [0,2,0,0,0,0|1,0,0]=3 14172 B17R2.3933 Fc1cccc(c1CNc2ccccc2)F 270302a_100000106764_100000211061 [0,2,0,0,0,0|1,0,0]=3 14173 B17R2.3933 Fc1cccc(c1CNc2ccccc2)F 34a_100000106764_100000698325 [0,2,0,0,0,0|1,0,0]=3 14174 B17R2.3933 Fc1cccc(c1CNc2ccccc2)I 207a_100000106764_100010178011 [0,2,0,0,0,0|1,0,0]=3 14175 B17R2.3933 Fc1cccc(c1CNc2ccccc2)I 34a_100000106764_100010149602 [0,2,0,0,0,0|1,0,0]=3 14176 B17R2.3933 Fc1cccc(c1COc2ccccc2)Br 34a_100000210340_100012145669 [0,2,0,0,0,0|2,0,0]=4 14177 B17R2.3933 Fc1cccc(c1COc2ccccc2)Br 7a_100000210340_100000696636 [0,2,0,0,0,0|2,0,0]=4 14178 B17R2.3933 Fc1cccc(c1COc2ccccc2)Cl 34a_100000210340_100000187852 [0,2,0,0,0,0|2,0,0]=4 14179 B17R2.3933 Fc1cccc(c1COc2ccccc2)Cl 7a_100000210340_100000187852 [0,2,0,0,0,0|2,0,0]=4 14180 B17R2.3933 Fc1cccc(c1COc2ccccc2)F 34a_100000210340_100000698325 [0,2,0,0,0,0|2,0,0]=4 14181 B17R2.3933 Fc1cccc(c1COc2ccccc2)F 7a_100000210340_100000698325 [0,2,0,0,0,0|2,0,0]=4 14182 B17R2.3933 Fc1cccc(c1COc2ccccc2)I 34a_100000210340_100010149602 [0,2,0,0,0,0|2,0,0]=4 14183 B17R2.3933 Fc1cccc(c1COc2ccccc2)I 7a_100000210340_100010149602 [0,2,0,0,0,0|2,0,0]=4 14184 B17R2.3933 Fc1cccc(c1COc2cccnc2)Br 34a_100000210849_100012145669 [0,2,0,0,0,0|2,0,0]=4 14185 B17R2.3933 Fc1cccc(c1COc2cccnc2)Br 7a_100000210849_100000696636 [0,2,0,0,0,0|2,0,0]=4 14186 B17R2.3933 Fc1cccc(c1COc2cccnc2)Cl 34a_100000210849_100000187852 [0,2,0,0,0,0|2,0,0]=4 14187 B17R2.3933 Fc1cccc(c1COc2cccnc2)Cl 7a_100000210849_100000187852 [0,2,0,0,0,0|2,0,0]=4 14188 B17R2.3933 Fc1cccc(c1COc2cccnc2)F 34a_100000210849_100000698325 [0,2,0,0,0,0|2,0,0]=4 14189 B17R2.3933 Fc1cccc(c1COc2cccnc2)F 7a_100000210849_100000698325 [0,2,0,0,0,0|2,0,0]=4 14190 B17R2.3933 Fc1cccc(c1COc2cccnc2)I 34a_100000210849_100010149602 [0,2,0,0,0,0|2,0,0]=4 14191 B17R2.3933 Fc1cccc(c1COc2cccnc2)I 7a_100000210849_100010149602 [0,2,0,0,0,0|2,0,0]=4 14192 B17R2.3933 Fc1cccc(c1CSc2ccccc2)Br 62a_100000719477_100012145669 [0,2,0,0,0,0|2,0,0]=4 14193 B17R2.3933 Fc1cccc(c1CSc2ccccc2)Br 62a_100012145669_100000041952 [0,2,0,0,0,0|2,0,0]=4 14194 B17R2.3933 Fc1cccc(c1CSc2ccccc2)Cl 62a_100000187852_100000041952 [0,2,0,0,0,0|2,0,0]=4 14195 B17R2.3933 Fc1cccc(c1CSc2ccccc2)Cl 62a_100000719477_100000187852 [0,2,0,0,0,0|2,0,0]=4 14196 B17R2.3933 Fc1cccc(c1CSc2ccccc2)F 62a_100000709179_100000041952 [0,2,0,0,0,0|2,0,0]=4 14197 B17R2.3933 Fc1cccc(c1CSc2ccccc2)F 62a_100000719477_100000698325 [0,2,0,0,0,0|2,0,0]=4 14198 B17R2.3933 Fc1cccc(c1CSc2ccccc2)I 62a_100000719477_100010149602 [0,2,0,0,0,0|2,0,0]=4 14199 B17R2.3933 Fc1cccc(c1CSc2ccccc2)I 62a_100010149602_100000041952 [0,2,0,0,0,0|2,0,0]=4 14200 B17R2.3933 Fc1cccc(c1CSc2cccnc2)Br 62a_100000210063_100012145669 [0,2,0,0,0,0|2,0,0]=4 14201 B17R2.3933 Fc1cccc(c1CSc2cccnc2)Br 62a_100012145669_100000210063 [0,2,0,0,0,0|2,0,0]=4 14202 B17R2.3933 Fc1cccc(c1CSc2cccnc2)Cl 62a_100000187852_100000210063 [0,2,0,0,0,0|2,0,0]=4 14203 B17R2.3933 Fc1cccc(c1CSc2cccnc2)Cl 62a_100000210063_100000187852 [0,2,0,0,0,0|2,0,0]=4 14204 B17R2.3933 Fc1cccc(c1CSc2cccnc2)F 62a_100000210063_100000698325 [0,2,0,0,0,0|2,0,0]=4 14205 B17R2.3933 Fc1cccc(c1CSc2cccnc2)F 62a_100000709179_100000210063 [0,2,0,0,0,0|2,0,0]=4 14206 B17R2.3933 Fc1cccc(c1CSc2cccnc2)I 62a_100000210063_100010149602 [0,2,0,0,0,0|2,0,0]=4 14207 B17R2.3933 Fc1cccc(c1CSc2cccnc2)I 62a_100010149602_100000210063 [0,2,0,0,0,0|2,0,0]=4 14208 B17R2.3933 Fc1cccc(c1NCc2ccccc2)Br 34a_100000684712_100015291786 [0,2,0,0,0,0|1,0,0]=3 14209 B17R2.3933 Fc1cccc(c1NCc2ccccc2)Cl 34a_100000760031_100015291786 [0,2,0,0,0,0|1,0,0]=3 14210 B17R2.3933 Fc1cccc(c1NCc2ccccc2)F 207a_100000210704_100015611070 [0,2,0,0,0,0|1,0,0]=3 14211 B17R2.3933 Fc1cccc(c1NCc2ccccc2)F 2230a_100000210704_100015291786 [0,2,0,0,0,0|1,0,0]=3 14212 B17R2.3933 Fc1cccc(c1NCc2ccccc2)F 34a_100000210704_100015291786 [0,2,0,0,0,0|1,0,0]=3 14213 B17R2.3933 Fc1cccc(c1NCc2ccccc2)I 34a_100000042321_100015291786 [0,2,0,0,0,0|1,0,0]=3 14214 B17R2.3933 Fc1cccc(c1NCc2ccccn2)Br 34a_100000684712_100000721315 [0,2,0,0,0,0|2,0,0]=4 14215 B17R2.3933 Fc1cccc(c1NCc2ccccn2)Cl 34a_100000760031_100000721315 [0,2,0,0,0,0|2,0,0]=4 14216 B17R2.3933 Fc1cccc(c1NCc2ccccn2)F 207a_100000210704_100000209966 [0,2,0,0,0,0|2,0,0]=4 14217 B17R2.3933 Fc1cccc(c1NCc2ccccn2)F 2230a_100000210704_100000721315 [0,2,0,0,0,0|2,0,0]=4 14218 B17R2.3933 Fc1cccc(c1NCc2ccccn2)F 34a_100000210704_100000721315 [0,2,0,0,0,0|2,0,0]=4 14219 B17R2.3933 Fc1cccc(c1NCc2ccccn2)I 34a_100000042321_100000721315 [0,2,0,0,0,0|2,0,0]=4 14220 B17R2.3933 Fc1cccc(c1NCc2cccnc2)Br 34a_100000684712_100000733263 [0,2,0,0,0,0|0,0,0]=2 14221 B17R2.3933 Fc1cccc(c1NCc2cccnc2)Cl 34a_100000760031_100000733263 [0,2,0,0,0,0|0,0,0]=2 14222 B17R2.3933 Fc1cccc(c1NCc2cccnc2)F 207a_100000210704_100000209961 [0,2,0,0,0,0|0,0,0]=2 14223 B17R2.3933 Fc1cccc(c1NCc2cccnc2)F 2230a_100000210704_100000741622 [0,2,0,0,0,0|0,0,0]=2 14224 B17R2.3933 Fc1cccc(c1NCc2cccnc2)F 34a_100000210704_100000733263 [0,2,0,0,0,0|0,0,0]=2 14225 B17R2.3933 Fc1cccc(c1NCc2cccnc2)I 34a_100000042321_100000733263 [0,2,0,0,0,0|0,0,0]=2 14226 B17R2.3933 Fc1cccc(c1NCc2cccnn2)Br 34a_100000684712_100016990269 [0,2,0,0,0,0|1,0,0]=3 14227 B17R2.3933 Fc1cccc(c1NCc2cccnn2)Cl 34a_100000760031_100016990269 [0,2,0,0,0,0|1,0,0]=3 14228 B17R2.3933 Fc1cccc(c1NCc2cccnn2)F 2230a_100000210704_100016990269 [0,2,0,0,0,0|1,0,0]=3 14229 B17R2.3933 Fc1cccc(c1NCc2cccnn2)F 34a_100000210704_100016990269 [0,2,0,0,0,0|1,0,0]=3 14230 B17R2.3933 Fc1cccc(c1NCc2cccnn2)I 34a_100000042321_100016990269 [0,2,0,0,0,0|1,0,0]=3 14231 B17R2.3933 Fc1cccc(c1NCc2ccncc2)F 207a_100000210704_100000186114 [0,2,0,0,0,0|2,0,0]=4 14232 B17R2.3933 Fc1cccc(c1NCc2ccncc2)F 2230a_100000210704_100015193705 [0,2,0,0,0,0|2,0,0]=4 14233 B17R2.3933 Fc1cccc(c1NCc2cnccn2)Br 34a_100000684712_100016995436 [0,2,0,0,0,0|1,0,0]=3 14234 B17R2.3933 Fc1cccc(c1NCc2cnccn2)Cl 34a_100000760031_100016995436 [0,2,0,0,0,0|1,0,0]=3 14235 B17R2.3933 Fc1cccc(c1NCc2cnccn2)F 2230a_100000210704_100016995436 [0,2,0,0,0,0|1,0,0]=3 14236 B17R2.3933 Fc1cccc(c1NCc2cnccn2)F 34a_100000210704_100016995436 [0,2,0,0,0,0|1,0,0]=3 14237 B17R2.3933 Fc1cccc(c1NCc2cnccn2)I 34a_100000042321_100016995436 [0,2,0,0,0,0|1,0,0]=3 14238 B17R2.3933 Fc1cccc(c1NCc2cncnc2)Br 34a_100000684712_100015196519 [0,2,0,0,0,0|1,0,0]=3 14239 B17R2.3933 Fc1cccc(c1NCc2cncnc2)Cl 34a_100000760031_100015196519 [0,2,0,0,0,0|1,0,0]=3 14240 B17R2.3933 Fc1cccc(c1NCc2cncnc2)F 2230a_100000210704_100015196519 [0,2,0,0,0,0|1,0,0]=3 14241 B17R2.3933 Fc1cccc(c1NCc2cncnc2)F 34a_100000210704_100015196519 [0,2,0,0,0,0|1,0,0]=3 14242 B17R2.3933 Fc1cccc(c1NCc2cncnc2)I 34a_100000042321_100015196519 [0,2,0,0,0,0|1,0,0]=3 14243 B17R2.3933 Fc1cccc(c1OCc2ccccc2)Br 34a_100009813666_100015291786 [0,2,0,0,0,0|2,0,0]=4 14244 B17R2.3933 Fc1cccc(c1OCc2ccccc2)Br 7a_100009813666_100000211182 [0,2,0,0,0,0|2,0,0]=4 14245 B17R2.3933 Fc1cccc(c1OCc2ccccc2)Cl 34a_100000694953_100015291786 [0,2,0,0,0,0|2,0,0]=4 14246 B17R2.3933 Fc1cccc(c1OCc2ccccc2)Cl 7a_100000694953_100000211182 [0,2,0,0,0,0|2,0,0]=4 14247 B17R2.3933 Fc1cccc(c1OCc2ccccc2)F 34a_100000230165_100015291786 [0,2,0,0,0,0|2,0,0]=4 14248 B17R2.3933 Fc1cccc(c1OCc2ccccc2)F 7a_100000230165_100000211182 [0,2,0,0,0,0|2,0,0]=4 14249 B17R2.3933 Fc1cccc(c1OCc2ccccc2)I 34a_100010186298_100015291786 [0,2,0,0,0,0|2,0,0]=4 14250 B17R2.3933 Fc1cccc(c1OCc2ccccc2)I 7a_100010186298_100000211182 [0,2,0,0,0,0|2,0,0]=4 14251 B17R2.3933 Fc1cccc(c1OCc2cccnc2)Br 34a_100009813666_100000733263 [0,2,0,0,0,0|1,0,0]=3 14252 B17R2.3933 Fc1cccc(c1OCc2cccnc2)Br 7a_100009813666_100000741622 [0,2,0,0,0,0|1,0,0]=3 14253 B17R2.3933 Fc1cccc(c1OCc2cccnc2)Cl 34a_100000694953_100000733263 [0,2,0,0,0,0|1,0,0]=3 14254 B17R2.3933 Fc1cccc(c1OCc2cccnc2)Cl 7a_100000694953_100000741622 [0,2,0,0,0,0|1,0,0]=3 14255 B17R2.3933 Fc1cccc(c1OCc2cccnc2)F 34a_100000230165_100000733263 [0,2,0,0,0,0|1,0,0]=3 14256 B17R2.3933 Fc1cccc(c1OCc2cccnc2)F 7a_100000230165_100000741622 [0,2,0,0,0,0|1,0,0]=3 14257 B17R2.3933 Fc1cccc(c1OCc2cccnc2)I 34a_100010186298_100000733263 [0,2,0,0,0,0|1,0,0]=3 14258 B17R2.3933 Fc1cccc(c1OCc2cccnc2)I 7a_100010186298_100000741622 [0,2,0,0,0,0|1,0,0]=3 14259 B17R2.3933 Fc1cccc(c1OCc2cccnn2)Br 34a_100009813666_100016990269 [0,2,0,0,0,0|2,0,0]=4 14260 B17R2.3933 Fc1cccc(c1OCc2cccnn2)Br 7a_100009813666_100016990269 [0,2,0,0,0,0|2,0,0]=4 14261 B17R2.3933 Fc1cccc(c1OCc2cccnn2)Cl 34a_100000694953_100016990269 [0,2,0,0,0,0|2,0,0]=4 14262 B17R2.3933 Fc1cccc(c1OCc2cccnn2)Cl 7a_100000694953_100016990269 [0,2,0,0,0,0|2,0,0]=4 14263 B17R2.3933 Fc1cccc(c1OCc2cccnn2)F 34a_100000230165_100016990269 [0,2,0,0,0,0|2,0,0]=4 14264 B17R2.3933 Fc1cccc(c1OCc2cccnn2)F 7a_100000230165_100016990269 [0,2,0,0,0,0|2,0,0]=4 14265 B17R2.3933 Fc1cccc(c1OCc2cccnn2)I 34a_100010186298_100016990269 [0,2,0,0,0,0|2,0,0]=4 14266 B17R2.3933 Fc1cccc(c1OCc2cccnn2)I 7a_100010186298_100016990269 [0,2,0,0,0,0|2,0,0]=4 14267 B17R2.3933 Fc1cccc(c1OCc2cnccn2)Br 34a_100009813666_100016995436 [0,2,0,0,0,0|2,0,0]=4 14268 B17R2.3933 Fc1cccc(c1OCc2cnccn2)Br 7a_100009813666_100016995436 [0,2,0,0,0,0|2,0,0]=4 14269 B17R2.3933 Fc1cccc(c1OCc2cnccn2)Cl 34a_100000694953_100016995436 [0,2,0,0,0,0|2,0,0]=4 14270 B17R2.3933 Fc1cccc(c1OCc2cnccn2)Cl 7a_100000694953_100016995436 [0,2,0,0,0,0|2,0,0]=4 14271 B17R2.3933 Fc1cccc(c1OCc2cnccn2)F 34a_100000230165_100016995436 [0,2,0,0,0,0|2,0,0]=4 14272 B17R2.3933 Fc1cccc(c1OCc2cnccn2)F 7a_100000230165_100016995436 [0,2,0,0,0,0|2,0,0]=4 14273 B17R2.3933 Fc1cccc(c1OCc2cnccn2)I 34a_100010186298_100016995436 [0,2,0,0,0,0|2,0,0]=4 14274 B17R2.3933 Fc1cccc(c1OCc2cnccn2)I 7a_100010186298_100016995436 [0,2,0,0,0,0|2,0,0]=4 14275 B17R2.3933 Fc1cccc(c1OCc2cncnc2)Br 34a_100009813666_100015196519 [0,2,0,0,0,0|2,0,0]=4 14276 B17R2.3933 Fc1cccc(c1OCc2cncnc2)Br 7a_100009813666_100015196519 [0,2,0,0,0,0|2,0,0]=4 14277 B17R2.3933 Fc1cccc(c1OCc2cncnc2)Cl 34a_100000694953_100015196519 [0,2,0,0,0,0|2,0,0]=4 14278 B17R2.3933 Fc1cccc(c1OCc2cncnc2)Cl 7a_100000694953_100015196519 [0,2,0,0,0,0|2,0,0]=4 14279 B17R2.3933 Fc1cccc(c1OCc2cncnc2)F 34a_100000230165_100015196519 [0,2,0,0,0,0|2,0,0]=4 14280 B17R2.3933 Fc1cccc(c1OCc2cncnc2)F 7a_100000230165_100015196519 [0,2,0,0,0,0|2,0,0]=4 14281 B17R2.3933 Fc1cccc(c1OCc2cncnc2)I 34a_100010186298_100015196519 [0,2,0,0,0,0|2,0,0]=4 14282 B17R2.3933 Fc1cccc(c1OCc2cncnc2)I 7a_100010186298_100015196519 [0,2,0,0,0,0|2,0,0]=4 14283 B17R2.3933 Fc1cccc(c1SCc2ccccc2)Br 62a_100000211182_100011219512 [0,2,0,0,0,0|2,0,0]=4 14284 B17R2.3933 Fc1cccc(c1SCc2ccccc2)Br 62a_100011219512_100015291786 [0,2,0,0,0,0|2,0,0]=4 14285 B17R2.3933 Fc1cccc(c1SCc2ccccc2)Cl 62a_100000050007_100015291786 [0,2,0,0,0,0|2,0,0]=4 14286 B17R2.3933 Fc1cccc(c1SCc2ccccc2)Cl 62a_100000211182_100000050007 [0,2,0,0,0,0|2,0,0]=4 14287 B17R2.3933 Fc1cccc(c1SCc2ccccc2)F 62a_100000211182_100000693133 [0,2,0,0,0,0|2,0,0]=4 14288 B17R2.3933 Fc1cccc(c1SCc2ccccc2)F 62a_100000693133_100015291786 [0,2,0,0,0,0|2,0,0]=4 14289 B17R2.3933 Fc1cccc(c1SCc2cccnc2)Br 62a_100000741622_100011219512 [0,2,0,0,0,0|1,0,0]=3 14290 B17R2.3933 Fc1cccc(c1SCc2cccnc2)Br 62a_100011219512_100000741622 [0,2,0,0,0,0|1,0,0]=3 14291 B17R2.3933 Fc1cccc(c1SCc2cccnc2)Cl 62a_100000050007_100000741622 [0,2,0,0,0,0|1,0,0]=3 14292 B17R2.3933 Fc1cccc(c1SCc2cccnc2)Cl 62a_100000741622_100000050007 [0,2,0,0,0,0|1,0,0]=3 14293 B17R2.3933 Fc1cccc(c1SCc2cccnc2)F 62a_100000693133_100000741622 [0,2,0,0,0,0|1,0,0]=3 14294 B17R2.3933 Fc1cccc(c1SCc2cccnc2)F 62a_100000741622_100000693133 [0,2,0,0,0,0|1,0,0]=3 14295 B17R2.3933 Fc1cccc(c1SCc2cccnn2)Br 62a_100011219512_100016990269 [0,2,0,0,0,0|2,0,0]=4 14296 B17R2.3933 Fc1cccc(c1SCc2cccnn2)Br 62a_100016990269_100011219512 [0,2,0,0,0,0|2,0,0]=4 14297 B17R2.3933 Fc1cccc(c1SCc2cccnn2)Cl 62a_100000050007_100016990269 [0,2,0,0,0,0|2,0,0]=4 14298 B17R2.3933 Fc1cccc(c1SCc2cccnn2)Cl 62a_100016990269_100000050007 [0,2,0,0,0,0|2,0,0]=4 14299 B17R2.3933 Fc1cccc(c1SCc2cccnn2)F 62a_100000693133_100016990269 [0,2,0,0,0,0|2,0,0]=4 14300 B17R2.3933 Fc1cccc(c1SCc2cccnn2)F 62a_100016990269_100000693133 [0,2,0,0,0,0|2,0,0]=4 14301 B17R2.3933 Fc1cccc(c1SCc2cnccn2)Br 62a_100011219512_100016995436 [0,2,0,0,0,0|2,0,0]=4 14302 B17R2.3933 Fc1cccc(c1SCc2cnccn2)Br 62a_100016995436_100011219512 [0,2,0,0,0,0|2,0,0]=4 14303 B17R2.3933 Fc1cccc(c1SCc2cnccn2)Cl 62a_100000050007_100016995436 [0,2,0,0,0,0|2,0,0]=4 14304 B17R2.3933 Fc1cccc(c1SCc2cnccn2)Cl 62a_100016995436_100000050007 [0,2,0,0,0,0|2,0,0]=4 14305 B17R2.3933 Fc1cccc(c1SCc2cnccn2)F 62a_100000693133_100016995436 [0,2,0,0,0,0|2,0,0]=4 14306 B17R2.3933 Fc1cccc(c1SCc2cnccn2)F 62a_100016995436_100000693133 [0,2,0,0,0,0|2,0,0]=4 14307 B17R2.3933 Fc1cccc(c1SCc2cncnc2)Br 62a_100011219512_100015196519 [0,2,0,0,0,0|2,0,0]=4 14308 B17R2.3933 Fc1cccc(c1SCc2cncnc2)Br 62a_100015196519_100011219512 [0,2,0,0,0,0|2,0,0]=4 14309 B17R2.3933 Fc1cccc(c1SCc2cncnc2)Cl 62a_100000050007_100015196519 [0,2,0,0,0,0|2,0,0]=4 14310 B17R2.3933 Fc1cccc(c1SCc2cncnc2)Cl 62a_100015196519_100000050007 [0,2,0,0,0,0|2,0,0]=4 14311 B17R2.3933 Fc1cccc(c1SCc2cncnc2)F 62a_100000693133_100015196519 [0,2,0,0,0,0|2,0,0]=4 14312 B17R2.3933 Fc1cccc(c1SCc2cncnc2)F 62a_100015196519_100000693133 [0,2,0,0,0,0|2,0,0]=4 14313 B17R2.3933 Fc1ccnc(c1C#Cc2ccccc2)F 271570a_100000069678_100009874084 [0,2,0,0,0,0|1,0,1]=4 14314 B17R2.3933 Fc1ccnc(c1C=Cc2ccccc2)F 271570a_100102527694_100009874084 [0,2,0,0,0,0|1,0,1]=4 14315 B17R2.3933 Fc1ccnc(c1NCc2ccccc2)F 27a_100015324214_100009874084 [0,2,0,0,0,0|2,0,0]=4 14316 B17R2.3933 Fc1ccnc(c1NCc2cccnc2)F 27a_100000210453_100009874084 [0,2,0,0,0,0|1,0,0]=3 14317 B17R2.3933 Fc1ccnc(c1NCc2cccnn2)F 27a_100159270163_100009874084 [0,2,0,0,0,0|2,0,0]=4 14318 B17R2.3933 Fc1ccnc(c1NCc2cnccn2)F 27a_100000737960_100009874084 [0,2,0,0,0,0|2,0,0]=4 14319 B17R2.3933 Fc1ccnc(c1NCc2cncnc2)F 27a_100011243677_100009874084 [0,2,0,0,0,0|2,0,0]=4 14320 B17R2.3933 Fc1ccnc(c1OCc2ccccc2)Cl 34a_100009867227_100015291786 [0,2,0,0,0,0|2,0,0]=4 14321 B17R2.3933 Fc1ccnc(c1OCc2ccccc2)Cl 7a_100009867227_100000211182 [0,2,0,0,0,0|2,0,0]=4 14322 B17R2.3933 Fc1ccnc(c1OCc2cccnc2)Cl 34a_100009867227_100000733263 [0,2,0,0,0,0|2,0,0]=4 14323 B17R2.3933 Fc1ccnc(c1OCc2cccnc2)Cl 7a_100009867227_100000741622 [0,2,0,0,0,0|2,0,0]=4 14324 B17R2.3933 Fc1ccnc(c1SCc2ccccc2)Cl 62a_100000211182_100000716511 [0,2,0,0,0,0|2,0,0]=4 14325 B17R2.3933 Fc1ccnc(c1SCc2ccccc2)Cl 62a_100000716511_100015291786 [0,2,0,0,0,0|2,0,0]=4 14326 B17R2.3933 Fc1ccnc(c1SCc2ccccc2)F 62a_100000211182_100009874084 [0,2,0,0,0,0|2,0,0]=4 14327 B17R2.3933 Fc1ccnc(c1SCc2ccccc2)F 62a_100009874084_100015291786 [0,2,0,0,0,0|2,0,0]=4 14328 B17R2.3933 Fc1ccnc(c1SCc2cccnc2)Cl 62a_100000716511_100000741622 [0,2,0,0,0,0|2,0,0]=4 14329 B17R2.3933 Fc1ccnc(c1SCc2cccnc2)Cl 62a_100000741622_100000716511 [0,2,0,0,0,0|2,0,0]=4 14330 B17R2.3933 Fc1ccnc(c1SCc2cccnc2)F 62a_100000741622_100009874084 [0,2,0,0,0,0|2,0,0]=4 14331 B17R2.3933 Fc1ccnc(c1SCc2cccnc2)F 62a_100009874084_100000741622 [0,2,0,0,0,0|2,0,0]=4 14332 B17R2.3933 Fc1cncc(c1CNc2ccccc2)Br 207a_100000106764_100010064882 [0,2,0,0,0,0|2,0,0]=4 14333 B17R2.3933 Fc1cncc(c1CNc2ccccc2)F 207a_100000106764_100000068831 [0,2,0,0,0,0|2,0,0]=4 14334 B17R2.3933 Fc1cncc(c1SCc2cccnc2)F 62a_100000741622_100000760538 [0,2,0,0,0,0|2,0,0]=4 14335 B17R2.3933 Fc1cncc(c1SCc2cccnc2)F 62a_100000760538_100000741622 [0,2,0,0,0,0|2,0,0]=4 14336 B17R2.3933 Nc1cccc(c1C=Cc2cccnc2)Br 271570a_100102525586_100020590159 [0,2,0,0,0,0|1,0,1]=4 14337 B17R2.3933 Nc1cccc(c1C=Cc2cccnc2)Cl 271570a_100102525586_100000049713 [0,2,0,0,0,0|1,0,1]=4 14338 B17R2.3933 Nc1cccc(c1C=Cc2cccnc2)F 271570a_100102525586_100011934729 [0,2,0,0,0,0|1,0,1]=4 14339 B17R2.3933 Nc1cccc(c1C=Cc2cccnc2)O 271570a_100102525586_100012183704 [0,2,0,0,0,0|1,0,1]=4 14340 B17R2.3933 Nc1cccc(c1OCc2ccccc2)Br 34a_100011934915_100015291786 [0,2,0,0,0,0|2,0,0]=4 14341 B17R2.3933 Nc1cccc(c1OCc2ccccc2)Cl 34a_100000754742_100015291786 [0,2,0,0,0,0|2,0,0]=4 14342 B17R2.3933 Nc1cccc(c1OCc2ccccc2)F 34a_100011934987_100015291786 [0,2,0,0,0,0|2,0,0]=4 14343 B17R2.3933 Nc1cccc(c1OCc2ccccc2)I 34a_100010084371_100015291786 [0,2,0,0,0,0|2,0,0]=4 14344 B17R2.3933 Nc1cccc(c1OCc2ccccc2)N 34a_200016994477_100015291786 [0,2,0,0,0,0|2,0,0]=4 14345 B17R2.3933 Nc1cccc(c1OCc2cccnc2)Br 34a_100011934915_100000733263 [0,2,0,0,0,0|1,0,0]=3 14346 B17R2.3933 Nc1cccc(c1OCc2cccnc2)Cl 34a_100000754742_100000733263 [0,2,0,0,0,0|1,0,0]=3 14347 B17R2.3933 Nc1cccc(c1OCc2cccnc2)F 34a_100011934987_100000733263 [0,2,0,0,0,0|1,0,0]=3 14348 B17R2.3933 Nc1cccc(c1OCc2cccnc2)I 34a_100010084371_100000733263 [0,2,0,0,0,0|1,0,0]=3 14349 B17R2.3933 Nc1cccc(c1OCc2cccnc2)N 34a_200016994477_100000733263 [0,2,0,0,0,0|1,0,0]=3 14350 B17R2.3933 Nc1cccc(c1OCc2cccnn2)Br 34a_100011934915_100016990269 [0,2,0,0,0,0|2,0,0]=4 14351 B17R2.3933 Nc1cccc(c1OCc2cccnn2)Cl 34a_100000754742_100016990269 [0,2,0,0,0,0|2,0,0]=4 14352 B17R2.3933 Nc1cccc(c1OCc2cccnn2)F 34a_100011934987_100016990269 [0,2,0,0,0,0|2,0,0]=4 14353 B17R2.3933 Nc1cccc(c1OCc2cccnn2)I 34a_100010084371_100016990269 [0,2,0,0,0,0|2,0,0]=4 14354 B17R2.3933 Nc1cccc(c1OCc2cccnn2)N 34a_200016994477_100016990269 [0,2,0,0,0,0|2,0,0]=4 14355 B17R2.3933 Nc1cccc(c1OCc2cnccn2)Br 34a_100011934915_100016995436 [0,2,0,0,0,0|2,0,0]=4 14356 B17R2.3933 Nc1cccc(c1OCc2cnccn2)Cl 34a_100000754742_100016995436 [0,2,0,0,0,0|2,0,0]=4 14357 B17R2.3933 Nc1cccc(c1OCc2cnccn2)F 34a_100011934987_100016995436 [0,2,0,0,0,0|2,0,0]=4 14358 B17R2.3933 Nc1cccc(c1OCc2cnccn2)I 34a_100010084371_100016995436 [0,2,0,0,0,0|2,0,0]=4 14359 B17R2.3933 Nc1cccc(c1OCc2cnccn2)N 34a_200016994477_100016995436 [0,2,0,0,0,0|2,0,0]=4 14360 B17R2.3933 Nc1cccc(c1OCc2cncnc2)Br 34a_100011934915_100015196519 [0,2,0,0,0,0|2,0,0]=4 14361 B17R2.3933 Nc1cccc(c1OCc2cncnc2)Cl 34a_100000754742_100015196519 [0,2,0,0,0,0|2,0,0]=4 14362 B17R2.3933 Nc1cccc(c1OCc2cncnc2)F 34a_100011934987_100015196519 [0,2,0,0,0,0|2,0,0]=4 14363 B17R2.3933 Nc1cccc(c1OCc2cncnc2)I 34a_100010084371_100015196519 [0,2,0,0,0,0|2,0,0]=4 14364 B17R2.3933 Nc1cccc(c1OCc2cncnc2)N 34a_200016994477_100015196519 [0,2,0,0,0,0|2,0,0]=4 14365 B17R2.3933 Nc1cccc(c1SCc2ccccc2)Br 62a_100000211182_100020590159 [0,2,0,0,0,0|2,0,0]=4 14366 B17R2.3933 Nc1cccc(c1SCc2ccccc2)Br 62a_100020590159_100015291786 [0,2,0,0,0,0|2,0,0]=4 14367 B17R2.3933 Nc1cccc(c1SCc2ccccc2)Cl 62a_100000049713_100015291786 [0,2,0,0,0,0|2,0,0]=4 14368 B17R2.3933 Nc1cccc(c1SCc2ccccc2)Cl 62a_100000211182_100000049713 [0,2,0,0,0,0|2,0,0]=4 14369 B17R2.3933 Nc1cccc(c1SCc2ccccc2)F 62a_100000211182_100000690935 [0,2,0,0,0,0|2,0,0]=4 14370 B17R2.3933 Nc1cccc(c1SCc2ccccc2)F 62a_100000690935_100015291786 [0,2,0,0,0,0|2,0,0]=4 14371 B17R2.3933 Nc1cccc(c1SCc2ccccc2)O 62a_100000211182_100012183704 [0,2,0,0,0,0|2,0,0]=4 14372 B17R2.3933 Nc1cccc(c1SCc2ccccc2)O 62a_100012183704_100015291786 [0,2,0,0,0,0|2,0,0]=4 14373 B17R2.3933 Nc1cccc(c1SCc2cccnc2)Br 62a_100000741622_100020590159 [0,2,0,0,0,0|1,0,0]=3 14374 B17R2.3933 Nc1cccc(c1SCc2cccnc2)Br 62a_100020590159_100000741622 [0,2,0,0,0,0|1,0,0]=3 14375 B17R2.3933 Nc1cccc(c1SCc2cccnc2)Cl 62a_100000049713_100000741622 [0,2,0,0,0,0|1,0,0]=3 14376 B17R2.3933 Nc1cccc(c1SCc2cccnc2)Cl 62a_100000741622_100000049713 [0,2,0,0,0,0|1,0,0]=3 14377 B17R2.3933 Nc1cccc(c1SCc2cccnc2)F 62a_100000690935_100000741622 [0,2,0,0,0,0|1,0,0]=3 14378 B17R2.3933 Nc1cccc(c1SCc2cccnc2)F 62a_100000741622_100000690935 [0,2,0,0,0,0|1,0,0]=3 14379 B17R2.3933 Nc1cccc(c1SCc2cccnc2)O 62a_100000741622_100012183704 [0,2,0,0,0,0|1,0,0]=3 14380 B17R2.3933 Nc1cccc(c1SCc2cccnc2)O 62a_100012183704_100000741622 [0,2,0,0,0,0|1,0,0]=3 14381 B17R2.3933 Nc1cccc(c1SCc2cccnn2)Br 62a_100016990269_100020590159 [0,2,0,0,0,0|2,0,0]=4 14382 B17R2.3933 Nc1cccc(c1SCc2cccnn2)Br 62a_100020590159_100016990269 [0,2,0,0,0,0|2,0,0]=4 14383 B17R2.3933 Nc1cccc(c1SCc2cccnn2)Cl 62a_100000049713_100016990269 [0,2,0,0,0,0|2,0,0]=4 14384 B17R2.3933 Nc1cccc(c1SCc2cccnn2)Cl 62a_100016990269_100000049713 [0,2,0,0,0,0|2,0,0]=4 14385 B17R2.3933 Nc1cccc(c1SCc2cccnn2)F 62a_100000690935_100016990269 [0,2,0,0,0,0|2,0,0]=4 14386 B17R2.3933 Nc1cccc(c1SCc2cccnn2)F 62a_100016990269_100000690935 [0,2,0,0,0,0|2,0,0]=4 14387 B17R2.3933 Nc1cccc(c1SCc2cccnn2)O 62a_100012183704_100016990269 [0,2,0,0,0,0|2,0,0]=4 14388 B17R2.3933 Nc1cccc(c1SCc2cccnn2)O 62a_100016990269_100012183704 [0,2,0,0,0,0|2,0,0]=4 14389 B17R2.3933 Nc1cccc(c1SCc2cnccn2)Br 62a_100016995436_100020590159 [0,2,0,0,0,0|2,0,0]=4 14390 B17R2.3933 Nc1cccc(c1SCc2cnccn2)Br 62a_100020590159_100016995436 [0,2,0,0,0,0|2,0,0]=4 14391 B17R2.3933 Nc1cccc(c1SCc2cnccn2)Cl 62a_100000049713_100016995436 [0,2,0,0,0,0|2,0,0]=4 14392 B17R2.3933 Nc1cccc(c1SCc2cnccn2)Cl 62a_100016995436_100000049713 [0,2,0,0,0,0|2,0,0]=4 14393 B17R2.3933 Nc1cccc(c1SCc2cnccn2)F 62a_100000690935_100016995436 [0,2,0,0,0,0|2,0,0]=4 14394 B17R2.3933 Nc1cccc(c1SCc2cnccn2)F 62a_100016995436_100000690935 [0,2,0,0,0,0|2,0,0]=4 14395 B17R2.3933 Nc1cccc(c1SCc2cnccn2)O 62a_100012183704_100016995436 [0,2,0,0,0,0|2,0,0]=4 14396 B17R2.3933 Nc1cccc(c1SCc2cnccn2)O 62a_100016995436_100012183704 [0,2,0,0,0,0|2,0,0]=4 14397 B17R2.3933 Nc1cccc(c1SCc2cncnc2)Br 62a_100015196519_100020590159 [0,2,0,0,0,0|2,0,0]=4 14398 B17R2.3933 Nc1cccc(c1SCc2cncnc2)Br 62a_100020590159_100015196519 [0,2,0,0,0,0|2,0,0]=4 14399 B17R2.3933 Nc1cccc(c1SCc2cncnc2)Cl 62a_100000049713_100015196519 [0,2,0,0,0,0|2,0,0]=4 14400 B17R2.3933 Nc1cccc(c1SCc2cncnc2)Cl 62a_100015196519_100000049713 [0,2,0,0,0,0|2,0,0]=4 14401 B17R2.3933 Nc1cccc(c1SCc2cncnc2)F 62a_100000690935_100015196519 [0,2,0,0,0,0|2,0,0]=4 14402 B17R2.3933 Nc1cccc(c1SCc2cncnc2)F 62a_100015196519_100000690935 [0,2,0,0,0,0|2,0,0]=4 14403 B17R2.3933 Nc1cccc(c1SCc2cncnc2)O 62a_100012183704_100015196519 [0,2,0,0,0,0|2,0,0]=4 14404 B17R2.3933 Nc1cccc(c1SCc2cncnc2)O 62a_100015196519_100012183704 [0,2,0,0,0,0|2,0,0]=4 14405 B17R2.3933 Nc1ccnc(c1C#Cc2ccccc2)F 271570a_100000069678_100010381272 [0,2,0,0,0,0|1,0,1]=4 14406 B17R2.3933 Nc1ccnc(c1C=Cc2ccccc2)F 271570a_100102527694_100010381272 [0,2,0,0,0,0|1,0,1]=4 14407 B17R2.3933 Nc1ccnc(c1OCc2ccccc2)Cl 34a_100009844647_100015291786 [0,2,0,0,0,0|2,0,0]=4 14408 B17R2.3933 Nc1ccnc(c1OCc2ccccc2)Cl 7a_100009844647_100000211182 [0,2,0,0,0,0|2,0,0]=4 14409 B17R2.3933 Nc1ccnc(c1OCc2cccnc2)Cl 34a_100009844647_100000733263 [0,2,0,0,0,0|2,0,0]=4 14410 B17R2.3933 Nc1ccnc(c1OCc2cccnc2)Cl 7a_100009844647_100000741622 [0,2,0,0,0,0|2,0,0]=4 14411 B17R2.3933 Nc1ccnc(c1SCc2ccccc2)Cl 62a_100000211182_100010208016 [0,2,0,0,0,0|2,0,0]=4 14412 B17R2.3933 Nc1ccnc(c1SCc2ccccc2)Cl 62a_100010208016_100015291786 [0,2,0,0,0,0|2,0,0]=4 14413 B17R2.3933 Nc1ccnc(c1SCc2ccccc2)F 62a_100000211182_100010381272 [0,2,0,0,0,0|2,0,0]=4 14414 B17R2.3933 Nc1ccnc(c1SCc2ccccc2)F 62a_100010381272_100015291786 [0,2,0,0,0,0|2,0,0]=4 14415 B17R2.3933 Nc1ccnc(c1SCc2cccnc2)Cl 62a_100000741622_100010208016 [0,2,0,0,0,0|2,0,0]=4 14416 B17R2.3933 Nc1ccnc(c1SCc2cccnc2)Cl 62a_100010208016_100000741622 [0,2,0,0,0,0|2,0,0]=4 14417 B17R2.3933 Nc1ccnc(c1SCc2cccnc2)F 62a_100000741622_100010381272 [0,2,0,0,0,0|2,0,0]=4 14418 B17R2.3933 Nc1ccnc(c1SCc2cccnc2)F 62a_100010381272_100000741622 [0,2,0,0,0,0|2,0,0]=4 14419 B17R2.3933 Nc1nccc(c1C#Cc2ccccc2)Cl 271570a_100000069678_100010199028 [0,2,0,0,0,0|1,0,1]=4 14420 B17R2.3933 Nc1nccc(c1C=Cc2ccccc2)Cl 271570a_100102527694_100010199028 [0,2,0,0,0,0|1,0,1]=4 14421 B17R2.3933 Nc1nccc(c1SCc2ccccc2)Cl 62a_100000211182_100010199028 [0,2,0,0,0,0|2,0,0]=4 14422 B17R2.3933 Nc1nccc(c1SCc2ccccc2)Cl 62a_100010199028_100015291786 [0,2,0,0,0,0|2,0,0]=4 14423 B17R2.3933 Nc1nccc(c1SCc2cccnc2)Cl 62a_100000741622_100010199028 [0,2,0,0,0,0|2,0,0]=4 14424 B17R2.3933 Nc1nccc(c1SCc2cccnc2)Cl 62a_100010199028_100000741622 [0,2,0,0,0,0|2,0,0]=4 14425 B17R2.3933 Oc1cccc(c1C=Cc2cccnc2)Br 271570a_100102525586_100010187912 [0,2,0,0,0,0|1,0,1]=4 14426 B17R2.3933 Oc1cccc(c1C=Cc2cccnc2)Cl 271570a_100102525586_100000050174 [0,2,0,0,0,0|1,0,1]=4 14427 B17R2.3933 Oc1cccc(c1C=Cc2cccnc2)F 271570a_100102525586_100009820682 [0,2,0,0,0,0|1,0,1]=4 14428 B17R2.3933 Oc1cccc(c1C=Cc2cccnc2)O 271570a_100102525586_100010205330 [0,2,0,0,0,0|1,0,1]=4 14429 B17R2.3933 Oc1cccc(c1CNc2ccccc2)Cl 270302a_100000106764_100000741911 [0,2,0,0,0,0|1,0,0]=3 14430 B17R2.3933 Oc1cccc(c1CNc2ccccc2)F 270302a_100000106764_100011217653 [0,2,0,0,0,0|1,0,0]=3 14431 B17R2.3933 Oc1cccc(c1NCc2ccccc2)Br 34a_100011934926_100015291786 [0,2,0,0,0,0|1,0,0]=3 14432 B17R2.3933 Oc1cccc(c1NCc2ccccc2)Cl 34a_100012022510_100015291786 [0,2,0,0,0,0|1,0,0]=3 14433 B17R2.3933 Oc1cccc(c1NCc2ccccc2)F 34a_100020591140_100015291786 [0,2,0,0,0,0|1,0,0]=3 14434 B17R2.3933 Oc1cccc(c1NCc2ccccn2)Br 34a_100011934926_100000721315 [0,2,0,0,0,0|2,0,0]=4 14435 B17R2.3933 Oc1cccc(c1NCc2ccccn2)Cl 34a_100012022510_100000721315 [0,2,0,0,0,0|2,0,0]=4 14436 B17R2.3933 Oc1cccc(c1NCc2ccccn2)F 34a_100020591140_100000721315 [0,2,0,0,0,0|2,0,0]=4 14437 B17R2.3933 Oc1cccc(c1NCc2cccnc2)Br 34a_100011934926_100000733263 [0,2,0,0,0,0|0,0,0]=2 14438 B17R2.3933 Oc1cccc(c1NCc2cccnc2)Cl 34a_100012022510_100000733263 [0,2,0,0,0,0|0,0,0]=2 14439 B17R2.3933 Oc1cccc(c1NCc2cccnc2)F 34a_100020591140_100000733263 [0,2,0,0,0,0|0,0,0]=2 14440 B17R2.3933 Oc1cccc(c1NCc2cccnn2)Br 34a_100011934926_100016990269 [0,2,0,0,0,0|1,0,0]=3 14441 B17R2.3933 Oc1cccc(c1NCc2cccnn2)Cl 34a_100012022510_100016990269 [0,2,0,0,0,0|1,0,0]=3 14442 B17R2.3933 Oc1cccc(c1NCc2cccnn2)F 34a_100020591140_100016990269 [0,2,0,0,0,0|1,0,0]=3 14443 B17R2.3933 Oc1cccc(c1NCc2cnccn2)Br 34a_100011934926_100016995436 [0,2,0,0,0,0|1,0,0]=3 14444 B17R2.3933 Oc1cccc(c1NCc2cnccn2)Cl 34a_100012022510_100016995436 [0,2,0,0,0,0|1,0,0]=3 14445 B17R2.3933 Oc1cccc(c1NCc2cnccn2)F 34a_100020591140_100016995436 [0,2,0,0,0,0|1,0,0]=3 14446 B17R2.3933 Oc1cccc(c1NCc2cncnc2)Br 34a_100011934926_100015196519 [0,2,0,0,0,0|1,0,0]=3 14447 B17R2.3933 Oc1cccc(c1NCc2cncnc2)Cl 34a_100012022510_100015196519 [0,2,0,0,0,0|1,0,0]=3 14448 B17R2.3933 Oc1cccc(c1NCc2cncnc2)F 34a_100020591140_100015196519 [0,2,0,0,0,0|1,0,0]=3 14449 B17R2.3933 Oc1cccc(c1SCc2ccccc2)Br 62a_100000211182_100010187912 [0,2,0,0,0,0|2,0,0]=4 14450 B17R2.3933 Oc1cccc(c1SCc2ccccc2)Br 62a_100010187912_100015291786 [0,2,0,0,0,0|2,0,0]=4 14451 B17R2.3933 Oc1cccc(c1SCc2ccccc2)Cl 62a_100000211182_100000050174 [0,2,0,0,0,0|2,0,0]=4 14452 B17R2.3933 Oc1cccc(c1SCc2ccccc2)F 62a_100000211182_100009820682 [0,2,0,0,0,0|2,0,0]=4 14453 B17R2.3933 Oc1cccc(c1SCc2ccccc2)F 62a_100009820682_100015291786 [0,2,0,0,0,0|2,0,0]=4 14454 B17R2.3933 Oc1cccc(c1SCc2ccccc2)O 62a_100000211182_100010205330 [0,2,0,0,0,0|2,0,0]=4 14455 B17R2.3933 Oc1cccc(c1SCc2cccnc2)Br 62a_100000741622_100010187912 [0,2,0,0,0,0|1,0,0]=3 14456 B17R2.3933 Oc1cccc(c1SCc2cccnc2)Br 62a_100010187912_100000741622 [0,2,0,0,0,0|1,0,0]=3 14457 B17R2.3933 Oc1cccc(c1SCc2cccnc2)Cl 62a_100000741622_100000050174 [0,2,0,0,0,0|1,0,0]=3 14458 B17R2.3933 Oc1cccc(c1SCc2cccnc2)F 62a_100000741622_100009820682 [0,2,0,0,0,0|1,0,0]=3 14459 B17R2.3933 Oc1cccc(c1SCc2cccnc2)F 62a_100009820682_100000741622 [0,2,0,0,0,0|1,0,0]=3 14460 B17R2.3933 Oc1cccc(c1SCc2cccnc2)O 62a_100000741622_100010205330 [0,2,0,0,0,0|1,0,0]=3 14461 B17R2.3933 Oc1cccc(c1SCc2cccnn2)Br 62a_100010187912_100016990269 [0,2,0,0,0,0|2,0,0]=4 14462 B17R2.3933 Oc1cccc(c1SCc2cccnn2)Br 62a_100016990269_100010187912 [0,2,0,0,0,0|2,0,0]=4 14463 B17R2.3933 Oc1cccc(c1SCc2cccnn2)Cl 62a_100016990269_100000050174 [0,2,0,0,0,0|2,0,0]=4 14464 B17R2.3933 Oc1cccc(c1SCc2cccnn2)F 62a_100009820682_100016990269 [0,2,0,0,0,0|2,0,0]=4 14465 B17R2.3933 Oc1cccc(c1SCc2cccnn2)F 62a_100016990269_100009820682 [0,2,0,0,0,0|2,0,0]=4 14466 B17R2.3933 Oc1cccc(c1SCc2cccnn2)O 62a_100016990269_100010205330 [0,2,0,0,0,0|2,0,0]=4 14467 B17R2.3933 Oc1cccc(c1SCc2cnccn2)Br 62a_100010187912_100016995436 [0,2,0,0,0,0|2,0,0]=4 14468 B17R2.3933 Oc1cccc(c1SCc2cnccn2)Br 62a_100016995436_100010187912 [0,2,0,0,0,0|2,0,0]=4 14469 B17R2.3933 Oc1cccc(c1SCc2cnccn2)Cl 62a_100016995436_100000050174 [0,2,0,0,0,0|2,0,0]=4 14470 B17R2.3933 Oc1cccc(c1SCc2cnccn2)F 62a_100009820682_100016995436 [0,2,0,0,0,0|2,0,0]=4 14471 B17R2.3933 Oc1cccc(c1SCc2cnccn2)F 62a_100016995436_100009820682 [0,2,0,0,0,0|2,0,0]=4 14472 B17R2.3933 Oc1cccc(c1SCc2cnccn2)O 62a_100016995436_100010205330 [0,2,0,0,0,0|2,0,0]=4 14473 B17R2.3933 Oc1cccc(c1SCc2cncnc2)Br 62a_100010187912_100015196519 [0,2,0,0,0,0|2,0,0]=4 14474 B17R2.3933 Oc1cccc(c1SCc2cncnc2)Br 62a_100015196519_100010187912 [0,2,0,0,0,0|2,0,0]=4 14475 B17R2.3933 Oc1cccc(c1SCc2cncnc2)Cl 62a_100015196519_100000050174 [0,2,0,0,0,0|2,0,0]=4 14476 B17R2.3933 Oc1cccc(c1SCc2cncnc2)F 62a_100009820682_100015196519 [0,2,0,0,0,0|2,0,0]=4 14477 B17R2.3933 Oc1cccc(c1SCc2cncnc2)F 62a_100015196519_100009820682 [0,2,0,0,0,0|2,0,0]=4 14478 B17R2.3933 Oc1cccc(c1SCc2cncnc2)O 62a_100015196519_100010205330 [0,2,0,0,0,0|2,0,0]=4 14479 B17R2.3933 Oc1ccnc(c1C#Cc2ccccc2)O 271570a_100000069678_200009817435 [0,2,0,0,0,0|1,0,1]=4 14480 B17R2.3933 Oc1ccnc(c1C=Cc2ccccc2)O 271570a_100102527694_200009817435 [0,2,0,0,0,0|1,0,1]=4 14481 B17R2.3933 Oc1ccnc(c1SCc2ccccc2)O 62a_100000211182_200009817435 [0,2,0,0,0,0|2,0,0]=4 14482 B17R2.3933 Oc1ccnc(c1SCc2cccnc2)O 62a_100000741622_200009817435 [0,2,0,0,0,0|2,0,0]=4 14483 B17R2.5121 Brc1ccccc1CNc2ccccc2Br 207a_100000210017_100000211189 [0,2,0,0,0,0|1,0,0]=3 14484 B17R2.5121 Brc1ccccc1CNc2ccccc2Br 34a_100000210017_100000184730 [0,2,0,0,0,0|1,0,0]=3 14485 B17R2.5121 Brc1ccccc1CNc2ccccc2I 207a_100000210053_100000211189 [0,2,0,0,0,0|1,0,0]=3 14486 B17R2.5121 Brc1ccccc1CNc2ccccc2I 34a_100000210053_100000184730 [0,2,0,0,0,0|1,0,0]=3 14487 B17R2.5121 Brc1ccccc1CNc2ccncc2Br 27a_100000689332_100000726257 [0,2,0,0,0,0|2,0,0]=4 14488 B17R2.5121 Brc1ccccc1CNc2ncccc2Br 27a_100000689332_100000696092 [0,2,0,0,0,0|2,0,0]=4 14489 B17R2.5121 Brc1ccccc1COc2ccccc2Br 34a_100000181306_100000184730 [0,2,0,0,0,0|2,0,0]=4 14490 B17R2.5121 Brc1ccccc1COc2ccccc2Br 7a_100000181306_100000184730 [0,2,0,0,0,0|2,0,0]=4 14491 B17R2.5121 Brc1ccccc1COc2ccccc2I 34a_100000739446_100000184730 [0,2,0,0,0,0|2,0,0]=4 14492 B17R2.5121 Brc1ccccc1COc2ccccc2I 7a_100000739446_100000184730 [0,2,0,0,0,0|2,0,0]=4 14493 B17R2.5121 Brc1ccccc1COc2cccnc2Br 34a_100000744436_100000184730 [0,2,0,0,0,0|2,0,0]=4 14494 B17R2.5121 Brc1ccccc1COc2cccnc2Br 7a_100000744436_100000184730 [0,2,0,0,0,0|2,0,0]=4 14495 B17R2.5121 Brc1ccccc1COc2cccnc2I 34a_100000034122_100000184730 [0,2,0,0,0,0|2,0,0]=4 14496 B17R2.5121 Brc1ccccc1COc2cccnc2I 7a_100000034122_100000184730 [0,2,0,0,0,0|2,0,0]=4 14497 B17R2.5121 Brc1ccccc1COc2cnccc2I 34a_100000050107_100000184730 [0,2,0,0,0,0|2,0,0]=4 14498 B17R2.5121 Brc1ccccc1CSc2ccccc2Br 62a_100000184730_100000695589 [0,2,0,0,0,0|2,0,0]=4 14499 B17R2.5121 Brc1ccccc1CSc2ccccc2Br 62a_100000695589_100000184730 [0,2,0,0,0,0|2,0,0]=4 14500 B17R2.5121 Brc1ccccc1CSc2cccnc2Br 62a_100000184730_100010202626 [0,2,0,0,0,0|2,0,0]=4 14501 B17R2.5121 Brc1ccccc1CSc2cccnc2Br 62a_100010202626_100000184730 [0,2,0,0,0,0|2,0,0]=4 14502 B17R2.5121 Brc1ccccc1CSc2cnccc2Br 62a_100000184730_100010138639 [0,2,0,0,0,0|2,0,0]=4 14503 B17R2.5121 Brc1ccccc1CSc2cnccc2Br 62a_100010138639_100000184730 [0,2,0,0,0,0|2,0,0]=4 14504 B17R2.5121 Brc1ccccc1NCc2ccccc2I 207a_100000210017_100000010305 [0,2,0,0,0,0|1,0,0]=3 14505 B17R2.5121 Brc1ccccc1NCc2ccccc2I 34a_100000210017_100011215278 [0,2,0,0,0,0|1,0,0]=3 14506 B17R2.5121 Brc1ccccc1NCc2cccnc2Br 34a_100000210017_100010140945 [0,2,0,0,0,0|0,0,0]=2 14507 B17R2.5121 Brc1ccccc1NCc2ncccc2Br 207a_100000210017_100011934733 [0,2,0,0,0,0|2,0,0]=4 14508 B17R2.5121 Brc1ccccc1NCc2ncccc2Br 34a_100000210017_100025702911 [0,2,0,0,0,0|2,0,0]=4 14509 B17R2.5121 Brc1ccccc1OCc2ccccc2I 34a_100000181306_100011215278 [0,2,0,0,0,0|2,0,0]=4 14510 B17R2.5121 Brc1ccccc1OCc2ccccc2I 7a_100000181306_100011215278 [0,2,0,0,0,0|2,0,0]=4 14511 B17R2.5121 Brc1ccccc1OCc2cccnc2Br 34a_100000181306_100010140945 [0,2,0,0,0,0|1,0,0]=3 14512 B17R2.5121 Brc1ccccc1OCc2cccnc2Br 7a_100000181306_100010140945 [0,2,0,0,0,0|1,0,0]=3 14513 B17R2.5121 Brc1ccccc1SCc2ccccc2I 62a_100000695589_100011216222 [0,2,0,0,0,0|2,0,0]=4 14514 B17R2.5121 Brc1ccccc1SCc2ccccc2I 62a_100011216222_100000695589 [0,2,0,0,0,0|2,0,0]=4 14515 B17R2.5121 Brc1ccccc1SCc2cccnc2Br 62a_100000695589_100010140945 [0,2,0,0,0,0|1,0,0]=3 14516 B17R2.5121 Brc1ccccc1SCc2cccnc2Br 62a_100010140945_100000695589 [0,2,0,0,0,0|1,0,0]=3 14517 B17R2.5121 Brc1cccnc1CNc2ccccc2I 207a_100000210053_100011934733 [0,2,0,0,0,0|2,0,0]=4 14518 B17R2.5121 Brc1cccnc1CNc2ccccc2I 34a_100000210053_100025702911 [0,2,0,0,0,0|2,0,0]=4 14519 B17R2.5121 Brc1cccnc1NCc2ccccc2I 27a_100015347259_100000696092 [0,2,0,0,0,0|2,0,0]=4 14520 B17R2.5121 Brc1cccnc1NCc2cccnc2Br 27a_100009818023_100000696092 [0,2,0,0,0,0|1,0,0]=3 14521 B17R2.5121 Brc1cccnc1SCc2cccnc2Br 62a_100000696092_100010140945 [0,2,0,0,0,0|2,0,0]=4 14522 B17R2.5121 Brc1cccnc1SCc2cccnc2Br 62a_100010140945_100000696092 [0,2,0,0,0,0|2,0,0]=4 14523 B17R2.5121 Brc1ccncc1SCc2ccccc2I 62a_100010138639_100011216222 [0,2,0,0,0,0|2,0,0]=4 14524 B17R2.5121 Brc1ccncc1SCc2ccccc2I 62a_100011216222_100010138639 [0,2,0,0,0,0|2,0,0]=4 14525 B17R2.5121 Brc1ccncc1SCc2cccnc2Br 62a_100010138639_100010140945 [0,2,0,0,0,0|2,0,0]=4 14526 B17R2.5121 Brc1ccncc1SCc2cccnc2Br 62a_100010140945_100010138639 [0,2,0,0,0,0|2,0,0]=4 14527 B17R2.5121 Brc1cnccc1NCc2ccccc2I 27a_100015347259_100000726257 [0,2,0,0,0,0|2,0,0]=4 14528 B17R2.5121 Brc1cnccc1NCc2cccnc2Br 27a_100009818023_100000726257 [0,2,0,0,0,0|1,0,0]=3 14529 B17R2.5121 Brc1cnccc1OCc2cccnc2Br 34a_100011996408_100010140945 [0,2,0,0,0,0|2,0,0]=4 14530 B17R2.5121 Brc1cnccc1SCc2cccnc2Br 62a_100000726257_100010140945 [0,2,0,0,0,0|2,0,0]=4 14531 B17R2.5121 Brc1cnccc1SCc2cccnc2Br 62a_100010140945_100000726257 [0,2,0,0,0,0|2,0,0]=4 14532 B17R2.5121 Brc1ncccc1CNc2ccccc2I 34a_100000210053_100010140945 [0,2,0,0,0,0|0,0,0]=2 14533 B17R2.5121 Brc1ncccc1COc2ccccc2I 34a_100000739446_100010140945 [0,2,0,0,0,0|1,0,0]=3 14534 B17R2.5121 Brc1ncccc1COc2ccccc2I 7a_100000739446_100010140945 [0,2,0,0,0,0|1,0,0]=3 14535 B17R2.5121 Brc1ncccc1COc2cccnc2Br 34a_100000744436_100010140945 [0,2,0,0,0,0|2,0,0]=4 14536 B17R2.5121 Brc1ncccc1COc2cccnc2Br 7a_100000744436_100010140945 [0,2,0,0,0,0|2,0,0]=4 14537 B17R2.5121 Brc1ncccc1COc2cccnc2I 34a_100000034122_100010140945 [0,2,0,0,0,0|2,0,0]=4 14538 B17R2.5121 Brc1ncccc1COc2cccnc2I 7a_100000034122_100010140945 [0,2,0,0,0,0|2,0,0]=4 14539 B17R2.5121 Brc1ncccc1COc2cnccc2I 34a_100000050107_100010140945 [0,2,0,0,0,0|2,0,0]=4 14540 B17R2.5121 Brc1ncccc1CSc2cccnc2Br 62a_100010140945_100010202626 [0,2,0,0,0,0|2,0,0]=4 14541 B17R2.5121 Brc1ncccc1CSc2cccnc2Br 62a_100010202626_100010140945 [0,2,0,0,0,0|2,0,0]=4 14542 B17R2.5121 Brc1ncccc1OCc2ccccc2I 34a_100000744436_100011215278 [0,2,0,0,0,0|2,0,0]=4 14543 B17R2.5121 Brc1ncccc1OCc2ccccc2I 7a_100000744436_100011215278 [0,2,0,0,0,0|2,0,0]=4 14544 B17R2.5121 Brc1ncccc1SCc2ccccc2I 62a_100010202626_100011216222 [0,2,0,0,0,0|2,0,0]=4 14545 B17R2.5121 Brc1ncccc1SCc2ccccc2I 62a_100011216222_100010202626 [0,2,0,0,0,0|2,0,0]=4 14546 B17R2.5121 C[n+]1ccccc1SCc2cccnc2Br 62a_100010140945_100000212160 [0,2,0,0,0,0|2,0,0]=4 14547 B17R2.5121 C[n+]1ccccc1SCc2cccnc2Cl 62a_100000045678_100000212160 [0,2,0,0,0,0|2,0,0]=4 14548 B17R2.5121 C[n+]1ccccc1SCc2cccnc2F 62a_100000099810_100000212160 [0,2,0,0,0,0|2,0,0]=4 14549 B17R2.5121 Cc1ccccc1CNc2ccccc2Br 207a_100000210017_100000211143 [0,2,0,0,0,0|1,0,0]=3 14550 B17R2.5121 Cc1ccccc1CNc2ccccc2Br 34a_100000210017_100000211839 [0,2,0,0,0,0|1,0,0]=3 14551 B17R2.5121 Cc1ccccc1CNc2ccccc2C 207a_100015192222_100000211143 [0,2,0,0,0,0|1,0,0]=3 14552 B17R2.5121 Cc1ccccc1CNc2ccccc2C 270302a_100015192222_100000211143 [0,2,0,0,0,0|1,0,0]=3 14553 B17R2.5121 Cc1ccccc1CNc2ccccc2C 34a_100015192222_100000211839 [0,2,0,0,0,0|1,0,0]=3 14554 B17R2.5121 Cc1ccccc1CNc2ccccc2Cl 207a_100000185783_100000211143 [0,2,0,0,0,0|1,0,0]=3 14555 B17R2.5121 Cc1ccccc1CNc2ccccc2Cl 34a_100000185783_100000211839 [0,2,0,0,0,0|1,0,0]=3 14556 B17R2.5121 Cc1ccccc1CNc2ccccc2F 207a_100000210422_100000211143 [0,2,0,0,0,0|1,0,0]=3 14557 B17R2.5121 Cc1ccccc1CNc2ccccc2F 34a_100000210422_100000211839 [0,2,0,0,0,0|1,0,0]=3 14558 B17R2.5121 Cc1ccccc1CNc2ccccc2I 207a_100000210053_100000211143 [0,2,0,0,0,0|1,0,0]=3 14559 B17R2.5121 Cc1ccccc1CNc2ccccc2I 34a_100000210053_100000211839 [0,2,0,0,0,0|1,0,0]=3 14560 B17R2.5121 Cc1ccccc1CNc2ccccc2O 34a_100000185747_100000211839 [0,2,0,0,0,0|1,0,0]=3 14561 B17R2.5121 Cc1ccccc1CNc2ccncc2Br 27a_100000174972_100000726257 [0,2,0,0,0,0|2,0,0]=4 14562 B17R2.5121 Cc1ccccc1CNc2ccncc2C 27a_100000174972_100000765111 [0,2,0,0,0,0|2,0,0]=4 14563 B17R2.5121 Cc1ccccc1CNc2ccncc2F 27a_100000174972_100000035921 [0,2,0,0,0,0|2,0,0]=4 14564 B17R2.5121 Cc1ccccc1CNc2ncccc2Br 27a_100000174972_100000696092 [0,2,0,0,0,0|2,0,0]=4 14565 B17R2.5121 Cc1ccccc1COc2ccccc2Br 34a_100000181306_100000211839 [0,2,0,0,0,0|2,0,0]=4 14566 B17R2.5121 Cc1ccccc1COc2ccccc2Br 7a_100000181306_100000211839 [0,2,0,0,0,0|2,0,0]=4 14567 B17R2.5121 Cc1ccccc1COc2ccccc2C 34a_100000210338_100000211839 [0,2,0,0,0,0|2,0,0]=4 14568 B17R2.5121 Cc1ccccc1COc2ccccc2C 7a_100000210338_100000211839 [0,2,0,0,0,0|2,0,0]=4 14569 B17R2.5121 Cc1ccccc1COc2ccccc2Cl 34a_100000210172_100000211839 [0,2,0,0,0,0|2,0,0]=4 14570 B17R2.5121 Cc1ccccc1COc2ccccc2Cl 7a_100000210172_100000211839 [0,2,0,0,0,0|2,0,0]=4 14571 B17R2.5121 Cc1ccccc1COc2ccccc2F 34a_100000210171_100000211839 [0,2,0,0,0,0|2,0,0]=4 14572 B17R2.5121 Cc1ccccc1COc2ccccc2F 7a_100000210171_100000211839 [0,2,0,0,0,0|2,0,0]=4 14573 B17R2.5121 Cc1ccccc1COc2ccccc2I 34a_100000739446_100000211839 [0,2,0,0,0,0|2,0,0]=4 14574 B17R2.5121 Cc1ccccc1COc2ccccc2I 7a_100000739446_100000211839 [0,2,0,0,0,0|2,0,0]=4 14575 B17R2.5121 Cc1ccccc1COc2ccccc2N 34a_100000185747_100000211839 [0,2,0,0,0,0|2,0,0]=4 14576 B17R2.5121 Cc1ccccc1COc2ccccc2N 7a_100000185747_100000211839 [0,2,0,0,0,0|2,0,0]=4 14577 B17R2.5121 Cc1ccccc1COc2ccccc2O 271570a_203496583355_100000151724 [0,2,0,0,0,0|2,0,0]=4 14578 B17R2.5121 Cc1ccccc1COc2cccnc2Br 34a_100000744436_100000211839 [0,2,0,0,0,0|2,0,0]=4 14579 B17R2.5121 Cc1ccccc1COc2cccnc2Br 7a_100000744436_100000211839 [0,2,0,0,0,0|2,0,0]=4 14580 B17R2.5121 Cc1ccccc1COc2cccnc2C 34a_100000745507_100000211839 [0,2,0,0,0,0|2,0,0]=4 14581 B17R2.5121 Cc1ccccc1COc2cccnc2C 7a_100000745507_100000211839 [0,2,0,0,0,0|2,0,0]=4 14582 B17R2.5121 Cc1ccccc1COc2cccnc2Cl 34a_100000757616_100000211839 [0,2,0,0,0,0|2,0,0]=4 14583 B17R2.5121 Cc1ccccc1COc2cccnc2Cl 7a_100000757616_100000211839 [0,2,0,0,0,0|2,0,0]=4 14584 B17R2.5121 Cc1ccccc1COc2cccnc2F 34a_100000061740_100000211839 [0,2,0,0,0,0|2,0,0]=4 14585 B17R2.5121 Cc1ccccc1COc2cccnc2F 7a_100000061740_100000211839 [0,2,0,0,0,0|2,0,0]=4 14586 B17R2.5121 Cc1ccccc1COc2cccnc2I 34a_100000034122_100000211839 [0,2,0,0,0,0|2,0,0]=4 14587 B17R2.5121 Cc1ccccc1COc2cccnc2I 7a_100000034122_100000211839 [0,2,0,0,0,0|2,0,0]=4 14588 B17R2.5121 Cc1ccccc1COc2cccnc2N 34a_100000211975_100000211839 [0,2,0,0,0,0|2,0,0]=4 14589 B17R2.5121 Cc1ccccc1COc2cccnc2N 7a_100000211975_100000211839 [0,2,0,0,0,0|2,0,0]=4 14590 B17R2.5121 Cc1ccccc1COc2cnccc2C 34a_100011997053_100000211839 [0,2,0,0,0,0|2,0,0]=4 14591 B17R2.5121 Cc1ccccc1COc2cnccc2C 7a_100011997053_100000211839 [0,2,0,0,0,0|2,0,0]=4 14592 B17R2.5121 Cc1ccccc1COc2cnccc2Cl 34a_100011996695_100000211839 [0,2,0,0,0,0|2,0,0]=4 14593 B17R2.5121 Cc1ccccc1COc2cnccc2I 34a_100000050107_100000211839 [0,2,0,0,0,0|2,0,0]=4 14594 B17R2.5121 Cc1ccccc1COc2cnccc2N 34a_100000753702_100000211839 [0,2,0,0,0,0|2,0,0]=4 14595 B17R2.5121 Cc1ccccc1CSc2ccccc2Br 62a_100000211839_100000695589 [0,2,0,0,0,0|2,0,0]=4 14596 B17R2.5121 Cc1ccccc1CSc2ccccc2Br 62a_100000695589_100000211839 [0,2,0,0,0,0|2,0,0]=4 14597 B17R2.5121 Cc1ccccc1CSc2ccccc2C 62a_100000210755_100000211839 [0,2,0,0,0,0|2,0,0]=4 14598 B17R2.5121 Cc1ccccc1CSc2ccccc2C 62a_100000211839_100000210755 [0,2,0,0,0,0|2,0,0]=4 14599 B17R2.5121 Cc1ccccc1CSc2ccccc2Cl 62a_100000211839_100000764095 [0,2,0,0,0,0|2,0,0]=4 14600 B17R2.5121 Cc1ccccc1CSc2ccccc2Cl 62a_100000764095_100000211839 [0,2,0,0,0,0|2,0,0]=4 14601 B17R2.5121 Cc1ccccc1CSc2ccccc2F 62a_100000211839_100011215700 [0,2,0,0,0,0|2,0,0]=4 14602 B17R2.5121 Cc1ccccc1CSc2ccccc2F 62a_100011215700_100000211839 [0,2,0,0,0,0|2,0,0]=4 14603 B17R2.5121 Cc1ccccc1CSc2ccccc2N 62a_100000210017_100000211839 [0,2,0,0,0,0|2,0,0]=4 14604 B17R2.5121 Cc1ccccc1CSc2ccccc2N 62a_100000211839_100000210017 [0,2,0,0,0,0|2,0,0]=4 14605 B17R2.5121 Cc1ccccc1CSc2ccccc2O 62a_100000211839_100000739446 [0,2,0,0,0,0|2,0,0]=4 14606 B17R2.5121 Cc1ccccc1CSc2ccccc2O 62a_100000739446_100000211839 [0,2,0,0,0,0|2,0,0]=4 14607 B17R2.5121 Cc1ccccc1CSc2cccnc2Br 62a_100000211839_100010202626 [0,2,0,0,0,0|2,0,0]=4 14608 B17R2.5121 Cc1ccccc1CSc2cccnc2Br 62a_100010202626_100000211839 [0,2,0,0,0,0|2,0,0]=4 14609 B17R2.5121 Cc1ccccc1CSc2cccnc2C 62a_100000211839_100000751574 [0,2,0,0,0,0|2,0,0]=4 14610 B17R2.5121 Cc1ccccc1CSc2cccnc2C 62a_100000751574_100000211839 [0,2,0,0,0,0|2,0,0]=4 14611 B17R2.5121 Cc1ccccc1CSc2cccnc2Cl 62a_100000036424_100000211839 [0,2,0,0,0,0|2,0,0]=4 14612 B17R2.5121 Cc1ccccc1CSc2cccnc2Cl 62a_100000211839_100000036424 [0,2,0,0,0,0|2,0,0]=4 14613 B17R2.5121 Cc1ccccc1CSc2cccnc2F 62a_100000211839_100009816115 [0,2,0,0,0,0|2,0,0]=4 14614 B17R2.5121 Cc1ccccc1CSc2cccnc2F 62a_100009816115_100000211839 [0,2,0,0,0,0|2,0,0]=4 14615 B17R2.5121 Cc1ccccc1CSc2cccnc2N 62a_100000045569_100000211839 [0,2,0,0,0,0|2,0,0]=4 14616 B17R2.5121 Cc1ccccc1CSc2cccnc2N 62a_100000211839_100000045569 [0,2,0,0,0,0|2,0,0]=4 14617 B17R2.5121 Cc1ccccc1CSc2cccnc2O 62a_100000211839_100000760158 [0,2,0,0,0,0|2,0,0]=4 14618 B17R2.5121 Cc1ccccc1CSc2cccnc2O 62a_100000760158_100000211839 [0,2,0,0,0,0|2,0,0]=4 14619 B17R2.5121 Cc1ccccc1CSc2cnccc2Br 62a_100000211839_100010138639 [0,2,0,0,0,0|2,0,0]=4 14620 B17R2.5121 Cc1ccccc1CSc2cnccc2Br 62a_100010138639_100000211839 [0,2,0,0,0,0|2,0,0]=4 14621 B17R2.5121 Cc1ccccc1CSc2cnccc2C 62a_100000211839_100000761580 [0,2,0,0,0,0|2,0,0]=4 14622 B17R2.5121 Cc1ccccc1CSc2cnccc2C 62a_100000761580_100000211839 [0,2,0,0,0,0|2,0,0]=4 14623 B17R2.5121 Cc1ccccc1CSc2cnccc2Cl 62a_100000211839_100009995489 [0,2,0,0,0,0|2,0,0]=4 14624 B17R2.5121 Cc1ccccc1CSc2cnccc2Cl 62a_100009995489_100000211839 [0,2,0,0,0,0|2,0,0]=4 14625 B17R2.5121 Cc1ccccc1CSc2cnccc2F 62a_100000211839_100009820683 [0,2,0,0,0,0|2,0,0]=4 14626 B17R2.5121 Cc1ccccc1CSc2cnccc2F 62a_100009820683_100000211839 [0,2,0,0,0,0|2,0,0]=4 14627 B17R2.5121 Cc1ccccc1CSc2cnccc2N 62a_100000047001_100000211839 [0,2,0,0,0,0|2,0,0]=4 14628 B17R2.5121 Cc1ccccc1CSc2cnccc2N 62a_100000211839_100000047001 [0,2,0,0,0,0|2,0,0]=4 14629 B17R2.5121 Cc1ccccc1NCc2ccccc2Br 207a_100015192222_100000211189 [0,2,0,0,0,0|1,0,0]=3 14630 B17R2.5121 Cc1ccccc1NCc2ccccc2Br 270302a_100015192222_100000211189 [0,2,0,0,0,0|1,0,0]=3 14631 B17R2.5121 Cc1ccccc1NCc2ccccc2Br 34a_100015192222_100000184730 [0,2,0,0,0,0|1,0,0]=3 14632 B17R2.5121 Cc1ccccc1NCc2ccccc2Cl 207a_100015192222_100000210073 [0,2,0,0,0,0|1,0,0]=3 14633 B17R2.5121 Cc1ccccc1NCc2ccccc2Cl 270302a_100015192222_100000210073 [0,2,0,0,0,0|1,0,0]=3 14634 B17R2.5121 Cc1ccccc1NCc2ccccc2Cl 34a_100015192222_100000187162 [0,2,0,0,0,0|1,0,0]=3 14635 B17R2.5121 Cc1ccccc1NCc2ccccc2F 207a_100015192222_100000210811 [0,2,0,0,0,0|1,0,0]=3 14636 B17R2.5121 Cc1ccccc1NCc2ccccc2F 270302a_100015192222_100000210811 [0,2,0,0,0,0|1,0,0]=3 14637 B17R2.5121 Cc1ccccc1NCc2ccccc2F 34a_100015192222_100000211605 [0,2,0,0,0,0|1,0,0]=3 14638 B17R2.5121 Cc1ccccc1NCc2ccccc2I 207a_100015192222_100000010305 [0,2,0,0,0,0|1,0,0]=3 14639 B17R2.5121 Cc1ccccc1NCc2ccccc2I 34a_100015192222_100011215278 [0,2,0,0,0,0|1,0,0]=3 14640 B17R2.5121 Cc1ccccc1NCc2ccccc2O 270302a_100015192222_100000185834 [0,2,0,0,0,0|1,0,0]=3 14641 B17R2.5121 Cc1ccccc1NCc2cccnc2Br 34a_100015192222_100010140945 [0,2,0,0,0,0|0,0,0]=2 14642 B17R2.5121 Cc1ccccc1NCc2cccnc2C 207a_100015192222_100000751968 [0,2,0,0,0,0|0,0,0]=2 14643 B17R2.5121 Cc1ccccc1NCc2cccnc2C 34a_100015192222_100000732876 [0,2,0,0,0,0|0,0,0]=2 14644 B17R2.5121 Cc1ccccc1NCc2cccnc2Cl 34a_100015192222_100000045678 [0,2,0,0,0,0|0,0,0]=2 14645 B17R2.5121 Cc1ccccc1NCc2cccnc2F 34a_100015192222_100000099810 [0,2,0,0,0,0|0,0,0]=2 14646 B17R2.5121 Cc1ccccc1NCc2cccnc2O 207a_100015192222_100011998315 [0,2,0,0,0,0|0,0,0]=2 14647 B17R2.5121 Cc1ccccc1NCc2cccnc2O 270302a_100015192222_100011998315 [0,2,0,0,0,0|0,0,0]=2 14648 B17R2.5121 Cc1ccccc1NCc2ccncc2Cl 207a_100015192222_100011934409 [0,2,0,0,0,0|2,0,0]=4 14649 B17R2.5121 Cc1ccccc1NCc2ncccc2Br 207a_100015192222_100011934733 [0,2,0,0,0,0|2,0,0]=4 14650 B17R2.5121 Cc1ccccc1NCc2ncccc2Br 34a_100015192222_100025702911 [0,2,0,0,0,0|2,0,0]=4 14651 B17R2.5121 Cc1ccccc1NCc2ncccc2C 207a_100015192222_100000698913 [0,2,0,0,0,0|2,0,0]=4 14652 B17R2.5121 Cc1ccccc1NCc2ncccc2C 34a_100015192222_100000696600 [0,2,0,0,0,0|2,0,0]=4 14653 B17R2.5121 Cc1ccccc1NCc2ncccc2Cl 207a_100015192222_100012001307 [0,2,0,0,0,0|2,0,0]=4 14654 B17R2.5121 Cc1ccccc1NCc2ncccc2F 207a_100015192222_100011934734 [0,2,0,0,0,0|2,0,0]=4 14655 B17R2.5121 Cc1ccccc1NCc2ncccc2F 34a_100015192222_100000104219 [0,2,0,0,0,0|2,0,0]=4 14656 B17R2.5121 Cc1ccccc1NCc2ncccc2O 34a_100015192222_200020655725 [0,2,0,0,0,0|2,0,0]=4 14657 B17R2.5121 Cc1ccccc1OCc2ccccc2Br 34a_100000210338_100000184730 [0,2,0,0,0,0|2,0,0]=4 14658 B17R2.5121 Cc1ccccc1OCc2ccccc2Br 7a_100000210338_100000184730 [0,2,0,0,0,0|2,0,0]=4 14659 B17R2.5121 Cc1ccccc1OCc2ccccc2Cl 34a_100000210338_100000187162 [0,2,0,0,0,0|2,0,0]=4 14660 B17R2.5121 Cc1ccccc1OCc2ccccc2Cl 7a_100000210338_100000187162 [0,2,0,0,0,0|2,0,0]=4 14661 B17R2.5121 Cc1ccccc1OCc2ccccc2F 34a_100000210338_100000211605 [0,2,0,0,0,0|2,0,0]=4 14662 B17R2.5121 Cc1ccccc1OCc2ccccc2F 7a_100000210338_100000211605 [0,2,0,0,0,0|2,0,0]=4 14663 B17R2.5121 Cc1ccccc1OCc2ccccc2I 34a_100000210338_100011215278 [0,2,0,0,0,0|2,0,0]=4 14664 B17R2.5121 Cc1ccccc1OCc2ccccc2I 7a_100000210338_100011215278 [0,2,0,0,0,0|2,0,0]=4 14665 B17R2.5121 Cc1ccccc1OCc2cccnc2Br 34a_100000210338_100010140945 [0,2,0,0,0,0|1,0,0]=3 14666 B17R2.5121 Cc1ccccc1OCc2cccnc2Br 7a_100000210338_100010140945 [0,2,0,0,0,0|1,0,0]=3 14667 B17R2.5121 Cc1ccccc1OCc2cccnc2C 34a_100000210338_100000732876 [0,2,0,0,0,0|1,0,0]=3 14668 B17R2.5121 Cc1ccccc1OCc2cccnc2C 7a_100000210338_100000732876 [0,2,0,0,0,0|1,0,0]=3 14669 B17R2.5121 Cc1ccccc1OCc2cccnc2Cl 34a_100000210338_100000045678 [0,2,0,0,0,0|1,0,0]=3 14670 B17R2.5121 Cc1ccccc1OCc2cccnc2Cl 7a_100000210338_100000045678 [0,2,0,0,0,0|1,0,0]=3 14671 B17R2.5121 Cc1ccccc1OCc2cccnc2F 34a_100000210338_100000099810 [0,2,0,0,0,0|1,0,0]=3 14672 B17R2.5121 Cc1ccccc1OCc2cccnc2F 7a_100000210338_100000099810 [0,2,0,0,0,0|1,0,0]=3 14673 B17R2.5121 Cc1ccccc1SCc2ccccc2Br 62a_100000184730_100000210755 [0,2,0,0,0,0|2,0,0]=4 14674 B17R2.5121 Cc1ccccc1SCc2ccccc2Br 62a_100000210755_100000184730 [0,2,0,0,0,0|2,0,0]=4 14675 B17R2.5121 Cc1ccccc1SCc2ccccc2Cl 62a_100000187162_100000210755 [0,2,0,0,0,0|2,0,0]=4 14676 B17R2.5121 Cc1ccccc1SCc2ccccc2Cl 62a_100000210755_100000187162 [0,2,0,0,0,0|2,0,0]=4 14677 B17R2.5121 Cc1ccccc1SCc2ccccc2F 62a_100000210755_100000211605 [0,2,0,0,0,0|2,0,0]=4 14678 B17R2.5121 Cc1ccccc1SCc2ccccc2F 62a_100000211605_100000210755 [0,2,0,0,0,0|2,0,0]=4 14679 B17R2.5121 Cc1ccccc1SCc2ccccc2I 62a_100000210755_100011216222 [0,2,0,0,0,0|2,0,0]=4 14680 B17R2.5121 Cc1ccccc1SCc2ccccc2I 62a_100011216222_100000210755 [0,2,0,0,0,0|2,0,0]=4 14681 B17R2.5121 Cc1ccccc1SCc2cccnc2Br 62a_100000210755_100010140945 [0,2,0,0,0,0|1,0,0]=3 14682 B17R2.5121 Cc1ccccc1SCc2cccnc2Br 62a_100010140945_100000210755 [0,2,0,0,0,0|1,0,0]=3 14683 B17R2.5121 Cc1ccccc1SCc2cccnc2C 62a_100000210755_100000732876 [0,2,0,0,0,0|1,0,0]=3 14684 B17R2.5121 Cc1ccccc1SCc2cccnc2C 62a_100000732876_100000210755 [0,2,0,0,0,0|1,0,0]=3 14685 B17R2.5121 Cc1ccccc1SCc2cccnc2Cl 62a_100000045678_100000210755 [0,2,0,0,0,0|1,0,0]=3 14686 B17R2.5121 Cc1ccccc1SCc2cccnc2Cl 62a_100000210755_100000045678 [0,2,0,0,0,0|1,0,0]=3 14687 B17R2.5121 Cc1ccccc1SCc2cccnc2F 62a_100000099810_100000210755 [0,2,0,0,0,0|1,0,0]=3 14688 B17R2.5121 Cc1ccccc1SCc2cccnc2F 62a_100000210755_100000099810 [0,2,0,0,0,0|1,0,0]=3 14689 B17R2.5121 Cc1cccnc1CNc2ccccc2Br 207a_100000210017_100000698913 [0,2,0,0,0,0|2,0,0]=4 14690 B17R2.5121 Cc1cccnc1CNc2ccccc2Br 34a_100000210017_100000696600 [0,2,0,0,0,0|2,0,0]=4 14691 B17R2.5121 Cc1cccnc1CNc2ccccc2Cl 207a_100000185783_100000698913 [0,2,0,0,0,0|2,0,0]=4 14692 B17R2.5121 Cc1cccnc1CNc2ccccc2Cl 34a_100000185783_100000696600 [0,2,0,0,0,0|2,0,0]=4 14693 B17R2.5121 Cc1cccnc1CNc2ccccc2F 207a_100000210422_100000698913 [0,2,0,0,0,0|2,0,0]=4 14694 B17R2.5121 Cc1cccnc1CNc2ccccc2F 34a_100000210422_100000696600 [0,2,0,0,0,0|2,0,0]=4 14695 B17R2.5121 Cc1cccnc1CNc2ccccc2I 207a_100000210053_100000698913 [0,2,0,0,0,0|2,0,0]=4 14696 B17R2.5121 Cc1cccnc1CNc2ccccc2I 34a_100000210053_100000696600 [0,2,0,0,0,0|2,0,0]=4 14697 B17R2.5121 Cc1cccnc1CNc2ccccc2O 34a_100000185747_100000696600 [0,2,0,0,0,0|2,0,0]=4 14698 B17R2.5121 Cc1cccnc1SCc2cccnc2Br 62a_100000751373_100010140945 [0,2,0,0,0,0|2,0,0]=4 14699 B17R2.5121 Cc1cccnc1SCc2cccnc2Br 62a_100010140945_100000751373 [0,2,0,0,0,0|2,0,0]=4 14700 B17R2.5121 Cc1cccnc1SCc2cccnc2C 62a_100000732876_100000751373 [0,2,0,0,0,0|2,0,0]=4 14701 B17R2.5121 Cc1cccnc1SCc2cccnc2C 62a_100000751373_100000732876 [0,2,0,0,0,0|2,0,0]=4 14702 B17R2.5121 Cc1cccnc1SCc2cccnc2Cl 62a_100000045678_100000751373 [0,2,0,0,0,0|2,0,0]=4 14703 B17R2.5121 Cc1cccnc1SCc2cccnc2Cl 62a_100000751373_100000045678 [0,2,0,0,0,0|2,0,0]=4 14704 B17R2.5121 Cc1cccnc1SCc2cccnc2F 62a_100000099810_100000751373 [0,2,0,0,0,0|2,0,0]=4 14705 B17R2.5121 Cc1cccnc1SCc2cccnc2F 62a_100000751373_100000099810 [0,2,0,0,0,0|2,0,0]=4 14706 B17R2.5121 Cc1ccncc1C=Cc2ccccc2F 271570a_200102527919_100000761580 [0,2,0,0,0,0|1,0,1]=4 14707 B17R2.5121 Cc1ccncc1CNc2ccccc2Br 207a_100000210017_100000685662 [0,2,0,0,0,0|0,0,0]=2 14708 B17R2.5121 Cc1ccncc1CNc2ccccc2Br 34a_100000210017_100000690890 [0,2,0,0,0,0|0,0,0]=2 14709 B17R2.5121 Cc1ccncc1CNc2ccccc2C 207a_100015192222_100000685662 [0,2,0,0,0,0|0,0,0]=2 14710 B17R2.5121 Cc1ccncc1CNc2ccccc2C 34a_100015192222_100000690890 [0,2,0,0,0,0|0,0,0]=2 14711 B17R2.5121 Cc1ccncc1CNc2ccccc2Cl 207a_100000185783_100000685662 [0,2,0,0,0,0|0,0,0]=2 14712 B17R2.5121 Cc1ccncc1CNc2ccccc2Cl 34a_100000185783_100000690890 [0,2,0,0,0,0|0,0,0]=2 14713 B17R2.5121 Cc1ccncc1CNc2ccccc2F 207a_100000210422_100000685662 [0,2,0,0,0,0|0,0,0]=2 14714 B17R2.5121 Cc1ccncc1CNc2ccccc2F 34a_100000210422_100000690890 [0,2,0,0,0,0|0,0,0]=2 14715 B17R2.5121 Cc1ccncc1CNc2ccccc2I 207a_100000210053_100000685662 [0,2,0,0,0,0|0,0,0]=2 14716 B17R2.5121 Cc1ccncc1CNc2ccccc2I 34a_100000210053_100000690890 [0,2,0,0,0,0|0,0,0]=2 14717 B17R2.5121 Cc1ccncc1CNc2ccccc2O 34a_100000185747_100000690890 [0,2,0,0,0,0|0,0,0]=2 14718 B17R2.5121 Cc1ccncc1CNc2ccn[nH]c2=O 27a_100011997553_100000087129 [0,2,0,0,0,0|2,0,0]=4 14719 B17R2.5121 Cc1ccncc1CNc2ccncc2Br 27a_100011997553_100000726257 [0,2,0,0,0,0|1,0,0]=3 14720 B17R2.5121 Cc1ccncc1CNc2ccncc2C 27a_100011997553_100000765111 [0,2,0,0,0,0|1,0,0]=3 14721 B17R2.5121 Cc1ccncc1CNc2ccncc2F 27a_100011997553_100000035921 [0,2,0,0,0,0|1,0,0]=3 14722 B17R2.5121 Cc1ccncc1CNc2ncccc2Br 27a_100011997553_100000696092 [0,2,0,0,0,0|1,0,0]=3 14723 B17R2.5121 Cc1ccncc1CNc2nccnc2C 27a_100011997553_100011999405 [0,2,0,0,0,0|2,0,0]=4 14724 B17R2.5121 Cc1ccncc1CNc2nccnc2F 27a_100011997553_200010125657 [0,2,0,0,0,0|2,0,0]=4 14725 B17R2.5121 Cc1ccncc1CNc2ncncc2C 27a_100011997553_100011998708 [0,2,0,0,0,0|2,0,0]=4 14726 B17R2.5121 Cc1ccncc1CNc2ncncc2F 27a_100011997553_100000069762 [0,2,0,0,0,0|2,0,0]=4 14727 B17R2.5121 Cc1ccncc1CNc2ncncc2N 27a_100011997553_100000709731 [0,2,0,0,0,0|2,0,0]=4 14728 B17R2.5121 Cc1ccncc1CNc2nnccc2C 27a_100011997553_100000089043 [0,2,0,0,0,0|2,0,0]=4 14729 B17R2.5121 Cc1ccncc1COc2cccc[n+]2[O-] 7a_100000211761_100000690890 [0,2,0,0,0,0|2,0,0]=4 14730 B17R2.5121 Cc1ccncc1COc2ccccc2Br 34a_100000181306_100000690890 [0,2,0,0,0,0|1,0,0]=3 14731 B17R2.5121 Cc1ccncc1COc2ccccc2Br 7a_100000181306_100000690890 [0,2,0,0,0,0|1,0,0]=3 14732 B17R2.5121 Cc1ccncc1COc2ccccc2C 34a_100000210338_100000690890 [0,2,0,0,0,0|1,0,0]=3 14733 B17R2.5121 Cc1ccncc1COc2ccccc2C 7a_100000210338_100000690890 [0,2,0,0,0,0|1,0,0]=3 14734 B17R2.5121 Cc1ccncc1COc2ccccc2Cl 34a_100000210172_100000690890 [0,2,0,0,0,0|1,0,0]=3 14735 B17R2.5121 Cc1ccncc1COc2ccccc2Cl 7a_100000210172_100000690890 [0,2,0,0,0,0|1,0,0]=3 14736 B17R2.5121 Cc1ccncc1COc2ccccc2F 34a_100000210171_100000690890 [0,2,0,0,0,0|1,0,0]=3 14737 B17R2.5121 Cc1ccncc1COc2ccccc2F 7a_100000210171_100000690890 [0,2,0,0,0,0|1,0,0]=3 14738 B17R2.5121 Cc1ccncc1COc2ccccc2I 34a_100000739446_100000690890 [0,2,0,0,0,0|1,0,0]=3 14739 B17R2.5121 Cc1ccncc1COc2ccccc2I 7a_100000739446_100000690890 [0,2,0,0,0,0|1,0,0]=3 14740 B17R2.5121 Cc1ccncc1COc2ccccc2N 34a_100000185747_100000690890 [0,2,0,0,0,0|1,0,0]=3 14741 B17R2.5121 Cc1ccncc1COc2ccccc2N 7a_100000185747_100000690890 [0,2,0,0,0,0|1,0,0]=3 14742 B17R2.5121 Cc1ccncc1COc2cccnc2Br 34a_100000744436_100000690890 [0,2,0,0,0,0|2,0,0]=4 14743 B17R2.5121 Cc1ccncc1COc2cccnc2Br 7a_100000744436_100000690890 [0,2,0,0,0,0|2,0,0]=4 14744 B17R2.5121 Cc1ccncc1COc2cccnc2C 34a_100000745507_100000690890 [0,2,0,0,0,0|2,0,0]=4 14745 B17R2.5121 Cc1ccncc1COc2cccnc2C 7a_100000745507_100000690890 [0,2,0,0,0,0|2,0,0]=4 14746 B17R2.5121 Cc1ccncc1COc2cccnc2Cl 34a_100000757616_100000690890 [0,2,0,0,0,0|2,0,0]=4 14747 B17R2.5121 Cc1ccncc1COc2cccnc2Cl 7a_100000757616_100000690890 [0,2,0,0,0,0|2,0,0]=4 14748 B17R2.5121 Cc1ccncc1COc2cccnc2F 34a_100000061740_100000690890 [0,2,0,0,0,0|2,0,0]=4 14749 B17R2.5121 Cc1ccncc1COc2cccnc2F 7a_100000061740_100000690890 [0,2,0,0,0,0|2,0,0]=4 14750 B17R2.5121 Cc1ccncc1COc2cccnc2I 34a_100000034122_100000690890 [0,2,0,0,0,0|2,0,0]=4 14751 B17R2.5121 Cc1ccncc1COc2cccnc2I 7a_100000034122_100000690890 [0,2,0,0,0,0|2,0,0]=4 14752 B17R2.5121 Cc1ccncc1COc2cccnc2N 34a_100000211975_100000690890 [0,2,0,0,0,0|2,0,0]=4 14753 B17R2.5121 Cc1ccncc1COc2cccnc2N 7a_100000211975_100000690890 [0,2,0,0,0,0|2,0,0]=4 14754 B17R2.5121 Cc1ccncc1COc2cccoc2=O 34a_100000077404_100000690890 [0,2,0,0,0,0|2,0,0]=4 14755 B17R2.5121 Cc1ccncc1COc2cccoc2=O 7a_100000077404_100000690890 [0,2,0,0,0,0|2,0,0]=4 14756 B17R2.5121 Cc1ccncc1COc2ccncc2Br 34a_100011996408_100000690890 [0,2,0,0,0,0|2,0,0]=4 14757 B17R2.5121 Cc1ccncc1COc2ccncc2C 34a_100000694293_100000690890 [0,2,0,0,0,0|2,0,0]=4 14758 B17R2.5121 Cc1ccncc1COc2ccncc2Cl 34a_100011997054_100000690890 [0,2,0,0,0,0|2,0,0]=4 14759 B17R2.5121 Cc1ccncc1COc2ccncc2F 34a_200000081243_100000690890 [0,2,0,0,0,0|2,0,0]=4 14760 B17R2.5121 Cc1ccncc1COc2cnccc2C 34a_100011997053_100000690890 [0,2,0,0,0,0|2,0,0]=4 14761 B17R2.5121 Cc1ccncc1COc2cnccc2C 7a_100011997053_100000690890 [0,2,0,0,0,0|2,0,0]=4 14762 B17R2.5121 Cc1ccncc1COc2cnccc2Cl 34a_100011996695_100000690890 [0,2,0,0,0,0|2,0,0]=4 14763 B17R2.5121 Cc1ccncc1COc2cnccc2I 34a_100000050107_100000690890 [0,2,0,0,0,0|2,0,0]=4 14764 B17R2.5121 Cc1ccncc1COc2cnccc2N 34a_100000753702_100000690890 [0,2,0,0,0,0|2,0,0]=4 14765 B17R2.5121 Cc1ccncc1COc2coccc2=O 34a_100000060831_100000690890 [0,2,0,0,0,0|2,0,0]=4 14766 B17R2.5121 Cc1ccncc1COc2ncccc2Cl 34a_100011290957_100000690890 [0,2,0,0,0,0|2,0,0]=4 14767 B17R2.5121 Cc1ccncc1COc2ncccc2F 34a_100011219419_100000690890 [0,2,0,0,0,0|2,0,0]=4 14768 B17R2.5121 Cc1ccncc1COc2ncccc2N 34a_100000746358_100000690890 [0,2,0,0,0,0|2,0,0]=4 14769 B17R2.5121 Cc1ccncc1CSc2c[nH]ccc2=O 62a_100000690890_100009998708 [0,2,0,0,0,0|2,0,0]=4 14770 B17R2.5121 Cc1ccncc1CSc2c[nH]ccc2=O 62a_100009998708_100000690890 [0,2,0,0,0,0|2,0,0]=4 14771 B17R2.5121 Cc1ccncc1CSc2c[nH]ccc2=S 62a_100000690890_200012280681 [0,2,0,0,0,0|2,0,0]=4 14772 B17R2.5121 Cc1ccncc1CSc2c[nH]ccc2=S 62a_200012280681_100000690890 [0,2,0,0,0,0|2,0,0]=4 14773 B17R2.5121 Cc1ccncc1CSc2cccc[n+]2C 62a_100000690890_100000212160 [0,2,0,0,0,0|2,0,0]=4 14774 B17R2.5121 Cc1ccncc1CSc2cccc[n+]2[O-] 62a_100000690890_200000042595 [0,2,0,0,0,0|2,0,0]=4 14775 B17R2.5121 Cc1ccncc1CSc2ccccc2Br 62a_100000690890_100000695589 [0,2,0,0,0,0|1,0,0]=3 14776 B17R2.5121 Cc1ccncc1CSc2ccccc2Br 62a_100000695589_100000690890 [0,2,0,0,0,0|1,0,0]=3 14777 B17R2.5121 Cc1ccncc1CSc2ccccc2C 62a_100000210755_100000690890 [0,2,0,0,0,0|1,0,0]=3 14778 B17R2.5121 Cc1ccncc1CSc2ccccc2C 62a_100000690890_100000210755 [0,2,0,0,0,0|1,0,0]=3 14779 B17R2.5121 Cc1ccncc1CSc2ccccc2Cl 62a_100000690890_100000764095 [0,2,0,0,0,0|1,0,0]=3 14780 B17R2.5121 Cc1ccncc1CSc2ccccc2Cl 62a_100000764095_100000690890 [0,2,0,0,0,0|1,0,0]=3 14781 B17R2.5121 Cc1ccncc1CSc2ccccc2F 62a_100000690890_100011215700 [0,2,0,0,0,0|1,0,0]=3 14782 B17R2.5121 Cc1ccncc1CSc2ccccc2F 62a_100011215700_100000690890 [0,2,0,0,0,0|1,0,0]=3 14783 B17R2.5121 Cc1ccncc1CSc2ccccc2N 62a_100000210017_100000690890 [0,2,0,0,0,0|1,0,0]=3 14784 B17R2.5121 Cc1ccncc1CSc2ccccc2N 62a_100000690890_100000210017 [0,2,0,0,0,0|1,0,0]=3 14785 B17R2.5121 Cc1ccncc1CSc2ccccc2O 62a_100000690890_100000739446 [0,2,0,0,0,0|1,0,0]=3 14786 B17R2.5121 Cc1ccncc1CSc2ccccc2O 62a_100000739446_100000690890 [0,2,0,0,0,0|1,0,0]=3 14787 B17R2.5121 Cc1ccncc1CSc2cccnc2Br 62a_100000690890_100010202626 [0,2,0,0,0,0|2,0,0]=4 14788 B17R2.5121 Cc1ccncc1CSc2cccnc2Br 62a_100010202626_100000690890 [0,2,0,0,0,0|2,0,0]=4 14789 B17R2.5121 Cc1ccncc1CSc2cccnc2C 62a_100000690890_100000751574 [0,2,0,0,0,0|2,0,0]=4 14790 B17R2.5121 Cc1ccncc1CSc2cccnc2C 62a_100000751574_100000690890 [0,2,0,0,0,0|2,0,0]=4 14791 B17R2.5121 Cc1ccncc1CSc2cccnc2Cl 62a_100000036424_100000690890 [0,2,0,0,0,0|2,0,0]=4 14792 B17R2.5121 Cc1ccncc1CSc2cccnc2Cl 62a_100000690890_100000036424 [0,2,0,0,0,0|2,0,0]=4 14793 B17R2.5121 Cc1ccncc1CSc2cccnc2F 62a_100000690890_100009816115 [0,2,0,0,0,0|2,0,0]=4 14794 B17R2.5121 Cc1ccncc1CSc2cccnc2F 62a_100009816115_100000690890 [0,2,0,0,0,0|2,0,0]=4 14795 B17R2.5121 Cc1ccncc1CSc2cccnc2N 62a_100000045569_100000690890 [0,2,0,0,0,0|2,0,0]=4 14796 B17R2.5121 Cc1ccncc1CSc2cccnc2N 62a_100000690890_100000045569 [0,2,0,0,0,0|2,0,0]=4 14797 B17R2.5121 Cc1ccncc1CSc2cccnc2O 62a_100000690890_100000760158 [0,2,0,0,0,0|2,0,0]=4 14798 B17R2.5121 Cc1ccncc1CSc2cccnc2O 62a_100000760158_100000690890 [0,2,0,0,0,0|2,0,0]=4 14799 B17R2.5121 Cc1ccncc1CSc2ccncc2Br 62a_100000690890_100000726257 [0,2,0,0,0,0|2,0,0]=4 14800 B17R2.5121 Cc1ccncc1CSc2ccncc2Br 62a_100000726257_100000690890 [0,2,0,0,0,0|2,0,0]=4 14801 B17R2.5121 Cc1ccncc1CSc2ccncc2C 62a_100000690890_100000765111 [0,2,0,0,0,0|2,0,0]=4 14802 B17R2.5121 Cc1ccncc1CSc2ccncc2C 62a_100000765111_100000690890 [0,2,0,0,0,0|2,0,0]=4 14803 B17R2.5121 Cc1ccncc1CSc2ccncc2Cl 62a_100000690890_100000708259 [0,2,0,0,0,0|2,0,0]=4 14804 B17R2.5121 Cc1ccncc1CSc2ccncc2Cl 62a_100000708259_100000690890 [0,2,0,0,0,0|2,0,0]=4 14805 B17R2.5121 Cc1ccncc1CSc2ccncc2F 62a_100000047030_100000690890 [0,2,0,0,0,0|2,0,0]=4 14806 B17R2.5121 Cc1ccncc1CSc2ccncc2F 62a_100000690890_100000047030 [0,2,0,0,0,0|2,0,0]=4 14807 B17R2.5121 Cc1ccncc1CSc2ccncc2N 62a_100000690890_100000756074 [0,2,0,0,0,0|2,0,0]=4 14808 B17R2.5121 Cc1ccncc1CSc2ccncc2N 62a_100000756074_100000690890 [0,2,0,0,0,0|2,0,0]=4 14809 B17R2.5121 Cc1ccncc1CSc2ccncc2O 62a_100000690890_100009817591 [0,2,0,0,0,0|2,0,0]=4 14810 B17R2.5121 Cc1ccncc1CSc2ccncc2O 62a_100009817591_100000690890 [0,2,0,0,0,0|2,0,0]=4 14811 B17R2.5121 Cc1ccncc1CSc2cnccc2Br 62a_100000690890_100010138639 [0,2,0,0,0,0|2,0,0]=4 14812 B17R2.5121 Cc1ccncc1CSc2cnccc2Br 62a_100010138639_100000690890 [0,2,0,0,0,0|2,0,0]=4 14813 B17R2.5121 Cc1ccncc1CSc2cnccc2C 62a_100000690890_100000761580 [0,2,0,0,0,0|2,0,0]=4 14814 B17R2.5121 Cc1ccncc1CSc2cnccc2C 62a_100000761580_100000690890 [0,2,0,0,0,0|2,0,0]=4 14815 B17R2.5121 Cc1ccncc1CSc2cnccc2Cl 62a_100000690890_100009995489 [0,2,0,0,0,0|2,0,0]=4 14816 B17R2.5121 Cc1ccncc1CSc2cnccc2Cl 62a_100009995489_100000690890 [0,2,0,0,0,0|2,0,0]=4 14817 B17R2.5121 Cc1ccncc1CSc2cnccc2F 62a_100000690890_100009820683 [0,2,0,0,0,0|2,0,0]=4 14818 B17R2.5121 Cc1ccncc1CSc2cnccc2F 62a_100009820683_100000690890 [0,2,0,0,0,0|2,0,0]=4 14819 B17R2.5121 Cc1ccncc1CSc2cnccc2N 62a_100000047001_100000690890 [0,2,0,0,0,0|2,0,0]=4 14820 B17R2.5121 Cc1ccncc1CSc2cnccc2N 62a_100000690890_100000047001 [0,2,0,0,0,0|2,0,0]=4 14821 B17R2.5121 Cc1ccncc1CSc2ncccc2Br 62a_100000690890_100000696092 [0,2,0,0,0,0|2,0,0]=4 14822 B17R2.5121 Cc1ccncc1CSc2ncccc2Br 62a_100000696092_100000690890 [0,2,0,0,0,0|2,0,0]=4 14823 B17R2.5121 Cc1ccncc1CSc2ncccc2C 62a_100000690890_100000751373 [0,2,0,0,0,0|2,0,0]=4 14824 B17R2.5121 Cc1ccncc1CSc2ncccc2C 62a_100000751373_100000690890 [0,2,0,0,0,0|2,0,0]=4 14825 B17R2.5121 Cc1ccncc1CSc2ncccc2Cl 62a_100000690890_100011356963 [0,2,0,0,0,0|2,0,0]=4 14826 B17R2.5121 Cc1ccncc1CSc2ncccc2Cl 62a_100011356963_100000690890 [0,2,0,0,0,0|2,0,0]=4 14827 B17R2.5121 Cc1ccncc1CSc2ncccc2F 62a_100000685392_100000690890 [0,2,0,0,0,0|2,0,0]=4 14828 B17R2.5121 Cc1ccncc1CSc2ncccc2F 62a_100000690890_100000685392 [0,2,0,0,0,0|2,0,0]=4 14829 B17R2.5121 Cc1ccncc1CSc2ncccc2N 62a_100000688686_100000690890 [0,2,0,0,0,0|2,0,0]=4 14830 B17R2.5121 Cc1ccncc1CSc2ncccc2N 62a_100000690890_100000688686 [0,2,0,0,0,0|2,0,0]=4 14831 B17R2.5121 Cc1ccncc1CSc2ncccc2O 62a_100000034122_100000690890 [0,2,0,0,0,0|2,0,0]=4 14832 B17R2.5121 Cc1ccncc1CSc2ncccc2O 62a_100000690890_100000034122 [0,2,0,0,0,0|2,0,0]=4 14833 B17R2.5121 Cc1ccncc1OCc2ccccc2Br 34a_100011997053_100000184730 [0,2,0,0,0,0|2,0,0]=4 14834 B17R2.5121 Cc1ccncc1OCc2ccccc2Br 7a_100011997053_100000184730 [0,2,0,0,0,0|2,0,0]=4 14835 B17R2.5121 Cc1ccncc1OCc2ccccc2Cl 34a_100011997053_100000187162 [0,2,0,0,0,0|2,0,0]=4 14836 B17R2.5121 Cc1ccncc1OCc2ccccc2Cl 7a_100011997053_100000187162 [0,2,0,0,0,0|2,0,0]=4 14837 B17R2.5121 Cc1ccncc1OCc2ccccc2F 34a_100011997053_100000211605 [0,2,0,0,0,0|2,0,0]=4 14838 B17R2.5121 Cc1ccncc1OCc2ccccc2F 7a_100011997053_100000211605 [0,2,0,0,0,0|2,0,0]=4 14839 B17R2.5121 Cc1ccncc1OCc2ccccc2I 34a_100011997053_100011215278 [0,2,0,0,0,0|2,0,0]=4 14840 B17R2.5121 Cc1ccncc1OCc2ccccc2I 7a_100011997053_100011215278 [0,2,0,0,0,0|2,0,0]=4 14841 B17R2.5121 Cc1ccncc1OCc2cccnc2Br 34a_100011997053_100010140945 [0,2,0,0,0,0|2,0,0]=4 14842 B17R2.5121 Cc1ccncc1OCc2cccnc2Br 7a_100011997053_100010140945 [0,2,0,0,0,0|2,0,0]=4 14843 B17R2.5121 Cc1ccncc1OCc2cccnc2C 34a_100011997053_100000732876 [0,2,0,0,0,0|2,0,0]=4 14844 B17R2.5121 Cc1ccncc1OCc2cccnc2C 7a_100011997053_100000732876 [0,2,0,0,0,0|2,0,0]=4 14845 B17R2.5121 Cc1ccncc1OCc2cccnc2Cl 34a_100011997053_100000045678 [0,2,0,0,0,0|2,0,0]=4 14846 B17R2.5121 Cc1ccncc1OCc2cccnc2Cl 7a_100011997053_100000045678 [0,2,0,0,0,0|2,0,0]=4 14847 B17R2.5121 Cc1ccncc1OCc2cccnc2F 34a_100011997053_100000099810 [0,2,0,0,0,0|2,0,0]=4 14848 B17R2.5121 Cc1ccncc1OCc2cccnc2F 7a_100011997053_100000099810 [0,2,0,0,0,0|2,0,0]=4 14849 B17R2.5121 Cc1ccncc1SCc2ccccc2Br 62a_100000184730_100000761580 [0,2,0,0,0,0|2,0,0]=4 14850 B17R2.5121 Cc1ccncc1SCc2ccccc2Br 62a_100000761580_100000184730 [0,2,0,0,0,0|2,0,0]=4 14851 B17R2.5121 Cc1ccncc1SCc2ccccc2Cl 62a_100000187162_100000761580 [0,2,0,0,0,0|2,0,0]=4 14852 B17R2.5121 Cc1ccncc1SCc2ccccc2Cl 62a_100000761580_100000187162 [0,2,0,0,0,0|2,0,0]=4 14853 B17R2.5121 Cc1ccncc1SCc2ccccc2F 62a_100000211605_100000761580 [0,2,0,0,0,0|2,0,0]=4 14854 B17R2.5121 Cc1ccncc1SCc2ccccc2F 62a_100000761580_100000211605 [0,2,0,0,0,0|2,0,0]=4 14855 B17R2.5121 Cc1ccncc1SCc2ccccc2I 62a_100000761580_100011216222 [0,2,0,0,0,0|2,0,0]=4 14856 B17R2.5121 Cc1ccncc1SCc2ccccc2I 62a_100011216222_100000761580 [0,2,0,0,0,0|2,0,0]=4 14857 B17R2.5121 Cc1ccncc1SCc2cccnc2Br 62a_100000761580_100010140945 [0,2,0,0,0,0|2,0,0]=4 14858 B17R2.5121 Cc1ccncc1SCc2cccnc2Br 62a_100010140945_100000761580 [0,2,0,0,0,0|2,0,0]=4 14859 B17R2.5121 Cc1ccncc1SCc2cccnc2C 62a_100000732876_100000761580 [0,2,0,0,0,0|2,0,0]=4 14860 B17R2.5121 Cc1ccncc1SCc2cccnc2C 62a_100000761580_100000732876 [0,2,0,0,0,0|2,0,0]=4 14861 B17R2.5121 Cc1ccncc1SCc2cccnc2Cl 62a_100000045678_100000761580 [0,2,0,0,0,0|2,0,0]=4 14862 B17R2.5121 Cc1ccncc1SCc2cccnc2Cl 62a_100000761580_100000045678 [0,2,0,0,0,0|2,0,0]=4 14863 B17R2.5121 Cc1ccncc1SCc2cccnc2F 62a_100000099810_100000761580 [0,2,0,0,0,0|2,0,0]=4 14864 B17R2.5121 Cc1ccncc1SCc2cccnc2F 62a_100000761580_100000099810 [0,2,0,0,0,0|2,0,0]=4 14865 B17R2.5121 Cc1ccnnc1NCc2cccnc2Br 27a_100009818023_100000089043 [0,2,0,0,0,0|2,0,0]=4 14866 B17R2.5121 Cc1ccnnc1NCc2cccnc2Cl 27a_100015189234_100000089043 [0,2,0,0,0,0|2,0,0]=4 14867 B17R2.5121 Cc1ccnnc1NCc2cccnc2F 27a_100000724633_100000089043 [0,2,0,0,0,0|2,0,0]=4 14868 B17R2.5121 Cc1cnccc1CNc2ccccc2Br 34a_100000210017_100020672809 [0,2,0,0,0,0|2,0,0]=4 14869 B17R2.5121 Cc1cnccc1CNc2ccccc2C 34a_100015192222_100020672809 [0,2,0,0,0,0|2,0,0]=4 14870 B17R2.5121 Cc1cnccc1CNc2ccccc2Cl 34a_100000185783_100020672809 [0,2,0,0,0,0|2,0,0]=4 14871 B17R2.5121 Cc1cnccc1CNc2ccccc2F 34a_100000210422_100020672809 [0,2,0,0,0,0|2,0,0]=4 14872 B17R2.5121 Cc1cnccc1CNc2ccccc2I 34a_100000210053_100020672809 [0,2,0,0,0,0|2,0,0]=4 14873 B17R2.5121 Cc1cnccc1CNc2ccccc2O 34a_100000185747_100020672809 [0,2,0,0,0,0|2,0,0]=4 14874 B17R2.5121 Cc1cnccc1NCc2ccccc2Br 27a_100000689332_100000765111 [0,2,0,0,0,0|2,0,0]=4 14875 B17R2.5121 Cc1cnccc1NCc2ccccc2Cl 27a_100000174879_100000765111 [0,2,0,0,0,0|2,0,0]=4 14876 B17R2.5121 Cc1cnccc1NCc2ccccc2F 27a_100000174869_100000765111 [0,2,0,0,0,0|2,0,0]=4 14877 B17R2.5121 Cc1cnccc1NCc2ccccc2I 27a_100015347259_100000765111 [0,2,0,0,0,0|2,0,0]=4 14878 B17R2.5121 Cc1cnccc1NCc2ccccc2O 27a_100000185550_100000765111 [0,2,0,0,0,0|2,0,0]=4 14879 B17R2.5121 Cc1cnccc1NCc2cccnc2Br 27a_100009818023_100000765111 [0,2,0,0,0,0|1,0,0]=3 14880 B17R2.5121 Cc1cnccc1NCc2cccnc2Cl 27a_100015189234_100000765111 [0,2,0,0,0,0|1,0,0]=3 14881 B17R2.5121 Cc1cnccc1NCc2cccnc2F 27a_100000724633_100000765111 [0,2,0,0,0,0|1,0,0]=3 14882 B17R2.5121 Cc1cnccc1NCc2nccnc2C 27a_100020641712_100000765111 [0,2,0,0,0,0|2,0,0]=4 14883 B17R2.5121 Cc1cnccc1NCc2nccnc2Cl 27a_100000729963_100000765111 [0,2,0,0,0,0|2,0,0]=4 14884 B17R2.5121 Cc1cnccc1OCc2cccnc2Br 34a_100000694293_100010140945 [0,2,0,0,0,0|2,0,0]=4 14885 B17R2.5121 Cc1cnccc1OCc2cccnc2C 34a_100000694293_100000732876 [0,2,0,0,0,0|2,0,0]=4 14886 B17R2.5121 Cc1cnccc1OCc2cccnc2Cl 34a_100000694293_100000045678 [0,2,0,0,0,0|2,0,0]=4 14887 B17R2.5121 Cc1cnccc1OCc2cccnc2F 34a_100000694293_100000099810 [0,2,0,0,0,0|2,0,0]=4 14888 B17R2.5121 Cc1cnccc1SCc2cccnc2Br 62a_100000765111_100010140945 [0,2,0,0,0,0|2,0,0]=4 14889 B17R2.5121 Cc1cnccc1SCc2cccnc2Br 62a_100010140945_100000765111 [0,2,0,0,0,0|2,0,0]=4 14890 B17R2.5121 Cc1cnccc1SCc2cccnc2C 62a_100000732876_100000765111 [0,2,0,0,0,0|2,0,0]=4 14891 B17R2.5121 Cc1cnccc1SCc2cccnc2C 62a_100000765111_100000732876 [0,2,0,0,0,0|2,0,0]=4 14892 B17R2.5121 Cc1cnccc1SCc2cccnc2Cl 62a_100000045678_100000765111 [0,2,0,0,0,0|2,0,0]=4 14893 B17R2.5121 Cc1cnccc1SCc2cccnc2Cl 62a_100000765111_100000045678 [0,2,0,0,0,0|2,0,0]=4 14894 B17R2.5121 Cc1cnccc1SCc2cccnc2F 62a_100000099810_100000765111 [0,2,0,0,0,0|2,0,0]=4 14895 B17R2.5121 Cc1cnccc1SCc2cccnc2F 62a_100000765111_100000099810 [0,2,0,0,0,0|2,0,0]=4 14896 B17R2.5121 Cc1cncnc1NCc2cccnc2Br 27a_100009818023_100011998708 [0,2,0,0,0,0|2,0,0]=4 14897 B17R2.5121 Cc1cncnc1NCc2cccnc2Cl 27a_100015189234_100011998708 [0,2,0,0,0,0|2,0,0]=4 14898 B17R2.5121 Cc1cncnc1NCc2cccnc2F 27a_100000724633_100011998708 [0,2,0,0,0,0|2,0,0]=4 14899 B17R2.5121 Cc1ncccc1C=Cc2ccccc2F 271570a_200102527919_100000751574 [0,2,0,0,0,0|1,0,1]=4 14900 B17R2.5121 Cc1ncccc1CNc2ccccc2Br 207a_100000210017_100000751968 [0,2,0,0,0,0|0,0,0]=2 14901 B17R2.5121 Cc1ncccc1CNc2ccccc2Br 34a_100000210017_100000732876 [0,2,0,0,0,0|0,0,0]=2 14902 B17R2.5121 Cc1ncccc1CNc2ccccc2Cl 207a_100000185783_100000751968 [0,2,0,0,0,0|0,0,0]=2 14903 B17R2.5121 Cc1ncccc1CNc2ccccc2Cl 34a_100000185783_100000732876 [0,2,0,0,0,0|0,0,0]=2 14904 B17R2.5121 Cc1ncccc1CNc2ccccc2F 207a_100000210422_100000751968 [0,2,0,0,0,0|0,0,0]=2 14905 B17R2.5121 Cc1ncccc1CNc2ccccc2F 34a_100000210422_100000732876 [0,2,0,0,0,0|0,0,0]=2 14906 B17R2.5121 Cc1ncccc1CNc2ccccc2I 207a_100000210053_100000751968 [0,2,0,0,0,0|0,0,0]=2 14907 B17R2.5121 Cc1ncccc1CNc2ccccc2I 34a_100000210053_100000732876 [0,2,0,0,0,0|0,0,0]=2 14908 B17R2.5121 Cc1ncccc1CNc2ccccc2O 34a_100000185747_100000732876 [0,2,0,0,0,0|0,0,0]=2 14909 B17R2.5121 Cc1ncccc1COc2cccc[n+]2[O-] 7a_100000211761_100000732876 [0,2,0,0,0,0|2,0,0]=4 14910 B17R2.5121 Cc1ncccc1COc2ccccc2Br 34a_100000181306_100000732876 [0,2,0,0,0,0|1,0,0]=3 14911 B17R2.5121 Cc1ncccc1COc2ccccc2Br 7a_100000181306_100000732876 [0,2,0,0,0,0|1,0,0]=3 14912 B17R2.5121 Cc1ncccc1COc2ccccc2Cl 34a_100000210172_100000732876 [0,2,0,0,0,0|1,0,0]=3 14913 B17R2.5121 Cc1ncccc1COc2ccccc2Cl 7a_100000210172_100000732876 [0,2,0,0,0,0|1,0,0]=3 14914 B17R2.5121 Cc1ncccc1COc2ccccc2F 34a_100000210171_100000732876 [0,2,0,0,0,0|1,0,0]=3 14915 B17R2.5121 Cc1ncccc1COc2ccccc2F 7a_100000210171_100000732876 [0,2,0,0,0,0|1,0,0]=3 14916 B17R2.5121 Cc1ncccc1COc2ccccc2I 34a_100000739446_100000732876 [0,2,0,0,0,0|1,0,0]=3 14917 B17R2.5121 Cc1ncccc1COc2ccccc2I 7a_100000739446_100000732876 [0,2,0,0,0,0|1,0,0]=3 14918 B17R2.5121 Cc1ncccc1COc2ccccc2N 34a_100000185747_100000732876 [0,2,0,0,0,0|1,0,0]=3 14919 B17R2.5121 Cc1ncccc1COc2ccccc2N 7a_100000185747_100000732876 [0,2,0,0,0,0|1,0,0]=3 14920 B17R2.5121 Cc1ncccc1COc2cccnc2Br 34a_100000744436_100000732876 [0,2,0,0,0,0|2,0,0]=4 14921 B17R2.5121 Cc1ncccc1COc2cccnc2Br 7a_100000744436_100000732876 [0,2,0,0,0,0|2,0,0]=4 14922 B17R2.5121 Cc1ncccc1COc2cccnc2C 34a_100000745507_100000732876 [0,2,0,0,0,0|2,0,0]=4 14923 B17R2.5121 Cc1ncccc1COc2cccnc2C 7a_100000745507_100000732876 [0,2,0,0,0,0|2,0,0]=4 14924 B17R2.5121 Cc1ncccc1COc2cccnc2Cl 34a_100000757616_100000732876 [0,2,0,0,0,0|2,0,0]=4 14925 B17R2.5121 Cc1ncccc1COc2cccnc2Cl 7a_100000757616_100000732876 [0,2,0,0,0,0|2,0,0]=4 14926 B17R2.5121 Cc1ncccc1COc2cccnc2F 34a_100000061740_100000732876 [0,2,0,0,0,0|2,0,0]=4 14927 B17R2.5121 Cc1ncccc1COc2cccnc2F 7a_100000061740_100000732876 [0,2,0,0,0,0|2,0,0]=4 14928 B17R2.5121 Cc1ncccc1COc2cccnc2I 34a_100000034122_100000732876 [0,2,0,0,0,0|2,0,0]=4 14929 B17R2.5121 Cc1ncccc1COc2cccnc2I 7a_100000034122_100000732876 [0,2,0,0,0,0|2,0,0]=4 14930 B17R2.5121 Cc1ncccc1COc2cccnc2N 34a_100000211975_100000732876 [0,2,0,0,0,0|2,0,0]=4 14931 B17R2.5121 Cc1ncccc1COc2cccnc2N 7a_100000211975_100000732876 [0,2,0,0,0,0|2,0,0]=4 14932 B17R2.5121 Cc1ncccc1COc2cccoc2=O 34a_100000077404_100000732876 [0,2,0,0,0,0|2,0,0]=4 14933 B17R2.5121 Cc1ncccc1COc2cccoc2=O 7a_100000077404_100000732876 [0,2,0,0,0,0|2,0,0]=4 14934 B17R2.5121 Cc1ncccc1COc2ccncc2Br 34a_100011996408_100000732876 [0,2,0,0,0,0|2,0,0]=4 14935 B17R2.5121 Cc1ncccc1COc2ccncc2Cl 34a_100011997054_100000732876 [0,2,0,0,0,0|2,0,0]=4 14936 B17R2.5121 Cc1ncccc1COc2ccncc2F 34a_200000081243_100000732876 [0,2,0,0,0,0|2,0,0]=4 14937 B17R2.5121 Cc1ncccc1COc2cnccc2Cl 34a_100011996695_100000732876 [0,2,0,0,0,0|2,0,0]=4 14938 B17R2.5121 Cc1ncccc1COc2cnccc2I 34a_100000050107_100000732876 [0,2,0,0,0,0|2,0,0]=4 14939 B17R2.5121 Cc1ncccc1COc2cnccc2N 34a_100000753702_100000732876 [0,2,0,0,0,0|2,0,0]=4 14940 B17R2.5121 Cc1ncccc1COc2coccc2=O 34a_100000060831_100000732876 [0,2,0,0,0,0|2,0,0]=4 14941 B17R2.5121 Cc1ncccc1COc2ncccc2Cl 34a_100011290957_100000732876 [0,2,0,0,0,0|2,0,0]=4 14942 B17R2.5121 Cc1ncccc1COc2ncccc2F 34a_100011219419_100000732876 [0,2,0,0,0,0|2,0,0]=4 14943 B17R2.5121 Cc1ncccc1COc2ncccc2N 34a_100000746358_100000732876 [0,2,0,0,0,0|2,0,0]=4 14944 B17R2.5121 Cc1ncccc1CSc2c[nH]ccc2=O 62a_100000732876_100009998708 [0,2,0,0,0,0|2,0,0]=4 14945 B17R2.5121 Cc1ncccc1CSc2c[nH]ccc2=O 62a_100009998708_100000732876 [0,2,0,0,0,0|2,0,0]=4 14946 B17R2.5121 Cc1ncccc1CSc2c[nH]ccc2=S 62a_100000732876_200012280681 [0,2,0,0,0,0|2,0,0]=4 14947 B17R2.5121 Cc1ncccc1CSc2c[nH]ccc2=S 62a_200012280681_100000732876 [0,2,0,0,0,0|2,0,0]=4 14948 B17R2.5121 Cc1ncccc1CSc2cccc[n+]2C 62a_100000732876_100000212160 [0,2,0,0,0,0|2,0,0]=4 14949 B17R2.5121 Cc1ncccc1CSc2cccc[n+]2[O-] 62a_100000732876_200000042595 [0,2,0,0,0,0|2,0,0]=4 14950 B17R2.5121 Cc1ncccc1CSc2ccccc2Br 62a_100000695589_100000732876 [0,2,0,0,0,0|1,0,0]=3 14951 B17R2.5121 Cc1ncccc1CSc2ccccc2Br 62a_100000732876_100000695589 [0,2,0,0,0,0|1,0,0]=3 14952 B17R2.5121 Cc1ncccc1CSc2ccccc2Cl 62a_100000732876_100000764095 [0,2,0,0,0,0|1,0,0]=3 14953 B17R2.5121 Cc1ncccc1CSc2ccccc2Cl 62a_100000764095_100000732876 [0,2,0,0,0,0|1,0,0]=3 14954 B17R2.5121 Cc1ncccc1CSc2ccccc2F 62a_100000732876_100011215700 [0,2,0,0,0,0|1,0,0]=3 14955 B17R2.5121 Cc1ncccc1CSc2ccccc2F 62a_100011215700_100000732876 [0,2,0,0,0,0|1,0,0]=3 14956 B17R2.5121 Cc1ncccc1CSc2ccccc2N 62a_100000210017_100000732876 [0,2,0,0,0,0|1,0,0]=3 14957 B17R2.5121 Cc1ncccc1CSc2ccccc2N 62a_100000732876_100000210017 [0,2,0,0,0,0|1,0,0]=3 14958 B17R2.5121 Cc1ncccc1CSc2ccccc2O 62a_100000732876_100000739446 [0,2,0,0,0,0|1,0,0]=3 14959 B17R2.5121 Cc1ncccc1CSc2ccccc2O 62a_100000739446_100000732876 [0,2,0,0,0,0|1,0,0]=3 14960 B17R2.5121 Cc1ncccc1CSc2cccnc2Br 62a_100000732876_100010202626 [0,2,0,0,0,0|2,0,0]=4 14961 B17R2.5121 Cc1ncccc1CSc2cccnc2Br 62a_100010202626_100000732876 [0,2,0,0,0,0|2,0,0]=4 14962 B17R2.5121 Cc1ncccc1CSc2cccnc2C 62a_100000732876_100000751574 [0,2,0,0,0,0|2,0,0]=4 14963 B17R2.5121 Cc1ncccc1CSc2cccnc2C 62a_100000751574_100000732876 [0,2,0,0,0,0|2,0,0]=4 14964 B17R2.5121 Cc1ncccc1CSc2cccnc2Cl 62a_100000036424_100000732876 [0,2,0,0,0,0|2,0,0]=4 14965 B17R2.5121 Cc1ncccc1CSc2cccnc2Cl 62a_100000732876_100000036424 [0,2,0,0,0,0|2,0,0]=4 14966 B17R2.5121 Cc1ncccc1CSc2cccnc2F 62a_100000732876_100009816115 [0,2,0,0,0,0|2,0,0]=4 14967 B17R2.5121 Cc1ncccc1CSc2cccnc2F 62a_100009816115_100000732876 [0,2,0,0,0,0|2,0,0]=4 14968 B17R2.5121 Cc1ncccc1CSc2cccnc2N 62a_100000045569_100000732876 [0,2,0,0,0,0|2,0,0]=4 14969 B17R2.5121 Cc1ncccc1CSc2cccnc2N 62a_100000732876_100000045569 [0,2,0,0,0,0|2,0,0]=4 14970 B17R2.5121 Cc1ncccc1CSc2cccnc2O 62a_100000732876_100000760158 [0,2,0,0,0,0|2,0,0]=4 14971 B17R2.5121 Cc1ncccc1CSc2cccnc2O 62a_100000760158_100000732876 [0,2,0,0,0,0|2,0,0]=4 14972 B17R2.5121 Cc1ncccc1CSc2ccncc2Br 62a_100000726257_100000732876 [0,2,0,0,0,0|2,0,0]=4 14973 B17R2.5121 Cc1ncccc1CSc2ccncc2Br 62a_100000732876_100000726257 [0,2,0,0,0,0|2,0,0]=4 14974 B17R2.5121 Cc1ncccc1CSc2ccncc2Cl 62a_100000708259_100000732876 [0,2,0,0,0,0|2,0,0]=4 14975 B17R2.5121 Cc1ncccc1CSc2ccncc2Cl 62a_100000732876_100000708259 [0,2,0,0,0,0|2,0,0]=4 14976 B17R2.5121 Cc1ncccc1CSc2ccncc2F 62a_100000047030_100000732876 [0,2,0,0,0,0|2,0,0]=4 14977 B17R2.5121 Cc1ncccc1CSc2ccncc2F 62a_100000732876_100000047030 [0,2,0,0,0,0|2,0,0]=4 14978 B17R2.5121 Cc1ncccc1CSc2ccncc2N 62a_100000732876_100000756074 [0,2,0,0,0,0|2,0,0]=4 14979 B17R2.5121 Cc1ncccc1CSc2ccncc2N 62a_100000756074_100000732876 [0,2,0,0,0,0|2,0,0]=4 14980 B17R2.5121 Cc1ncccc1CSc2ccncc2O 62a_100000732876_100009817591 [0,2,0,0,0,0|2,0,0]=4 14981 B17R2.5121 Cc1ncccc1CSc2ccncc2O 62a_100009817591_100000732876 [0,2,0,0,0,0|2,0,0]=4 14982 B17R2.5121 Cc1ncccc1CSc2cnccc2Br 62a_100000732876_100010138639 [0,2,0,0,0,0|2,0,0]=4 14983 B17R2.5121 Cc1ncccc1CSc2cnccc2Br 62a_100010138639_100000732876 [0,2,0,0,0,0|2,0,0]=4 14984 B17R2.5121 Cc1ncccc1CSc2cnccc2Cl 62a_100000732876_100009995489 [0,2,0,0,0,0|2,0,0]=4 14985 B17R2.5121 Cc1ncccc1CSc2cnccc2Cl 62a_100009995489_100000732876 [0,2,0,0,0,0|2,0,0]=4 14986 B17R2.5121 Cc1ncccc1CSc2cnccc2F 62a_100000732876_100009820683 [0,2,0,0,0,0|2,0,0]=4 14987 B17R2.5121 Cc1ncccc1CSc2cnccc2F 62a_100009820683_100000732876 [0,2,0,0,0,0|2,0,0]=4 14988 B17R2.5121 Cc1ncccc1CSc2cnccc2N 62a_100000047001_100000732876 [0,2,0,0,0,0|2,0,0]=4 14989 B17R2.5121 Cc1ncccc1CSc2cnccc2N 62a_100000732876_100000047001 [0,2,0,0,0,0|2,0,0]=4 14990 B17R2.5121 Cc1ncccc1CSc2ncccc2Br 62a_100000696092_100000732876 [0,2,0,0,0,0|2,0,0]=4 14991 B17R2.5121 Cc1ncccc1CSc2ncccc2Br 62a_100000732876_100000696092 [0,2,0,0,0,0|2,0,0]=4 14992 B17R2.5121 Cc1ncccc1CSc2ncccc2Cl 62a_100000732876_100011356963 [0,2,0,0,0,0|2,0,0]=4 14993 B17R2.5121 Cc1ncccc1CSc2ncccc2Cl 62a_100011356963_100000732876 [0,2,0,0,0,0|2,0,0]=4 14994 B17R2.5121 Cc1ncccc1CSc2ncccc2F 62a_100000685392_100000732876 [0,2,0,0,0,0|2,0,0]=4 14995 B17R2.5121 Cc1ncccc1CSc2ncccc2F 62a_100000732876_100000685392 [0,2,0,0,0,0|2,0,0]=4 14996 B17R2.5121 Cc1ncccc1CSc2ncccc2N 62a_100000688686_100000732876 [0,2,0,0,0,0|2,0,0]=4 14997 B17R2.5121 Cc1ncccc1CSc2ncccc2N 62a_100000732876_100000688686 [0,2,0,0,0,0|2,0,0]=4 14998 B17R2.5121 Cc1ncccc1CSc2ncccc2O 62a_100000034122_100000732876 [0,2,0,0,0,0|2,0,0]=4 14999 B17R2.5121 Cc1ncccc1CSc2ncccc2O 62a_100000732876_100000034122 [0,2,0,0,0,0|2,0,0]=4 15000 B17R2.5121 Cc1ncccc1OCc2ccccc2Br 34a_100000745507_100000184730 [0,2,0,0,0,0|2,0,0]=4 15001 B17R2.5121 Cc1ncccc1OCc2ccccc2Br 7a_100000745507_100000184730 [0,2,0,0,0,0|2,0,0]=4 15002 B17R2.5121 Cc1ncccc1OCc2ccccc2Cl 34a_100000745507_100000187162 [0,2,0,0,0,0|2,0,0]=4 15003 B17R2.5121 Cc1ncccc1OCc2ccccc2Cl 7a_100000745507_100000187162 [0,2,0,0,0,0|2,0,0]=4 15004 B17R2.5121 Cc1ncccc1OCc2ccccc2F 34a_100000745507_100000211605 [0,2,0,0,0,0|2,0,0]=4 15005 B17R2.5121 Cc1ncccc1OCc2ccccc2F 7a_100000745507_100000211605 [0,2,0,0,0,0|2,0,0]=4 15006 B17R2.5121 Cc1ncccc1OCc2ccccc2I 34a_100000745507_100011215278 [0,2,0,0,0,0|2,0,0]=4 15007 B17R2.5121 Cc1ncccc1OCc2ccccc2I 7a_100000745507_100011215278 [0,2,0,0,0,0|2,0,0]=4 15008 B17R2.5121 Cc1ncccc1OCc2cccnc2Br 34a_100000745507_100010140945 [0,2,0,0,0,0|2,0,0]=4 15009 B17R2.5121 Cc1ncccc1OCc2cccnc2Br 7a_100000745507_100010140945 [0,2,0,0,0,0|2,0,0]=4 15010 B17R2.5121 Cc1ncccc1OCc2cccnc2Cl 34a_100000745507_100000045678 [0,2,0,0,0,0|2,0,0]=4 15011 B17R2.5121 Cc1ncccc1OCc2cccnc2Cl 7a_100000745507_100000045678 [0,2,0,0,0,0|2,0,0]=4 15012 B17R2.5121 Cc1ncccc1OCc2cccnc2F 34a_100000745507_100000099810 [0,2,0,0,0,0|2,0,0]=4 15013 B17R2.5121 Cc1ncccc1OCc2cccnc2F 7a_100000745507_100000099810 [0,2,0,0,0,0|2,0,0]=4 15014 B17R2.5121 Cc1ncccc1SCc2ccccc2Br 62a_100000184730_100000751574 [0,2,0,0,0,0|2,0,0]=4 15015 B17R2.5121 Cc1ncccc1SCc2ccccc2Br 62a_100000751574_100000184730 [0,2,0,0,0,0|2,0,0]=4 15016 B17R2.5121 Cc1ncccc1SCc2ccccc2Cl 62a_100000187162_100000751574 [0,2,0,0,0,0|2,0,0]=4 15017 B17R2.5121 Cc1ncccc1SCc2ccccc2Cl 62a_100000751574_100000187162 [0,2,0,0,0,0|2,0,0]=4 15018 B17R2.5121 Cc1ncccc1SCc2ccccc2F 62a_100000211605_100000751574 [0,2,0,0,0,0|2,0,0]=4 15019 B17R2.5121 Cc1ncccc1SCc2ccccc2F 62a_100000751574_100000211605 [0,2,0,0,0,0|2,0,0]=4 15020 B17R2.5121 Cc1ncccc1SCc2ccccc2I 62a_100000751574_100011216222 [0,2,0,0,0,0|2,0,0]=4 15021 B17R2.5121 Cc1ncccc1SCc2ccccc2I 62a_100011216222_100000751574 [0,2,0,0,0,0|2,0,0]=4 15022 B17R2.5121 Cc1ncccc1SCc2cccnc2Br 62a_100000751574_100010140945 [0,2,0,0,0,0|2,0,0]=4 15023 B17R2.5121 Cc1ncccc1SCc2cccnc2Br 62a_100010140945_100000751574 [0,2,0,0,0,0|2,0,0]=4 15024 B17R2.5121 Cc1ncccc1SCc2cccnc2Cl 62a_100000045678_100000751574 [0,2,0,0,0,0|2,0,0]=4 15025 B17R2.5121 Cc1ncccc1SCc2cccnc2Cl 62a_100000751574_100000045678 [0,2,0,0,0,0|2,0,0]=4 15026 B17R2.5121 Cc1ncccc1SCc2cccnc2F 62a_100000099810_100000751574 [0,2,0,0,0,0|2,0,0]=4 15027 B17R2.5121 Cc1ncccc1SCc2cccnc2F 62a_100000751574_100000099810 [0,2,0,0,0,0|2,0,0]=4 15028 B17R2.5121 Cc1nccnc1CNc2ccncc2Br 27a_100020641712_100000726257 [0,2,0,0,0,0|2,0,0]=4 15029 B17R2.5121 Cc1nccnc1CNc2ccncc2F 27a_100020641712_100000035921 [0,2,0,0,0,0|2,0,0]=4 15030 B17R2.5121 Cc1nccnc1CNc2ncccc2Br 27a_100020641712_100000696092 [0,2,0,0,0,0|2,0,0]=4 15031 B17R2.5121 Cc1nccnc1NCc2cccnc2Br 27a_100009818023_100011999405 [0,2,0,0,0,0|2,0,0]=4 15032 B17R2.5121 Cc1nccnc1NCc2cccnc2Cl 27a_100015189234_100011999405 [0,2,0,0,0,0|2,0,0]=4 15033 B17R2.5121 Cc1nccnc1NCc2cccnc2F 27a_100000724633_100011999405 [0,2,0,0,0,0|2,0,0]=4 15034 B17R2.5121 Clc1ccccc1CNc2ccccc2Br 207a_100000210017_100000210073 [0,2,0,0,0,0|1,0,0]=3 15035 B17R2.5121 Clc1ccccc1CNc2ccccc2Br 34a_100000210017_100000187162 [0,2,0,0,0,0|1,0,0]=3 15036 B17R2.5121 Clc1ccccc1CNc2ccccc2Cl 207a_100000185783_100000210073 [0,2,0,0,0,0|1,0,0]=3 15037 B17R2.5121 Clc1ccccc1CNc2ccccc2Cl 34a_100000185783_100000187162 [0,2,0,0,0,0|1,0,0]=3 15038 B17R2.5121 Clc1ccccc1CNc2ccccc2I 207a_100000210053_100000210073 [0,2,0,0,0,0|1,0,0]=3 15039 B17R2.5121 Clc1ccccc1CNc2ccccc2I 34a_100000210053_100000187162 [0,2,0,0,0,0|1,0,0]=3 15040 B17R2.5121 Clc1ccccc1CNc2ccncc2Br 27a_100000174879_100000726257 [0,2,0,0,0,0|2,0,0]=4 15041 B17R2.5121 Clc1ccccc1CNc2ncccc2Br 27a_100000174879_100000696092 [0,2,0,0,0,0|2,0,0]=4 15042 B17R2.5121 Clc1ccccc1COc2ccccc2Br 34a_100000181306_100000187162 [0,2,0,0,0,0|2,0,0]=4 15043 B17R2.5121 Clc1ccccc1COc2ccccc2Br 7a_100000181306_100000187162 [0,2,0,0,0,0|2,0,0]=4 15044 B17R2.5121 Clc1ccccc1COc2ccccc2Cl 34a_100000210172_100000187162 [0,2,0,0,0,0|2,0,0]=4 15045 B17R2.5121 Clc1ccccc1COc2ccccc2Cl 7a_100000210172_100000187162 [0,2,0,0,0,0|2,0,0]=4 15046 B17R2.5121 Clc1ccccc1COc2ccccc2I 34a_100000739446_100000187162 [0,2,0,0,0,0|2,0,0]=4 15047 B17R2.5121 Clc1ccccc1COc2ccccc2I 7a_100000739446_100000187162 [0,2,0,0,0,0|2,0,0]=4 15048 B17R2.5121 Clc1ccccc1COc2cccnc2Br 34a_100000744436_100000187162 [0,2,0,0,0,0|2,0,0]=4 15049 B17R2.5121 Clc1ccccc1COc2cccnc2Br 7a_100000744436_100000187162 [0,2,0,0,0,0|2,0,0]=4 15050 B17R2.5121 Clc1ccccc1COc2cccnc2Cl 34a_100000757616_100000187162 [0,2,0,0,0,0|2,0,0]=4 15051 B17R2.5121 Clc1ccccc1COc2cccnc2Cl 7a_100000757616_100000187162 [0,2,0,0,0,0|2,0,0]=4 15052 B17R2.5121 Clc1ccccc1COc2cccnc2I 34a_100000034122_100000187162 [0,2,0,0,0,0|2,0,0]=4 15053 B17R2.5121 Clc1ccccc1COc2cccnc2I 7a_100000034122_100000187162 [0,2,0,0,0,0|2,0,0]=4 15054 B17R2.5121 Clc1ccccc1COc2cnccc2Cl 34a_100011996695_100000187162 [0,2,0,0,0,0|2,0,0]=4 15055 B17R2.5121 Clc1ccccc1COc2cnccc2I 34a_100000050107_100000187162 [0,2,0,0,0,0|2,0,0]=4 15056 B17R2.5121 Clc1ccccc1CSc2ccccc2Br 62a_100000187162_100000695589 [0,2,0,0,0,0|2,0,0]=4 15057 B17R2.5121 Clc1ccccc1CSc2ccccc2Br 62a_100000695589_100000187162 [0,2,0,0,0,0|2,0,0]=4 15058 B17R2.5121 Clc1ccccc1CSc2ccccc2Cl 62a_100000187162_100000764095 [0,2,0,0,0,0|2,0,0]=4 15059 B17R2.5121 Clc1ccccc1CSc2ccccc2Cl 62a_100000764095_100000187162 [0,2,0,0,0,0|2,0,0]=4 15060 B17R2.5121 Clc1ccccc1CSc2cccnc2Br 62a_100000187162_100010202626 [0,2,0,0,0,0|2,0,0]=4 15061 B17R2.5121 Clc1ccccc1CSc2cccnc2Br 62a_100010202626_100000187162 [0,2,0,0,0,0|2,0,0]=4 15062 B17R2.5121 Clc1ccccc1CSc2cccnc2Cl 62a_100000036424_100000187162 [0,2,0,0,0,0|2,0,0]=4 15063 B17R2.5121 Clc1ccccc1CSc2cccnc2Cl 62a_100000187162_100000036424 [0,2,0,0,0,0|2,0,0]=4 15064 B17R2.5121 Clc1ccccc1CSc2cnccc2Br 62a_100000187162_100010138639 [0,2,0,0,0,0|2,0,0]=4 15065 B17R2.5121 Clc1ccccc1CSc2cnccc2Br 62a_100010138639_100000187162 [0,2,0,0,0,0|2,0,0]=4 15066 B17R2.5121 Clc1ccccc1CSc2cnccc2Cl 62a_100000187162_100009995489 [0,2,0,0,0,0|2,0,0]=4 15067 B17R2.5121 Clc1ccccc1CSc2cnccc2Cl 62a_100009995489_100000187162 [0,2,0,0,0,0|2,0,0]=4 15068 B17R2.5121 Clc1ccccc1NCc2ccccc2Br 207a_100000185783_100000211189 [0,2,0,0,0,0|1,0,0]=3 15069 B17R2.5121 Clc1ccccc1NCc2ccccc2Br 34a_100000185783_100000184730 [0,2,0,0,0,0|1,0,0]=3 15070 B17R2.5121 Clc1ccccc1NCc2ccccc2I 207a_100000185783_100000010305 [0,2,0,0,0,0|1,0,0]=3 15071 B17R2.5121 Clc1ccccc1NCc2ccccc2I 34a_100000185783_100011215278 [0,2,0,0,0,0|1,0,0]=3 15072 B17R2.5121 Clc1ccccc1NCc2cccnc2Br 34a_100000185783_100010140945 [0,2,0,0,0,0|0,0,0]=2 15073 B17R2.5121 Clc1ccccc1NCc2cccnc2Cl 34a_100000185783_100000045678 [0,2,0,0,0,0|0,0,0]=2 15074 B17R2.5121 Clc1ccccc1NCc2ncccc2Br 207a_100000185783_100011934733 [0,2,0,0,0,0|2,0,0]=4 15075 B17R2.5121 Clc1ccccc1NCc2ncccc2Br 34a_100000185783_100025702911 [0,2,0,0,0,0|2,0,0]=4 15076 B17R2.5121 Clc1ccccc1NCc2ncccc2Cl 207a_100000185783_100012001307 [0,2,0,0,0,0|2,0,0]=4 15077 B17R2.5121 Clc1ccccc1OCc2ccccc2Br 34a_100000210172_100000184730 [0,2,0,0,0,0|2,0,0]=4 15078 B17R2.5121 Clc1ccccc1OCc2ccccc2Br 7a_100000210172_100000184730 [0,2,0,0,0,0|2,0,0]=4 15079 B17R2.5121 Clc1ccccc1OCc2ccccc2I 34a_100000210172_100011215278 [0,2,0,0,0,0|2,0,0]=4 15080 B17R2.5121 Clc1ccccc1OCc2ccccc2I 7a_100000210172_100011215278 [0,2,0,0,0,0|2,0,0]=4 15081 B17R2.5121 Clc1ccccc1OCc2cccnc2Br 34a_100000210172_100010140945 [0,2,0,0,0,0|1,0,0]=3 15082 B17R2.5121 Clc1ccccc1OCc2cccnc2Br 7a_100000210172_100010140945 [0,2,0,0,0,0|1,0,0]=3 15083 B17R2.5121 Clc1ccccc1OCc2cccnc2Cl 34a_100000210172_100000045678 [0,2,0,0,0,0|1,0,0]=3 15084 B17R2.5121 Clc1ccccc1OCc2cccnc2Cl 7a_100000210172_100000045678 [0,2,0,0,0,0|1,0,0]=3 15085 B17R2.5121 Clc1ccccc1SCc2ccccc2Br 62a_100000184730_100000764095 [0,2,0,0,0,0|2,0,0]=4 15086 B17R2.5121 Clc1ccccc1SCc2ccccc2Br 62a_100000764095_100000184730 [0,2,0,0,0,0|2,0,0]=4 15087 B17R2.5121 Clc1ccccc1SCc2ccccc2I 62a_100000764095_100011216222 [0,2,0,0,0,0|2,0,0]=4 15088 B17R2.5121 Clc1ccccc1SCc2ccccc2I 62a_100011216222_100000764095 [0,2,0,0,0,0|2,0,0]=4 15089 B17R2.5121 Clc1ccccc1SCc2cccnc2Br 62a_100000764095_100010140945 [0,2,0,0,0,0|1,0,0]=3 15090 B17R2.5121 Clc1ccccc1SCc2cccnc2Br 62a_100010140945_100000764095 [0,2,0,0,0,0|1,0,0]=3 15091 B17R2.5121 Clc1ccccc1SCc2cccnc2Cl 62a_100000045678_100000764095 [0,2,0,0,0,0|1,0,0]=3 15092 B17R2.5121 Clc1ccccc1SCc2cccnc2Cl 62a_100000764095_100000045678 [0,2,0,0,0,0|1,0,0]=3 15093 B17R2.5121 Clc1cccnc1CNc2ccccc2Br 207a_100000210017_100012001307 [0,2,0,0,0,0|2,0,0]=4 15094 B17R2.5121 Clc1cccnc1CNc2ccccc2I 207a_100000210053_100012001307 [0,2,0,0,0,0|2,0,0]=4 15095 B17R2.5121 Clc1cccnc1OCc2cccnc2Br 34a_100011290957_100010140945 [0,2,0,0,0,0|2,0,0]=4 15096 B17R2.5121 Clc1cccnc1OCc2cccnc2Cl 34a_100011290957_100000045678 [0,2,0,0,0,0|2,0,0]=4 15097 B17R2.5121 Clc1cccnc1SCc2cccnc2Br 62a_100010140945_100011356963 [0,2,0,0,0,0|2,0,0]=4 15098 B17R2.5121 Clc1cccnc1SCc2cccnc2Br 62a_100011356963_100010140945 [0,2,0,0,0,0|2,0,0]=4 15099 B17R2.5121 Clc1cccnc1SCc2cccnc2Cl 62a_100000045678_100011356963 [0,2,0,0,0,0|2,0,0]=4 15100 B17R2.5121 Clc1cccnc1SCc2cccnc2Cl 62a_100011356963_100000045678 [0,2,0,0,0,0|2,0,0]=4 15101 B17R2.5121 Clc1ccncc1OCc2ccccc2Br 34a_100011996695_100000184730 [0,2,0,0,0,0|2,0,0]=4 15102 B17R2.5121 Clc1ccncc1OCc2ccccc2I 34a_100011996695_100011215278 [0,2,0,0,0,0|2,0,0]=4 15103 B17R2.5121 Clc1ccncc1OCc2cccnc2Br 34a_100011996695_100010140945 [0,2,0,0,0,0|2,0,0]=4 15104 B17R2.5121 Clc1ccncc1OCc2cccnc2Cl 34a_100011996695_100000045678 [0,2,0,0,0,0|2,0,0]=4 15105 B17R2.5121 Clc1ccncc1SCc2ccccc2Br 62a_100000184730_100009995489 [0,2,0,0,0,0|2,0,0]=4 15106 B17R2.5121 Clc1ccncc1SCc2ccccc2Br 62a_100009995489_100000184730 [0,2,0,0,0,0|2,0,0]=4 15107 B17R2.5121 Clc1ccncc1SCc2ccccc2I 62a_100009995489_100011216222 [0,2,0,0,0,0|2,0,0]=4 15108 B17R2.5121 Clc1ccncc1SCc2ccccc2I 62a_100011216222_100009995489 [0,2,0,0,0,0|2,0,0]=4 15109 B17R2.5121 Clc1ccncc1SCc2cccnc2Br 62a_100009995489_100010140945 [0,2,0,0,0,0|2,0,0]=4 15110 B17R2.5121 Clc1ccncc1SCc2cccnc2Br 62a_100010140945_100009995489 [0,2,0,0,0,0|2,0,0]=4 15111 B17R2.5121 Clc1ccncc1SCc2cccnc2Cl 62a_100000045678_100009995489 [0,2,0,0,0,0|2,0,0]=4 15112 B17R2.5121 Clc1ccncc1SCc2cccnc2Cl 62a_100009995489_100000045678 [0,2,0,0,0,0|2,0,0]=4 15113 B17R2.5121 Clc1cnccc1CNc2ccccc2Br 207a_100000210017_100011934409 [0,2,0,0,0,0|2,0,0]=4 15114 B17R2.5121 Clc1cnccc1CNc2ccccc2Cl 207a_100000185783_100011934409 [0,2,0,0,0,0|2,0,0]=4 15115 B17R2.5121 Clc1cnccc1CNc2ccccc2I 207a_100000210053_100011934409 [0,2,0,0,0,0|2,0,0]=4 15116 B17R2.5121 Clc1cnccc1OCc2cccnc2Br 34a_100011997054_100010140945 [0,2,0,0,0,0|2,0,0]=4 15117 B17R2.5121 Clc1cnccc1OCc2cccnc2Cl 34a_100011997054_100000045678 [0,2,0,0,0,0|2,0,0]=4 15118 B17R2.5121 Clc1cnccc1SCc2cccnc2Br 62a_100000708259_100010140945 [0,2,0,0,0,0|2,0,0]=4 15119 B17R2.5121 Clc1cnccc1SCc2cccnc2Br 62a_100010140945_100000708259 [0,2,0,0,0,0|2,0,0]=4 15120 B17R2.5121 Clc1cnccc1SCc2cccnc2Cl 62a_100000045678_100000708259 [0,2,0,0,0,0|2,0,0]=4 15121 B17R2.5121 Clc1cnccc1SCc2cccnc2Cl 62a_100000708259_100000045678 [0,2,0,0,0,0|2,0,0]=4 15122 B17R2.5121 Clc1ncccc1CNc2ccccc2Br 34a_100000210017_100000045678 [0,2,0,0,0,0|0,0,0]=2 15123 B17R2.5121 Clc1ncccc1CNc2ccccc2I 34a_100000210053_100000045678 [0,2,0,0,0,0|0,0,0]=2 15124 B17R2.5121 Clc1ncccc1CNc2ccncc2Br 27a_100015189234_100000726257 [0,2,0,0,0,0|1,0,0]=3 15125 B17R2.5121 Clc1ncccc1CNc2ncccc2Br 27a_100015189234_100000696092 [0,2,0,0,0,0|1,0,0]=3 15126 B17R2.5121 Clc1ncccc1COc2ccccc2Br 34a_100000181306_100000045678 [0,2,0,0,0,0|1,0,0]=3 15127 B17R2.5121 Clc1ncccc1COc2ccccc2Br 7a_100000181306_100000045678 [0,2,0,0,0,0|1,0,0]=3 15128 B17R2.5121 Clc1ncccc1COc2ccccc2I 34a_100000739446_100000045678 [0,2,0,0,0,0|1,0,0]=3 15129 B17R2.5121 Clc1ncccc1COc2ccccc2I 7a_100000739446_100000045678 [0,2,0,0,0,0|1,0,0]=3 15130 B17R2.5121 Clc1ncccc1COc2cccnc2Br 34a_100000744436_100000045678 [0,2,0,0,0,0|2,0,0]=4 15131 B17R2.5121 Clc1ncccc1COc2cccnc2Br 7a_100000744436_100000045678 [0,2,0,0,0,0|2,0,0]=4 15132 B17R2.5121 Clc1ncccc1COc2cccnc2Cl 34a_100000757616_100000045678 [0,2,0,0,0,0|2,0,0]=4 15133 B17R2.5121 Clc1ncccc1COc2cccnc2Cl 7a_100000757616_100000045678 [0,2,0,0,0,0|2,0,0]=4 15134 B17R2.5121 Clc1ncccc1COc2cccnc2I 34a_100000034122_100000045678 [0,2,0,0,0,0|2,0,0]=4 15135 B17R2.5121 Clc1ncccc1COc2cccnc2I 7a_100000034122_100000045678 [0,2,0,0,0,0|2,0,0]=4 15136 B17R2.5121 Clc1ncccc1COc2ccncc2Br 34a_100011996408_100000045678 [0,2,0,0,0,0|2,0,0]=4 15137 B17R2.5121 Clc1ncccc1COc2cnccc2I 34a_100000050107_100000045678 [0,2,0,0,0,0|2,0,0]=4 15138 B17R2.5121 Clc1ncccc1CSc2ccccc2Br 62a_100000045678_100000695589 [0,2,0,0,0,0|1,0,0]=3 15139 B17R2.5121 Clc1ncccc1CSc2ccccc2Br 62a_100000695589_100000045678 [0,2,0,0,0,0|1,0,0]=3 15140 B17R2.5121 Clc1ncccc1CSc2cccnc2Br 62a_100000045678_100010202626 [0,2,0,0,0,0|2,0,0]=4 15141 B17R2.5121 Clc1ncccc1CSc2cccnc2Br 62a_100010202626_100000045678 [0,2,0,0,0,0|2,0,0]=4 15142 B17R2.5121 Clc1ncccc1CSc2cccnc2Cl 62a_100000036424_100000045678 [0,2,0,0,0,0|2,0,0]=4 15143 B17R2.5121 Clc1ncccc1CSc2cccnc2Cl 62a_100000045678_100000036424 [0,2,0,0,0,0|2,0,0]=4 15144 B17R2.5121 Clc1ncccc1CSc2ccncc2Br 62a_100000045678_100000726257 [0,2,0,0,0,0|2,0,0]=4 15145 B17R2.5121 Clc1ncccc1CSc2ccncc2Br 62a_100000726257_100000045678 [0,2,0,0,0,0|2,0,0]=4 15146 B17R2.5121 Clc1ncccc1CSc2cnccc2Br 62a_100000045678_100010138639 [0,2,0,0,0,0|2,0,0]=4 15147 B17R2.5121 Clc1ncccc1CSc2cnccc2Br 62a_100010138639_100000045678 [0,2,0,0,0,0|2,0,0]=4 15148 B17R2.5121 Clc1ncccc1CSc2ncccc2Br 62a_100000045678_100000696092 [0,2,0,0,0,0|2,0,0]=4 15149 B17R2.5121 Clc1ncccc1CSc2ncccc2Br 62a_100000696092_100000045678 [0,2,0,0,0,0|2,0,0]=4 15150 B17R2.5121 Clc1ncccc1OCc2ccccc2Br 34a_100000757616_100000184730 [0,2,0,0,0,0|2,0,0]=4 15151 B17R2.5121 Clc1ncccc1OCc2ccccc2Br 7a_100000757616_100000184730 [0,2,0,0,0,0|2,0,0]=4 15152 B17R2.5121 Clc1ncccc1OCc2ccccc2I 34a_100000757616_100011215278 [0,2,0,0,0,0|2,0,0]=4 15153 B17R2.5121 Clc1ncccc1OCc2ccccc2I 7a_100000757616_100011215278 [0,2,0,0,0,0|2,0,0]=4 15154 B17R2.5121 Clc1ncccc1OCc2cccnc2Br 34a_100000757616_100010140945 [0,2,0,0,0,0|2,0,0]=4 15155 B17R2.5121 Clc1ncccc1OCc2cccnc2Br 7a_100000757616_100010140945 [0,2,0,0,0,0|2,0,0]=4 15156 B17R2.5121 Clc1ncccc1SCc2ccccc2Br 62a_100000036424_100000184730 [0,2,0,0,0,0|2,0,0]=4 15157 B17R2.5121 Clc1ncccc1SCc2ccccc2Br 62a_100000184730_100000036424 [0,2,0,0,0,0|2,0,0]=4 15158 B17R2.5121 Clc1ncccc1SCc2ccccc2I 62a_100000036424_100011216222 [0,2,0,0,0,0|2,0,0]=4 15159 B17R2.5121 Clc1ncccc1SCc2ccccc2I 62a_100011216222_100000036424 [0,2,0,0,0,0|2,0,0]=4 15160 B17R2.5121 Clc1ncccc1SCc2cccnc2Br 62a_100000036424_100010140945 [0,2,0,0,0,0|2,0,0]=4 15161 B17R2.5121 Clc1ncccc1SCc2cccnc2Br 62a_100010140945_100000036424 [0,2,0,0,0,0|2,0,0]=4 15162 B17R2.5121 Clc1nccnc1CNc2ccncc2Br 27a_100000729963_100000726257 [0,2,0,0,0,0|2,0,0]=4 15163 B17R2.5121 Clc1nccnc1CNc2ncccc2Br 27a_100000729963_100000696092 [0,2,0,0,0,0|2,0,0]=4 15164 B17R2.5121 Fc1ccccc1C=Cc2cccnc2Br 271570a_200102527919_100010202626 [0,2,0,0,0,0|1,0,1]=4 15165 B17R2.5121 Fc1ccccc1C=Cc2cccnc2Cl 271570a_200102527919_100000036424 [0,2,0,0,0,0|1,0,1]=4 15166 B17R2.5121 Fc1ccccc1C=Cc2cccnc2F 271570a_200102527919_100009816115 [0,2,0,0,0,0|1,0,1]=4 15167 B17R2.5121 Fc1ccccc1C=Cc2cnccc2Br 271570a_200102527919_100010138639 [0,2,0,0,0,0|1,0,1]=4 15168 B17R2.5121 Fc1ccccc1C=Cc2cnccc2Cl 271570a_200102527919_100009995489 [0,2,0,0,0,0|1,0,1]=4 15169 B17R2.5121 Fc1ccccc1C=Cc2cnccc2F 271570a_200102527919_100009820683 [0,2,0,0,0,0|1,0,1]=4 15170 B17R2.5121 Fc1ccccc1CNc2ccccc2Br 207a_100000210017_100000210811 [0,2,0,0,0,0|1,0,0]=3 15171 B17R2.5121 Fc1ccccc1CNc2ccccc2Br 34a_100000210017_100000211605 [0,2,0,0,0,0|1,0,0]=3 15172 B17R2.5121 Fc1ccccc1CNc2ccccc2Cl 207a_100000185783_100000210811 [0,2,0,0,0,0|1,0,0]=3 15173 B17R2.5121 Fc1ccccc1CNc2ccccc2Cl 34a_100000185783_100000211605 [0,2,0,0,0,0|1,0,0]=3 15174 B17R2.5121 Fc1ccccc1CNc2ccccc2F 207a_100000210422_100000210811 [0,2,0,0,0,0|1,0,0]=3 15175 B17R2.5121 Fc1ccccc1CNc2ccccc2F 34a_100000210422_100000211605 [0,2,0,0,0,0|1,0,0]=3 15176 B17R2.5121 Fc1ccccc1CNc2ccccc2I 207a_100000210053_100000210811 [0,2,0,0,0,0|1,0,0]=3 15177 B17R2.5121 Fc1ccccc1CNc2ccccc2I 34a_100000210053_100000211605 [0,2,0,0,0,0|1,0,0]=3 15178 B17R2.5121 Fc1ccccc1CNc2ccncc2Br 27a_100000174869_100000726257 [0,2,0,0,0,0|2,0,0]=4 15179 B17R2.5121 Fc1ccccc1CNc2ccncc2F 27a_100000174869_100000035921 [0,2,0,0,0,0|2,0,0]=4 15180 B17R2.5121 Fc1ccccc1CNc2ncccc2Br 27a_100000174869_100000696092 [0,2,0,0,0,0|2,0,0]=4 15181 B17R2.5121 Fc1ccccc1COc2ccccc2Br 34a_100000181306_100000211605 [0,2,0,0,0,0|2,0,0]=4 15182 B17R2.5121 Fc1ccccc1COc2ccccc2Br 7a_100000181306_100000211605 [0,2,0,0,0,0|2,0,0]=4 15183 B17R2.5121 Fc1ccccc1COc2ccccc2Cl 34a_100000210172_100000211605 [0,2,0,0,0,0|2,0,0]=4 15184 B17R2.5121 Fc1ccccc1COc2ccccc2Cl 7a_100000210172_100000211605 [0,2,0,0,0,0|2,0,0]=4 15185 B17R2.5121 Fc1ccccc1COc2ccccc2F 34a_100000210171_100000211605 [0,2,0,0,0,0|2,0,0]=4 15186 B17R2.5121 Fc1ccccc1COc2ccccc2F 7a_100000210171_100000211605 [0,2,0,0,0,0|2,0,0]=4 15187 B17R2.5121 Fc1ccccc1COc2ccccc2I 34a_100000739446_100000211605 [0,2,0,0,0,0|2,0,0]=4 15188 B17R2.5121 Fc1ccccc1COc2ccccc2I 7a_100000739446_100000211605 [0,2,0,0,0,0|2,0,0]=4 15189 B17R2.5121 Fc1ccccc1COc2cccnc2Br 34a_100000744436_100000211605 [0,2,0,0,0,0|2,0,0]=4 15190 B17R2.5121 Fc1ccccc1COc2cccnc2Br 7a_100000744436_100000211605 [0,2,0,0,0,0|2,0,0]=4 15191 B17R2.5121 Fc1ccccc1COc2cccnc2Cl 34a_100000757616_100000211605 [0,2,0,0,0,0|2,0,0]=4 15192 B17R2.5121 Fc1ccccc1COc2cccnc2Cl 7a_100000757616_100000211605 [0,2,0,0,0,0|2,0,0]=4 15193 B17R2.5121 Fc1ccccc1COc2cccnc2F 34a_100000061740_100000211605 [0,2,0,0,0,0|2,0,0]=4 15194 B17R2.5121 Fc1ccccc1COc2cccnc2F 7a_100000061740_100000211605 [0,2,0,0,0,0|2,0,0]=4 15195 B17R2.5121 Fc1ccccc1COc2cccnc2I 34a_100000034122_100000211605 [0,2,0,0,0,0|2,0,0]=4 15196 B17R2.5121 Fc1ccccc1COc2cccnc2I 7a_100000034122_100000211605 [0,2,0,0,0,0|2,0,0]=4 15197 B17R2.5121 Fc1ccccc1COc2cnccc2Cl 34a_100011996695_100000211605 [0,2,0,0,0,0|2,0,0]=4 15198 B17R2.5121 Fc1ccccc1COc2cnccc2I 34a_100000050107_100000211605 [0,2,0,0,0,0|2,0,0]=4 15199 B17R2.5121 Fc1ccccc1CSc2ccccc2Br 62a_100000211605_100000695589 [0,2,0,0,0,0|2,0,0]=4 15200 B17R2.5121 Fc1ccccc1CSc2ccccc2Br 62a_100000695589_100000211605 [0,2,0,0,0,0|2,0,0]=4 15201 B17R2.5121 Fc1ccccc1CSc2ccccc2Cl 62a_100000211605_100000764095 [0,2,0,0,0,0|2,0,0]=4 15202 B17R2.5121 Fc1ccccc1CSc2ccccc2Cl 62a_100000764095_100000211605 [0,2,0,0,0,0|2,0,0]=4 15203 B17R2.5121 Fc1ccccc1CSc2ccccc2F 62a_100000211605_100011215700 [0,2,0,0,0,0|2,0,0]=4 15204 B17R2.5121 Fc1ccccc1CSc2ccccc2F 62a_100011215700_100000211605 [0,2,0,0,0,0|2,0,0]=4 15205 B17R2.5121 Fc1ccccc1CSc2cccnc2Br 62a_100000211605_100010202626 [0,2,0,0,0,0|2,0,0]=4 15206 B17R2.5121 Fc1ccccc1CSc2cccnc2Br 62a_100010202626_100000211605 [0,2,0,0,0,0|2,0,0]=4 15207 B17R2.5121 Fc1ccccc1CSc2cccnc2Cl 62a_100000036424_100000211605 [0,2,0,0,0,0|2,0,0]=4 15208 B17R2.5121 Fc1ccccc1CSc2cccnc2Cl 62a_100000211605_100000036424 [0,2,0,0,0,0|2,0,0]=4 15209 B17R2.5121 Fc1ccccc1CSc2cccnc2F 62a_100000211605_100009816115 [0,2,0,0,0,0|2,0,0]=4 15210 B17R2.5121 Fc1ccccc1CSc2cccnc2F 62a_100009816115_100000211605 [0,2,0,0,0,0|2,0,0]=4 15211 B17R2.5121 Fc1ccccc1CSc2cnccc2Br 62a_100000211605_100010138639 [0,2,0,0,0,0|2,0,0]=4 15212 B17R2.5121 Fc1ccccc1CSc2cnccc2Br 62a_100010138639_100000211605 [0,2,0,0,0,0|2,0,0]=4 15213 B17R2.5121 Fc1ccccc1CSc2cnccc2Cl 62a_100000211605_100009995489 [0,2,0,0,0,0|2,0,0]=4 15214 B17R2.5121 Fc1ccccc1CSc2cnccc2Cl 62a_100009995489_100000211605 [0,2,0,0,0,0|2,0,0]=4 15215 B17R2.5121 Fc1ccccc1CSc2cnccc2F 62a_100000211605_100009820683 [0,2,0,0,0,0|2,0,0]=4 15216 B17R2.5121 Fc1ccccc1CSc2cnccc2F 62a_100009820683_100000211605 [0,2,0,0,0,0|2,0,0]=4 15217 B17R2.5121 Fc1ccccc1NCc2ccccc2Br 207a_100000210422_100000211189 [0,2,0,0,0,0|1,0,0]=3 15218 B17R2.5121 Fc1ccccc1NCc2ccccc2Br 34a_100000210422_100000184730 [0,2,0,0,0,0|1,0,0]=3 15219 B17R2.5121 Fc1ccccc1NCc2ccccc2Cl 207a_100000210422_100000210073 [0,2,0,0,0,0|1,0,0]=3 15220 B17R2.5121 Fc1ccccc1NCc2ccccc2Cl 34a_100000210422_100000187162 [0,2,0,0,0,0|1,0,0]=3 15221 B17R2.5121 Fc1ccccc1NCc2ccccc2I 207a_100000210422_100000010305 [0,2,0,0,0,0|1,0,0]=3 15222 B17R2.5121 Fc1ccccc1NCc2ccccc2I 34a_100000210422_100011215278 [0,2,0,0,0,0|1,0,0]=3 15223 B17R2.5121 Fc1ccccc1NCc2cccnc2Br 34a_100000210422_100010140945 [0,2,0,0,0,0|0,0,0]=2 15224 B17R2.5121 Fc1ccccc1NCc2cccnc2Cl 34a_100000210422_100000045678 [0,2,0,0,0,0|0,0,0]=2 15225 B17R2.5121 Fc1ccccc1NCc2cccnc2F 34a_100000210422_100000099810 [0,2,0,0,0,0|0,0,0]=2 15226 B17R2.5121 Fc1ccccc1NCc2ccncc2Cl 207a_100000210422_100011934409 [0,2,0,0,0,0|2,0,0]=4 15227 B17R2.5121 Fc1ccccc1NCc2ncccc2Br 207a_100000210422_100011934733 [0,2,0,0,0,0|2,0,0]=4 15228 B17R2.5121 Fc1ccccc1NCc2ncccc2Br 34a_100000210422_100025702911 [0,2,0,0,0,0|2,0,0]=4 15229 B17R2.5121 Fc1ccccc1NCc2ncccc2Cl 207a_100000210422_100012001307 [0,2,0,0,0,0|2,0,0]=4 15230 B17R2.5121 Fc1ccccc1NCc2ncccc2F 207a_100000210422_100011934734 [0,2,0,0,0,0|2,0,0]=4 15231 B17R2.5121 Fc1ccccc1NCc2ncccc2F 34a_100000210422_100000104219 [0,2,0,0,0,0|2,0,0]=4 15232 B17R2.5121 Fc1ccccc1OCc2ccccc2Br 34a_100000210171_100000184730 [0,2,0,0,0,0|2,0,0]=4 15233 B17R2.5121 Fc1ccccc1OCc2ccccc2Br 7a_100000210171_100000184730 [0,2,0,0,0,0|2,0,0]=4 15234 B17R2.5121 Fc1ccccc1OCc2ccccc2Cl 34a_100000210171_100000187162 [0,2,0,0,0,0|2,0,0]=4 15235 B17R2.5121 Fc1ccccc1OCc2ccccc2Cl 7a_100000210171_100000187162 [0,2,0,0,0,0|2,0,0]=4 15236 B17R2.5121 Fc1ccccc1OCc2ccccc2I 34a_100000210171_100011215278 [0,2,0,0,0,0|2,0,0]=4 15237 B17R2.5121 Fc1ccccc1OCc2ccccc2I 7a_100000210171_100011215278 [0,2,0,0,0,0|2,0,0]=4 15238 B17R2.5121 Fc1ccccc1OCc2cccnc2Br 34a_100000210171_100010140945 [0,2,0,0,0,0|1,0,0]=3 15239 B17R2.5121 Fc1ccccc1OCc2cccnc2Br 7a_100000210171_100010140945 [0,2,0,0,0,0|1,0,0]=3 15240 B17R2.5121 Fc1ccccc1OCc2cccnc2Cl 34a_100000210171_100000045678 [0,2,0,0,0,0|1,0,0]=3 15241 B17R2.5121 Fc1ccccc1OCc2cccnc2Cl 7a_100000210171_100000045678 [0,2,0,0,0,0|1,0,0]=3 15242 B17R2.5121 Fc1ccccc1OCc2cccnc2F 34a_100000210171_100000099810 [0,2,0,0,0,0|1,0,0]=3 15243 B17R2.5121 Fc1ccccc1OCc2cccnc2F 7a_100000210171_100000099810 [0,2,0,0,0,0|1,0,0]=3 15244 B17R2.5121 Fc1ccccc1SCc2ccccc2Br 62a_100000184730_100011215700 [0,2,0,0,0,0|2,0,0]=4 15245 B17R2.5121 Fc1ccccc1SCc2ccccc2Br 62a_100011215700_100000184730 [0,2,0,0,0,0|2,0,0]=4 15246 B17R2.5121 Fc1ccccc1SCc2ccccc2Cl 62a_100000187162_100011215700 [0,2,0,0,0,0|2,0,0]=4 15247 B17R2.5121 Fc1ccccc1SCc2ccccc2Cl 62a_100011215700_100000187162 [0,2,0,0,0,0|2,0,0]=4 15248 B17R2.5121 Fc1ccccc1SCc2ccccc2I 62a_100011215700_100011216222 [0,2,0,0,0,0|2,0,0]=4 15249 B17R2.5121 Fc1ccccc1SCc2ccccc2I 62a_100011216222_100011215700 [0,2,0,0,0,0|2,0,0]=4 15250 B17R2.5121 Fc1ccccc1SCc2cccnc2Br 62a_100010140945_100011215700 [0,2,0,0,0,0|1,0,0]=3 15251 B17R2.5121 Fc1ccccc1SCc2cccnc2Br 62a_100011215700_100010140945 [0,2,0,0,0,0|1,0,0]=3 15252 B17R2.5121 Fc1ccccc1SCc2cccnc2Cl 62a_100000045678_100011215700 [0,2,0,0,0,0|1,0,0]=3 15253 B17R2.5121 Fc1ccccc1SCc2cccnc2Cl 62a_100011215700_100000045678 [0,2,0,0,0,0|1,0,0]=3 15254 B17R2.5121 Fc1ccccc1SCc2cccnc2F 62a_100000099810_100011215700 [0,2,0,0,0,0|1,0,0]=3 15255 B17R2.5121 Fc1ccccc1SCc2cccnc2F 62a_100011215700_100000099810 [0,2,0,0,0,0|1,0,0]=3 15256 B17R2.5121 Fc1cccnc1CNc2ccccc2Br 207a_100000210017_100011934734 [0,2,0,0,0,0|2,0,0]=4 15257 B17R2.5121 Fc1cccnc1CNc2ccccc2Br 34a_100000210017_100000104219 [0,2,0,0,0,0|2,0,0]=4 15258 B17R2.5121 Fc1cccnc1CNc2ccccc2Cl 207a_100000185783_100011934734 [0,2,0,0,0,0|2,0,0]=4 15259 B17R2.5121 Fc1cccnc1CNc2ccccc2Cl 34a_100000185783_100000104219 [0,2,0,0,0,0|2,0,0]=4 15260 B17R2.5121 Fc1cccnc1CNc2ccccc2I 207a_100000210053_100011934734 [0,2,0,0,0,0|2,0,0]=4 15261 B17R2.5121 Fc1cccnc1CNc2ccccc2I 34a_100000210053_100000104219 [0,2,0,0,0,0|2,0,0]=4 15262 B17R2.5121 Fc1cccnc1OCc2cccnc2Br 34a_100011219419_100010140945 [0,2,0,0,0,0|2,0,0]=4 15263 B17R2.5121 Fc1cccnc1OCc2cccnc2Cl 34a_100011219419_100000045678 [0,2,0,0,0,0|2,0,0]=4 15264 B17R2.5121 Fc1cccnc1OCc2cccnc2F 34a_100011219419_100000099810 [0,2,0,0,0,0|2,0,0]=4 15265 B17R2.5121 Fc1cccnc1SCc2cccnc2Br 62a_100000685392_100010140945 [0,2,0,0,0,0|2,0,0]=4 15266 B17R2.5121 Fc1cccnc1SCc2cccnc2Br 62a_100010140945_100000685392 [0,2,0,0,0,0|2,0,0]=4 15267 B17R2.5121 Fc1cccnc1SCc2cccnc2Cl 62a_100000045678_100000685392 [0,2,0,0,0,0|2,0,0]=4 15268 B17R2.5121 Fc1cccnc1SCc2cccnc2Cl 62a_100000685392_100000045678 [0,2,0,0,0,0|2,0,0]=4 15269 B17R2.5121 Fc1cccnc1SCc2cccnc2F 62a_100000099810_100000685392 [0,2,0,0,0,0|2,0,0]=4 15270 B17R2.5121 Fc1cccnc1SCc2cccnc2F 62a_100000685392_100000099810 [0,2,0,0,0,0|2,0,0]=4 15271 B17R2.5121 Fc1ccncc1SCc2ccccc2Br 62a_100000184730_100009820683 [0,2,0,0,0,0|2,0,0]=4 15272 B17R2.5121 Fc1ccncc1SCc2ccccc2Br 62a_100009820683_100000184730 [0,2,0,0,0,0|2,0,0]=4 15273 B17R2.5121 Fc1ccncc1SCc2ccccc2Cl 62a_100000187162_100009820683 [0,2,0,0,0,0|2,0,0]=4 15274 B17R2.5121 Fc1ccncc1SCc2ccccc2Cl 62a_100009820683_100000187162 [0,2,0,0,0,0|2,0,0]=4 15275 B17R2.5121 Fc1ccncc1SCc2ccccc2I 62a_100009820683_100011216222 [0,2,0,0,0,0|2,0,0]=4 15276 B17R2.5121 Fc1ccncc1SCc2ccccc2I 62a_100011216222_100009820683 [0,2,0,0,0,0|2,0,0]=4 15277 B17R2.5121 Fc1ccncc1SCc2cccnc2Br 62a_100009820683_100010140945 [0,2,0,0,0,0|2,0,0]=4 15278 B17R2.5121 Fc1ccncc1SCc2cccnc2Br 62a_100010140945_100009820683 [0,2,0,0,0,0|2,0,0]=4 15279 B17R2.5121 Fc1ccncc1SCc2cccnc2Cl 62a_100000045678_100009820683 [0,2,0,0,0,0|2,0,0]=4 15280 B17R2.5121 Fc1ccncc1SCc2cccnc2Cl 62a_100009820683_100000045678 [0,2,0,0,0,0|2,0,0]=4 15281 B17R2.5121 Fc1ccncc1SCc2cccnc2F 62a_100000099810_100009820683 [0,2,0,0,0,0|2,0,0]=4 15282 B17R2.5121 Fc1ccncc1SCc2cccnc2F 62a_100009820683_100000099810 [0,2,0,0,0,0|2,0,0]=4 15283 B17R2.5121 Fc1cnccc1NCc2ccccc2Br 27a_100000689332_100000035921 [0,2,0,0,0,0|2,0,0]=4 15284 B17R2.5121 Fc1cnccc1NCc2ccccc2Cl 27a_100000174879_100000035921 [0,2,0,0,0,0|2,0,0]=4 15285 B17R2.5121 Fc1cnccc1NCc2ccccc2I 27a_100015347259_100000035921 [0,2,0,0,0,0|2,0,0]=4 15286 B17R2.5121 Fc1cnccc1NCc2cccnc2Br 27a_100009818023_100000035921 [0,2,0,0,0,0|1,0,0]=3 15287 B17R2.5121 Fc1cnccc1NCc2cccnc2Cl 27a_100015189234_100000035921 [0,2,0,0,0,0|1,0,0]=3 15288 B17R2.5121 Fc1cnccc1NCc2cccnc2F 27a_100000724633_100000035921 [0,2,0,0,0,0|1,0,0]=3 15289 B17R2.5121 Fc1cnccc1NCc2nccnc2Cl 27a_100000729963_100000035921 [0,2,0,0,0,0|2,0,0]=4 15290 B17R2.5121 Fc1cnccc1OCc2cccnc2Br 34a_200000081243_100010140945 [0,2,0,0,0,0|2,0,0]=4 15291 B17R2.5121 Fc1cnccc1OCc2cccnc2Cl 34a_200000081243_100000045678 [0,2,0,0,0,0|2,0,0]=4 15292 B17R2.5121 Fc1cnccc1OCc2cccnc2F 34a_200000081243_100000099810 [0,2,0,0,0,0|2,0,0]=4 15293 B17R2.5121 Fc1cnccc1SCc2cccnc2Br 62a_100000047030_100010140945 [0,2,0,0,0,0|2,0,0]=4 15294 B17R2.5121 Fc1cnccc1SCc2cccnc2Br 62a_100010140945_100000047030 [0,2,0,0,0,0|2,0,0]=4 15295 B17R2.5121 Fc1cnccc1SCc2cccnc2Cl 62a_100000045678_100000047030 [0,2,0,0,0,0|2,0,0]=4 15296 B17R2.5121 Fc1cnccc1SCc2cccnc2Cl 62a_100000047030_100000045678 [0,2,0,0,0,0|2,0,0]=4 15297 B17R2.5121 Fc1cnccc1SCc2cccnc2F 62a_100000047030_100000099810 [0,2,0,0,0,0|2,0,0]=4 15298 B17R2.5121 Fc1cnccc1SCc2cccnc2F 62a_100000099810_100000047030 [0,2,0,0,0,0|2,0,0]=4 15299 B17R2.5121 Fc1cncnc1NCc2cccnc2Br 27a_100009818023_100000069762 [0,2,0,0,0,0|2,0,0]=4 15300 B17R2.5121 Fc1cncnc1NCc2cccnc2Cl 27a_100015189234_100000069762 [0,2,0,0,0,0|2,0,0]=4 15301 B17R2.5121 Fc1cncnc1NCc2cccnc2F 27a_100000724633_100000069762 [0,2,0,0,0,0|2,0,0]=4 15302 B17R2.5121 Fc1ncccc1CNc2ccccc2Br 34a_100000210017_100000099810 [0,2,0,0,0,0|0,0,0]=2 15303 B17R2.5121 Fc1ncccc1CNc2ccccc2Cl 34a_100000185783_100000099810 [0,2,0,0,0,0|0,0,0]=2 15304 B17R2.5121 Fc1ncccc1CNc2ccccc2I 34a_100000210053_100000099810 [0,2,0,0,0,0|0,0,0]=2 15305 B17R2.5121 Fc1ncccc1CNc2ccncc2Br 27a_100000724633_100000726257 [0,2,0,0,0,0|1,0,0]=3 15306 B17R2.5121 Fc1ncccc1CNc2ncccc2Br 27a_100000724633_100000696092 [0,2,0,0,0,0|1,0,0]=3 15307 B17R2.5121 Fc1ncccc1CNc2nccnc2F 27a_100000724633_200010125657 [0,2,0,0,0,0|2,0,0]=4 15308 B17R2.5121 Fc1ncccc1COc2ccccc2Br 34a_100000181306_100000099810 [0,2,0,0,0,0|1,0,0]=3 15309 B17R2.5121 Fc1ncccc1COc2ccccc2Br 7a_100000181306_100000099810 [0,2,0,0,0,0|1,0,0]=3 15310 B17R2.5121 Fc1ncccc1COc2ccccc2Cl 34a_100000210172_100000099810 [0,2,0,0,0,0|1,0,0]=3 15311 B17R2.5121 Fc1ncccc1COc2ccccc2Cl 7a_100000210172_100000099810 [0,2,0,0,0,0|1,0,0]=3 15312 B17R2.5121 Fc1ncccc1COc2ccccc2I 34a_100000739446_100000099810 [0,2,0,0,0,0|1,0,0]=3 15313 B17R2.5121 Fc1ncccc1COc2ccccc2I 7a_100000739446_100000099810 [0,2,0,0,0,0|1,0,0]=3 15314 B17R2.5121 Fc1ncccc1COc2cccnc2Br 34a_100000744436_100000099810 [0,2,0,0,0,0|2,0,0]=4 15315 B17R2.5121 Fc1ncccc1COc2cccnc2Br 7a_100000744436_100000099810 [0,2,0,0,0,0|2,0,0]=4 15316 B17R2.5121 Fc1ncccc1COc2cccnc2Cl 34a_100000757616_100000099810 [0,2,0,0,0,0|2,0,0]=4 15317 B17R2.5121 Fc1ncccc1COc2cccnc2Cl 7a_100000757616_100000099810 [0,2,0,0,0,0|2,0,0]=4 15318 B17R2.5121 Fc1ncccc1COc2cccnc2F 34a_100000061740_100000099810 [0,2,0,0,0,0|2,0,0]=4 15319 B17R2.5121 Fc1ncccc1COc2cccnc2F 7a_100000061740_100000099810 [0,2,0,0,0,0|2,0,0]=4 15320 B17R2.5121 Fc1ncccc1COc2cccnc2I 34a_100000034122_100000099810 [0,2,0,0,0,0|2,0,0]=4 15321 B17R2.5121 Fc1ncccc1COc2cccnc2I 7a_100000034122_100000099810 [0,2,0,0,0,0|2,0,0]=4 15322 B17R2.5121 Fc1ncccc1COc2ccncc2Br 34a_100011996408_100000099810 [0,2,0,0,0,0|2,0,0]=4 15323 B17R2.5121 Fc1ncccc1COc2ccncc2Cl 34a_100011997054_100000099810 [0,2,0,0,0,0|2,0,0]=4 15324 B17R2.5121 Fc1ncccc1COc2cnccc2Cl 34a_100011996695_100000099810 [0,2,0,0,0,0|2,0,0]=4 15325 B17R2.5121 Fc1ncccc1COc2cnccc2I 34a_100000050107_100000099810 [0,2,0,0,0,0|2,0,0]=4 15326 B17R2.5121 Fc1ncccc1COc2ncccc2Cl 34a_100011290957_100000099810 [0,2,0,0,0,0|2,0,0]=4 15327 B17R2.5121 Fc1ncccc1CSc2c[nH]ccc2=S 62a_100000099810_200012280681 [0,2,0,0,0,0|2,0,0]=4 15328 B17R2.5121 Fc1ncccc1CSc2c[nH]ccc2=S 62a_200012280681_100000099810 [0,2,0,0,0,0|2,0,0]=4 15329 B17R2.5121 Fc1ncccc1CSc2ccccc2Br 62a_100000099810_100000695589 [0,2,0,0,0,0|1,0,0]=3 15330 B17R2.5121 Fc1ncccc1CSc2ccccc2Br 62a_100000695589_100000099810 [0,2,0,0,0,0|1,0,0]=3 15331 B17R2.5121 Fc1ncccc1CSc2ccccc2Cl 62a_100000099810_100000764095 [0,2,0,0,0,0|1,0,0]=3 15332 B17R2.5121 Fc1ncccc1CSc2ccccc2Cl 62a_100000764095_100000099810 [0,2,0,0,0,0|1,0,0]=3 15333 B17R2.5121 Fc1ncccc1CSc2cccnc2Br 62a_100000099810_100010202626 [0,2,0,0,0,0|2,0,0]=4 15334 B17R2.5121 Fc1ncccc1CSc2cccnc2Br 62a_100010202626_100000099810 [0,2,0,0,0,0|2,0,0]=4 15335 B17R2.5121 Fc1ncccc1CSc2cccnc2Cl 62a_100000036424_100000099810 [0,2,0,0,0,0|2,0,0]=4 15336 B17R2.5121 Fc1ncccc1CSc2cccnc2Cl 62a_100000099810_100000036424 [0,2,0,0,0,0|2,0,0]=4 15337 B17R2.5121 Fc1ncccc1CSc2cccnc2F 62a_100000099810_100009816115 [0,2,0,0,0,0|2,0,0]=4 15338 B17R2.5121 Fc1ncccc1CSc2cccnc2F 62a_100009816115_100000099810 [0,2,0,0,0,0|2,0,0]=4 15339 B17R2.5121 Fc1ncccc1CSc2ccncc2Br 62a_100000099810_100000726257 [0,2,0,0,0,0|2,0,0]=4 15340 B17R2.5121 Fc1ncccc1CSc2ccncc2Br 62a_100000726257_100000099810 [0,2,0,0,0,0|2,0,0]=4 15341 B17R2.5121 Fc1ncccc1CSc2ccncc2Cl 62a_100000099810_100000708259 [0,2,0,0,0,0|2,0,0]=4 15342 B17R2.5121 Fc1ncccc1CSc2ccncc2Cl 62a_100000708259_100000099810 [0,2,0,0,0,0|2,0,0]=4 15343 B17R2.5121 Fc1ncccc1CSc2cnccc2Br 62a_100000099810_100010138639 [0,2,0,0,0,0|2,0,0]=4 15344 B17R2.5121 Fc1ncccc1CSc2cnccc2Br 62a_100010138639_100000099810 [0,2,0,0,0,0|2,0,0]=4 15345 B17R2.5121 Fc1ncccc1CSc2cnccc2Cl 62a_100000099810_100009995489 [0,2,0,0,0,0|2,0,0]=4 15346 B17R2.5121 Fc1ncccc1CSc2cnccc2Cl 62a_100009995489_100000099810 [0,2,0,0,0,0|2,0,0]=4 15347 B17R2.5121 Fc1ncccc1CSc2ncccc2Br 62a_100000099810_100000696092 [0,2,0,0,0,0|2,0,0]=4 15348 B17R2.5121 Fc1ncccc1CSc2ncccc2Br 62a_100000696092_100000099810 [0,2,0,0,0,0|2,0,0]=4 15349 B17R2.5121 Fc1ncccc1CSc2ncccc2Cl 62a_100000099810_100011356963 [0,2,0,0,0,0|2,0,0]=4 15350 B17R2.5121 Fc1ncccc1CSc2ncccc2Cl 62a_100011356963_100000099810 [0,2,0,0,0,0|2,0,0]=4 15351 B17R2.5121 Fc1ncccc1OCc2ccccc2Br 34a_100000061740_100000184730 [0,2,0,0,0,0|2,0,0]=4 15352 B17R2.5121 Fc1ncccc1OCc2ccccc2Br 7a_100000061740_100000184730 [0,2,0,0,0,0|2,0,0]=4 15353 B17R2.5121 Fc1ncccc1OCc2ccccc2Cl 34a_100000061740_100000187162 [0,2,0,0,0,0|2,0,0]=4 15354 B17R2.5121 Fc1ncccc1OCc2ccccc2Cl 7a_100000061740_100000187162 [0,2,0,0,0,0|2,0,0]=4 15355 B17R2.5121 Fc1ncccc1OCc2ccccc2I 34a_100000061740_100011215278 [0,2,0,0,0,0|2,0,0]=4 15356 B17R2.5121 Fc1ncccc1OCc2ccccc2I 7a_100000061740_100011215278 [0,2,0,0,0,0|2,0,0]=4 15357 B17R2.5121 Fc1ncccc1OCc2cccnc2Br 34a_100000061740_100010140945 [0,2,0,0,0,0|2,0,0]=4 15358 B17R2.5121 Fc1ncccc1OCc2cccnc2Br 7a_100000061740_100010140945 [0,2,0,0,0,0|2,0,0]=4 15359 B17R2.5121 Fc1ncccc1OCc2cccnc2Cl 34a_100000061740_100000045678 [0,2,0,0,0,0|2,0,0]=4 15360 B17R2.5121 Fc1ncccc1OCc2cccnc2Cl 7a_100000061740_100000045678 [0,2,0,0,0,0|2,0,0]=4 15361 B17R2.5121 Fc1ncccc1SCc2ccccc2Br 62a_100000184730_100009816115 [0,2,0,0,0,0|2,0,0]=4 15362 B17R2.5121 Fc1ncccc1SCc2ccccc2Br 62a_100009816115_100000184730 [0,2,0,0,0,0|2,0,0]=4 15363 B17R2.5121 Fc1ncccc1SCc2ccccc2Cl 62a_100000187162_100009816115 [0,2,0,0,0,0|2,0,0]=4 15364 B17R2.5121 Fc1ncccc1SCc2ccccc2Cl 62a_100009816115_100000187162 [0,2,0,0,0,0|2,0,0]=4 15365 B17R2.5121 Fc1ncccc1SCc2ccccc2I 62a_100009816115_100011216222 [0,2,0,0,0,0|2,0,0]=4 15366 B17R2.5121 Fc1ncccc1SCc2ccccc2I 62a_100011216222_100009816115 [0,2,0,0,0,0|2,0,0]=4 15367 B17R2.5121 Fc1ncccc1SCc2cccnc2Br 62a_100009816115_100010140945 [0,2,0,0,0,0|2,0,0]=4 15368 B17R2.5121 Fc1ncccc1SCc2cccnc2Br 62a_100010140945_100009816115 [0,2,0,0,0,0|2,0,0]=4 15369 B17R2.5121 Fc1ncccc1SCc2cccnc2Cl 62a_100000045678_100009816115 [0,2,0,0,0,0|2,0,0]=4 15370 B17R2.5121 Fc1ncccc1SCc2cccnc2Cl 62a_100009816115_100000045678 [0,2,0,0,0,0|2,0,0]=4 15371 B17R2.5121 Fc1nccnc1NCc2cccnc2Br 27a_100009818023_200010125657 [0,2,0,0,0,0|2,0,0]=4 15372 B17R2.5121 Fc1nccnc1NCc2cccnc2Cl 27a_100015189234_200010125657 [0,2,0,0,0,0|2,0,0]=4 15373 B17R2.5121 Ic1ccccc1CNc2ccccc2I 207a_100000210053_100000010305 [0,2,0,0,0,0|1,0,0]=3 15374 B17R2.5121 Ic1ccccc1CNc2ccccc2I 34a_100000210053_100011215278 [0,2,0,0,0,0|1,0,0]=3 15375 B17R2.5121 Ic1ccccc1COc2ccccc2I 34a_100000739446_100011215278 [0,2,0,0,0,0|2,0,0]=4 15376 B17R2.5121 Ic1ccccc1COc2ccccc2I 7a_100000739446_100011215278 [0,2,0,0,0,0|2,0,0]=4 15377 B17R2.5121 Ic1ccccc1COc2cccnc2I 34a_100000034122_100011215278 [0,2,0,0,0,0|2,0,0]=4 15378 B17R2.5121 Ic1ccccc1COc2cccnc2I 7a_100000034122_100011215278 [0,2,0,0,0,0|2,0,0]=4 15379 B17R2.5121 Ic1ccccc1COc2cnccc2I 34a_100000050107_100011215278 [0,2,0,0,0,0|2,0,0]=4 15380 B17R2.5121 Nc1ccccc1OCc2ccccc2Br 34a_100000185747_100000184730 [0,2,0,0,0,0|2,0,0]=4 15381 B17R2.5121 Nc1ccccc1OCc2ccccc2Br 7a_100000185747_100000184730 [0,2,0,0,0,0|2,0,0]=4 15382 B17R2.5121 Nc1ccccc1OCc2ccccc2Cl 34a_100000185747_100000187162 [0,2,0,0,0,0|2,0,0]=4 15383 B17R2.5121 Nc1ccccc1OCc2ccccc2Cl 7a_100000185747_100000187162 [0,2,0,0,0,0|2,0,0]=4 15384 B17R2.5121 Nc1ccccc1OCc2ccccc2F 34a_100000185747_100000211605 [0,2,0,0,0,0|2,0,0]=4 15385 B17R2.5121 Nc1ccccc1OCc2ccccc2F 7a_100000185747_100000211605 [0,2,0,0,0,0|2,0,0]=4 15386 B17R2.5121 Nc1ccccc1OCc2ccccc2I 34a_100000185747_100011215278 [0,2,0,0,0,0|2,0,0]=4 15387 B17R2.5121 Nc1ccccc1OCc2ccccc2I 7a_100000185747_100011215278 [0,2,0,0,0,0|2,0,0]=4 15388 B17R2.5121 Nc1ccccc1OCc2cccnc2Br 34a_100000185747_100010140945 [0,2,0,0,0,0|1,0,0]=3 15389 B17R2.5121 Nc1ccccc1OCc2cccnc2Br 7a_100000185747_100010140945 [0,2,0,0,0,0|1,0,0]=3 15390 B17R2.5121 Nc1ccccc1OCc2cccnc2Cl 34a_100000185747_100000045678 [0,2,0,0,0,0|1,0,0]=3 15391 B17R2.5121 Nc1ccccc1OCc2cccnc2Cl 7a_100000185747_100000045678 [0,2,0,0,0,0|1,0,0]=3 15392 B17R2.5121 Nc1ccccc1OCc2cccnc2F 34a_100000185747_100000099810 [0,2,0,0,0,0|1,0,0]=3 15393 B17R2.5121 Nc1ccccc1OCc2cccnc2F 7a_100000185747_100000099810 [0,2,0,0,0,0|1,0,0]=3 15394 B17R2.5121 Nc1ccccc1SCc2ccccc2Br 62a_100000184730_100000210017 [0,2,0,0,0,0|2,0,0]=4 15395 B17R2.5121 Nc1ccccc1SCc2ccccc2Br 62a_100000210017_100000184730 [0,2,0,0,0,0|2,0,0]=4 15396 B17R2.5121 Nc1ccccc1SCc2ccccc2Cl 62a_100000187162_100000210017 [0,2,0,0,0,0|2,0,0]=4 15397 B17R2.5121 Nc1ccccc1SCc2ccccc2Cl 62a_100000210017_100000187162 [0,2,0,0,0,0|2,0,0]=4 15398 B17R2.5121 Nc1ccccc1SCc2ccccc2F 62a_100000210017_100000211605 [0,2,0,0,0,0|2,0,0]=4 15399 B17R2.5121 Nc1ccccc1SCc2ccccc2F 62a_100000211605_100000210017 [0,2,0,0,0,0|2,0,0]=4 15400 B17R2.5121 Nc1ccccc1SCc2ccccc2I 62a_100000210017_100011216222 [0,2,0,0,0,0|2,0,0]=4 15401 B17R2.5121 Nc1ccccc1SCc2ccccc2I 62a_100011216222_100000210017 [0,2,0,0,0,0|2,0,0]=4 15402 B17R2.5121 Nc1ccccc1SCc2cccnc2Br 62a_100000210017_100010140945 [0,2,0,0,0,0|1,0,0]=3 15403 B17R2.5121 Nc1ccccc1SCc2cccnc2Br 62a_100010140945_100000210017 [0,2,0,0,0,0|1,0,0]=3 15404 B17R2.5121 Nc1ccccc1SCc2cccnc2Cl 62a_100000045678_100000210017 [0,2,0,0,0,0|1,0,0]=3 15405 B17R2.5121 Nc1ccccc1SCc2cccnc2Cl 62a_100000210017_100000045678 [0,2,0,0,0,0|1,0,0]=3 15406 B17R2.5121 Nc1ccccc1SCc2cccnc2F 62a_100000099810_100000210017 [0,2,0,0,0,0|1,0,0]=3 15407 B17R2.5121 Nc1ccccc1SCc2cccnc2F 62a_100000210017_100000099810 [0,2,0,0,0,0|1,0,0]=3 15408 B17R2.5121 Nc1cccnc1OCc2cccnc2Br 34a_100000746358_100010140945 [0,2,0,0,0,0|2,0,0]=4 15409 B17R2.5121 Nc1cccnc1OCc2cccnc2Cl 34a_100000746358_100000045678 [0,2,0,0,0,0|2,0,0]=4 15410 B17R2.5121 Nc1cccnc1OCc2cccnc2F 34a_100000746358_100000099810 [0,2,0,0,0,0|2,0,0]=4 15411 B17R2.5121 Nc1cccnc1SCc2cccnc2Br 62a_100000688686_100010140945 [0,2,0,0,0,0|2,0,0]=4 15412 B17R2.5121 Nc1cccnc1SCc2cccnc2Br 62a_100010140945_100000688686 [0,2,0,0,0,0|2,0,0]=4 15413 B17R2.5121 Nc1cccnc1SCc2cccnc2Cl 62a_100000045678_100000688686 [0,2,0,0,0,0|2,0,0]=4 15414 B17R2.5121 Nc1cccnc1SCc2cccnc2Cl 62a_100000688686_100000045678 [0,2,0,0,0,0|2,0,0]=4 15415 B17R2.5121 Nc1cccnc1SCc2cccnc2F 62a_100000099810_100000688686 [0,2,0,0,0,0|2,0,0]=4 15416 B17R2.5121 Nc1cccnc1SCc2cccnc2F 62a_100000688686_100000099810 [0,2,0,0,0,0|2,0,0]=4 15417 B17R2.5121 Nc1ccncc1C=Cc2ccccc2F 271570a_200102527919_100000047001 [0,2,0,0,0,0|1,0,1]=4 15418 B17R2.5121 Nc1ccncc1OCc2ccccc2Br 34a_100000753702_100000184730 [0,2,0,0,0,0|2,0,0]=4 15419 B17R2.5121 Nc1ccncc1OCc2ccccc2Cl 34a_100000753702_100000187162 [0,2,0,0,0,0|2,0,0]=4 15420 B17R2.5121 Nc1ccncc1OCc2ccccc2F 34a_100000753702_100000211605 [0,2,0,0,0,0|2,0,0]=4 15421 B17R2.5121 Nc1ccncc1OCc2ccccc2I 34a_100000753702_100011215278 [0,2,0,0,0,0|2,0,0]=4 15422 B17R2.5121 Nc1ccncc1OCc2cccnc2Br 34a_100000753702_100010140945 [0,2,0,0,0,0|2,0,0]=4 15423 B17R2.5121 Nc1ccncc1OCc2cccnc2Cl 34a_100000753702_100000045678 [0,2,0,0,0,0|2,0,0]=4 15424 B17R2.5121 Nc1ccncc1OCc2cccnc2F 34a_100000753702_100000099810 [0,2,0,0,0,0|2,0,0]=4 15425 B17R2.5121 Nc1ccncc1SCc2ccccc2Br 62a_100000047001_100000184730 [0,2,0,0,0,0|2,0,0]=4 15426 B17R2.5121 Nc1ccncc1SCc2ccccc2Br 62a_100000184730_100000047001 [0,2,0,0,0,0|2,0,0]=4 15427 B17R2.5121 Nc1ccncc1SCc2ccccc2Cl 62a_100000047001_100000187162 [0,2,0,0,0,0|2,0,0]=4 15428 B17R2.5121 Nc1ccncc1SCc2ccccc2Cl 62a_100000187162_100000047001 [0,2,0,0,0,0|2,0,0]=4 15429 B17R2.5121 Nc1ccncc1SCc2ccccc2F 62a_100000047001_100000211605 [0,2,0,0,0,0|2,0,0]=4 15430 B17R2.5121 Nc1ccncc1SCc2ccccc2F 62a_100000211605_100000047001 [0,2,0,0,0,0|2,0,0]=4 15431 B17R2.5121 Nc1ccncc1SCc2ccccc2I 62a_100000047001_100011216222 [0,2,0,0,0,0|2,0,0]=4 15432 B17R2.5121 Nc1ccncc1SCc2ccccc2I 62a_100011216222_100000047001 [0,2,0,0,0,0|2,0,0]=4 15433 B17R2.5121 Nc1ccncc1SCc2cccnc2Br 62a_100000047001_100010140945 [0,2,0,0,0,0|2,0,0]=4 15434 B17R2.5121 Nc1ccncc1SCc2cccnc2Br 62a_100010140945_100000047001 [0,2,0,0,0,0|2,0,0]=4 15435 B17R2.5121 Nc1ccncc1SCc2cccnc2Cl 62a_100000045678_100000047001 [0,2,0,0,0,0|2,0,0]=4 15436 B17R2.5121 Nc1ccncc1SCc2cccnc2Cl 62a_100000047001_100000045678 [0,2,0,0,0,0|2,0,0]=4 15437 B17R2.5121 Nc1ccncc1SCc2cccnc2F 62a_100000047001_100000099810 [0,2,0,0,0,0|2,0,0]=4 15438 B17R2.5121 Nc1ccncc1SCc2cccnc2F 62a_100000099810_100000047001 [0,2,0,0,0,0|2,0,0]=4 15439 B17R2.5121 Nc1cnccc1SCc2cccnc2Br 62a_100000756074_100010140945 [0,2,0,0,0,0|2,0,0]=4 15440 B17R2.5121 Nc1cnccc1SCc2cccnc2Br 62a_100010140945_100000756074 [0,2,0,0,0,0|2,0,0]=4 15441 B17R2.5121 Nc1cnccc1SCc2cccnc2Cl 62a_100000045678_100000756074 [0,2,0,0,0,0|2,0,0]=4 15442 B17R2.5121 Nc1cnccc1SCc2cccnc2Cl 62a_100000756074_100000045678 [0,2,0,0,0,0|2,0,0]=4 15443 B17R2.5121 Nc1cnccc1SCc2cccnc2F 62a_100000099810_100000756074 [0,2,0,0,0,0|2,0,0]=4 15444 B17R2.5121 Nc1cnccc1SCc2cccnc2F 62a_100000756074_100000099810 [0,2,0,0,0,0|2,0,0]=4 15445 B17R2.5121 Nc1cncnc1NCc2cccnc2Br 27a_100009818023_100000709731 [0,2,0,0,0,0|2,0,0]=4 15446 B17R2.5121 Nc1cncnc1NCc2cccnc2Cl 27a_100015189234_100000709731 [0,2,0,0,0,0|2,0,0]=4 15447 B17R2.5121 Nc1cncnc1NCc2cccnc2F 27a_100000724633_100000709731 [0,2,0,0,0,0|2,0,0]=4 15448 B17R2.5121 Nc1ncccc1C=Cc2ccccc2F 271570a_200102527919_100000045569 [0,2,0,0,0,0|1,0,1]=4 15449 B17R2.5121 Nc1ncccc1OCc2ccccc2Br 34a_100000211975_100000184730 [0,2,0,0,0,0|2,0,0]=4 15450 B17R2.5121 Nc1ncccc1OCc2ccccc2Br 7a_100000211975_100000184730 [0,2,0,0,0,0|2,0,0]=4 15451 B17R2.5121 Nc1ncccc1OCc2ccccc2Cl 34a_100000211975_100000187162 [0,2,0,0,0,0|2,0,0]=4 15452 B17R2.5121 Nc1ncccc1OCc2ccccc2Cl 7a_100000211975_100000187162 [0,2,0,0,0,0|2,0,0]=4 15453 B17R2.5121 Nc1ncccc1OCc2ccccc2F 34a_100000211975_100000211605 [0,2,0,0,0,0|2,0,0]=4 15454 B17R2.5121 Nc1ncccc1OCc2ccccc2F 7a_100000211975_100000211605 [0,2,0,0,0,0|2,0,0]=4 15455 B17R2.5121 Nc1ncccc1OCc2ccccc2I 34a_100000211975_100011215278 [0,2,0,0,0,0|2,0,0]=4 15456 B17R2.5121 Nc1ncccc1OCc2ccccc2I 7a_100000211975_100011215278 [0,2,0,0,0,0|2,0,0]=4 15457 B17R2.5121 Nc1ncccc1OCc2cccnc2Br 34a_100000211975_100010140945 [0,2,0,0,0,0|2,0,0]=4 15458 B17R2.5121 Nc1ncccc1OCc2cccnc2Br 7a_100000211975_100010140945 [0,2,0,0,0,0|2,0,0]=4 15459 B17R2.5121 Nc1ncccc1OCc2cccnc2Cl 34a_100000211975_100000045678 [0,2,0,0,0,0|2,0,0]=4 15460 B17R2.5121 Nc1ncccc1OCc2cccnc2Cl 7a_100000211975_100000045678 [0,2,0,0,0,0|2,0,0]=4 15461 B17R2.5121 Nc1ncccc1OCc2cccnc2F 34a_100000211975_100000099810 [0,2,0,0,0,0|2,0,0]=4 15462 B17R2.5121 Nc1ncccc1OCc2cccnc2F 7a_100000211975_100000099810 [0,2,0,0,0,0|2,0,0]=4 15463 B17R2.5121 Nc1ncccc1SCc2ccccc2Br 62a_100000045569_100000184730 [0,2,0,0,0,0|2,0,0]=4 15464 B17R2.5121 Nc1ncccc1SCc2ccccc2Br 62a_100000184730_100000045569 [0,2,0,0,0,0|2,0,0]=4 15465 B17R2.5121 Nc1ncccc1SCc2ccccc2Cl 62a_100000045569_100000187162 [0,2,0,0,0,0|2,0,0]=4 15466 B17R2.5121 Nc1ncccc1SCc2ccccc2Cl 62a_100000187162_100000045569 [0,2,0,0,0,0|2,0,0]=4 15467 B17R2.5121 Nc1ncccc1SCc2ccccc2F 62a_100000045569_100000211605 [0,2,0,0,0,0|2,0,0]=4 15468 B17R2.5121 Nc1ncccc1SCc2ccccc2F 62a_100000211605_100000045569 [0,2,0,0,0,0|2,0,0]=4 15469 B17R2.5121 Nc1ncccc1SCc2ccccc2I 62a_100000045569_100011216222 [0,2,0,0,0,0|2,0,0]=4 15470 B17R2.5121 Nc1ncccc1SCc2ccccc2I 62a_100011216222_100000045569 [0,2,0,0,0,0|2,0,0]=4 15471 B17R2.5121 Nc1ncccc1SCc2cccnc2Br 62a_100000045569_100010140945 [0,2,0,0,0,0|2,0,0]=4 15472 B17R2.5121 Nc1ncccc1SCc2cccnc2Br 62a_100010140945_100000045569 [0,2,0,0,0,0|2,0,0]=4 15473 B17R2.5121 Nc1ncccc1SCc2cccnc2Cl 62a_100000045569_100000045678 [0,2,0,0,0,0|2,0,0]=4 15474 B17R2.5121 Nc1ncccc1SCc2cccnc2Cl 62a_100000045678_100000045569 [0,2,0,0,0,0|2,0,0]=4 15475 B17R2.5121 Nc1ncccc1SCc2cccnc2F 62a_100000045569_100000099810 [0,2,0,0,0,0|2,0,0]=4 15476 B17R2.5121 Nc1ncccc1SCc2cccnc2F 62a_100000099810_100000045569 [0,2,0,0,0,0|2,0,0]=4 15477 B17R2.5121 O=c1[nH]nccc1NCc2cccnc2Br 27a_100009818023_100000087129 [0,2,0,0,0,0|2,0,0]=4 15478 B17R2.5121 O=c1[nH]nccc1NCc2cccnc2Cl 27a_100015189234_100000087129 [0,2,0,0,0,0|2,0,0]=4 15479 B17R2.5121 O=c1[nH]nccc1NCc2cccnc2F 27a_100000724633_100000087129 [0,2,0,0,0,0|2,0,0]=4 15480 B17R2.5121 O=c1cc[nH]cc1SCc2cccnc2Br 62a_100009998708_100010140945 [0,2,0,0,0,0|2,0,0]=4 15481 B17R2.5121 O=c1cc[nH]cc1SCc2cccnc2Br 62a_100010140945_100009998708 [0,2,0,0,0,0|2,0,0]=4 15482 B17R2.5121 O=c1cc[nH]cc1SCc2cccnc2Cl 62a_100000045678_100009998708 [0,2,0,0,0,0|2,0,0]=4 15483 B17R2.5121 O=c1cc[nH]cc1SCc2cccnc2Cl 62a_100009998708_100000045678 [0,2,0,0,0,0|2,0,0]=4 15484 B17R2.5121 O=c1cc[nH]cc1SCc2cccnc2F 62a_100000099810_100009998708 [0,2,0,0,0,0|2,0,0]=4 15485 B17R2.5121 O=c1cc[nH]cc1SCc2cccnc2F 62a_100009998708_100000099810 [0,2,0,0,0,0|2,0,0]=4 15486 B17R2.5121 O=c1ccocc1OCc2cccnc2Br 34a_100000060831_100010140945 [0,2,0,0,0,0|2,0,0]=4 15487 B17R2.5121 O=c1ccocc1OCc2cccnc2Cl 34a_100000060831_100000045678 [0,2,0,0,0,0|2,0,0]=4 15488 B17R2.5121 O=c1ccocc1OCc2cccnc2F 34a_100000060831_100000099810 [0,2,0,0,0,0|2,0,0]=4 15489 B17R2.5121 O=c1occcc1OCc2cccnc2Br 34a_100000077404_100010140945 [0,2,0,0,0,0|2,0,0]=4 15490 B17R2.5121 O=c1occcc1OCc2cccnc2Br 7a_100000077404_100010140945 [0,2,0,0,0,0|2,0,0]=4 15491 B17R2.5121 O=c1occcc1OCc2cccnc2Cl 34a_100000077404_100000045678 [0,2,0,0,0,0|2,0,0]=4 15492 B17R2.5121 O=c1occcc1OCc2cccnc2Cl 7a_100000077404_100000045678 [0,2,0,0,0,0|2,0,0]=4 15493 B17R2.5121 O=c1occcc1OCc2cccnc2F 34a_100000077404_100000099810 [0,2,0,0,0,0|2,0,0]=4 15494 B17R2.5121 O=c1occcc1OCc2cccnc2F 7a_100000077404_100000099810 [0,2,0,0,0,0|2,0,0]=4 15495 B17R2.5121 Oc1ccccc1CNc2ccncc2Br 27a_100000185550_100000726257 [0,2,0,0,0,0|2,0,0]=4 15496 B17R2.5121 Oc1ccccc1CNc2ccncc2F 27a_100000185550_100000035921 [0,2,0,0,0,0|2,0,0]=4 15497 B17R2.5121 Oc1ccccc1CNc2ncccc2Br 27a_100000185550_100000696092 [0,2,0,0,0,0|2,0,0]=4 15498 B17R2.5121 Oc1ccccc1NCc2ccccc2Br 34a_100000185747_100000184730 [0,2,0,0,0,0|1,0,0]=3 15499 B17R2.5121 Oc1ccccc1NCc2ccccc2Cl 34a_100000185747_100000187162 [0,2,0,0,0,0|1,0,0]=3 15500 B17R2.5121 Oc1ccccc1NCc2ccccc2F 34a_100000185747_100000211605 [0,2,0,0,0,0|1,0,0]=3 15501 B17R2.5121 Oc1ccccc1NCc2ccccc2I 34a_100000185747_100011215278 [0,2,0,0,0,0|1,0,0]=3 15502 B17R2.5121 Oc1ccccc1NCc2cccnc2Br 34a_100000185747_100010140945 [0,2,0,0,0,0|0,0,0]=2 15503 B17R2.5121 Oc1ccccc1NCc2cccnc2Cl 34a_100000185747_100000045678 [0,2,0,0,0,0|0,0,0]=2 15504 B17R2.5121 Oc1ccccc1NCc2cccnc2F 34a_100000185747_100000099810 [0,2,0,0,0,0|0,0,0]=2 15505 B17R2.5121 Oc1ccccc1NCc2ncccc2Br 34a_100000185747_100025702911 [0,2,0,0,0,0|2,0,0]=4 15506 B17R2.5121 Oc1ccccc1NCc2ncccc2F 34a_100000185747_100000104219 [0,2,0,0,0,0|2,0,0]=4 15507 B17R2.5121 Oc1ccccc1NCc2ncccc2O 34a_100000185747_200020655725 [0,2,0,0,0,0|2,0,0]=4 15508 B17R2.5121 Oc1ccccc1SCc2ccccc2Br 62a_100000184730_100000739446 [0,2,0,0,0,0|2,0,0]=4 15509 B17R2.5121 Oc1ccccc1SCc2ccccc2Br 62a_100000739446_100000184730 [0,2,0,0,0,0|2,0,0]=4 15510 B17R2.5121 Oc1ccccc1SCc2ccccc2Cl 62a_100000187162_100000739446 [0,2,0,0,0,0|2,0,0]=4 15511 B17R2.5121 Oc1ccccc1SCc2ccccc2Cl 62a_100000739446_100000187162 [0,2,0,0,0,0|2,0,0]=4 15512 B17R2.5121 Oc1ccccc1SCc2ccccc2F 62a_100000211605_100000739446 [0,2,0,0,0,0|2,0,0]=4 15513 B17R2.5121 Oc1ccccc1SCc2ccccc2F 62a_100000739446_100000211605 [0,2,0,0,0,0|2,0,0]=4 15514 B17R2.5121 Oc1ccccc1SCc2ccccc2I 62a_100000739446_100011216222 [0,2,0,0,0,0|2,0,0]=4 15515 B17R2.5121 Oc1ccccc1SCc2ccccc2I 62a_100011216222_100000739446 [0,2,0,0,0,0|2,0,0]=4 15516 B17R2.5121 Oc1ccccc1SCc2cccnc2Br 62a_100000739446_100010140945 [0,2,0,0,0,0|1,0,0]=3 15517 B17R2.5121 Oc1ccccc1SCc2cccnc2Br 62a_100010140945_100000739446 [0,2,0,0,0,0|1,0,0]=3 15518 B17R2.5121 Oc1ccccc1SCc2cccnc2Cl 62a_100000045678_100000739446 [0,2,0,0,0,0|1,0,0]=3 15519 B17R2.5121 Oc1ccccc1SCc2cccnc2Cl 62a_100000739446_100000045678 [0,2,0,0,0,0|1,0,0]=3 15520 B17R2.5121 Oc1ccccc1SCc2cccnc2F 62a_100000099810_100000739446 [0,2,0,0,0,0|1,0,0]=3 15521 B17R2.5121 Oc1ccccc1SCc2cccnc2F 62a_100000739446_100000099810 [0,2,0,0,0,0|1,0,0]=3 15522 B17R2.5121 Oc1cccnc1CNc2ccccc2Br 34a_100000210017_200020655725 [0,2,0,0,0,0|2,0,0]=4 15523 B17R2.5121 Oc1cccnc1CNc2ccccc2Cl 34a_100000185783_200020655725 [0,2,0,0,0,0|2,0,0]=4 15524 B17R2.5121 Oc1cccnc1CNc2ccccc2F 34a_100000210422_200020655725 [0,2,0,0,0,0|2,0,0]=4 15525 B17R2.5121 Oc1cccnc1CNc2ccccc2I 34a_100000210053_200020655725 [0,2,0,0,0,0|2,0,0]=4 15526 B17R2.5121 Oc1cccnc1SCc2cccnc2Br 62a_100000034122_100010140945 [0,2,0,0,0,0|2,0,0]=4 15527 B17R2.5121 Oc1cccnc1SCc2cccnc2Br 62a_100010140945_100000034122 [0,2,0,0,0,0|2,0,0]=4 15528 B17R2.5121 Oc1cccnc1SCc2cccnc2Cl 62a_100000034122_100000045678 [0,2,0,0,0,0|2,0,0]=4 15529 B17R2.5121 Oc1cccnc1SCc2cccnc2Cl 62a_100000045678_100000034122 [0,2,0,0,0,0|2,0,0]=4 15530 B17R2.5121 Oc1cccnc1SCc2cccnc2F 62a_100000034122_100000099810 [0,2,0,0,0,0|2,0,0]=4 15531 B17R2.5121 Oc1cccnc1SCc2cccnc2F 62a_100000099810_100000034122 [0,2,0,0,0,0|2,0,0]=4 15532 B17R2.5121 Oc1cnccc1SCc2cccnc2Br 62a_100009817591_100010140945 [0,2,0,0,0,0|2,0,0]=4 15533 B17R2.5121 Oc1cnccc1SCc2cccnc2Br 62a_100010140945_100009817591 [0,2,0,0,0,0|2,0,0]=4 15534 B17R2.5121 Oc1cnccc1SCc2cccnc2Cl 62a_100000045678_100009817591 [0,2,0,0,0,0|2,0,0]=4 15535 B17R2.5121 Oc1cnccc1SCc2cccnc2Cl 62a_100009817591_100000045678 [0,2,0,0,0,0|2,0,0]=4 15536 B17R2.5121 Oc1cnccc1SCc2cccnc2F 62a_100000099810_100009817591 [0,2,0,0,0,0|2,0,0]=4 15537 B17R2.5121 Oc1cnccc1SCc2cccnc2F 62a_100009817591_100000099810 [0,2,0,0,0,0|2,0,0]=4 15538 B17R2.5121 Oc1ncccc1CNc2ccccc2Br 207a_100000210017_100011998315 [0,2,0,0,0,0|0,0,0]=2 15539 B17R2.5121 Oc1ncccc1CNc2ccccc2Cl 207a_100000185783_100011998315 [0,2,0,0,0,0|0,0,0]=2 15540 B17R2.5121 Oc1ncccc1CNc2ccccc2F 207a_100000210422_100011998315 [0,2,0,0,0,0|0,0,0]=2 15541 B17R2.5121 Oc1ncccc1CNc2ccccc2I 207a_100000210053_100011998315 [0,2,0,0,0,0|0,0,0]=2 15542 B17R2.5121 Oc1ncccc1SCc2ccccc2Br 62a_100000184730_100000760158 [0,2,0,0,0,0|2,0,0]=4 15543 B17R2.5121 Oc1ncccc1SCc2ccccc2Br 62a_100000760158_100000184730 [0,2,0,0,0,0|2,0,0]=4 15544 B17R2.5121 Oc1ncccc1SCc2ccccc2Cl 62a_100000187162_100000760158 [0,2,0,0,0,0|2,0,0]=4 15545 B17R2.5121 Oc1ncccc1SCc2ccccc2Cl 62a_100000760158_100000187162 [0,2,0,0,0,0|2,0,0]=4 15546 B17R2.5121 Oc1ncccc1SCc2ccccc2F 62a_100000211605_100000760158 [0,2,0,0,0,0|2,0,0]=4 15547 B17R2.5121 Oc1ncccc1SCc2ccccc2F 62a_100000760158_100000211605 [0,2,0,0,0,0|2,0,0]=4 15548 B17R2.5121 Oc1ncccc1SCc2ccccc2I 62a_100000760158_100011216222 [0,2,0,0,0,0|2,0,0]=4 15549 B17R2.5121 Oc1ncccc1SCc2ccccc2I 62a_100011216222_100000760158 [0,2,0,0,0,0|2,0,0]=4 15550 B17R2.5121 Oc1ncccc1SCc2cccnc2Br 62a_100000760158_100010140945 [0,2,0,0,0,0|2,0,0]=4 15551 B17R2.5121 Oc1ncccc1SCc2cccnc2Br 62a_100010140945_100000760158 [0,2,0,0,0,0|2,0,0]=4 15552 B17R2.5121 Oc1ncccc1SCc2cccnc2Cl 62a_100000045678_100000760158 [0,2,0,0,0,0|2,0,0]=4 15553 B17R2.5121 Oc1ncccc1SCc2cccnc2Cl 62a_100000760158_100000045678 [0,2,0,0,0,0|2,0,0]=4 15554 B17R2.5121 Oc1ncccc1SCc2cccnc2F 62a_100000099810_100000760158 [0,2,0,0,0,0|2,0,0]=4 15555 B17R2.5121 Oc1ncccc1SCc2cccnc2F 62a_100000760158_100000099810 [0,2,0,0,0,0|2,0,0]=4 15556 B17R2.5121 S=c1cc[nH]cc1SCc2cccnc2Br 62a_100010140945_200012280681 [0,2,0,0,0,0|2,0,0]=4 15557 B17R2.5121 S=c1cc[nH]cc1SCc2cccnc2Br 62a_200012280681_100010140945 [0,2,0,0,0,0|2,0,0]=4 15558 B17R2.5121 S=c1cc[nH]cc1SCc2cccnc2Cl 62a_100000045678_200012280681 [0,2,0,0,0,0|2,0,0]=4 15559 B17R2.5121 S=c1cc[nH]cc1SCc2cccnc2Cl 62a_200012280681_100000045678 [0,2,0,0,0,0|2,0,0]=4 15560 B17R2.5121 [O-][n+]1ccccc1OCc2cccnc2Br 7a_100000211761_100010140945 [0,2,0,0,0,0|2,0,0]=4 15561 B17R2.5121 [O-][n+]1ccccc1OCc2cccnc2Cl 7a_100000211761_100000045678 [0,2,0,0,0,0|2,0,0]=4 15562 B17R2.5121 [O-][n+]1ccccc1OCc2cccnc2F 7a_100000211761_100000099810 [0,2,0,0,0,0|2,0,0]=4 15563 B17R2.5121 [O-][n+]1ccccc1SCc2cccnc2Br 62a_100010140945_200000042595 [0,2,0,0,0,0|2,0,0]=4 15564 B17R2.5121 [O-][n+]1ccccc1SCc2cccnc2Cl 62a_100000045678_200000042595 [0,2,0,0,0,0|2,0,0]=4 15565 B17R2.5121 [O-][n+]1ccccc1SCc2cccnc2F 62a_100000099810_200000042595 [0,2,0,0,0,0|2,0,0]=4 15566 B17R2.5274 Brc1c(cccc1CNc2ccccc2)I 34a_100000106764_100010254545 [0,2,0,0,0,0|1,0,0]=3 15567 B17R2.5274 Brc1c(cccc1COc2ccccc2)I 34a_100000210340_100010254545 [0,2,0,0,0,0|2,0,0]=4 15568 B17R2.5274 Brc1c(cccc1COc2ccccc2)I 7a_100000210340_100010254545 [0,2,0,0,0,0|2,0,0]=4 15569 B17R2.5274 Brc1c(cccc1COc2cccnc2)I 34a_100000210849_100010254545 [0,2,0,0,0,0|2,0,0]=4 15570 B17R2.5274 Brc1c(cccc1COc2cccnc2)I 7a_100000210849_100010254545 [0,2,0,0,0,0|2,0,0]=4 15571 B17R2.5274 Brc1c(cccc1CSc2ccccc2)I 62a_100000719477_100010254545 [0,2,0,0,0,0|2,0,0]=4 15572 B17R2.5274 Brc1c(cccc1CSc2ccccc2)I 62a_100010254545_100000041952 [0,2,0,0,0,0|2,0,0]=4 15573 B17R2.5274 Brc1c(cccc1CSc2cccnc2)I 62a_100000210063_100010254545 [0,2,0,0,0,0|2,0,0]=4 15574 B17R2.5274 Brc1c(cccc1CSc2cccnc2)I 62a_100010254545_100000210063 [0,2,0,0,0,0|2,0,0]=4 15575 B17R2.5274 Brc1c(cccc1OCc2ccccc2)I 34a_100010187914_100015291786 [0,2,0,0,0,0|2,0,0]=4 15576 B17R2.5274 Brc1c(cccc1OCc2ccccc2)I 7a_100010187914_100000211182 [0,2,0,0,0,0|2,0,0]=4 15577 B17R2.5274 Brc1c(cccc1OCc2cccnc2)I 34a_100010187914_100000733263 [0,2,0,0,0,0|1,0,0]=3 15578 B17R2.5274 Brc1c(cccc1OCc2cccnc2)I 7a_100010187914_100000741622 [0,2,0,0,0,0|1,0,0]=3 15579 B17R2.5274 Brc1c(cccc1OCc2cccnn2)I 34a_100010187914_100016990269 [0,2,0,0,0,0|2,0,0]=4 15580 B17R2.5274 Brc1c(cccc1OCc2cccnn2)I 7a_100010187914_100016990269 [0,2,0,0,0,0|2,0,0]=4 15581 B17R2.5274 Brc1c(cccc1OCc2cnccn2)I 34a_100010187914_100016995436 [0,2,0,0,0,0|2,0,0]=4 15582 B17R2.5274 Brc1c(cccc1OCc2cnccn2)I 7a_100010187914_100016995436 [0,2,0,0,0,0|2,0,0]=4 15583 B17R2.5274 Brc1c(cccc1OCc2cncnc2)I 34a_100010187914_100015196519 [0,2,0,0,0,0|2,0,0]=4 15584 B17R2.5274 Brc1c(cccc1OCc2cncnc2)I 7a_100010187914_100015196519 [0,2,0,0,0,0|2,0,0]=4 15585 B17R2.5274 Brc1cccc(c1Br)CNc2ccccc2 207a_100000106764_100010240334 [0,2,0,0,0,0|1,0,0]=3 15586 B17R2.5274 Brc1cccc(c1Br)CNc2ccccc2 270302a_100000106764_100010240334 [0,2,0,0,0,0|1,0,0]=3 15587 B17R2.5274 Brc1cccc(c1Br)OCc2ccccc2 34a_100010187966_100015291786 [0,2,0,0,0,0|2,0,0]=4 15588 B17R2.5274 Brc1cccc(c1Br)OCc2ccccc2 7a_100010187966_100000211182 [0,2,0,0,0,0|2,0,0]=4 15589 B17R2.5274 Brc1cccc(c1Br)OCc2cccnc2 34a_100010187966_100000733263 [0,2,0,0,0,0|1,0,0]=3 15590 B17R2.5274 Brc1cccc(c1Br)OCc2cccnc2 7a_100010187966_100000741622 [0,2,0,0,0,0|1,0,0]=3 15591 B17R2.5274 Brc1cccc(c1Br)OCc2cccnn2 34a_100010187966_100016990269 [0,2,0,0,0,0|2,0,0]=4 15592 B17R2.5274 Brc1cccc(c1Br)OCc2cccnn2 7a_100010187966_100016990269 [0,2,0,0,0,0|2,0,0]=4 15593 B17R2.5274 Brc1cccc(c1Br)OCc2cnccn2 34a_100010187966_100016995436 [0,2,0,0,0,0|2,0,0]=4 15594 B17R2.5274 Brc1cccc(c1Br)OCc2cnccn2 7a_100010187966_100016995436 [0,2,0,0,0,0|2,0,0]=4 15595 B17R2.5274 Brc1cccc(c1Br)OCc2cncnc2 34a_100010187966_100015196519 [0,2,0,0,0,0|2,0,0]=4 15596 B17R2.5274 Brc1cccc(c1Br)OCc2cncnc2 7a_100010187966_100015196519 [0,2,0,0,0,0|2,0,0]=4 15597 B17R2.5274 Brc1cccc(c1Br)SCc2ccccc2 62a_100000211182_100010175083 [0,2,0,0,0,0|2,0,0]=4 15598 B17R2.5274 Brc1cccc(c1Br)SCc2ccccc2 62a_100010175083_100015291786 [0,2,0,0,0,0|2,0,0]=4 15599 B17R2.5274 Brc1cccc(c1Br)SCc2cccnc2 62a_100000741622_100010175083 [0,2,0,0,0,0|1,0,0]=3 15600 B17R2.5274 Brc1cccc(c1Br)SCc2cccnc2 62a_100010175083_100000741622 [0,2,0,0,0,0|1,0,0]=3 15601 B17R2.5274 Brc1cccc(c1Br)SCc2cccnn2 62a_100010175083_100016990269 [0,2,0,0,0,0|2,0,0]=4 15602 B17R2.5274 Brc1cccc(c1Br)SCc2cccnn2 62a_100016990269_100010175083 [0,2,0,0,0,0|2,0,0]=4 15603 B17R2.5274 Brc1cccc(c1Br)SCc2cnccn2 62a_100010175083_100016995436 [0,2,0,0,0,0|2,0,0]=4 15604 B17R2.5274 Brc1cccc(c1Br)SCc2cnccn2 62a_100016995436_100010175083 [0,2,0,0,0,0|2,0,0]=4 15605 B17R2.5274 Brc1cccc(c1Br)SCc2cncnc2 62a_100010175083_100015196519 [0,2,0,0,0,0|2,0,0]=4 15606 B17R2.5274 Brc1cccc(c1Br)SCc2cncnc2 62a_100015196519_100010175083 [0,2,0,0,0,0|2,0,0]=4 15607 B17R2.5274 Brc1cccc(c1I)NCc2ccccc2 34a_100020590159_100015291786 [0,2,0,0,0,0|1,0,0]=3 15608 B17R2.5274 Brc1cccc(c1I)NCc2ccccn2 34a_100020590159_100000721315 [0,2,0,0,0,0|2,0,0]=4 15609 B17R2.5274 Brc1cccc(c1I)NCc2cccnc2 34a_100020590159_100000733263 [0,2,0,0,0,0|0,0,0]=2 15610 B17R2.5274 Brc1cccc(c1I)NCc2cccnn2 34a_100020590159_100016990269 [0,2,0,0,0,0|1,0,0]=3 15611 B17R2.5274 Brc1cccc(c1I)NCc2cnccn2 34a_100020590159_100016995436 [0,2,0,0,0,0|1,0,0]=3 15612 B17R2.5274 Brc1cccc(c1I)NCc2cncnc2 34a_100020590159_100015196519 [0,2,0,0,0,0|1,0,0]=3 15613 B17R2.5274 Brc1cccc(c1I)OCc2ccccc2 34a_100010187912_100015291786 [0,2,0,0,0,0|2,0,0]=4 15614 B17R2.5274 Brc1cccc(c1I)OCc2ccccc2 7a_100010187912_100000211182 [0,2,0,0,0,0|2,0,0]=4 15615 B17R2.5274 Brc1cccc(c1I)OCc2cccnc2 34a_100010187912_100000733263 [0,2,0,0,0,0|1,0,0]=3 15616 B17R2.5274 Brc1cccc(c1I)OCc2cccnc2 7a_100010187912_100000741622 [0,2,0,0,0,0|1,0,0]=3 15617 B17R2.5274 Brc1cccc(c1I)OCc2cccnn2 34a_100010187912_100016990269 [0,2,0,0,0,0|2,0,0]=4 15618 B17R2.5274 Brc1cccc(c1I)OCc2cccnn2 7a_100010187912_100016990269 [0,2,0,0,0,0|2,0,0]=4 15619 B17R2.5274 Brc1cccc(c1I)OCc2cnccn2 34a_100010187912_100016995436 [0,2,0,0,0,0|2,0,0]=4 15620 B17R2.5274 Brc1cccc(c1I)OCc2cnccn2 7a_100010187912_100016995436 [0,2,0,0,0,0|2,0,0]=4 15621 B17R2.5274 Brc1cccc(c1I)OCc2cncnc2 34a_100010187912_100015196519 [0,2,0,0,0,0|2,0,0]=4 15622 B17R2.5274 Brc1cccc(c1I)OCc2cncnc2 7a_100010187912_100015196519 [0,2,0,0,0,0|2,0,0]=4 15623 B17R2.5274 Cc1c(cccc1C=Cc2cccnc2)Br 271570a_100102525586_100012353703 [0,2,0,0,0,0|1,0,1]=4 15624 B17R2.5274 Cc1c(cccc1C=Cc2cccnc2)Cl 271570a_100102525586_100000726075 [0,2,0,0,0,0|1,0,1]=4 15625 B17R2.5274 Cc1c(cccc1C=Cc2cccnc2)F 271570a_100102525586_100011216893 [0,2,0,0,0,0|1,0,1]=4 15626 B17R2.5274 Cc1c(cccc1C=Cc2cccnc2)N 271570a_100102525586_100000761887 [0,2,0,0,0,0|1,0,1]=4 15627 B17R2.5274 Cc1c(cccc1C=Cc2cccnc2)O 271570a_100102525586_100012002258 [0,2,0,0,0,0|1,0,1]=4 15628 B17R2.5274 Cc1c(cccc1CNc2ccccc2)Br 207a_100000106764_100012179384 [0,2,0,0,0,0|1,0,0]=3 15629 B17R2.5274 Cc1c(cccc1CNc2ccccc2)Br 270302a_100000106764_100012179384 [0,2,0,0,0,0|1,0,0]=3 15630 B17R2.5274 Cc1c(cccc1CNc2ccccc2)Br 34a_100000106764_100000694682 [0,2,0,0,0,0|1,0,0]=3 15631 B17R2.5274 Cc1c(cccc1CNc2ccccc2)Cl 207a_100000106764_100012002129 [0,2,0,0,0,0|1,0,0]=3 15632 B17R2.5274 Cc1c(cccc1CNc2ccccc2)Cl 270302a_100000106764_100012002129 [0,2,0,0,0,0|1,0,0]=3 15633 B17R2.5274 Cc1c(cccc1CNc2ccccc2)Cl 34a_100000106764_100012186920 [0,2,0,0,0,0|1,0,0]=3 15634 B17R2.5274 Cc1c(cccc1CNc2ccccc2)F 207a_100000106764_100000037668 [0,2,0,0,0,0|1,0,0]=3 15635 B17R2.5274 Cc1c(cccc1CNc2ccccc2)F 270302a_100000106764_100000037668 [0,2,0,0,0,0|1,0,0]=3 15636 B17R2.5274 Cc1c(cccc1CNc2ccccc2)F 34a_100000106764_100009813626 [0,2,0,0,0,0|1,0,0]=3 15637 B17R2.5274 Cc1c(cccc1CNc2ccccc2)I 34a_100000106764_100010150147 [0,2,0,0,0,0|1,0,0]=3 15638 B17R2.5274 Cc1c(cccc1COc2ccccc2)Br 34a_100000210340_100000694682 [0,2,0,0,0,0|2,0,0]=4 15639 B17R2.5274 Cc1c(cccc1COc2ccccc2)Br 7a_100000210340_100000694682 [0,2,0,0,0,0|2,0,0]=4 15640 B17R2.5274 Cc1c(cccc1COc2ccccc2)Cl 34a_100000210340_100012186920 [0,2,0,0,0,0|2,0,0]=4 15641 B17R2.5274 Cc1c(cccc1COc2ccccc2)Cl 7a_100000210340_100012186920 [0,2,0,0,0,0|2,0,0]=4 15642 B17R2.5274 Cc1c(cccc1COc2ccccc2)F 34a_100000210340_100009813626 [0,2,0,0,0,0|2,0,0]=4 15643 B17R2.5274 Cc1c(cccc1COc2ccccc2)F 7a_100000210340_100009813626 [0,2,0,0,0,0|2,0,0]=4 15644 B17R2.5274 Cc1c(cccc1COc2ccccc2)I 34a_100000210340_100010150147 [0,2,0,0,0,0|2,0,0]=4 15645 B17R2.5274 Cc1c(cccc1COc2ccccc2)I 7a_100000210340_100010150147 [0,2,0,0,0,0|2,0,0]=4 15646 B17R2.5274 Cc1c(cccc1COc2cccnc2)Br 34a_100000210849_100000694682 [0,2,0,0,0,0|2,0,0]=4 15647 B17R2.5274 Cc1c(cccc1COc2cccnc2)Br 7a_100000210849_100000694682 [0,2,0,0,0,0|2,0,0]=4 15648 B17R2.5274 Cc1c(cccc1COc2cccnc2)Cl 34a_100000210849_100012186920 [0,2,0,0,0,0|2,0,0]=4 15649 B17R2.5274 Cc1c(cccc1COc2cccnc2)Cl 7a_100000210849_100012186920 [0,2,0,0,0,0|2,0,0]=4 15650 B17R2.5274 Cc1c(cccc1COc2cccnc2)F 34a_100000210849_100009813626 [0,2,0,0,0,0|2,0,0]=4 15651 B17R2.5274 Cc1c(cccc1COc2cccnc2)F 7a_100000210849_100009813626 [0,2,0,0,0,0|2,0,0]=4 15652 B17R2.5274 Cc1c(cccc1COc2cccnc2)I 34a_100000210849_100010150147 [0,2,0,0,0,0|2,0,0]=4 15653 B17R2.5274 Cc1c(cccc1COc2cccnc2)I 7a_100000210849_100010150147 [0,2,0,0,0,0|2,0,0]=4 15654 B17R2.5274 Cc1c(cccc1CSc2ccccc2)Br 62a_100000694682_100000041952 [0,2,0,0,0,0|2,0,0]=4 15655 B17R2.5274 Cc1c(cccc1CSc2ccccc2)Br 62a_100000719477_100000694682 [0,2,0,0,0,0|2,0,0]=4 15656 B17R2.5274 Cc1c(cccc1CSc2ccccc2)Cl 62a_100000719477_100012186920 [0,2,0,0,0,0|2,0,0]=4 15657 B17R2.5274 Cc1c(cccc1CSc2ccccc2)Cl 62a_100012186920_100000041952 [0,2,0,0,0,0|2,0,0]=4 15658 B17R2.5274 Cc1c(cccc1CSc2ccccc2)F 62a_100000719477_100009813626 [0,2,0,0,0,0|2,0,0]=4 15659 B17R2.5274 Cc1c(cccc1CSc2ccccc2)F 62a_100009813626_100000041952 [0,2,0,0,0,0|2,0,0]=4 15660 B17R2.5274 Cc1c(cccc1CSc2ccccc2)I 62a_100000719477_100010150147 [0,2,0,0,0,0|2,0,0]=4 15661 B17R2.5274 Cc1c(cccc1CSc2ccccc2)I 62a_100010150147_100000041952 [0,2,0,0,0,0|2,0,0]=4 15662 B17R2.5274 Cc1c(cccc1CSc2cccnc2)Br 62a_100000210063_100000694682 [0,2,0,0,0,0|2,0,0]=4 15663 B17R2.5274 Cc1c(cccc1CSc2cccnc2)Br 62a_100000694682_100000210063 [0,2,0,0,0,0|2,0,0]=4 15664 B17R2.5274 Cc1c(cccc1CSc2cccnc2)Cl 62a_100000210063_100012186920 [0,2,0,0,0,0|2,0,0]=4 15665 B17R2.5274 Cc1c(cccc1CSc2cccnc2)Cl 62a_100012186920_100000210063 [0,2,0,0,0,0|2,0,0]=4 15666 B17R2.5274 Cc1c(cccc1CSc2cccnc2)F 62a_100000210063_100009813626 [0,2,0,0,0,0|2,0,0]=4 15667 B17R2.5274 Cc1c(cccc1CSc2cccnc2)F 62a_100009813626_100000210063 [0,2,0,0,0,0|2,0,0]=4 15668 B17R2.5274 Cc1c(cccc1CSc2cccnc2)I 62a_100000210063_100010150147 [0,2,0,0,0,0|2,0,0]=4 15669 B17R2.5274 Cc1c(cccc1CSc2cccnc2)I 62a_100010150147_100000210063 [0,2,0,0,0,0|2,0,0]=4 15670 B17R2.5274 Cc1c(cccc1NCc2ccccc2)Br 207a_100000750434_100015611070 [0,2,0,0,0,0|1,0,0]=3 15671 B17R2.5274 Cc1c(cccc1NCc2ccccc2)Br 270302a_100000750434_100015611070 [0,2,0,0,0,0|1,0,0]=3 15672 B17R2.5274 Cc1c(cccc1NCc2ccccc2)Br 34a_100000750434_100015291786 [0,2,0,0,0,0|1,0,0]=3 15673 B17R2.5274 Cc1c(cccc1NCc2ccccc2)Cl 207a_100000210441_100015611070 [0,2,0,0,0,0|1,0,0]=3 15674 B17R2.5274 Cc1c(cccc1NCc2ccccc2)Cl 2230a_100000210441_100015291786 [0,2,0,0,0,0|1,0,0]=3 15675 B17R2.5274 Cc1c(cccc1NCc2ccccc2)Cl 270302a_100000210441_100015611070 [0,2,0,0,0,0|1,0,0]=3 15676 B17R2.5274 Cc1c(cccc1NCc2ccccc2)Cl 34a_100000210441_100015291786 [0,2,0,0,0,0|1,0,0]=3 15677 B17R2.5274 Cc1c(cccc1NCc2ccccc2)Cl 7a_100000210441_100000211182 [0,2,0,0,0,0|1,0,0]=3 15678 B17R2.5274 Cc1c(cccc1NCc2ccccc2)F 207a_100000745574_100015611070 [0,2,0,0,0,0|1,0,0]=3 15679 B17R2.5274 Cc1c(cccc1NCc2ccccc2)F 270302a_100000745574_100015611070 [0,2,0,0,0,0|1,0,0]=3 15680 B17R2.5274 Cc1c(cccc1NCc2ccccc2)F 34a_100000745574_100015291786 [0,2,0,0,0,0|1,0,0]=3 15681 B17R2.5274 Cc1c(cccc1NCc2ccccc2)F 7a_100000745574_100000211182 [0,2,0,0,0,0|1,0,0]=3 15682 B17R2.5274 Cc1c(cccc1NCc2ccccc2)I 207a_100000761887_100015611070 [0,2,0,0,0,0|1,0,0]=3 15683 B17R2.5274 Cc1c(cccc1NCc2ccccc2)I 270302a_100000761887_100015611070 [0,2,0,0,0,0|1,0,0]=3 15684 B17R2.5274 Cc1c(cccc1NCc2ccccc2)I 34a_100000761887_100015291786 [0,2,0,0,0,0|1,0,0]=3 15685 B17R2.5274 Cc1c(cccc1NCc2ccccc2)O 270302a_100011216573_100015611070 [0,2,0,0,0,0|1,0,0]=3 15686 B17R2.5274 Cc1c(cccc1NCc2ccccc2)O 34a_100011216573_100015291786 [0,2,0,0,0,0|1,0,0]=3 15687 B17R2.5274 Cc1c(cccc1NCc2ccccc2)O 7a_100011216573_100000211182 [0,2,0,0,0,0|1,0,0]=3 15688 B17R2.5274 Cc1c(cccc1NCc2ccccn2)Br 207a_100000750434_100000209966 [0,2,0,0,0,0|2,0,0]=4 15689 B17R2.5274 Cc1c(cccc1NCc2ccccn2)Br 270302a_100000750434_100000209966 [0,2,0,0,0,0|2,0,0]=4 15690 B17R2.5274 Cc1c(cccc1NCc2ccccn2)Br 34a_100000750434_100000721315 [0,2,0,0,0,0|2,0,0]=4 15691 B17R2.5274 Cc1c(cccc1NCc2ccccn2)Cl 207a_100000210441_100000209966 [0,2,0,0,0,0|2,0,0]=4 15692 B17R2.5274 Cc1c(cccc1NCc2ccccn2)Cl 2230a_100000210441_100000721315 [0,2,0,0,0,0|2,0,0]=4 15693 B17R2.5274 Cc1c(cccc1NCc2ccccn2)Cl 270302a_100000210441_100000209966 [0,2,0,0,0,0|2,0,0]=4 15694 B17R2.5274 Cc1c(cccc1NCc2ccccn2)Cl 34a_100000210441_100000721315 [0,2,0,0,0,0|2,0,0]=4 15695 B17R2.5274 Cc1c(cccc1NCc2ccccn2)Cl 7a_100000210441_100000721315 [0,2,0,0,0,0|2,0,0]=4 15696 B17R2.5274 Cc1c(cccc1NCc2ccccn2)F 207a_100000745574_100000209966 [0,2,0,0,0,0|2,0,0]=4 15697 B17R2.5274 Cc1c(cccc1NCc2ccccn2)F 270302a_100000745574_100000209966 [0,2,0,0,0,0|2,0,0]=4 15698 B17R2.5274 Cc1c(cccc1NCc2ccccn2)F 34a_100000745574_100000721315 [0,2,0,0,0,0|2,0,0]=4 15699 B17R2.5274 Cc1c(cccc1NCc2ccccn2)F 7a_100000745574_100000721315 [0,2,0,0,0,0|2,0,0]=4 15700 B17R2.5274 Cc1c(cccc1NCc2ccccn2)I 207a_100000761887_100000209966 [0,2,0,0,0,0|2,0,0]=4 15701 B17R2.5274 Cc1c(cccc1NCc2ccccn2)I 270302a_100000761887_100000209966 [0,2,0,0,0,0|2,0,0]=4 15702 B17R2.5274 Cc1c(cccc1NCc2ccccn2)I 34a_100000761887_100000721315 [0,2,0,0,0,0|2,0,0]=4 15703 B17R2.5274 Cc1c(cccc1NCc2ccccn2)O 270302a_100011216573_100000209966 [0,2,0,0,0,0|2,0,0]=4 15704 B17R2.5274 Cc1c(cccc1NCc2ccccn2)O 34a_100011216573_100000721315 [0,2,0,0,0,0|2,0,0]=4 15705 B17R2.5274 Cc1c(cccc1NCc2ccccn2)O 7a_100011216573_100000721315 [0,2,0,0,0,0|2,0,0]=4 15706 B17R2.5274 Cc1c(cccc1NCc2cccnc2)Br 207a_100000750434_100000209961 [0,2,0,0,0,0|0,0,0]=2 15707 B17R2.5274 Cc1c(cccc1NCc2cccnc2)Br 270302a_100000750434_100000209961 [0,2,0,0,0,0|0,0,0]=2 15708 B17R2.5274 Cc1c(cccc1NCc2cccnc2)Br 34a_100000750434_100000733263 [0,2,0,0,0,0|0,0,0]=2 15709 B17R2.5274 Cc1c(cccc1NCc2cccnc2)Cl 207a_100000210441_100000209961 [0,2,0,0,0,0|0,0,0]=2 15710 B17R2.5274 Cc1c(cccc1NCc2cccnc2)Cl 2230a_100000210441_100000741622 [0,2,0,0,0,0|0,0,0]=2 15711 B17R2.5274 Cc1c(cccc1NCc2cccnc2)Cl 270302a_100000210441_100000209961 [0,2,0,0,0,0|0,0,0]=2 15712 B17R2.5274 Cc1c(cccc1NCc2cccnc2)Cl 34a_100000210441_100000733263 [0,2,0,0,0,0|0,0,0]=2 15713 B17R2.5274 Cc1c(cccc1NCc2cccnc2)Cl 7a_100000210441_100000741622 [0,2,0,0,0,0|0,0,0]=2 15714 B17R2.5274 Cc1c(cccc1NCc2cccnc2)F 207a_100000745574_100000209961 [0,2,0,0,0,0|0,0,0]=2 15715 B17R2.5274 Cc1c(cccc1NCc2cccnc2)F 270302a_100000745574_100000209961 [0,2,0,0,0,0|0,0,0]=2 15716 B17R2.5274 Cc1c(cccc1NCc2cccnc2)F 34a_100000745574_100000733263 [0,2,0,0,0,0|0,0,0]=2 15717 B17R2.5274 Cc1c(cccc1NCc2cccnc2)F 7a_100000745574_100000741622 [0,2,0,0,0,0|0,0,0]=2 15718 B17R2.5274 Cc1c(cccc1NCc2cccnc2)I 207a_100000761887_100000209961 [0,2,0,0,0,0|0,0,0]=2 15719 B17R2.5274 Cc1c(cccc1NCc2cccnc2)I 270302a_100000761887_100000209961 [0,2,0,0,0,0|0,0,0]=2 15720 B17R2.5274 Cc1c(cccc1NCc2cccnc2)I 34a_100000761887_100000733263 [0,2,0,0,0,0|0,0,0]=2 15721 B17R2.5274 Cc1c(cccc1NCc2cccnc2)O 270302a_100011216573_100000209961 [0,2,0,0,0,0|0,0,0]=2 15722 B17R2.5274 Cc1c(cccc1NCc2cccnc2)O 34a_100011216573_100000733263 [0,2,0,0,0,0|0,0,0]=2 15723 B17R2.5274 Cc1c(cccc1NCc2cccnc2)O 7a_100011216573_100000741622 [0,2,0,0,0,0|0,0,0]=2 15724 B17R2.5274 Cc1c(cccc1NCc2cccnn2)Br 34a_100000750434_100016990269 [0,2,0,0,0,0|1,0,0]=3 15725 B17R2.5274 Cc1c(cccc1NCc2cccnn2)Cl 2230a_100000210441_100016990269 [0,2,0,0,0,0|1,0,0]=3 15726 B17R2.5274 Cc1c(cccc1NCc2cccnn2)Cl 34a_100000210441_100016990269 [0,2,0,0,0,0|1,0,0]=3 15727 B17R2.5274 Cc1c(cccc1NCc2cccnn2)Cl 7a_100000210441_100016990269 [0,2,0,0,0,0|1,0,0]=3 15728 B17R2.5274 Cc1c(cccc1NCc2cccnn2)F 34a_100000745574_100016990269 [0,2,0,0,0,0|1,0,0]=3 15729 B17R2.5274 Cc1c(cccc1NCc2cccnn2)F 7a_100000745574_100016990269 [0,2,0,0,0,0|1,0,0]=3 15730 B17R2.5274 Cc1c(cccc1NCc2cccnn2)I 34a_100000761887_100016990269 [0,2,0,0,0,0|1,0,0]=3 15731 B17R2.5274 Cc1c(cccc1NCc2cccnn2)O 34a_100011216573_100016990269 [0,2,0,0,0,0|1,0,0]=3 15732 B17R2.5274 Cc1c(cccc1NCc2cccnn2)O 7a_100011216573_100016990269 [0,2,0,0,0,0|1,0,0]=3 15733 B17R2.5274 Cc1c(cccc1NCc2ccncc2)Br 207a_100000750434_100000186114 [0,2,0,0,0,0|2,0,0]=4 15734 B17R2.5274 Cc1c(cccc1NCc2ccncc2)Cl 207a_100000210441_100000186114 [0,2,0,0,0,0|2,0,0]=4 15735 B17R2.5274 Cc1c(cccc1NCc2ccncc2)Cl 2230a_100000210441_100015193705 [0,2,0,0,0,0|2,0,0]=4 15736 B17R2.5274 Cc1c(cccc1NCc2ccncc2)Cl 7a_100000210441_100015193705 [0,2,0,0,0,0|2,0,0]=4 15737 B17R2.5274 Cc1c(cccc1NCc2ccncc2)F 207a_100000745574_100000186114 [0,2,0,0,0,0|2,0,0]=4 15738 B17R2.5274 Cc1c(cccc1NCc2ccncc2)F 7a_100000745574_100015193705 [0,2,0,0,0,0|2,0,0]=4 15739 B17R2.5274 Cc1c(cccc1NCc2ccncc2)I 207a_100000761887_100000186114 [0,2,0,0,0,0|2,0,0]=4 15740 B17R2.5274 Cc1c(cccc1NCc2ccncc2)O 7a_100011216573_100015193705 [0,2,0,0,0,0|2,0,0]=4 15741 B17R2.5274 Cc1c(cccc1NCc2ccnnc2)Br 270302a_100000750434_100011934578 [0,2,0,0,0,0|1,0,0]=3 15742 B17R2.5274 Cc1c(cccc1NCc2ccnnc2)Cl 270302a_100000210441_100011934578 [0,2,0,0,0,0|1,0,0]=3 15743 B17R2.5274 Cc1c(cccc1NCc2ccnnc2)F 270302a_100000745574_100011934578 [0,2,0,0,0,0|1,0,0]=3 15744 B17R2.5274 Cc1c(cccc1NCc2ccnnc2)I 270302a_100000761887_100011934578 [0,2,0,0,0,0|1,0,0]=3 15745 B17R2.5274 Cc1c(cccc1NCc2ccnnc2)O 270302a_100011216573_100011934578 [0,2,0,0,0,0|1,0,0]=3 15746 B17R2.5274 Cc1c(cccc1NCc2cnccn2)Br 34a_100000750434_100016995436 [0,2,0,0,0,0|1,0,0]=3 15747 B17R2.5274 Cc1c(cccc1NCc2cnccn2)Cl 2230a_100000210441_100016995436 [0,2,0,0,0,0|1,0,0]=3 15748 B17R2.5274 Cc1c(cccc1NCc2cnccn2)Cl 34a_100000210441_100016995436 [0,2,0,0,0,0|1,0,0]=3 15749 B17R2.5274 Cc1c(cccc1NCc2cnccn2)Cl 7a_100000210441_100016995436 [0,2,0,0,0,0|1,0,0]=3 15750 B17R2.5274 Cc1c(cccc1NCc2cnccn2)F 34a_100000745574_100016995436 [0,2,0,0,0,0|1,0,0]=3 15751 B17R2.5274 Cc1c(cccc1NCc2cnccn2)F 7a_100000745574_100016995436 [0,2,0,0,0,0|1,0,0]=3 15752 B17R2.5274 Cc1c(cccc1NCc2cnccn2)I 34a_100000761887_100016995436 [0,2,0,0,0,0|1,0,0]=3 15753 B17R2.5274 Cc1c(cccc1NCc2cnccn2)O 34a_100011216573_100016995436 [0,2,0,0,0,0|1,0,0]=3 15754 B17R2.5274 Cc1c(cccc1NCc2cnccn2)O 7a_100011216573_100016995436 [0,2,0,0,0,0|1,0,0]=3 15755 B17R2.5274 Cc1c(cccc1NCc2cncnc2)Br 270302a_100000750434_100000749868 [0,2,0,0,0,0|1,0,0]=3 15756 B17R2.5274 Cc1c(cccc1NCc2cncnc2)Br 34a_100000750434_100015196519 [0,2,0,0,0,0|1,0,0]=3 15757 B17R2.5274 Cc1c(cccc1NCc2cncnc2)Cl 2230a_100000210441_100015196519 [0,2,0,0,0,0|1,0,0]=3 15758 B17R2.5274 Cc1c(cccc1NCc2cncnc2)Cl 270302a_100000210441_100000749868 [0,2,0,0,0,0|1,0,0]=3 15759 B17R2.5274 Cc1c(cccc1NCc2cncnc2)Cl 34a_100000210441_100015196519 [0,2,0,0,0,0|1,0,0]=3 15760 B17R2.5274 Cc1c(cccc1NCc2cncnc2)Cl 7a_100000210441_100015196519 [0,2,0,0,0,0|1,0,0]=3 15761 B17R2.5274 Cc1c(cccc1NCc2cncnc2)F 270302a_100000745574_100000749868 [0,2,0,0,0,0|1,0,0]=3 15762 B17R2.5274 Cc1c(cccc1NCc2cncnc2)F 34a_100000745574_100015196519 [0,2,0,0,0,0|1,0,0]=3 15763 B17R2.5274 Cc1c(cccc1NCc2cncnc2)F 7a_100000745574_100015196519 [0,2,0,0,0,0|1,0,0]=3 15764 B17R2.5274 Cc1c(cccc1NCc2cncnc2)I 270302a_100000761887_100000749868 [0,2,0,0,0,0|1,0,0]=3 15765 B17R2.5274 Cc1c(cccc1NCc2cncnc2)I 34a_100000761887_100015196519 [0,2,0,0,0,0|1,0,0]=3 15766 B17R2.5274 Cc1c(cccc1NCc2cncnc2)O 270302a_100011216573_100000749868 [0,2,0,0,0,0|1,0,0]=3 15767 B17R2.5274 Cc1c(cccc1NCc2cncnc2)O 34a_100011216573_100015196519 [0,2,0,0,0,0|1,0,0]=3 15768 B17R2.5274 Cc1c(cccc1NCc2cncnc2)O 7a_100011216573_100015196519 [0,2,0,0,0,0|1,0,0]=3 15769 B17R2.5274 Cc1c(cccc1OCc2ccccc2)Br 34a_100012002258_100015291786 [0,2,0,0,0,0|2,0,0]=4 15770 B17R2.5274 Cc1c(cccc1OCc2ccccc2)Br 7a_100012002258_100000211182 [0,2,0,0,0,0|2,0,0]=4 15771 B17R2.5274 Cc1c(cccc1OCc2ccccc2)Cl 34a_100011265684_100015291786 [0,2,0,0,0,0|2,0,0]=4 15772 B17R2.5274 Cc1c(cccc1OCc2ccccc2)Cl 7a_100011265684_100000211182 [0,2,0,0,0,0|2,0,0]=4 15773 B17R2.5274 Cc1c(cccc1OCc2ccccc2)F 34a_100011217231_100015291786 [0,2,0,0,0,0|2,0,0]=4 15774 B17R2.5274 Cc1c(cccc1OCc2ccccc2)F 7a_100011217231_100000211182 [0,2,0,0,0,0|2,0,0]=4 15775 B17R2.5274 Cc1c(cccc1OCc2ccccc2)N 34a_100011216573_100015291786 [0,2,0,0,0,0|2,0,0]=4 15776 B17R2.5274 Cc1c(cccc1OCc2ccccc2)N 7a_100011216573_100000211182 [0,2,0,0,0,0|2,0,0]=4 15777 B17R2.5274 Cc1c(cccc1OCc2cccnc2)Br 34a_100012002258_100000733263 [0,2,0,0,0,0|1,0,0]=3 15778 B17R2.5274 Cc1c(cccc1OCc2cccnc2)Br 7a_100012002258_100000741622 [0,2,0,0,0,0|1,0,0]=3 15779 B17R2.5274 Cc1c(cccc1OCc2cccnc2)Cl 34a_100011265684_100000733263 [0,2,0,0,0,0|1,0,0]=3 15780 B17R2.5274 Cc1c(cccc1OCc2cccnc2)Cl 7a_100011265684_100000741622 [0,2,0,0,0,0|1,0,0]=3 15781 B17R2.5274 Cc1c(cccc1OCc2cccnc2)F 34a_100011217231_100000733263 [0,2,0,0,0,0|1,0,0]=3 15782 B17R2.5274 Cc1c(cccc1OCc2cccnc2)F 7a_100011217231_100000741622 [0,2,0,0,0,0|1,0,0]=3 15783 B17R2.5274 Cc1c(cccc1OCc2cccnc2)N 34a_100011216573_100000733263 [0,2,0,0,0,0|1,0,0]=3 15784 B17R2.5274 Cc1c(cccc1OCc2cccnc2)N 7a_100011216573_100000741622 [0,2,0,0,0,0|1,0,0]=3 15785 B17R2.5274 Cc1c(cccc1OCc2cccnn2)Br 34a_100012002258_100016990269 [0,2,0,0,0,0|2,0,0]=4 15786 B17R2.5274 Cc1c(cccc1OCc2cccnn2)Br 7a_100012002258_100016990269 [0,2,0,0,0,0|2,0,0]=4 15787 B17R2.5274 Cc1c(cccc1OCc2cccnn2)Cl 34a_100011265684_100016990269 [0,2,0,0,0,0|2,0,0]=4 15788 B17R2.5274 Cc1c(cccc1OCc2cccnn2)Cl 7a_100011265684_100016990269 [0,2,0,0,0,0|2,0,0]=4 15789 B17R2.5274 Cc1c(cccc1OCc2cccnn2)F 34a_100011217231_100016990269 [0,2,0,0,0,0|2,0,0]=4 15790 B17R2.5274 Cc1c(cccc1OCc2cccnn2)F 7a_100011217231_100016990269 [0,2,0,0,0,0|2,0,0]=4 15791 B17R2.5274 Cc1c(cccc1OCc2cccnn2)N 34a_100011216573_100016990269 [0,2,0,0,0,0|2,0,0]=4 15792 B17R2.5274 Cc1c(cccc1OCc2cccnn2)N 7a_100011216573_100016990269 [0,2,0,0,0,0|2,0,0]=4 15793 B17R2.5274 Cc1c(cccc1OCc2cnccn2)Br 34a_100012002258_100016995436 [0,2,0,0,0,0|2,0,0]=4 15794 B17R2.5274 Cc1c(cccc1OCc2cnccn2)Br 7a_100012002258_100016995436 [0,2,0,0,0,0|2,0,0]=4 15795 B17R2.5274 Cc1c(cccc1OCc2cnccn2)Cl 34a_100011265684_100016995436 [0,2,0,0,0,0|2,0,0]=4 15796 B17R2.5274 Cc1c(cccc1OCc2cnccn2)Cl 7a_100011265684_100016995436 [0,2,0,0,0,0|2,0,0]=4 15797 B17R2.5274 Cc1c(cccc1OCc2cnccn2)F 34a_100011217231_100016995436 [0,2,0,0,0,0|2,0,0]=4 15798 B17R2.5274 Cc1c(cccc1OCc2cnccn2)F 7a_100011217231_100016995436 [0,2,0,0,0,0|2,0,0]=4 15799 B17R2.5274 Cc1c(cccc1OCc2cnccn2)N 34a_100011216573_100016995436 [0,2,0,0,0,0|2,0,0]=4 15800 B17R2.5274 Cc1c(cccc1OCc2cnccn2)N 7a_100011216573_100016995436 [0,2,0,0,0,0|2,0,0]=4 15801 B17R2.5274 Cc1c(cccc1OCc2cncnc2)Br 34a_100012002258_100015196519 [0,2,0,0,0,0|2,0,0]=4 15802 B17R2.5274 Cc1c(cccc1OCc2cncnc2)Br 7a_100012002258_100015196519 [0,2,0,0,0,0|2,0,0]=4 15803 B17R2.5274 Cc1c(cccc1OCc2cncnc2)Cl 34a_100011265684_100015196519 [0,2,0,0,0,0|2,0,0]=4 15804 B17R2.5274 Cc1c(cccc1OCc2cncnc2)Cl 7a_100011265684_100015196519 [0,2,0,0,0,0|2,0,0]=4 15805 B17R2.5274 Cc1c(cccc1OCc2cncnc2)F 34a_100011217231_100015196519 [0,2,0,0,0,0|2,0,0]=4 15806 B17R2.5274 Cc1c(cccc1OCc2cncnc2)F 7a_100011217231_100015196519 [0,2,0,0,0,0|2,0,0]=4 15807 B17R2.5274 Cc1c(cccc1OCc2cncnc2)N 34a_100011216573_100015196519 [0,2,0,0,0,0|2,0,0]=4 15808 B17R2.5274 Cc1c(cccc1OCc2cncnc2)N 7a_100011216573_100015196519 [0,2,0,0,0,0|2,0,0]=4 15809 B17R2.5274 Cc1c(cccc1SCc2ccccc2)Br 62a_100000211182_100012353703 [0,2,0,0,0,0|2,0,0]=4 15810 B17R2.5274 Cc1c(cccc1SCc2ccccc2)Br 62a_100012353703_100015291786 [0,2,0,0,0,0|2,0,0]=4 15811 B17R2.5274 Cc1c(cccc1SCc2ccccc2)Cl 62a_100000211182_100000726075 [0,2,0,0,0,0|2,0,0]=4 15812 B17R2.5274 Cc1c(cccc1SCc2ccccc2)Cl 62a_100000726075_100015291786 [0,2,0,0,0,0|2,0,0]=4 15813 B17R2.5274 Cc1c(cccc1SCc2ccccc2)F 62a_100000211182_100011216893 [0,2,0,0,0,0|2,0,0]=4 15814 B17R2.5274 Cc1c(cccc1SCc2ccccc2)F 62a_100011216893_100015291786 [0,2,0,0,0,0|2,0,0]=4 15815 B17R2.5274 Cc1c(cccc1SCc2ccccc2)N 62a_100000211182_100000761887 [0,2,0,0,0,0|2,0,0]=4 15816 B17R2.5274 Cc1c(cccc1SCc2ccccc2)N 62a_100000761887_100015291786 [0,2,0,0,0,0|2,0,0]=4 15817 B17R2.5274 Cc1c(cccc1SCc2ccccc2)O 62a_100000211182_100012002258 [0,2,0,0,0,0|2,0,0]=4 15818 B17R2.5274 Cc1c(cccc1SCc2ccccc2)O 62a_100012002258_100015291786 [0,2,0,0,0,0|2,0,0]=4 15819 B17R2.5274 Cc1c(cccc1SCc2cccnc2)Br 62a_100000741622_100012353703 [0,2,0,0,0,0|1,0,0]=3 15820 B17R2.5274 Cc1c(cccc1SCc2cccnc2)Br 62a_100012353703_100000741622 [0,2,0,0,0,0|1,0,0]=3 15821 B17R2.5274 Cc1c(cccc1SCc2cccnc2)Cl 62a_100000726075_100000741622 [0,2,0,0,0,0|1,0,0]=3 15822 B17R2.5274 Cc1c(cccc1SCc2cccnc2)Cl 62a_100000741622_100000726075 [0,2,0,0,0,0|1,0,0]=3 15823 B17R2.5274 Cc1c(cccc1SCc2cccnc2)F 62a_100000741622_100011216893 [0,2,0,0,0,0|1,0,0]=3 15824 B17R2.5274 Cc1c(cccc1SCc2cccnc2)F 62a_100011216893_100000741622 [0,2,0,0,0,0|1,0,0]=3 15825 B17R2.5274 Cc1c(cccc1SCc2cccnc2)N 62a_100000741622_100000761887 [0,2,0,0,0,0|1,0,0]=3 15826 B17R2.5274 Cc1c(cccc1SCc2cccnc2)N 62a_100000761887_100000741622 [0,2,0,0,0,0|1,0,0]=3 15827 B17R2.5274 Cc1c(cccc1SCc2cccnc2)O 62a_100000741622_100012002258 [0,2,0,0,0,0|1,0,0]=3 15828 B17R2.5274 Cc1c(cccc1SCc2cccnc2)O 62a_100012002258_100000741622 [0,2,0,0,0,0|1,0,0]=3 15829 B17R2.5274 Cc1c(cccc1SCc2cccnn2)Br 62a_100012353703_100016990269 [0,2,0,0,0,0|2,0,0]=4 15830 B17R2.5274 Cc1c(cccc1SCc2cccnn2)Br 62a_100016990269_100012353703 [0,2,0,0,0,0|2,0,0]=4 15831 B17R2.5274 Cc1c(cccc1SCc2cccnn2)Cl 62a_100000726075_100016990269 [0,2,0,0,0,0|2,0,0]=4 15832 B17R2.5274 Cc1c(cccc1SCc2cccnn2)Cl 62a_100016990269_100000726075 [0,2,0,0,0,0|2,0,0]=4 15833 B17R2.5274 Cc1c(cccc1SCc2cccnn2)F 62a_100011216893_100016990269 [0,2,0,0,0,0|2,0,0]=4 15834 B17R2.5274 Cc1c(cccc1SCc2cccnn2)F 62a_100016990269_100011216893 [0,2,0,0,0,0|2,0,0]=4 15835 B17R2.5274 Cc1c(cccc1SCc2cccnn2)N 62a_100000761887_100016990269 [0,2,0,0,0,0|2,0,0]=4 15836 B17R2.5274 Cc1c(cccc1SCc2cccnn2)N 62a_100016990269_100000761887 [0,2,0,0,0,0|2,0,0]=4 15837 B17R2.5274 Cc1c(cccc1SCc2cccnn2)O 62a_100012002258_100016990269 [0,2,0,0,0,0|2,0,0]=4 15838 B17R2.5274 Cc1c(cccc1SCc2cccnn2)O 62a_100016990269_100012002258 [0,2,0,0,0,0|2,0,0]=4 15839 B17R2.5274 Cc1c(cccc1SCc2cnccn2)Br 62a_100012353703_100016995436 [0,2,0,0,0,0|2,0,0]=4 15840 B17R2.5274 Cc1c(cccc1SCc2cnccn2)Br 62a_100016995436_100012353703 [0,2,0,0,0,0|2,0,0]=4 15841 B17R2.5274 Cc1c(cccc1SCc2cnccn2)Cl 62a_100000726075_100016995436 [0,2,0,0,0,0|2,0,0]=4 15842 B17R2.5274 Cc1c(cccc1SCc2cnccn2)Cl 62a_100016995436_100000726075 [0,2,0,0,0,0|2,0,0]=4 15843 B17R2.5274 Cc1c(cccc1SCc2cnccn2)F 62a_100011216893_100016995436 [0,2,0,0,0,0|2,0,0]=4 15844 B17R2.5274 Cc1c(cccc1SCc2cnccn2)F 62a_100016995436_100011216893 [0,2,0,0,0,0|2,0,0]=4 15845 B17R2.5274 Cc1c(cccc1SCc2cnccn2)N 62a_100000761887_100016995436 [0,2,0,0,0,0|2,0,0]=4 15846 B17R2.5274 Cc1c(cccc1SCc2cnccn2)N 62a_100016995436_100000761887 [0,2,0,0,0,0|2,0,0]=4 15847 B17R2.5274 Cc1c(cccc1SCc2cnccn2)O 62a_100012002258_100016995436 [0,2,0,0,0,0|2,0,0]=4 15848 B17R2.5274 Cc1c(cccc1SCc2cnccn2)O 62a_100016995436_100012002258 [0,2,0,0,0,0|2,0,0]=4 15849 B17R2.5274 Cc1c(cccc1SCc2cncnc2)Br 62a_100012353703_100015196519 [0,2,0,0,0,0|2,0,0]=4 15850 B17R2.5274 Cc1c(cccc1SCc2cncnc2)Br 62a_100015196519_100012353703 [0,2,0,0,0,0|2,0,0]=4 15851 B17R2.5274 Cc1c(cccc1SCc2cncnc2)Cl 62a_100000726075_100015196519 [0,2,0,0,0,0|2,0,0]=4 15852 B17R2.5274 Cc1c(cccc1SCc2cncnc2)Cl 62a_100015196519_100000726075 [0,2,0,0,0,0|2,0,0]=4 15853 B17R2.5274 Cc1c(cccc1SCc2cncnc2)F 62a_100011216893_100015196519 [0,2,0,0,0,0|2,0,0]=4 15854 B17R2.5274 Cc1c(cccc1SCc2cncnc2)F 62a_100015196519_100011216893 [0,2,0,0,0,0|2,0,0]=4 15855 B17R2.5274 Cc1c(cccc1SCc2cncnc2)N 62a_100000761887_100015196519 [0,2,0,0,0,0|2,0,0]=4 15856 B17R2.5274 Cc1c(cccc1SCc2cncnc2)N 62a_100015196519_100000761887 [0,2,0,0,0,0|2,0,0]=4 15857 B17R2.5274 Cc1c(cccc1SCc2cncnc2)O 62a_100012002258_100015196519 [0,2,0,0,0,0|2,0,0]=4 15858 B17R2.5274 Cc1c(cccc1SCc2cncnc2)O 62a_100015196519_100012002258 [0,2,0,0,0,0|2,0,0]=4 15859 B17R2.5274 Cc1c(ccnc1CNc2ccccc2)Cl 34a_100000106764_100020614443 [0,2,0,0,0,0|2,0,0]=4 15860 B17R2.5274 Cc1c(ccnc1Cl)CNc2ccccc2 207a_100000106764_100000096011 [0,2,0,0,0,0|2,0,0]=4 15861 B17R2.5274 Cc1c(ccnc1Cl)SCc2cccnc2 62a_100000047055_100000741622 [0,2,0,0,0,0|2,0,0]=4 15862 B17R2.5274 Cc1c(ccnc1Cl)SCc2cccnc2 62a_100000741622_100000047055 [0,2,0,0,0,0|2,0,0]=4 15863 B17R2.5274 Cc1c(ccnc1F)NCc2ccccc2 27a_100015324214_100010006593 [0,2,0,0,0,0|2,0,0]=4 15864 B17R2.5274 Cc1c(ccnc1F)NCc2cccnc2 27a_100000210453_100010006593 [0,2,0,0,0,0|1,0,0]=3 15865 B17R2.5274 Cc1c(ccnc1F)NCc2cccnn2 27a_100159270163_100010006593 [0,2,0,0,0,0|2,0,0]=4 15866 B17R2.5274 Cc1c(ccnc1F)NCc2cnccn2 27a_100000737960_100010006593 [0,2,0,0,0,0|2,0,0]=4 15867 B17R2.5274 Cc1c(ccnc1F)NCc2cncnc2 27a_100011243677_100010006593 [0,2,0,0,0,0|2,0,0]=4 15868 B17R2.5274 Cc1c(ccnc1F)SCc2cccnc2 62a_100000741622_100010006593 [0,2,0,0,0,0|2,0,0]=4 15869 B17R2.5274 Cc1c(ccnc1F)SCc2cccnc2 62a_100010006593_100000741622 [0,2,0,0,0,0|2,0,0]=4 15870 B17R2.5274 Cc1c(ccnc1N)SCc2cccnc2 62a_100000741622_100009865460 [0,2,0,0,0,0|2,0,0]=4 15871 B17R2.5274 Cc1c(ccnc1N)SCc2cccnc2 62a_100009865460_100000741622 [0,2,0,0,0,0|2,0,0]=4 15872 B17R2.5274 Cc1c(ccnc1NCc2ccccc2)F 27a_100015324214_100009846374 [0,2,0,0,0,0|2,0,0]=4 15873 B17R2.5274 Cc1c(ccnc1NCc2cccnc2)F 27a_100000210453_100009846374 [0,2,0,0,0,0|1,0,0]=3 15874 B17R2.5274 Cc1c(ccnc1NCc2cccnn2)F 27a_100159270163_100009846374 [0,2,0,0,0,0|2,0,0]=4 15875 B17R2.5274 Cc1c(ccnc1NCc2cnccn2)F 27a_100000737960_100009846374 [0,2,0,0,0,0|2,0,0]=4 15876 B17R2.5274 Cc1c(ccnc1NCc2cncnc2)F 27a_100011243677_100009846374 [0,2,0,0,0,0|2,0,0]=4 15877 B17R2.5274 Cc1c(ccnc1O)SCc2cccnc2 62a_100000741622_100009858498 [0,2,0,0,0,0|2,0,0]=4 15878 B17R2.5274 Cc1c(ccnc1O)SCc2cccnc2 62a_100009858498_100000741622 [0,2,0,0,0,0|2,0,0]=4 15879 B17R2.5274 Cc1c(ccnc1OCc2cccnc2)Br 34a_100009858498_100000733263 [0,2,0,0,0,0|2,0,0]=4 15880 B17R2.5274 Cc1c(ccnc1SCc2cccnc2)F 62a_100000741622_100009846374 [0,2,0,0,0,0|2,0,0]=4 15881 B17R2.5274 Cc1c(ccnc1SCc2cccnc2)F 62a_100009846374_100000741622 [0,2,0,0,0,0|2,0,0]=4 15882 B17R2.5274 Cc1c(ccnc1SCc2cccnc2)N 62a_100000690622_100000741622 [0,2,0,0,0,0|2,0,0]=4 15883 B17R2.5274 Cc1c(ccnc1SCc2cccnc2)N 62a_100000741622_100000690622 [0,2,0,0,0,0|2,0,0]=4 15884 B17R2.5274 Cc1c(cncc1C#Cc2ccccc2)Br 271570a_100000069678_100010109657 [0,2,0,0,0,0|1,0,1]=4 15885 B17R2.5274 Cc1c(cncc1C#Cc2ccccc2)F 271570a_100000069678_100009881546 [0,2,0,0,0,0|1,0,1]=4 15886 B17R2.5274 Cc1c(cncc1C#Cc2ccccc2)N 271570a_100000069678_100011998293 [0,2,0,0,0,0|1,0,1]=4 15887 B17R2.5274 Cc1c(cncc1C=Cc2ccccc2)Br 271570a_100102527694_100010109657 [0,2,0,0,0,0|1,0,1]=4 15888 B17R2.5274 Cc1c(cncc1C=Cc2ccccc2)F 271570a_100102527694_100009881546 [0,2,0,0,0,0|1,0,1]=4 15889 B17R2.5274 Cc1c(cncc1C=Cc2ccccc2)N 271570a_100102527694_100011998293 [0,2,0,0,0,0|1,0,1]=4 15890 B17R2.5274 Cc1c(cncc1CNc2ccccc2)Br 207a_100000106764_100010214934 [0,2,0,0,0,0|0,0,0]=2 15891 B17R2.5274 Cc1c(cncc1CNc2ccccc2)Br 270302a_100000106764_100010214934 [0,2,0,0,0,0|0,0,0]=2 15892 B17R2.5274 Cc1c(cncc1SCc2ccccc2)Br 62a_100000211182_100010109657 [0,2,0,0,0,0|2,0,0]=4 15893 B17R2.5274 Cc1c(cncc1SCc2ccccc2)Br 62a_100010109657_100015291786 [0,2,0,0,0,0|2,0,0]=4 15894 B17R2.5274 Cc1c(cncc1SCc2ccccc2)F 62a_100000211182_100009881546 [0,2,0,0,0,0|2,0,0]=4 15895 B17R2.5274 Cc1c(cncc1SCc2ccccc2)F 62a_100009881546_100015291786 [0,2,0,0,0,0|2,0,0]=4 15896 B17R2.5274 Cc1c(cncc1SCc2ccccc2)N 62a_100000211182_100011998293 [0,2,0,0,0,0|2,0,0]=4 15897 B17R2.5274 Cc1c(cncc1SCc2ccccc2)N 62a_100011998293_100015291786 [0,2,0,0,0,0|2,0,0]=4 15898 B17R2.5274 Cc1c(cncc1SCc2cccnc2)Br 62a_100000741622_100010109657 [0,2,0,0,0,0|2,0,0]=4 15899 B17R2.5274 Cc1c(cncc1SCc2cccnc2)Br 62a_100010109657_100000741622 [0,2,0,0,0,0|2,0,0]=4 15900 B17R2.5274 Cc1c(cncc1SCc2cccnc2)F 62a_100000741622_100009881546 [0,2,0,0,0,0|2,0,0]=4 15901 B17R2.5274 Cc1c(cncc1SCc2cccnc2)F 62a_100009881546_100000741622 [0,2,0,0,0,0|2,0,0]=4 15902 B17R2.5274 Cc1c(cncc1SCc2cccnc2)N 62a_100000741622_100011998293 [0,2,0,0,0,0|2,0,0]=4 15903 B17R2.5274 Cc1c(cncc1SCc2cccnc2)N 62a_100011998293_100000741622 [0,2,0,0,0,0|2,0,0]=4 15904 B17R2.5274 Cc1c(ncnc1NCc2cccnc2)N 27a_100000210453_100011913465 [0,2,0,0,0,0|2,0,0]=4 15905 B17R2.5274 Cc1c(ncnc1NCc2cccnc2)O 27a_100000210453_100011912821 [0,2,0,0,0,0|2,0,0]=4 15906 B17R2.5274 Cc1cccc(c1Br)CNc2ccccc2 207a_100000106764_100012186367 [0,2,0,0,0,0|1,0,0]=3 15907 B17R2.5274 Cc1cccc(c1Br)CNc2ccccc2 270302a_100000106764_100012186367 [0,2,0,0,0,0|1,0,0]=3 15908 B17R2.5274 Cc1cccc(c1Br)CNc2ccccc2 34a_100000106764_200012349612 [0,2,0,0,0,0|1,0,0]=3 15909 B17R2.5274 Cc1cccc(c1Br)COc2ccccc2 34a_100000210340_200012349612 [0,2,0,0,0,0|2,0,0]=4 15910 B17R2.5274 Cc1cccc(c1Br)COc2ccccc2 7a_100000210340_200012349612 [0,2,0,0,0,0|2,0,0]=4 15911 B17R2.5274 Cc1cccc(c1Br)COc2cccnc2 34a_100000210849_200012349612 [0,2,0,0,0,0|2,0,0]=4 15912 B17R2.5274 Cc1cccc(c1Br)COc2cccnc2 7a_100000210849_200012349612 [0,2,0,0,0,0|2,0,0]=4 15913 B17R2.5274 Cc1cccc(c1Br)CSc2ccccc2 62a_100000719477_200012349612 [0,2,0,0,0,0|2,0,0]=4 15914 B17R2.5274 Cc1cccc(c1Br)CSc2ccccc2 62a_200012349612_100000041952 [0,2,0,0,0,0|2,0,0]=4 15915 B17R2.5274 Cc1cccc(c1Br)CSc2cccnc2 62a_100000210063_200012349612 [0,2,0,0,0,0|2,0,0]=4 15916 B17R2.5274 Cc1cccc(c1Br)CSc2cccnc2 62a_200012349612_100000210063 [0,2,0,0,0,0|2,0,0]=4 15917 B17R2.5274 Cc1cccc(c1Br)NCc2ccccc2 34a_100000684715_100015291786 [0,2,0,0,0,0|1,0,0]=3 15918 B17R2.5274 Cc1cccc(c1Br)NCc2ccccn2 34a_100000684715_100000721315 [0,2,0,0,0,0|2,0,0]=4 15919 B17R2.5274 Cc1cccc(c1Br)NCc2cccnc2 34a_100000684715_100000733263 [0,2,0,0,0,0|0,0,0]=2 15920 B17R2.5274 Cc1cccc(c1Br)NCc2cccnn2 34a_100000684715_100016990269 [0,2,0,0,0,0|1,0,0]=3 15921 B17R2.5274 Cc1cccc(c1Br)NCc2cnccn2 34a_100000684715_100016995436 [0,2,0,0,0,0|1,0,0]=3 15922 B17R2.5274 Cc1cccc(c1Br)NCc2cncnc2 34a_100000684715_100015196519 [0,2,0,0,0,0|1,0,0]=3 15923 B17R2.5274 Cc1cccc(c1Br)OCc2ccccc2 34a_100000686692_100015291786 [0,2,0,0,0,0|2,0,0]=4 15924 B17R2.5274 Cc1cccc(c1Br)OCc2ccccc2 7a_100000686692_100000211182 [0,2,0,0,0,0|2,0,0]=4 15925 B17R2.5274 Cc1cccc(c1Br)OCc2cccnc2 34a_100000686692_100000733263 [0,2,0,0,0,0|1,0,0]=3 15926 B17R2.5274 Cc1cccc(c1Br)OCc2cccnc2 7a_100000686692_100000741622 [0,2,0,0,0,0|1,0,0]=3 15927 B17R2.5274 Cc1cccc(c1Br)OCc2cccnn2 34a_100000686692_100016990269 [0,2,0,0,0,0|2,0,0]=4 15928 B17R2.5274 Cc1cccc(c1Br)OCc2cccnn2 7a_100000686692_100016990269 [0,2,0,0,0,0|2,0,0]=4 15929 B17R2.5274 Cc1cccc(c1Br)OCc2cnccn2 34a_100000686692_100016995436 [0,2,0,0,0,0|2,0,0]=4 15930 B17R2.5274 Cc1cccc(c1Br)OCc2cnccn2 7a_100000686692_100016995436 [0,2,0,0,0,0|2,0,0]=4 15931 B17R2.5274 Cc1cccc(c1Br)OCc2cncnc2 34a_100000686692_100015196519 [0,2,0,0,0,0|2,0,0]=4 15932 B17R2.5274 Cc1cccc(c1Br)OCc2cncnc2 7a_100000686692_100015196519 [0,2,0,0,0,0|2,0,0]=4 15933 B17R2.5274 Cc1cccc(c1Br)SCc2ccccc2 62a_100000211182_100012362457 [0,2,0,0,0,0|2,0,0]=4 15934 B17R2.5274 Cc1cccc(c1Br)SCc2ccccc2 62a_100012362457_100015291786 [0,2,0,0,0,0|2,0,0]=4 15935 B17R2.5274 Cc1cccc(c1Br)SCc2cccnc2 62a_100000741622_100012362457 [0,2,0,0,0,0|1,0,0]=3 15936 B17R2.5274 Cc1cccc(c1Br)SCc2cccnc2 62a_100012362457_100000741622 [0,2,0,0,0,0|1,0,0]=3 15937 B17R2.5274 Cc1cccc(c1Br)SCc2cccnn2 62a_100012362457_100016990269 [0,2,0,0,0,0|2,0,0]=4 15938 B17R2.5274 Cc1cccc(c1Br)SCc2cccnn2 62a_100016990269_100012362457 [0,2,0,0,0,0|2,0,0]=4 15939 B17R2.5274 Cc1cccc(c1Br)SCc2cnccn2 62a_100012362457_100016995436 [0,2,0,0,0,0|2,0,0]=4 15940 B17R2.5274 Cc1cccc(c1Br)SCc2cnccn2 62a_100016995436_100012362457 [0,2,0,0,0,0|2,0,0]=4 15941 B17R2.5274 Cc1cccc(c1Br)SCc2cncnc2 62a_100012362457_100015196519 [0,2,0,0,0,0|2,0,0]=4 15942 B17R2.5274 Cc1cccc(c1Br)SCc2cncnc2 62a_100015196519_100012362457 [0,2,0,0,0,0|2,0,0]=4 15943 B17R2.5274 Cc1cccc(c1C)C=Cc2cccnc2 271570a_100102525586_100011214922 [0,2,0,0,0,0|1,0,1]=4 15944 B17R2.5274 Cc1cccc(c1C)CNc2ccccc2 207a_100000106764_100000229941 [0,2,0,0,0,0|1,0,0]=3 15945 B17R2.5274 Cc1cccc(c1C)CNc2ccccc2 270302a_100000106764_100000229941 [0,2,0,0,0,0|1,0,0]=3 15946 B17R2.5274 Cc1cccc(c1C)CNc2ccccc2 34a_100000106764_100011273979 [0,2,0,0,0,0|1,0,0]=3 15947 B17R2.5274 Cc1cccc(c1C)COc2ccccc2 34a_100000210340_100011273979 [0,2,0,0,0,0|2,0,0]=4 15948 B17R2.5274 Cc1cccc(c1C)COc2ccccc2 7a_100000210340_100011515928 [0,2,0,0,0,0|2,0,0]=4 15949 B17R2.5274 Cc1cccc(c1C)COc2cccnc2 34a_100000210849_100011273979 [0,2,0,0,0,0|2,0,0]=4 15950 B17R2.5274 Cc1cccc(c1C)COc2cccnc2 7a_100000210849_100011515928 [0,2,0,0,0,0|2,0,0]=4 15951 B17R2.5274 Cc1cccc(c1C)CSc2ccccc2 62a_100000719477_100011515928 [0,2,0,0,0,0|2,0,0]=4 15952 B17R2.5274 Cc1cccc(c1C)CSc2ccccc2 62a_100011515928_100000041952 [0,2,0,0,0,0|2,0,0]=4 15953 B17R2.5274 Cc1cccc(c1C)CSc2cccnc2 62a_100000210063_100011515928 [0,2,0,0,0,0|2,0,0]=4 15954 B17R2.5274 Cc1cccc(c1C)CSc2cccnc2 62a_100011515928_100000210063 [0,2,0,0,0,0|2,0,0]=4 15955 B17R2.5274 Cc1cccc(c1C)NCc2ccccc2 207a_100000210026_100015611070 [0,2,0,0,0,0|1,0,0]=3 15956 B17R2.5274 Cc1cccc(c1C)NCc2ccccc2 2230a_100000210026_100015291786 [0,2,0,0,0,0|1,0,0]=3 15957 B17R2.5274 Cc1cccc(c1C)NCc2ccccc2 270302a_100000210026_100015611070 [0,2,0,0,0,0|1,0,0]=3 15958 B17R2.5274 Cc1cccc(c1C)NCc2ccccc2 34a_100000210026_100015291786 [0,2,0,0,0,0|1,0,0]=3 15959 B17R2.5274 Cc1cccc(c1C)NCc2ccccc2 7a_100000210026_100000211182 [0,2,0,0,0,0|1,0,0]=3 15960 B17R2.5274 Cc1cccc(c1C)NCc2ccccn2 207a_100000210026_100000209966 [0,2,0,0,0,0|2,0,0]=4 15961 B17R2.5274 Cc1cccc(c1C)NCc2ccccn2 2230a_100000210026_100000721315 [0,2,0,0,0,0|2,0,0]=4 15962 B17R2.5274 Cc1cccc(c1C)NCc2ccccn2 270302a_100000210026_100000209966 [0,2,0,0,0,0|2,0,0]=4 15963 B17R2.5274 Cc1cccc(c1C)NCc2ccccn2 34a_100000210026_100000721315 [0,2,0,0,0,0|2,0,0]=4 15964 B17R2.5274 Cc1cccc(c1C)NCc2ccccn2 7a_100000210026_100000721315 [0,2,0,0,0,0|2,0,0]=4 15965 B17R2.5274 Cc1cccc(c1C)NCc2cccnc2 207a_100000210026_100000209961 [0,2,0,0,0,0|0,0,0]=2 15966 B17R2.5274 Cc1cccc(c1C)NCc2cccnc2 2230a_100000210026_100000741622 [0,2,0,0,0,0|0,0,0]=2 15967 B17R2.5274 Cc1cccc(c1C)NCc2cccnc2 270302a_100000210026_100000209961 [0,2,0,0,0,0|0,0,0]=2 15968 B17R2.5274 Cc1cccc(c1C)NCc2cccnc2 34a_100000210026_100000733263 [0,2,0,0,0,0|0,0,0]=2 15969 B17R2.5274 Cc1cccc(c1C)NCc2cccnc2 7a_100000210026_100000741622 [0,2,0,0,0,0|0,0,0]=2 15970 B17R2.5274 Cc1cccc(c1C)NCc2cccnn2 2230a_100000210026_100016990269 [0,2,0,0,0,0|1,0,0]=3 15971 B17R2.5274 Cc1cccc(c1C)NCc2cccnn2 34a_100000210026_100016990269 [0,2,0,0,0,0|1,0,0]=3 15972 B17R2.5274 Cc1cccc(c1C)NCc2cccnn2 7a_100000210026_100016990269 [0,2,0,0,0,0|1,0,0]=3 15973 B17R2.5274 Cc1cccc(c1C)NCc2ccncc2 207a_100000210026_100000186114 [0,2,0,0,0,0|2,0,0]=4 15974 B17R2.5274 Cc1cccc(c1C)NCc2ccncc2 2230a_100000210026_100015193705 [0,2,0,0,0,0|2,0,0]=4 15975 B17R2.5274 Cc1cccc(c1C)NCc2ccncc2 7a_100000210026_100015193705 [0,2,0,0,0,0|2,0,0]=4 15976 B17R2.5274 Cc1cccc(c1C)NCc2ccnnc2 270302a_100000210026_100011934578 [0,2,0,0,0,0|1,0,0]=3 15977 B17R2.5274 Cc1cccc(c1C)NCc2cnccn2 2230a_100000210026_100016995436 [0,2,0,0,0,0|1,0,0]=3 15978 B17R2.5274 Cc1cccc(c1C)NCc2cnccn2 34a_100000210026_100016995436 [0,2,0,0,0,0|1,0,0]=3 15979 B17R2.5274 Cc1cccc(c1C)NCc2cnccn2 7a_100000210026_100016995436 [0,2,0,0,0,0|1,0,0]=3 15980 B17R2.5274 Cc1cccc(c1C)NCc2cncnc2 2230a_100000210026_100015196519 [0,2,0,0,0,0|1,0,0]=3 15981 B17R2.5274 Cc1cccc(c1C)NCc2cncnc2 270302a_100000210026_100000749868 [0,2,0,0,0,0|1,0,0]=3 15982 B17R2.5274 Cc1cccc(c1C)NCc2cncnc2 34a_100000210026_100015196519 [0,2,0,0,0,0|1,0,0]=3 15983 B17R2.5274 Cc1cccc(c1C)NCc2cncnc2 7a_100000210026_100015196519 [0,2,0,0,0,0|1,0,0]=3 15984 B17R2.5274 Cc1cccc(c1C)OCc2ccccc2 34a_100000185855_100015291786 [0,2,0,0,0,0|2,0,0]=4 15985 B17R2.5274 Cc1cccc(c1C)OCc2ccccc2 7a_100000185855_100000211182 [0,2,0,0,0,0|2,0,0]=4 15986 B17R2.5274 Cc1cccc(c1C)OCc2cccnc2 34a_100000185855_100000733263 [0,2,0,0,0,0|1,0,0]=3 15987 B17R2.5274 Cc1cccc(c1C)OCc2cccnc2 7a_100000185855_100000741622 [0,2,0,0,0,0|1,0,0]=3 15988 B17R2.5274 Cc1cccc(c1C)OCc2cccnn2 34a_100000185855_100016990269 [0,2,0,0,0,0|2,0,0]=4 15989 B17R2.5274 Cc1cccc(c1C)OCc2cccnn2 7a_100000185855_100016990269 [0,2,0,0,0,0|2,0,0]=4 15990 B17R2.5274 Cc1cccc(c1C)OCc2cnccn2 34a_100000185855_100016995436 [0,2,0,0,0,0|2,0,0]=4 15991 B17R2.5274 Cc1cccc(c1C)OCc2cnccn2 7a_100000185855_100016995436 [0,2,0,0,0,0|2,0,0]=4 15992 B17R2.5274 Cc1cccc(c1C)OCc2cncnc2 34a_100000185855_100015196519 [0,2,0,0,0,0|2,0,0]=4 15993 B17R2.5274 Cc1cccc(c1C)OCc2cncnc2 7a_100000185855_100015196519 [0,2,0,0,0,0|2,0,0]=4 15994 B17R2.5274 Cc1cccc(c1C)SCc2ccccc2 62a_100000211182_100011214922 [0,2,0,0,0,0|2,0,0]=4 15995 B17R2.5274 Cc1cccc(c1C)SCc2ccccc2 62a_100011214922_100015291786 [0,2,0,0,0,0|2,0,0]=4 15996 B17R2.5274 Cc1cccc(c1C)SCc2cccnc2 62a_100000741622_100011214922 [0,2,0,0,0,0|1,0,0]=3 15997 B17R2.5274 Cc1cccc(c1C)SCc2cccnc2 62a_100011214922_100000741622 [0,2,0,0,0,0|1,0,0]=3 15998 B17R2.5274 Cc1cccc(c1C)SCc2cccnn2 62a_100011214922_100016990269 [0,2,0,0,0,0|2,0,0]=4 15999 B17R2.5274 Cc1cccc(c1C)SCc2cccnn2 62a_100016990269_100011214922 [0,2,0,0,0,0|2,0,0]=4 16000 B17R2.5274 Cc1cccc(c1C)SCc2cnccn2 62a_100011214922_100016995436 [0,2,0,0,0,0|2,0,0]=4 16001 B17R2.5274 Cc1cccc(c1C)SCc2cnccn2 62a_100016995436_100011214922 [0,2,0,0,0,0|2,0,0]=4 16002 B17R2.5274 Cc1cccc(c1C)SCc2cncnc2 62a_100011214922_100015196519 [0,2,0,0,0,0|2,0,0]=4 16003 B17R2.5274 Cc1cccc(c1C)SCc2cncnc2 62a_100015196519_100011214922 [0,2,0,0,0,0|2,0,0]=4 16004 B17R2.5274 Cc1cccc(c1Cl)C=Cc2cccnc2 271570a_100102525586_200012352035 [0,2,0,0,0,0|1,0,1]=4 16005 B17R2.5274 Cc1cccc(c1Cl)CNc2ccccc2 207a_100000106764_100012017286 [0,2,0,0,0,0|1,0,0]=3 16006 B17R2.5274 Cc1cccc(c1Cl)CNc2ccccc2 270302a_100000106764_100012017286 [0,2,0,0,0,0|1,0,0]=3 16007 B17R2.5274 Cc1cccc(c1Cl)NCc2ccccc2 207a_100000765562_100015611070 [0,2,0,0,0,0|1,0,0]=3 16008 B17R2.5274 Cc1cccc(c1Cl)NCc2ccccc2 270302a_100000765562_100015611070 [0,2,0,0,0,0|1,0,0]=3 16009 B17R2.5274 Cc1cccc(c1Cl)NCc2ccccc2 34a_100000765562_100015291786 [0,2,0,0,0,0|1,0,0]=3 16010 B17R2.5274 Cc1cccc(c1Cl)NCc2ccccc2 7a_100000765562_100000211182 [0,2,0,0,0,0|1,0,0]=3 16011 B17R2.5274 Cc1cccc(c1Cl)NCc2ccccn2 207a_100000765562_100000209966 [0,2,0,0,0,0|2,0,0]=4 16012 B17R2.5274 Cc1cccc(c1Cl)NCc2ccccn2 270302a_100000765562_100000209966 [0,2,0,0,0,0|2,0,0]=4 16013 B17R2.5274 Cc1cccc(c1Cl)NCc2ccccn2 34a_100000765562_100000721315 [0,2,0,0,0,0|2,0,0]=4 16014 B17R2.5274 Cc1cccc(c1Cl)NCc2ccccn2 7a_100000765562_100000721315 [0,2,0,0,0,0|2,0,0]=4 16015 B17R2.5274 Cc1cccc(c1Cl)NCc2cccnc2 207a_100000765562_100000209961 [0,2,0,0,0,0|0,0,0]=2 16016 B17R2.5274 Cc1cccc(c1Cl)NCc2cccnc2 270302a_100000765562_100000209961 [0,2,0,0,0,0|0,0,0]=2 16017 B17R2.5274 Cc1cccc(c1Cl)NCc2cccnc2 34a_100000765562_100000733263 [0,2,0,0,0,0|0,0,0]=2 16018 B17R2.5274 Cc1cccc(c1Cl)NCc2cccnc2 7a_100000765562_100000741622 [0,2,0,0,0,0|0,0,0]=2 16019 B17R2.5274 Cc1cccc(c1Cl)NCc2cccnn2 34a_100000765562_100016990269 [0,2,0,0,0,0|1,0,0]=3 16020 B17R2.5274 Cc1cccc(c1Cl)NCc2cccnn2 7a_100000765562_100016990269 [0,2,0,0,0,0|1,0,0]=3 16021 B17R2.5274 Cc1cccc(c1Cl)NCc2ccncc2 207a_100000765562_100000186114 [0,2,0,0,0,0|2,0,0]=4 16022 B17R2.5274 Cc1cccc(c1Cl)NCc2ccncc2 7a_100000765562_100015193705 [0,2,0,0,0,0|2,0,0]=4 16023 B17R2.5274 Cc1cccc(c1Cl)NCc2ccnnc2 270302a_100000765562_100011934578 [0,2,0,0,0,0|1,0,0]=3 16024 B17R2.5274 Cc1cccc(c1Cl)NCc2cnccn2 34a_100000765562_100016995436 [0,2,0,0,0,0|1,0,0]=3 16025 B17R2.5274 Cc1cccc(c1Cl)NCc2cnccn2 7a_100000765562_100016995436 [0,2,0,0,0,0|1,0,0]=3 16026 B17R2.5274 Cc1cccc(c1Cl)NCc2cncnc2 270302a_100000765562_100000749868 [0,2,0,0,0,0|1,0,0]=3 16027 B17R2.5274 Cc1cccc(c1Cl)NCc2cncnc2 34a_100000765562_100015196519 [0,2,0,0,0,0|1,0,0]=3 16028 B17R2.5274 Cc1cccc(c1Cl)NCc2cncnc2 7a_100000765562_100015196519 [0,2,0,0,0,0|1,0,0]=3 16029 B17R2.5274 Cc1cccc(c1Cl)OCc2ccccc2 34a_100000695629_100015291786 [0,2,0,0,0,0|2,0,0]=4 16030 B17R2.5274 Cc1cccc(c1Cl)OCc2ccccc2 7a_100000695629_100000211182 [0,2,0,0,0,0|2,0,0]=4 16031 B17R2.5274 Cc1cccc(c1Cl)OCc2cccnc2 34a_100000695629_100000733263 [0,2,0,0,0,0|1,0,0]=3 16032 B17R2.5274 Cc1cccc(c1Cl)OCc2cccnc2 7a_100000695629_100000741622 [0,2,0,0,0,0|1,0,0]=3 16033 B17R2.5274 Cc1cccc(c1Cl)OCc2cccnn2 34a_100000695629_100016990269 [0,2,0,0,0,0|2,0,0]=4 16034 B17R2.5274 Cc1cccc(c1Cl)OCc2cccnn2 7a_100000695629_100016990269 [0,2,0,0,0,0|2,0,0]=4 16035 B17R2.5274 Cc1cccc(c1Cl)OCc2cnccn2 34a_100000695629_100016995436 [0,2,0,0,0,0|2,0,0]=4 16036 B17R2.5274 Cc1cccc(c1Cl)OCc2cnccn2 7a_100000695629_100016995436 [0,2,0,0,0,0|2,0,0]=4 16037 B17R2.5274 Cc1cccc(c1Cl)OCc2cncnc2 34a_100000695629_100015196519 [0,2,0,0,0,0|2,0,0]=4 16038 B17R2.5274 Cc1cccc(c1Cl)OCc2cncnc2 7a_100000695629_100015196519 [0,2,0,0,0,0|2,0,0]=4 16039 B17R2.5274 Cc1cccc(c1Cl)SCc2ccccc2 62a_100000211182_200012352035 [0,2,0,0,0,0|2,0,0]=4 16040 B17R2.5274 Cc1cccc(c1Cl)SCc2ccccc2 62a_200012352035_100015291786 [0,2,0,0,0,0|2,0,0]=4 16041 B17R2.5274 Cc1cccc(c1Cl)SCc2cccnc2 62a_100000741622_200012352035 [0,2,0,0,0,0|1,0,0]=3 16042 B17R2.5274 Cc1cccc(c1Cl)SCc2cccnc2 62a_200012352035_100000741622 [0,2,0,0,0,0|1,0,0]=3 16043 B17R2.5274 Cc1cccc(c1Cl)SCc2cccnn2 62a_100016990269_200012352035 [0,2,0,0,0,0|2,0,0]=4 16044 B17R2.5274 Cc1cccc(c1Cl)SCc2cccnn2 62a_200012352035_100016990269 [0,2,0,0,0,0|2,0,0]=4 16045 B17R2.5274 Cc1cccc(c1Cl)SCc2cnccn2 62a_100016995436_200012352035 [0,2,0,0,0,0|2,0,0]=4 16046 B17R2.5274 Cc1cccc(c1Cl)SCc2cnccn2 62a_200012352035_100016995436 [0,2,0,0,0,0|2,0,0]=4 16047 B17R2.5274 Cc1cccc(c1Cl)SCc2cncnc2 62a_100015196519_200012352035 [0,2,0,0,0,0|2,0,0]=4 16048 B17R2.5274 Cc1cccc(c1Cl)SCc2cncnc2 62a_200012352035_100015196519 [0,2,0,0,0,0|2,0,0]=4 16049 B17R2.5274 Cc1cccc(c1F)C=Cc2cccnc2 271570a_100102525586_100000717567 [0,2,0,0,0,0|1,0,1]=4 16050 B17R2.5274 Cc1cccc(c1F)CNc2ccccc2 207a_100000106764_100011219516 [0,2,0,0,0,0|1,0,0]=3 16051 B17R2.5274 Cc1cccc(c1F)CNc2ccccc2 270302a_100000106764_100011219516 [0,2,0,0,0,0|1,0,0]=3 16052 B17R2.5274 Cc1cccc(c1F)CNc2ccccc2 34a_100000106764_100011216058 [0,2,0,0,0,0|1,0,0]=3 16053 B17R2.5274 Cc1cccc(c1F)COc2ccccc2 34a_100000210340_100011216058 [0,2,0,0,0,0|2,0,0]=4 16054 B17R2.5274 Cc1cccc(c1F)COc2ccccc2 7a_100000210340_100011216058 [0,2,0,0,0,0|2,0,0]=4 16055 B17R2.5274 Cc1cccc(c1F)COc2cccnc2 34a_100000210849_100011216058 [0,2,0,0,0,0|2,0,0]=4 16056 B17R2.5274 Cc1cccc(c1F)COc2cccnc2 7a_100000210849_100011216058 [0,2,0,0,0,0|2,0,0]=4 16057 B17R2.5274 Cc1cccc(c1F)CSc2ccccc2 62a_100000719477_100011216058 [0,2,0,0,0,0|2,0,0]=4 16058 B17R2.5274 Cc1cccc(c1F)CSc2ccccc2 62a_100011216058_100000041952 [0,2,0,0,0,0|2,0,0]=4 16059 B17R2.5274 Cc1cccc(c1F)CSc2cccnc2 62a_100000210063_100011216058 [0,2,0,0,0,0|2,0,0]=4 16060 B17R2.5274 Cc1cccc(c1F)CSc2cccnc2 62a_100011216058_100000210063 [0,2,0,0,0,0|2,0,0]=4 16061 B17R2.5274 Cc1cccc(c1F)NCc2ccccc2 207a_100000697159_100015611070 [0,2,0,0,0,0|1,0,0]=3 16062 B17R2.5274 Cc1cccc(c1F)NCc2ccccc2 2230a_100000697159_100015291786 [0,2,0,0,0,0|1,0,0]=3 16063 B17R2.5274 Cc1cccc(c1F)NCc2ccccc2 270302a_100000697159_100015611070 [0,2,0,0,0,0|1,0,0]=3 16064 B17R2.5274 Cc1cccc(c1F)NCc2ccccc2 34a_100000697159_100015291786 [0,2,0,0,0,0|1,0,0]=3 16065 B17R2.5274 Cc1cccc(c1F)NCc2ccccc2 7a_100000697159_100000211182 [0,2,0,0,0,0|1,0,0]=3 16066 B17R2.5274 Cc1cccc(c1F)NCc2ccccn2 207a_100000697159_100000209966 [0,2,0,0,0,0|2,0,0]=4 16067 B17R2.5274 Cc1cccc(c1F)NCc2ccccn2 2230a_100000697159_100000721315 [0,2,0,0,0,0|2,0,0]=4 16068 B17R2.5274 Cc1cccc(c1F)NCc2ccccn2 270302a_100000697159_100000209966 [0,2,0,0,0,0|2,0,0]=4 16069 B17R2.5274 Cc1cccc(c1F)NCc2ccccn2 34a_100000697159_100000721315 [0,2,0,0,0,0|2,0,0]=4 16070 B17R2.5274 Cc1cccc(c1F)NCc2ccccn2 7a_100000697159_100000721315 [0,2,0,0,0,0|2,0,0]=4 16071 B17R2.5274 Cc1cccc(c1F)NCc2cccnc2 207a_100000697159_100000209961 [0,2,0,0,0,0|0,0,0]=2 16072 B17R2.5274 Cc1cccc(c1F)NCc2cccnc2 2230a_100000697159_100000741622 [0,2,0,0,0,0|0,0,0]=2 16073 B17R2.5274 Cc1cccc(c1F)NCc2cccnc2 270302a_100000697159_100000209961 [0,2,0,0,0,0|0,0,0]=2 16074 B17R2.5274 Cc1cccc(c1F)NCc2cccnc2 34a_100000697159_100000733263 [0,2,0,0,0,0|0,0,0]=2 16075 B17R2.5274 Cc1cccc(c1F)NCc2cccnc2 7a_100000697159_100000741622 [0,2,0,0,0,0|0,0,0]=2 16076 B17R2.5274 Cc1cccc(c1F)NCc2cccnn2 2230a_100000697159_100016990269 [0,2,0,0,0,0|1,0,0]=3 16077 B17R2.5274 Cc1cccc(c1F)NCc2cccnn2 34a_100000697159_100016990269 [0,2,0,0,0,0|1,0,0]=3 16078 B17R2.5274 Cc1cccc(c1F)NCc2cccnn2 7a_100000697159_100016990269 [0,2,0,0,0,0|1,0,0]=3 16079 B17R2.5274 Cc1cccc(c1F)NCc2ccncc2 207a_100000697159_100000186114 [0,2,0,0,0,0|2,0,0]=4 16080 B17R2.5274 Cc1cccc(c1F)NCc2ccncc2 2230a_100000697159_100015193705 [0,2,0,0,0,0|2,0,0]=4 16081 B17R2.5274 Cc1cccc(c1F)NCc2ccncc2 7a_100000697159_100015193705 [0,2,0,0,0,0|2,0,0]=4 16082 B17R2.5274 Cc1cccc(c1F)NCc2ccnnc2 270302a_100000697159_100011934578 [0,2,0,0,0,0|1,0,0]=3 16083 B17R2.5274 Cc1cccc(c1F)NCc2cnccn2 2230a_100000697159_100016995436 [0,2,0,0,0,0|1,0,0]=3 16084 B17R2.5274 Cc1cccc(c1F)NCc2cnccn2 34a_100000697159_100016995436 [0,2,0,0,0,0|1,0,0]=3 16085 B17R2.5274 Cc1cccc(c1F)NCc2cnccn2 7a_100000697159_100016995436 [0,2,0,0,0,0|1,0,0]=3 16086 B17R2.5274 Cc1cccc(c1F)NCc2cncnc2 2230a_100000697159_100015196519 [0,2,0,0,0,0|1,0,0]=3 16087 B17R2.5274 Cc1cccc(c1F)NCc2cncnc2 270302a_100000697159_100000749868 [0,2,0,0,0,0|1,0,0]=3 16088 B17R2.5274 Cc1cccc(c1F)NCc2cncnc2 34a_100000697159_100015196519 [0,2,0,0,0,0|1,0,0]=3 16089 B17R2.5274 Cc1cccc(c1F)NCc2cncnc2 7a_100000697159_100015196519 [0,2,0,0,0,0|1,0,0]=3 16090 B17R2.5274 Cc1cccc(c1F)OCc2ccccc2 34a_100000751311_100015291786 [0,2,0,0,0,0|2,0,0]=4 16091 B17R2.5274 Cc1cccc(c1F)OCc2ccccc2 7a_100000751311_100000211182 [0,2,0,0,0,0|2,0,0]=4 16092 B17R2.5274 Cc1cccc(c1F)OCc2cccnc2 34a_100000751311_100000733263 [0,2,0,0,0,0|1,0,0]=3 16093 B17R2.5274 Cc1cccc(c1F)OCc2cccnc2 7a_100000751311_100000741622 [0,2,0,0,0,0|1,0,0]=3 16094 B17R2.5274 Cc1cccc(c1F)OCc2cccnn2 34a_100000751311_100016990269 [0,2,0,0,0,0|2,0,0]=4 16095 B17R2.5274 Cc1cccc(c1F)OCc2cccnn2 7a_100000751311_100016990269 [0,2,0,0,0,0|2,0,0]=4 16096 B17R2.5274 Cc1cccc(c1F)OCc2cnccn2 34a_100000751311_100016995436 [0,2,0,0,0,0|2,0,0]=4 16097 B17R2.5274 Cc1cccc(c1F)OCc2cnccn2 7a_100000751311_100016995436 [0,2,0,0,0,0|2,0,0]=4 16098 B17R2.5274 Cc1cccc(c1F)OCc2cncnc2 34a_100000751311_100015196519 [0,2,0,0,0,0|2,0,0]=4 16099 B17R2.5274 Cc1cccc(c1F)OCc2cncnc2 7a_100000751311_100015196519 [0,2,0,0,0,0|2,0,0]=4 16100 B17R2.5274 Cc1cccc(c1F)SCc2ccccc2 62a_100000211182_100000717567 [0,2,0,0,0,0|2,0,0]=4 16101 B17R2.5274 Cc1cccc(c1F)SCc2ccccc2 62a_100000717567_100015291786 [0,2,0,0,0,0|2,0,0]=4 16102 B17R2.5274 Cc1cccc(c1F)SCc2cccnc2 62a_100000717567_100000741622 [0,2,0,0,0,0|1,0,0]=3 16103 B17R2.5274 Cc1cccc(c1F)SCc2cccnc2 62a_100000741622_100000717567 [0,2,0,0,0,0|1,0,0]=3 16104 B17R2.5274 Cc1cccc(c1F)SCc2cccnn2 62a_100000717567_100016990269 [0,2,0,0,0,0|2,0,0]=4 16105 B17R2.5274 Cc1cccc(c1F)SCc2cccnn2 62a_100016990269_100000717567 [0,2,0,0,0,0|2,0,0]=4 16106 B17R2.5274 Cc1cccc(c1F)SCc2cnccn2 62a_100000717567_100016995436 [0,2,0,0,0,0|2,0,0]=4 16107 B17R2.5274 Cc1cccc(c1F)SCc2cnccn2 62a_100016995436_100000717567 [0,2,0,0,0,0|2,0,0]=4 16108 B17R2.5274 Cc1cccc(c1F)SCc2cncnc2 62a_100000717567_100015196519 [0,2,0,0,0,0|2,0,0]=4 16109 B17R2.5274 Cc1cccc(c1F)SCc2cncnc2 62a_100015196519_100000717567 [0,2,0,0,0,0|2,0,0]=4 16110 B17R2.5274 Cc1cccc(c1I)NCc2ccccc2 34a_100000761888_100015291786 [0,2,0,0,0,0|1,0,0]=3 16111 B17R2.5274 Cc1cccc(c1I)NCc2ccccn2 34a_100000761888_100000721315 [0,2,0,0,0,0|2,0,0]=4 16112 B17R2.5274 Cc1cccc(c1I)NCc2cccnc2 34a_100000761888_100000733263 [0,2,0,0,0,0|0,0,0]=2 16113 B17R2.5274 Cc1cccc(c1I)NCc2cccnn2 34a_100000761888_100016990269 [0,2,0,0,0,0|1,0,0]=3 16114 B17R2.5274 Cc1cccc(c1I)NCc2cnccn2 34a_100000761888_100016995436 [0,2,0,0,0,0|1,0,0]=3 16115 B17R2.5274 Cc1cccc(c1I)NCc2cncnc2 34a_100000761888_100015196519 [0,2,0,0,0,0|1,0,0]=3 16116 B17R2.5274 Cc1cccc(c1I)OCc2ccccc2 34a_100010083724_100015291786 [0,2,0,0,0,0|2,0,0]=4 16117 B17R2.5274 Cc1cccc(c1I)OCc2ccccc2 7a_100010083724_100000211182 [0,2,0,0,0,0|2,0,0]=4 16118 B17R2.5274 Cc1cccc(c1I)OCc2cccnc2 34a_100010083724_100000733263 [0,2,0,0,0,0|1,0,0]=3 16119 B17R2.5274 Cc1cccc(c1I)OCc2cccnc2 7a_100010083724_100000741622 [0,2,0,0,0,0|1,0,0]=3 16120 B17R2.5274 Cc1cccc(c1I)OCc2cccnn2 34a_100010083724_100016990269 [0,2,0,0,0,0|2,0,0]=4 16121 B17R2.5274 Cc1cccc(c1I)OCc2cccnn2 7a_100010083724_100016990269 [0,2,0,0,0,0|2,0,0]=4 16122 B17R2.5274 Cc1cccc(c1I)OCc2cnccn2 34a_100010083724_100016995436 [0,2,0,0,0,0|2,0,0]=4 16123 B17R2.5274 Cc1cccc(c1I)OCc2cnccn2 7a_100010083724_100016995436 [0,2,0,0,0,0|2,0,0]=4 16124 B17R2.5274 Cc1cccc(c1I)OCc2cncnc2 34a_100010083724_100015196519 [0,2,0,0,0,0|2,0,0]=4 16125 B17R2.5274 Cc1cccc(c1I)OCc2cncnc2 7a_100010083724_100015196519 [0,2,0,0,0,0|2,0,0]=4 16126 B17R2.5274 Cc1cccc(c1N)C=Cc2cccnc2 271570a_100102525586_100011834072 [0,2,0,0,0,0|1,0,1]=4 16127 B17R2.5274 Cc1cccc(c1N)OCc2ccccc2 34a_100000743429_100015291786 [0,2,0,0,0,0|2,0,0]=4 16128 B17R2.5274 Cc1cccc(c1N)OCc2ccccc2 7a_100000743429_100000211182 [0,2,0,0,0,0|2,0,0]=4 16129 B17R2.5274 Cc1cccc(c1N)OCc2cccnc2 34a_100000743429_100000733263 [0,2,0,0,0,0|1,0,0]=3 16130 B17R2.5274 Cc1cccc(c1N)OCc2cccnc2 7a_100000743429_100000741622 [0,2,0,0,0,0|1,0,0]=3 16131 B17R2.5274 Cc1cccc(c1N)OCc2cccnn2 34a_100000743429_100016990269 [0,2,0,0,0,0|2,0,0]=4 16132 B17R2.5274 Cc1cccc(c1N)OCc2cccnn2 7a_100000743429_100016990269 [0,2,0,0,0,0|2,0,0]=4 16133 B17R2.5274 Cc1cccc(c1N)OCc2cnccn2 34a_100000743429_100016995436 [0,2,0,0,0,0|2,0,0]=4 16134 B17R2.5274 Cc1cccc(c1N)OCc2cnccn2 7a_100000743429_100016995436 [0,2,0,0,0,0|2,0,0]=4 16135 B17R2.5274 Cc1cccc(c1N)OCc2cncnc2 34a_100000743429_100015196519 [0,2,0,0,0,0|2,0,0]=4 16136 B17R2.5274 Cc1cccc(c1N)OCc2cncnc2 7a_100000743429_100015196519 [0,2,0,0,0,0|2,0,0]=4 16137 B17R2.5274 Cc1cccc(c1N)SCc2ccccc2 62a_100000211182_100011834072 [0,2,0,0,0,0|2,0,0]=4 16138 B17R2.5274 Cc1cccc(c1N)SCc2ccccc2 62a_100011834072_100015291786 [0,2,0,0,0,0|2,0,0]=4 16139 B17R2.5274 Cc1cccc(c1N)SCc2cccnc2 62a_100000741622_100011834072 [0,2,0,0,0,0|1,0,0]=3 16140 B17R2.5274 Cc1cccc(c1N)SCc2cccnc2 62a_100011834072_100000741622 [0,2,0,0,0,0|1,0,0]=3 16141 B17R2.5274 Cc1cccc(c1N)SCc2cccnn2 62a_100011834072_100016990269 [0,2,0,0,0,0|2,0,0]=4 16142 B17R2.5274 Cc1cccc(c1N)SCc2cccnn2 62a_100016990269_100011834072 [0,2,0,0,0,0|2,0,0]=4 16143 B17R2.5274 Cc1cccc(c1N)SCc2cnccn2 62a_100011834072_100016995436 [0,2,0,0,0,0|2,0,0]=4 16144 B17R2.5274 Cc1cccc(c1N)SCc2cnccn2 62a_100016995436_100011834072 [0,2,0,0,0,0|2,0,0]=4 16145 B17R2.5274 Cc1cccc(c1N)SCc2cncnc2 62a_100011834072_100015196519 [0,2,0,0,0,0|2,0,0]=4 16146 B17R2.5274 Cc1cccc(c1N)SCc2cncnc2 62a_100015196519_100011834072 [0,2,0,0,0,0|2,0,0]=4 16147 B17R2.5274 Cc1cccc(c1O)C=Cc2cccnc2 271570a_100102525586_100009817157 [0,2,0,0,0,0|1,0,1]=4 16148 B17R2.5274 Cc1cccc(c1O)NCc2ccccc2 270302a_100000756359_100015611070 [0,2,0,0,0,0|1,0,0]=3 16149 B17R2.5274 Cc1cccc(c1O)NCc2ccccc2 34a_100000756359_100015291786 [0,2,0,0,0,0|1,0,0]=3 16150 B17R2.5274 Cc1cccc(c1O)NCc2ccccn2 270302a_100000756359_100000209966 [0,2,0,0,0,0|2,0,0]=4 16151 B17R2.5274 Cc1cccc(c1O)NCc2ccccn2 34a_100000756359_100000721315 [0,2,0,0,0,0|2,0,0]=4 16152 B17R2.5274 Cc1cccc(c1O)NCc2cccnc2 270302a_100000756359_100000209961 [0,2,0,0,0,0|0,0,0]=2 16153 B17R2.5274 Cc1cccc(c1O)NCc2cccnc2 34a_100000756359_100000733263 [0,2,0,0,0,0|0,0,0]=2 16154 B17R2.5274 Cc1cccc(c1O)NCc2cccnn2 34a_100000756359_100016990269 [0,2,0,0,0,0|1,0,0]=3 16155 B17R2.5274 Cc1cccc(c1O)NCc2ccnnc2 270302a_100000756359_100011934578 [0,2,0,0,0,0|1,0,0]=3 16156 B17R2.5274 Cc1cccc(c1O)NCc2cnccn2 34a_100000756359_100016995436 [0,2,0,0,0,0|1,0,0]=3 16157 B17R2.5274 Cc1cccc(c1O)NCc2cncnc2 270302a_100000756359_100000749868 [0,2,0,0,0,0|1,0,0]=3 16158 B17R2.5274 Cc1cccc(c1O)NCc2cncnc2 34a_100000756359_100015196519 [0,2,0,0,0,0|1,0,0]=3 16159 B17R2.5274 Cc1cccc(c1O)SCc2ccccc2 62a_100000211182_100009817157 [0,2,0,0,0,0|2,0,0]=4 16160 B17R2.5274 Cc1cccc(c1O)SCc2ccccc2 62a_100009817157_100015291786 [0,2,0,0,0,0|2,0,0]=4 16161 B17R2.5274 Cc1cccc(c1O)SCc2cccnc2 62a_100000741622_100009817157 [0,2,0,0,0,0|1,0,0]=3 16162 B17R2.5274 Cc1cccc(c1O)SCc2cccnc2 62a_100009817157_100000741622 [0,2,0,0,0,0|1,0,0]=3 16163 B17R2.5274 Cc1cccc(c1O)SCc2cccnn2 62a_100009817157_100016990269 [0,2,0,0,0,0|2,0,0]=4 16164 B17R2.5274 Cc1cccc(c1O)SCc2cccnn2 62a_100016990269_100009817157 [0,2,0,0,0,0|2,0,0]=4 16165 B17R2.5274 Cc1cccc(c1O)SCc2cnccn2 62a_100009817157_100016995436 [0,2,0,0,0,0|2,0,0]=4 16166 B17R2.5274 Cc1cccc(c1O)SCc2cnccn2 62a_100016995436_100009817157 [0,2,0,0,0,0|2,0,0]=4 16167 B17R2.5274 Cc1cccc(c1O)SCc2cncnc2 62a_100009817157_100015196519 [0,2,0,0,0,0|2,0,0]=4 16168 B17R2.5274 Cc1cccc(c1O)SCc2cncnc2 62a_100015196519_100009817157 [0,2,0,0,0,0|2,0,0]=4 16169 B17R2.5274 Cc1ccnc(c1Br)OCc2cccnc2 34a_100012000493_100000733263 [0,2,0,0,0,0|2,0,0]=4 16170 B17R2.5274 Cc1ccnc(c1C)SCc2cccnc2 62a_100000741622_100009847204 [0,2,0,0,0,0|2,0,0]=4 16171 B17R2.5274 Cc1ccnc(c1C)SCc2cccnc2 62a_100009847204_100000741622 [0,2,0,0,0,0|2,0,0]=4 16172 B17R2.5274 Cc1ccnc(c1F)SCc2cccnc2 62a_100000741622_100009817629 [0,2,0,0,0,0|2,0,0]=4 16173 B17R2.5274 Cc1ccnc(c1F)SCc2cccnc2 62a_100009817629_100000741622 [0,2,0,0,0,0|2,0,0]=4 16174 B17R2.5274 Cc1ccnc(c1N)SCc2cccnc2 62a_100000741622_100000763560 [0,2,0,0,0,0|2,0,0]=4 16175 B17R2.5274 Cc1ccnc(c1N)SCc2cccnc2 62a_100000763560_100000741622 [0,2,0,0,0,0|2,0,0]=4 16176 B17R2.5274 Cc1ccnc(c1O)SCc2cccnc2 62a_100000741622_100000696282 [0,2,0,0,0,0|2,0,0]=4 16177 B17R2.5274 Cc1cncc(c1C)C#Cc2ccccc2 271570a_100000069678_100009864703 [0,2,0,0,0,0|1,0,1]=4 16178 B17R2.5274 Cc1cncc(c1C)C=Cc2ccccc2 271570a_100102527694_100009864703 [0,2,0,0,0,0|1,0,1]=4 16179 B17R2.5274 Cc1cncc(c1C)SCc2ccccc2 62a_100000211182_100009864703 [0,2,0,0,0,0|2,0,0]=4 16180 B17R2.5274 Cc1cncc(c1C)SCc2ccccc2 62a_100009864703_100015291786 [0,2,0,0,0,0|2,0,0]=4 16181 B17R2.5274 Cc1cncc(c1C)SCc2cccnc2 62a_100000741622_100009864703 [0,2,0,0,0,0|2,0,0]=4 16182 B17R2.5274 Cc1cncc(c1C)SCc2cccnc2 62a_100009864703_100000741622 [0,2,0,0,0,0|2,0,0]=4 16183 B17R2.5274 Cc1cncc(c1N)C#Cc2ccccc2 271570a_100000069678_100009818025 [0,2,0,0,0,0|1,0,1]=4 16184 B17R2.5274 Cc1cncc(c1N)C=Cc2ccccc2 271570a_100102527694_100009818025 [0,2,0,0,0,0|1,0,1]=4 16185 B17R2.5274 Cc1cncc(c1N)SCc2ccccc2 62a_100000211182_100009818025 [0,2,0,0,0,0|2,0,0]=4 16186 B17R2.5274 Cc1cncc(c1N)SCc2ccccc2 62a_100009818025_100015291786 [0,2,0,0,0,0|2,0,0]=4 16187 B17R2.5274 Cc1cncc(c1N)SCc2cccnc2 62a_100000741622_100009818025 [0,2,0,0,0,0|2,0,0]=4 16188 B17R2.5274 Cc1cncc(c1N)SCc2cccnc2 62a_100009818025_100000741622 [0,2,0,0,0,0|2,0,0]=4 16189 B17R2.5274 Cc1nccc(c1C)SCc2cccnc2 62a_100000741622_100009846815 [0,2,0,0,0,0|2,0,0]=4 16190 B17R2.5274 Cc1nccc(c1C)SCc2cccnc2 62a_100009846815_100000741622 [0,2,0,0,0,0|2,0,0]=4 16191 B17R2.5274 Cc1nccc(c1Cl)NCc2ccccc2 27a_100015324214_100000698670 [0,2,0,0,0,0|2,0,0]=4 16192 B17R2.5274 Cc1nccc(c1Cl)NCc2cccnc2 27a_100000210453_100000698670 [0,2,0,0,0,0|1,0,0]=3 16193 B17R2.5274 Cc1nccc(c1Cl)NCc2cccnn2 27a_100159270163_100000698670 [0,2,0,0,0,0|2,0,0]=4 16194 B17R2.5274 Cc1nccc(c1Cl)NCc2cnccn2 27a_100000737960_100000698670 [0,2,0,0,0,0|2,0,0]=4 16195 B17R2.5274 Cc1nccc(c1Cl)NCc2cncnc2 27a_100011243677_100000698670 [0,2,0,0,0,0|2,0,0]=4 16196 B17R2.5274 Cc1nccc(c1Cl)SCc2cccnc2 62a_100000698670_100000741622 [0,2,0,0,0,0|2,0,0]=4 16197 B17R2.5274 Cc1nccc(c1Cl)SCc2cccnc2 62a_100000741622_100000698670 [0,2,0,0,0,0|2,0,0]=4 16198 B17R2.5274 Cc1nccc(c1F)NCc2ccccc2 27a_100015324214_100009849794 [0,2,0,0,0,0|2,0,0]=4 16199 B17R2.5274 Cc1nccc(c1F)NCc2cccnc2 27a_100000210453_100009849794 [0,2,0,0,0,0|1,0,0]=3 16200 B17R2.5274 Cc1nccc(c1F)NCc2cccnn2 27a_100159270163_100009849794 [0,2,0,0,0,0|2,0,0]=4 16201 B17R2.5274 Cc1nccc(c1F)NCc2cnccn2 27a_100000737960_100009849794 [0,2,0,0,0,0|2,0,0]=4 16202 B17R2.5274 Cc1nccc(c1F)NCc2cncnc2 27a_100011243677_100009849794 [0,2,0,0,0,0|2,0,0]=4 16203 B17R2.5274 Cc1nccc(c1F)SCc2cccnc2 62a_100000741622_100009849794 [0,2,0,0,0,0|2,0,0]=4 16204 B17R2.5274 Cc1nccc(c1F)SCc2cccnc2 62a_100009849794_100000741622 [0,2,0,0,0,0|2,0,0]=4 16205 B17R2.5274 Cc1nccc(c1N)SCc2cccnc2 62a_100000741622_100009885578 [0,2,0,0,0,0|2,0,0]=4 16206 B17R2.5274 Cc1nccc(c1N)SCc2cccnc2 62a_100009885578_100000741622 [0,2,0,0,0,0|2,0,0]=4 16207 B17R2.5274 Cc1ncnc(c1C)NCc2cccnc2 27a_100000210453_100011438038 [0,2,0,0,0,0|2,0,0]=4 16208 B17R2.5274 Cc1ncnc(c1F)NCc2cccnc2 27a_100000210453_100011671633 [0,2,0,0,0,0|2,0,0]=4 16209 B17R2.5274 Clc1c(cccc1C=Cc2cccnc2)Br 271570a_100102525586_100010142854 [0,2,0,0,0,0|1,0,1]=4 16210 B17R2.5274 Clc1c(cccc1CNc2ccccc2)Br 207a_100000106764_100012362481 [0,2,0,0,0,0|1,0,0]=3 16211 B17R2.5274 Clc1c(cccc1CNc2ccccc2)Br 270302a_100000106764_100012362481 [0,2,0,0,0,0|1,0,0]=3 16212 B17R2.5274 Clc1c(cccc1CNc2ccccc2)Br 34a_100000106764_100012349491 [0,2,0,0,0,0|1,0,0]=3 16213 B17R2.5274 Clc1c(cccc1COc2ccccc2)Br 34a_100000210340_100012349491 [0,2,0,0,0,0|2,0,0]=4 16214 B17R2.5274 Clc1c(cccc1COc2ccccc2)Br 7a_100000210340_100012349491 [0,2,0,0,0,0|2,0,0]=4 16215 B17R2.5274 Clc1c(cccc1COc2cccnc2)Br 34a_100000210849_100012349491 [0,2,0,0,0,0|2,0,0]=4 16216 B17R2.5274 Clc1c(cccc1COc2cccnc2)Br 7a_100000210849_100012349491 [0,2,0,0,0,0|2,0,0]=4 16217 B17R2.5274 Clc1c(cccc1CSc2ccccc2)Br 62a_100000719477_100012349491 [0,2,0,0,0,0|2,0,0]=4 16218 B17R2.5274 Clc1c(cccc1CSc2ccccc2)Br 62a_100012349491_100000041952 [0,2,0,0,0,0|2,0,0]=4 16219 B17R2.5274 Clc1c(cccc1CSc2cccnc2)Br 62a_100000210063_100012349491 [0,2,0,0,0,0|2,0,0]=4 16220 B17R2.5274 Clc1c(cccc1CSc2cccnc2)Br 62a_100012349491_100000210063 [0,2,0,0,0,0|2,0,0]=4 16221 B17R2.5274 Clc1c(cccc1NCc2ccccc2)Br 207a_100000687075_100015611070 [0,2,0,0,0,0|1,0,0]=3 16222 B17R2.5274 Clc1c(cccc1NCc2ccccc2)Br 270302a_100000687075_100015611070 [0,2,0,0,0,0|1,0,0]=3 16223 B17R2.5274 Clc1c(cccc1NCc2ccccc2)Br 34a_100000687075_100015291786 [0,2,0,0,0,0|1,0,0]=3 16224 B17R2.5274 Clc1c(cccc1NCc2ccccn2)Br 207a_100000687075_100000209966 [0,2,0,0,0,0|2,0,0]=4 16225 B17R2.5274 Clc1c(cccc1NCc2ccccn2)Br 270302a_100000687075_100000209966 [0,2,0,0,0,0|2,0,0]=4 16226 B17R2.5274 Clc1c(cccc1NCc2ccccn2)Br 34a_100000687075_100000721315 [0,2,0,0,0,0|2,0,0]=4 16227 B17R2.5274 Clc1c(cccc1NCc2cccnc2)Br 207a_100000687075_100000209961 [0,2,0,0,0,0|0,0,0]=2 16228 B17R2.5274 Clc1c(cccc1NCc2cccnc2)Br 270302a_100000687075_100000209961 [0,2,0,0,0,0|0,0,0]=2 16229 B17R2.5274 Clc1c(cccc1NCc2cccnc2)Br 34a_100000687075_100000733263 [0,2,0,0,0,0|0,0,0]=2 16230 B17R2.5274 Clc1c(cccc1NCc2cccnn2)Br 34a_100000687075_100016990269 [0,2,0,0,0,0|1,0,0]=3 16231 B17R2.5274 Clc1c(cccc1NCc2ccncc2)Br 207a_100000687075_100000186114 [0,2,0,0,0,0|2,0,0]=4 16232 B17R2.5274 Clc1c(cccc1NCc2ccnnc2)Br 270302a_100000687075_100011934578 [0,2,0,0,0,0|1,0,0]=3 16233 B17R2.5274 Clc1c(cccc1NCc2cnccn2)Br 34a_100000687075_100016995436 [0,2,0,0,0,0|1,0,0]=3 16234 B17R2.5274 Clc1c(cccc1NCc2cncnc2)Br 270302a_100000687075_100000749868 [0,2,0,0,0,0|1,0,0]=3 16235 B17R2.5274 Clc1c(cccc1NCc2cncnc2)Br 34a_100000687075_100015196519 [0,2,0,0,0,0|1,0,0]=3 16236 B17R2.5274 Clc1c(cccc1OCc2ccccc2)Br 34a_100010187913_100015291786 [0,2,0,0,0,0|2,0,0]=4 16237 B17R2.5274 Clc1c(cccc1OCc2ccccc2)Br 7a_100010187913_100000211182 [0,2,0,0,0,0|2,0,0]=4 16238 B17R2.5274 Clc1c(cccc1OCc2ccccc2)I 34a_100000049636_100015291786 [0,2,0,0,0,0|2,0,0]=4 16239 B17R2.5274 Clc1c(cccc1OCc2ccccc2)I 7a_100000049636_100000211182 [0,2,0,0,0,0|2,0,0]=4 16240 B17R2.5274 Clc1c(cccc1OCc2cccnc2)Br 34a_100010187913_100000733263 [0,2,0,0,0,0|1,0,0]=3 16241 B17R2.5274 Clc1c(cccc1OCc2cccnc2)Br 7a_100010187913_100000741622 [0,2,0,0,0,0|1,0,0]=3 16242 B17R2.5274 Clc1c(cccc1OCc2cccnc2)I 34a_100000049636_100000733263 [0,2,0,0,0,0|1,0,0]=3 16243 B17R2.5274 Clc1c(cccc1OCc2cccnc2)I 7a_100000049636_100000741622 [0,2,0,0,0,0|1,0,0]=3 16244 B17R2.5274 Clc1c(cccc1OCc2cccnn2)Br 34a_100010187913_100016990269 [0,2,0,0,0,0|2,0,0]=4 16245 B17R2.5274 Clc1c(cccc1OCc2cccnn2)Br 7a_100010187913_100016990269 [0,2,0,0,0,0|2,0,0]=4 16246 B17R2.5274 Clc1c(cccc1OCc2cccnn2)I 34a_100000049636_100016990269 [0,2,0,0,0,0|2,0,0]=4 16247 B17R2.5274 Clc1c(cccc1OCc2cccnn2)I 7a_100000049636_100016990269 [0,2,0,0,0,0|2,0,0]=4 16248 B17R2.5274 Clc1c(cccc1OCc2cnccn2)Br 34a_100010187913_100016995436 [0,2,0,0,0,0|2,0,0]=4 16249 B17R2.5274 Clc1c(cccc1OCc2cnccn2)Br 7a_100010187913_100016995436 [0,2,0,0,0,0|2,0,0]=4 16250 B17R2.5274 Clc1c(cccc1OCc2cnccn2)I 34a_100000049636_100016995436 [0,2,0,0,0,0|2,0,0]=4 16251 B17R2.5274 Clc1c(cccc1OCc2cnccn2)I 7a_100000049636_100016995436 [0,2,0,0,0,0|2,0,0]=4 16252 B17R2.5274 Clc1c(cccc1OCc2cncnc2)Br 34a_100010187913_100015196519 [0,2,0,0,0,0|2,0,0]=4 16253 B17R2.5274 Clc1c(cccc1OCc2cncnc2)Br 7a_100010187913_100015196519 [0,2,0,0,0,0|2,0,0]=4 16254 B17R2.5274 Clc1c(cccc1OCc2cncnc2)I 34a_100000049636_100015196519 [0,2,0,0,0,0|2,0,0]=4 16255 B17R2.5274 Clc1c(cccc1OCc2cncnc2)I 7a_100000049636_100015196519 [0,2,0,0,0,0|2,0,0]=4 16256 B17R2.5274 Clc1c(cccc1SCc2ccccc2)Br 62a_100000211182_100010142854 [0,2,0,0,0,0|2,0,0]=4 16257 B17R2.5274 Clc1c(cccc1SCc2ccccc2)Br 62a_100010142854_100015291786 [0,2,0,0,0,0|2,0,0]=4 16258 B17R2.5274 Clc1c(cccc1SCc2cccnc2)Br 62a_100000741622_100010142854 [0,2,0,0,0,0|1,0,0]=3 16259 B17R2.5274 Clc1c(cccc1SCc2cccnc2)Br 62a_100010142854_100000741622 [0,2,0,0,0,0|1,0,0]=3 16260 B17R2.5274 Clc1c(cccc1SCc2cccnn2)Br 62a_100010142854_100016990269 [0,2,0,0,0,0|2,0,0]=4 16261 B17R2.5274 Clc1c(cccc1SCc2cccnn2)Br 62a_100016990269_100010142854 [0,2,0,0,0,0|2,0,0]=4 16262 B17R2.5274 Clc1c(cccc1SCc2cnccn2)Br 62a_100010142854_100016995436 [0,2,0,0,0,0|2,0,0]=4 16263 B17R2.5274 Clc1c(cccc1SCc2cnccn2)Br 62a_100016995436_100010142854 [0,2,0,0,0,0|2,0,0]=4 16264 B17R2.5274 Clc1c(cccc1SCc2cncnc2)Br 62a_100010142854_100015196519 [0,2,0,0,0,0|2,0,0]=4 16265 B17R2.5274 Clc1c(cccc1SCc2cncnc2)Br 62a_100015196519_100010142854 [0,2,0,0,0,0|2,0,0]=4 16266 B17R2.5274 Clc1c(cncc1CNc2ccccc2)Br 207a_100000106764_100010173560 [0,2,0,0,0,0|0,0,0]=2 16267 B17R2.5274 Clc1c(cncc1CNc2ccccc2)Br 270302a_100000106764_100010173560 [0,2,0,0,0,0|0,0,0]=2 16268 B17R2.5274 Clc1cccc(c1Br)CNc2ccccc2 207a_100000106764_100010232083 [0,2,0,0,0,0|1,0,0]=3 16269 B17R2.5274 Clc1cccc(c1Br)CNc2ccccc2 270302a_100000106764_100010232083 [0,2,0,0,0,0|1,0,0]=3 16270 B17R2.5274 Clc1cccc(c1Br)CNc2ccccc2 34a_100000106764_100010145525 [0,2,0,0,0,0|1,0,0]=3 16271 B17R2.5274 Clc1cccc(c1Br)COc2ccccc2 34a_100000210340_100010145525 [0,2,0,0,0,0|2,0,0]=4 16272 B17R2.5274 Clc1cccc(c1Br)COc2ccccc2 7a_100000210340_100010145525 [0,2,0,0,0,0|2,0,0]=4 16273 B17R2.5274 Clc1cccc(c1Br)COc2cccnc2 34a_100000210849_100010145525 [0,2,0,0,0,0|2,0,0]=4 16274 B17R2.5274 Clc1cccc(c1Br)COc2cccnc2 7a_100000210849_100010145525 [0,2,0,0,0,0|2,0,0]=4 16275 B17R2.5274 Clc1cccc(c1Br)CSc2ccccc2 62a_100000719477_100010145525 [0,2,0,0,0,0|2,0,0]=4 16276 B17R2.5274 Clc1cccc(c1Br)CSc2ccccc2 62a_100010145525_100000041952 [0,2,0,0,0,0|2,0,0]=4 16277 B17R2.5274 Clc1cccc(c1Br)CSc2cccnc2 62a_100000210063_100010145525 [0,2,0,0,0,0|2,0,0]=4 16278 B17R2.5274 Clc1cccc(c1Br)CSc2cccnc2 62a_100010145525_100000210063 [0,2,0,0,0,0|2,0,0]=4 16279 B17R2.5274 Clc1cccc(c1Br)NCc2ccccc2 34a_100000687072_100015291786 [0,2,0,0,0,0|1,0,0]=3 16280 B17R2.5274 Clc1cccc(c1Br)NCc2ccccn2 34a_100000687072_100000721315 [0,2,0,0,0,0|2,0,0]=4 16281 B17R2.5274 Clc1cccc(c1Br)NCc2cccnc2 34a_100000687072_100000733263 [0,2,0,0,0,0|0,0,0]=2 16282 B17R2.5274 Clc1cccc(c1Br)NCc2cccnn2 34a_100000687072_100016990269 [0,2,0,0,0,0|1,0,0]=3 16283 B17R2.5274 Clc1cccc(c1Br)NCc2cnccn2 34a_100000687072_100016995436 [0,2,0,0,0,0|1,0,0]=3 16284 B17R2.5274 Clc1cccc(c1Br)NCc2cncnc2 34a_100000687072_100015196519 [0,2,0,0,0,0|1,0,0]=3 16285 B17R2.5274 Clc1cccc(c1Br)OCc2ccccc2 34a_100012348804_100015291786 [0,2,0,0,0,0|2,0,0]=4 16286 B17R2.5274 Clc1cccc(c1Br)OCc2ccccc2 7a_100012348804_100000211182 [0,2,0,0,0,0|2,0,0]=4 16287 B17R2.5274 Clc1cccc(c1Br)OCc2cccnc2 34a_100012348804_100000733263 [0,2,0,0,0,0|1,0,0]=3 16288 B17R2.5274 Clc1cccc(c1Br)OCc2cccnc2 7a_100012348804_100000741622 [0,2,0,0,0,0|1,0,0]=3 16289 B17R2.5274 Clc1cccc(c1Br)OCc2cccnn2 34a_100012348804_100016990269 [0,2,0,0,0,0|2,0,0]=4 16290 B17R2.5274 Clc1cccc(c1Br)OCc2cccnn2 7a_100012348804_100016990269 [0,2,0,0,0,0|2,0,0]=4 16291 B17R2.5274 Clc1cccc(c1Br)OCc2cnccn2 34a_100012348804_100016995436 [0,2,0,0,0,0|2,0,0]=4 16292 B17R2.5274 Clc1cccc(c1Br)OCc2cnccn2 7a_100012348804_100016995436 [0,2,0,0,0,0|2,0,0]=4 16293 B17R2.5274 Clc1cccc(c1Br)OCc2cncnc2 34a_100012348804_100015196519 [0,2,0,0,0,0|2,0,0]=4 16294 B17R2.5274 Clc1cccc(c1Br)OCc2cncnc2 7a_100012348804_100015196519 [0,2,0,0,0,0|2,0,0]=4 16295 B17R2.5274 Clc1cccc(c1Br)SCc2ccccc2 62a_100000211182_100014021842 [0,2,0,0,0,0|2,0,0]=4 16296 B17R2.5274 Clc1cccc(c1Br)SCc2ccccc2 62a_100014021842_100015291786 [0,2,0,0,0,0|2,0,0]=4 16297 B17R2.5274 Clc1cccc(c1Br)SCc2cccnc2 62a_100000741622_100014021842 [0,2,0,0,0,0|1,0,0]=3 16298 B17R2.5274 Clc1cccc(c1Br)SCc2cccnc2 62a_100014021842_100000741622 [0,2,0,0,0,0|1,0,0]=3 16299 B17R2.5274 Clc1cccc(c1Br)SCc2cccnn2 62a_100014021842_100016990269 [0,2,0,0,0,0|2,0,0]=4 16300 B17R2.5274 Clc1cccc(c1Br)SCc2cccnn2 62a_100016990269_100014021842 [0,2,0,0,0,0|2,0,0]=4 16301 B17R2.5274 Clc1cccc(c1Br)SCc2cnccn2 62a_100014021842_100016995436 [0,2,0,0,0,0|2,0,0]=4 16302 B17R2.5274 Clc1cccc(c1Br)SCc2cnccn2 62a_100016995436_100014021842 [0,2,0,0,0,0|2,0,0]=4 16303 B17R2.5274 Clc1cccc(c1Br)SCc2cncnc2 62a_100014021842_100015196519 [0,2,0,0,0,0|2,0,0]=4 16304 B17R2.5274 Clc1cccc(c1Br)SCc2cncnc2 62a_100015196519_100014021842 [0,2,0,0,0,0|2,0,0]=4 16305 B17R2.5274 Clc1cccc(c1Cl)C=Cc2cccnc2 271570a_100102525586_100011215384 [0,2,0,0,0,0|1,0,1]=4 16306 B17R2.5274 Clc1cccc(c1Cl)CNc2ccccc2 207a_100000106764_100000210504 [0,2,0,0,0,0|1,0,0]=3 16307 B17R2.5274 Clc1cccc(c1Cl)CNc2ccccc2 270302a_100000106764_100000210504 [0,2,0,0,0,0|1,0,0]=3 16308 B17R2.5274 Clc1cccc(c1Cl)CNc2ccccc2 34a_100000106764_100000723366 [0,2,0,0,0,0|1,0,0]=3 16309 B17R2.5274 Clc1cccc(c1Cl)COc2ccccc2 34a_100000210340_100000723366 [0,2,0,0,0,0|2,0,0]=4 16310 B17R2.5274 Clc1cccc(c1Cl)COc2ccccc2 7a_100000210340_100000723366 [0,2,0,0,0,0|2,0,0]=4 16311 B17R2.5274 Clc1cccc(c1Cl)COc2cccnc2 34a_100000210849_100000723366 [0,2,0,0,0,0|2,0,0]=4 16312 B17R2.5274 Clc1cccc(c1Cl)COc2cccnc2 7a_100000210849_100000723366 [0,2,0,0,0,0|2,0,0]=4 16313 B17R2.5274 Clc1cccc(c1Cl)CSc2ccccc2 62a_100000719477_100000723366 [0,2,0,0,0,0|2,0,0]=4 16314 B17R2.5274 Clc1cccc(c1Cl)CSc2ccccc2 62a_100000720918_100000041952 [0,2,0,0,0,0|2,0,0]=4 16315 B17R2.5274 Clc1cccc(c1Cl)CSc2cccnc2 62a_100000210063_100000723366 [0,2,0,0,0,0|2,0,0]=4 16316 B17R2.5274 Clc1cccc(c1Cl)CSc2cccnc2 62a_100000720918_100000210063 [0,2,0,0,0,0|2,0,0]=4 16317 B17R2.5274 Clc1cccc(c1Cl)NCc2ccccc2 270302a_100000185733_100015611070 [0,2,0,0,0,0|1,0,0]=3 16318 B17R2.5274 Clc1cccc(c1Cl)NCc2ccccc2 34a_100000185733_100015291786 [0,2,0,0,0,0|1,0,0]=3 16319 B17R2.5274 Clc1cccc(c1Cl)NCc2ccccn2 270302a_100000185733_100000209966 [0,2,0,0,0,0|2,0,0]=4 16320 B17R2.5274 Clc1cccc(c1Cl)NCc2ccccn2 34a_100000185733_100000721315 [0,2,0,0,0,0|2,0,0]=4 16321 B17R2.5274 Clc1cccc(c1Cl)NCc2cccnc2 270302a_100000185733_100000209961 [0,2,0,0,0,0|0,0,0]=2 16322 B17R2.5274 Clc1cccc(c1Cl)NCc2cccnc2 34a_100000185733_100000733263 [0,2,0,0,0,0|0,0,0]=2 16323 B17R2.5274 Clc1cccc(c1Cl)NCc2cccnn2 34a_100000185733_100016990269 [0,2,0,0,0,0|1,0,0]=3 16324 B17R2.5274 Clc1cccc(c1Cl)NCc2ccnnc2 270302a_100000185733_100011934578 [0,2,0,0,0,0|1,0,0]=3 16325 B17R2.5274 Clc1cccc(c1Cl)NCc2cnccn2 34a_100000185733_100016995436 [0,2,0,0,0,0|1,0,0]=3 16326 B17R2.5274 Clc1cccc(c1Cl)NCc2cncnc2 270302a_100000185733_100000749868 [0,2,0,0,0,0|1,0,0]=3 16327 B17R2.5274 Clc1cccc(c1Cl)NCc2cncnc2 34a_100000185733_100015196519 [0,2,0,0,0,0|1,0,0]=3 16328 B17R2.5274 Clc1cccc(c1Cl)OCc2ccccc2 34a_100000211076_100015291786 [0,2,0,0,0,0|2,0,0]=4 16329 B17R2.5274 Clc1cccc(c1Cl)OCc2ccccc2 7a_100000211076_100000211182 [0,2,0,0,0,0|2,0,0]=4 16330 B17R2.5274 Clc1cccc(c1Cl)OCc2cccnc2 34a_100000211076_100000733263 [0,2,0,0,0,0|1,0,0]=3 16331 B17R2.5274 Clc1cccc(c1Cl)OCc2cccnc2 7a_100000211076_100000741622 [0,2,0,0,0,0|1,0,0]=3 16332 B17R2.5274 Clc1cccc(c1Cl)OCc2cccnn2 34a_100000211076_100016990269 [0,2,0,0,0,0|2,0,0]=4 16333 B17R2.5274 Clc1cccc(c1Cl)OCc2cccnn2 7a_100000211076_100016990269 [0,2,0,0,0,0|2,0,0]=4 16334 B17R2.5274 Clc1cccc(c1Cl)OCc2cnccn2 34a_100000211076_100016995436 [0,2,0,0,0,0|2,0,0]=4 16335 B17R2.5274 Clc1cccc(c1Cl)OCc2cnccn2 7a_100000211076_100016995436 [0,2,0,0,0,0|2,0,0]=4 16336 B17R2.5274 Clc1cccc(c1Cl)OCc2cncnc2 34a_100000211076_100015196519 [0,2,0,0,0,0|2,0,0]=4 16337 B17R2.5274 Clc1cccc(c1Cl)OCc2cncnc2 7a_100000211076_100015196519 [0,2,0,0,0,0|2,0,0]=4 16338 B17R2.5274 Clc1cccc(c1Cl)SCc2ccccc2 62a_100000211182_100011215384 [0,2,0,0,0,0|2,0,0]=4 16339 B17R2.5274 Clc1cccc(c1Cl)SCc2ccccc2 62a_100011215384_100015291786 [0,2,0,0,0,0|2,0,0]=4 16340 B17R2.5274 Clc1cccc(c1Cl)SCc2cccnc2 62a_100000741622_100011215384 [0,2,0,0,0,0|1,0,0]=3 16341 B17R2.5274 Clc1cccc(c1Cl)SCc2cccnc2 62a_100011215384_100000741622 [0,2,0,0,0,0|1,0,0]=3 16342 B17R2.5274 Clc1cccc(c1Cl)SCc2cccnn2 62a_100011215384_100016990269 [0,2,0,0,0,0|2,0,0]=4 16343 B17R2.5274 Clc1cccc(c1Cl)SCc2cccnn2 62a_100016990269_100011215384 [0,2,0,0,0,0|2,0,0]=4 16344 B17R2.5274 Clc1cccc(c1Cl)SCc2cnccn2 62a_100011215384_100016995436 [0,2,0,0,0,0|2,0,0]=4 16345 B17R2.5274 Clc1cccc(c1Cl)SCc2cnccn2 62a_100016995436_100011215384 [0,2,0,0,0,0|2,0,0]=4 16346 B17R2.5274 Clc1cccc(c1Cl)SCc2cncnc2 62a_100011215384_100015196519 [0,2,0,0,0,0|2,0,0]=4 16347 B17R2.5274 Clc1cccc(c1Cl)SCc2cncnc2 62a_100015196519_100011215384 [0,2,0,0,0,0|2,0,0]=4 16348 B17R2.5274 Clc1cccc(c1I)NCc2ccccc2 34a_100000049713_100015291786 [0,2,0,0,0,0|1,0,0]=3 16349 B17R2.5274 Clc1cccc(c1I)NCc2ccccn2 34a_100000049713_100000721315 [0,2,0,0,0,0|2,0,0]=4 16350 B17R2.5274 Clc1cccc(c1I)NCc2cccnc2 34a_100000049713_100000733263 [0,2,0,0,0,0|0,0,0]=2 16351 B17R2.5274 Clc1cccc(c1I)NCc2cccnn2 34a_100000049713_100016990269 [0,2,0,0,0,0|1,0,0]=3 16352 B17R2.5274 Clc1cccc(c1I)NCc2cnccn2 34a_100000049713_100016995436 [0,2,0,0,0,0|1,0,0]=3 16353 B17R2.5274 Clc1cccc(c1I)NCc2cncnc2 34a_100000049713_100015196519 [0,2,0,0,0,0|1,0,0]=3 16354 B17R2.5274 Clc1cccc(c1I)OCc2ccccc2 34a_100000050174_100015291786 [0,2,0,0,0,0|2,0,0]=4 16355 B17R2.5274 Clc1cccc(c1I)OCc2ccccc2 7a_100000050174_100000211182 [0,2,0,0,0,0|2,0,0]=4 16356 B17R2.5274 Clc1cccc(c1I)OCc2cccnc2 34a_100000050174_100000733263 [0,2,0,0,0,0|1,0,0]=3 16357 B17R2.5274 Clc1cccc(c1I)OCc2cccnc2 7a_100000050174_100000741622 [0,2,0,0,0,0|1,0,0]=3 16358 B17R2.5274 Clc1cccc(c1I)OCc2cccnn2 34a_100000050174_100016990269 [0,2,0,0,0,0|2,0,0]=4 16359 B17R2.5274 Clc1cccc(c1I)OCc2cccnn2 7a_100000050174_100016990269 [0,2,0,0,0,0|2,0,0]=4 16360 B17R2.5274 Clc1cccc(c1I)OCc2cnccn2 34a_100000050174_100016995436 [0,2,0,0,0,0|2,0,0]=4 16361 B17R2.5274 Clc1cccc(c1I)OCc2cnccn2 7a_100000050174_100016995436 [0,2,0,0,0,0|2,0,0]=4 16362 B17R2.5274 Clc1cccc(c1I)OCc2cncnc2 34a_100000050174_100015196519 [0,2,0,0,0,0|2,0,0]=4 16363 B17R2.5274 Clc1cccc(c1I)OCc2cncnc2 7a_100000050174_100015196519 [0,2,0,0,0,0|2,0,0]=4 16364 B17R2.5274 Clc1cncc(c1Cl)CNc2ccccc2 270302a_100000106764_100009852894 [0,2,0,0,0,0|0,0,0]=2 16365 B17R2.5274 Clc1nccc(c1Br)CNc2ccccc2 207a_100000106764_200010064870 [0,2,0,0,0,0|2,0,0]=4 16366 B17R2.5274 Clc1nccc(c1Br)OCc2cccnc2 34a_100010136240_100000733263 [0,2,0,0,0,0|2,0,0]=4 16367 B17R2.5274 Clc1nccc(c1Cl)OCc2cccnc2 34a_100009860235_100000733263 [0,2,0,0,0,0|2,0,0]=4 16368 B17R2.5274 Clc1nccc(c1Cl)SCc2cccnc2 62a_100000741622_100010246212 [0,2,0,0,0,0|2,0,0]=4 16369 B17R2.5274 Clc1nccc(c1Cl)SCc2cccnc2 62a_100010246212_100000741622 [0,2,0,0,0,0|2,0,0]=4 16370 B17R2.5274 Cn1c(cccc1=O)SCc2cccnc2 62a_100000726605_100000741622 [0,2,0,0,0,0|2,0,0]=4 16371 B17R2.5274 Cn1c(cccc1=O)SCc2cccnc2 62a_100000741622_100000726605 [0,2,0,0,0,0|2,0,0]=4 16372 B17R2.5274 Cn1cccc(c1=O)CNc2ccccc2 207a_100000106764_100010354164 [0,2,0,0,0,0|0,0,1]=3 16373 B17R2.5274 Cn1cccc(c1=O)CNc2ccccc2 270302a_100000106764_100010354164 [0,2,0,0,0,0|0,0,1]=3 16374 B17R2.5274 Cn1cccc(c1=O)OCc2cccnc2 34a_100000117616_100000733263 [0,2,0,0,0,0|2,0,0]=4 16375 B17R2.5274 Cn1cccc(c1=O)OCc2cccnc2 7a_100000117616_100000741622 [0,2,0,0,0,0|2,0,0]=4 16376 B17R2.5274 Cn1cccc(c1=O)SCc2cccnc2 62a_100000687173_100000741622 [0,2,0,0,0,0|2,0,0]=4 16377 B17R2.5274 Cn1cccc(c1=O)SCc2cccnc2 62a_100000741622_100000687173 [0,2,0,0,0,0|2,0,0]=4 16378 B17R2.5274 Fc1c(cccc1C=Cc2cccnc2)Br 271570a_100102525586_100000702267 [0,2,0,0,0,0|1,0,1]=4 16379 B17R2.5274 Fc1c(cccc1C=Cc2cccnc2)Cl 271570a_100102525586_100011217346 [0,2,0,0,0,0|1,0,1]=4 16380 B17R2.5274 Fc1c(cccc1CNc2ccccc2)Br 207a_100000106764_100011361543 [0,2,0,0,0,0|1,0,0]=3 16381 B17R2.5274 Fc1c(cccc1CNc2ccccc2)Br 270302a_100000106764_100011361543 [0,2,0,0,0,0|1,0,0]=3 16382 B17R2.5274 Fc1c(cccc1CNc2ccccc2)Br 34a_100000106764_100012356506 [0,2,0,0,0,0|1,0,0]=3 16383 B17R2.5274 Fc1c(cccc1CNc2ccccc2)Cl 207a_100000106764_100000766533 [0,2,0,0,0,0|1,0,0]=3 16384 B17R2.5274 Fc1c(cccc1CNc2ccccc2)Cl 34a_100000106764_100000716733 [0,2,0,0,0,0|1,0,0]=3 16385 B17R2.5274 Fc1c(cccc1CNc2ccccc2)I 207a_100000106764_100010202174 [0,2,0,0,0,0|1,0,0]=3 16386 B17R2.5274 Fc1c(cccc1COc2ccccc2)Br 34a_100000210340_100012356506 [0,2,0,0,0,0|2,0,0]=4 16387 B17R2.5274 Fc1c(cccc1COc2ccccc2)Br 7a_100000210340_100012356506 [0,2,0,0,0,0|2,0,0]=4 16388 B17R2.5274 Fc1c(cccc1COc2ccccc2)Cl 34a_100000210340_100000716733 [0,2,0,0,0,0|2,0,0]=4 16389 B17R2.5274 Fc1c(cccc1COc2ccccc2)Cl 7a_100000210340_100000716733 [0,2,0,0,0,0|2,0,0]=4 16390 B17R2.5274 Fc1c(cccc1COc2cccnc2)Br 34a_100000210849_100012356506 [0,2,0,0,0,0|2,0,0]=4 16391 B17R2.5274 Fc1c(cccc1COc2cccnc2)Br 7a_100000210849_100012356506 [0,2,0,0,0,0|2,0,0]=4 16392 B17R2.5274 Fc1c(cccc1COc2cccnc2)Cl 34a_100000210849_100000716733 [0,2,0,0,0,0|2,0,0]=4 16393 B17R2.5274 Fc1c(cccc1COc2cccnc2)Cl 7a_100000210849_100000716733 [0,2,0,0,0,0|2,0,0]=4 16394 B17R2.5274 Fc1c(cccc1CSc2ccccc2)Br 62a_100000719477_100012356506 [0,2,0,0,0,0|2,0,0]=4 16395 B17R2.5274 Fc1c(cccc1CSc2ccccc2)Br 62a_100012356506_100000041952 [0,2,0,0,0,0|2,0,0]=4 16396 B17R2.5274 Fc1c(cccc1CSc2ccccc2)Cl 62a_100000716733_100000041952 [0,2,0,0,0,0|2,0,0]=4 16397 B17R2.5274 Fc1c(cccc1CSc2ccccc2)Cl 62a_100000719477_100000716733 [0,2,0,0,0,0|2,0,0]=4 16398 B17R2.5274 Fc1c(cccc1CSc2cccnc2)Br 62a_100000210063_100012356506 [0,2,0,0,0,0|2,0,0]=4 16399 B17R2.5274 Fc1c(cccc1CSc2cccnc2)Br 62a_100012356506_100000210063 [0,2,0,0,0,0|2,0,0]=4 16400 B17R2.5274 Fc1c(cccc1CSc2cccnc2)Cl 62a_100000210063_100000716733 [0,2,0,0,0,0|2,0,0]=4 16401 B17R2.5274 Fc1c(cccc1CSc2cccnc2)Cl 62a_100000716733_100000210063 [0,2,0,0,0,0|2,0,0]=4 16402 B17R2.5274 Fc1c(cccc1NCc2ccccc2)Br 207a_100011935091_100015611070 [0,2,0,0,0,0|1,0,0]=3 16403 B17R2.5274 Fc1c(cccc1NCc2ccccc2)Br 2230a_100011935091_100015291786 [0,2,0,0,0,0|1,0,0]=3 16404 B17R2.5274 Fc1c(cccc1NCc2ccccc2)Br 270302a_100011935091_100015611070 [0,2,0,0,0,0|1,0,0]=3 16405 B17R2.5274 Fc1c(cccc1NCc2ccccc2)Br 34a_100011935091_100015291786 [0,2,0,0,0,0|1,0,0]=3 16406 B17R2.5274 Fc1c(cccc1NCc2ccccc2)Cl 207a_100000199060_100015611070 [0,2,0,0,0,0|1,0,0]=3 16407 B17R2.5274 Fc1c(cccc1NCc2ccccc2)Cl 2230a_100000199060_100015291786 [0,2,0,0,0,0|1,0,0]=3 16408 B17R2.5274 Fc1c(cccc1NCc2ccccc2)Cl 270302a_100000199060_100015611070 [0,2,0,0,0,0|1,0,0]=3 16409 B17R2.5274 Fc1c(cccc1NCc2ccccc2)Cl 34a_100000199060_100015291786 [0,2,0,0,0,0|1,0,0]=3 16410 B17R2.5274 Fc1c(cccc1NCc2ccccn2)Br 207a_100011935091_100000209966 [0,2,0,0,0,0|2,0,0]=4 16411 B17R2.5274 Fc1c(cccc1NCc2ccccn2)Br 2230a_100011935091_100000721315 [0,2,0,0,0,0|2,0,0]=4 16412 B17R2.5274 Fc1c(cccc1NCc2ccccn2)Br 270302a_100011935091_100000209966 [0,2,0,0,0,0|2,0,0]=4 16413 B17R2.5274 Fc1c(cccc1NCc2ccccn2)Br 34a_100011935091_100000721315 [0,2,0,0,0,0|2,0,0]=4 16414 B17R2.5274 Fc1c(cccc1NCc2ccccn2)Cl 207a_100000199060_100000209966 [0,2,0,0,0,0|2,0,0]=4 16415 B17R2.5274 Fc1c(cccc1NCc2ccccn2)Cl 2230a_100000199060_100000721315 [0,2,0,0,0,0|2,0,0]=4 16416 B17R2.5274 Fc1c(cccc1NCc2ccccn2)Cl 270302a_100000199060_100000209966 [0,2,0,0,0,0|2,0,0]=4 16417 B17R2.5274 Fc1c(cccc1NCc2ccccn2)Cl 34a_100000199060_100000721315 [0,2,0,0,0,0|2,0,0]=4 16418 B17R2.5274 Fc1c(cccc1NCc2cccnc2)Br 207a_100011935091_100000209961 [0,2,0,0,0,0|0,0,0]=2 16419 B17R2.5274 Fc1c(cccc1NCc2cccnc2)Br 2230a_100011935091_100000741622 [0,2,0,0,0,0|0,0,0]=2 16420 B17R2.5274 Fc1c(cccc1NCc2cccnc2)Br 270302a_100011935091_100000209961 [0,2,0,0,0,0|0,0,0]=2 16421 B17R2.5274 Fc1c(cccc1NCc2cccnc2)Br 34a_100011935091_100000733263 [0,2,0,0,0,0|0,0,0]=2 16422 B17R2.5274 Fc1c(cccc1NCc2cccnc2)Cl 207a_100000199060_100000209961 [0,2,0,0,0,0|0,0,0]=2 16423 B17R2.5274 Fc1c(cccc1NCc2cccnc2)Cl 2230a_100000199060_100000741622 [0,2,0,0,0,0|0,0,0]=2 16424 B17R2.5274 Fc1c(cccc1NCc2cccnc2)Cl 270302a_100000199060_100000209961 [0,2,0,0,0,0|0,0,0]=2 16425 B17R2.5274 Fc1c(cccc1NCc2cccnc2)Cl 34a_100000199060_100000733263 [0,2,0,0,0,0|0,0,0]=2 16426 B17R2.5274 Fc1c(cccc1NCc2cccnn2)Br 2230a_100011935091_100016990269 [0,2,0,0,0,0|1,0,0]=3 16427 B17R2.5274 Fc1c(cccc1NCc2cccnn2)Br 34a_100011935091_100016990269 [0,2,0,0,0,0|1,0,0]=3 16428 B17R2.5274 Fc1c(cccc1NCc2cccnn2)Cl 2230a_100000199060_100016990269 [0,2,0,0,0,0|1,0,0]=3 16429 B17R2.5274 Fc1c(cccc1NCc2cccnn2)Cl 34a_100000199060_100016990269 [0,2,0,0,0,0|1,0,0]=3 16430 B17R2.5274 Fc1c(cccc1NCc2ccncc2)Br 207a_100011935091_100000186114 [0,2,0,0,0,0|2,0,0]=4 16431 B17R2.5274 Fc1c(cccc1NCc2ccncc2)Br 2230a_100011935091_100015193705 [0,2,0,0,0,0|2,0,0]=4 16432 B17R2.5274 Fc1c(cccc1NCc2ccncc2)Cl 207a_100000199060_100000186114 [0,2,0,0,0,0|2,0,0]=4 16433 B17R2.5274 Fc1c(cccc1NCc2ccncc2)Cl 2230a_100000199060_100015193705 [0,2,0,0,0,0|2,0,0]=4 16434 B17R2.5274 Fc1c(cccc1NCc2ccnnc2)Br 270302a_100011935091_100011934578 [0,2,0,0,0,0|1,0,0]=3 16435 B17R2.5274 Fc1c(cccc1NCc2ccnnc2)Cl 270302a_100000199060_100011934578 [0,2,0,0,0,0|1,0,0]=3 16436 B17R2.5274 Fc1c(cccc1NCc2cnccn2)Br 2230a_100011935091_100016995436 [0,2,0,0,0,0|1,0,0]=3 16437 B17R2.5274 Fc1c(cccc1NCc2cnccn2)Br 34a_100011935091_100016995436 [0,2,0,0,0,0|1,0,0]=3 16438 B17R2.5274 Fc1c(cccc1NCc2cnccn2)Cl 2230a_100000199060_100016995436 [0,2,0,0,0,0|1,0,0]=3 16439 B17R2.5274 Fc1c(cccc1NCc2cnccn2)Cl 34a_100000199060_100016995436 [0,2,0,0,0,0|1,0,0]=3 16440 B17R2.5274 Fc1c(cccc1NCc2cncnc2)Br 2230a_100011935091_100015196519 [0,2,0,0,0,0|1,0,0]=3 16441 B17R2.5274 Fc1c(cccc1NCc2cncnc2)Br 270302a_100011935091_100000749868 [0,2,0,0,0,0|1,0,0]=3 16442 B17R2.5274 Fc1c(cccc1NCc2cncnc2)Br 34a_100011935091_100015196519 [0,2,0,0,0,0|1,0,0]=3 16443 B17R2.5274 Fc1c(cccc1NCc2cncnc2)Cl 2230a_100000199060_100015196519 [0,2,0,0,0,0|1,0,0]=3 16444 B17R2.5274 Fc1c(cccc1NCc2cncnc2)Cl 270302a_100000199060_100000749868 [0,2,0,0,0,0|1,0,0]=3 16445 B17R2.5274 Fc1c(cccc1NCc2cncnc2)Cl 34a_100000199060_100015196519 [0,2,0,0,0,0|1,0,0]=3 16446 B17R2.5274 Fc1c(cccc1OCc2ccccc2)Br 34a_100009817021_100015291786 [0,2,0,0,0,0|2,0,0]=4 16447 B17R2.5274 Fc1c(cccc1OCc2ccccc2)Br 7a_100009817021_100000211182 [0,2,0,0,0,0|2,0,0]=4 16448 B17R2.5274 Fc1c(cccc1OCc2ccccc2)Cl 34a_100000687438_100015291786 [0,2,0,0,0,0|2,0,0]=4 16449 B17R2.5274 Fc1c(cccc1OCc2ccccc2)Cl 7a_100000687438_100000211182 [0,2,0,0,0,0|2,0,0]=4 16450 B17R2.5274 Fc1c(cccc1OCc2cccnc2)Br 34a_100009817021_100000733263 [0,2,0,0,0,0|1,0,0]=3 16451 B17R2.5274 Fc1c(cccc1OCc2cccnc2)Br 7a_100009817021_100000741622 [0,2,0,0,0,0|1,0,0]=3 16452 B17R2.5274 Fc1c(cccc1OCc2cccnc2)Cl 34a_100000687438_100000733263 [0,2,0,0,0,0|1,0,0]=3 16453 B17R2.5274 Fc1c(cccc1OCc2cccnc2)Cl 7a_100000687438_100000741622 [0,2,0,0,0,0|1,0,0]=3 16454 B17R2.5274 Fc1c(cccc1OCc2cccnn2)Br 34a_100009817021_100016990269 [0,2,0,0,0,0|2,0,0]=4 16455 B17R2.5274 Fc1c(cccc1OCc2cccnn2)Br 7a_100009817021_100016990269 [0,2,0,0,0,0|2,0,0]=4 16456 B17R2.5274 Fc1c(cccc1OCc2cccnn2)Cl 34a_100000687438_100016990269 [0,2,0,0,0,0|2,0,0]=4 16457 B17R2.5274 Fc1c(cccc1OCc2cccnn2)Cl 7a_100000687438_100016990269 [0,2,0,0,0,0|2,0,0]=4 16458 B17R2.5274 Fc1c(cccc1OCc2cnccn2)Br 34a_100009817021_100016995436 [0,2,0,0,0,0|2,0,0]=4 16459 B17R2.5274 Fc1c(cccc1OCc2cnccn2)Br 7a_100009817021_100016995436 [0,2,0,0,0,0|2,0,0]=4 16460 B17R2.5274 Fc1c(cccc1OCc2cnccn2)Cl 34a_100000687438_100016995436 [0,2,0,0,0,0|2,0,0]=4 16461 B17R2.5274 Fc1c(cccc1OCc2cnccn2)Cl 7a_100000687438_100016995436 [0,2,0,0,0,0|2,0,0]=4 16462 B17R2.5274 Fc1c(cccc1OCc2cncnc2)Br 34a_100009817021_100015196519 [0,2,0,0,0,0|2,0,0]=4 16463 B17R2.5274 Fc1c(cccc1OCc2cncnc2)Br 7a_100009817021_100015196519 [0,2,0,0,0,0|2,0,0]=4 16464 B17R2.5274 Fc1c(cccc1OCc2cncnc2)Cl 34a_100000687438_100015196519 [0,2,0,0,0,0|2,0,0]=4 16465 B17R2.5274 Fc1c(cccc1OCc2cncnc2)Cl 7a_100000687438_100015196519 [0,2,0,0,0,0|2,0,0]=4 16466 B17R2.5274 Fc1c(cccc1SCc2ccccc2)Br 62a_100000211182_100000702267 [0,2,0,0,0,0|2,0,0]=4 16467 B17R2.5274 Fc1c(cccc1SCc2ccccc2)Br 62a_100000702267_100015291786 [0,2,0,0,0,0|2,0,0]=4 16468 B17R2.5274 Fc1c(cccc1SCc2ccccc2)Cl 62a_100000211182_100011217346 [0,2,0,0,0,0|2,0,0]=4 16469 B17R2.5274 Fc1c(cccc1SCc2ccccc2)Cl 62a_100011217346_100015291786 [0,2,0,0,0,0|2,0,0]=4 16470 B17R2.5274 Fc1c(cccc1SCc2cccnc2)Br 62a_100000702267_100000741622 [0,2,0,0,0,0|1,0,0]=3 16471 B17R2.5274 Fc1c(cccc1SCc2cccnc2)Br 62a_100000741622_100000702267 [0,2,0,0,0,0|1,0,0]=3 16472 B17R2.5274 Fc1c(cccc1SCc2cccnc2)Cl 62a_100000741622_100011217346 [0,2,0,0,0,0|1,0,0]=3 16473 B17R2.5274 Fc1c(cccc1SCc2cccnc2)Cl 62a_100011217346_100000741622 [0,2,0,0,0,0|1,0,0]=3 16474 B17R2.5274 Fc1c(cccc1SCc2cccnn2)Br 62a_100000702267_100016990269 [0,2,0,0,0,0|2,0,0]=4 16475 B17R2.5274 Fc1c(cccc1SCc2cccnn2)Br 62a_100016990269_100000702267 [0,2,0,0,0,0|2,0,0]=4 16476 B17R2.5274 Fc1c(cccc1SCc2cccnn2)Cl 62a_100011217346_100016990269 [0,2,0,0,0,0|2,0,0]=4 16477 B17R2.5274 Fc1c(cccc1SCc2cccnn2)Cl 62a_100016990269_100011217346 [0,2,0,0,0,0|2,0,0]=4 16478 B17R2.5274 Fc1c(cccc1SCc2cnccn2)Br 62a_100000702267_100016995436 [0,2,0,0,0,0|2,0,0]=4 16479 B17R2.5274 Fc1c(cccc1SCc2cnccn2)Br 62a_100016995436_100000702267 [0,2,0,0,0,0|2,0,0]=4 16480 B17R2.5274 Fc1c(cccc1SCc2cnccn2)Cl 62a_100011217346_100016995436 [0,2,0,0,0,0|2,0,0]=4 16481 B17R2.5274 Fc1c(cccc1SCc2cnccn2)Cl 62a_100016995436_100011217346 [0,2,0,0,0,0|2,0,0]=4 16482 B17R2.5274 Fc1c(cccc1SCc2cncnc2)Br 62a_100000702267_100015196519 [0,2,0,0,0,0|2,0,0]=4 16483 B17R2.5274 Fc1c(cccc1SCc2cncnc2)Br 62a_100015196519_100000702267 [0,2,0,0,0,0|2,0,0]=4 16484 B17R2.5274 Fc1c(cccc1SCc2cncnc2)Cl 62a_100011217346_100015196519 [0,2,0,0,0,0|2,0,0]=4 16485 B17R2.5274 Fc1c(cccc1SCc2cncnc2)Cl 62a_100015196519_100011217346 [0,2,0,0,0,0|2,0,0]=4 16486 B17R2.5274 Fc1c(ccnc1Br)OCc2cccnc2 34a_100009876375_100000733263 [0,2,0,0,0,0|2,0,0]=4 16487 B17R2.5274 Fc1c(ccnc1Br)SCc2cccnc2 62a_100000741622_200015269031 [0,2,0,0,0,0|2,0,0]=4 16488 B17R2.5274 Fc1c(ccnc1Br)SCc2cccnc2 62a_200015269031_100000741622 [0,2,0,0,0,0|2,0,0]=4 16489 B17R2.5274 Fc1c(ccnc1Cl)OCc2cccnc2 34a_100009856406_100000733263 [0,2,0,0,0,0|2,0,0]=4 16490 B17R2.5274 Fc1c(ccnc1Cl)SCc2cccnc2 62a_100000741622_100010150473 [0,2,0,0,0,0|2,0,0]=4 16491 B17R2.5274 Fc1c(ccnc1Cl)SCc2cccnc2 62a_100010150473_100000741622 [0,2,0,0,0,0|2,0,0]=4 16492 B17R2.5274 Fc1cccc(c1Br)CNc2ccccc2 207a_100000106764_100011934749 [0,2,0,0,0,0|1,0,0]=3 16493 B17R2.5274 Fc1cccc(c1Br)CNc2ccccc2 270302a_100000106764_100011934749 [0,2,0,0,0,0|1,0,0]=3 16494 B17R2.5274 Fc1cccc(c1Br)CNc2ccccc2 34a_100000106764_100012351116 [0,2,0,0,0,0|1,0,0]=3 16495 B17R2.5274 Fc1cccc(c1Br)COc2ccccc2 34a_100000210340_100012351116 [0,2,0,0,0,0|2,0,0]=4 16496 B17R2.5274 Fc1cccc(c1Br)COc2ccccc2 7a_100000210340_100012351116 [0,2,0,0,0,0|2,0,0]=4 16497 B17R2.5274 Fc1cccc(c1Br)COc2cccnc2 34a_100000210849_100012351116 [0,2,0,0,0,0|2,0,0]=4 16498 B17R2.5274 Fc1cccc(c1Br)COc2cccnc2 7a_100000210849_100012351116 [0,2,0,0,0,0|2,0,0]=4 16499 B17R2.5274 Fc1cccc(c1Br)CSc2ccccc2 62a_100000719477_100012351116 [0,2,0,0,0,0|2,0,0]=4 16500 B17R2.5274 Fc1cccc(c1Br)CSc2ccccc2 62a_100012351116_100000041952 [0,2,0,0,0,0|2,0,0]=4 16501 B17R2.5274 Fc1cccc(c1Br)CSc2cccnc2 62a_100000210063_100012351116 [0,2,0,0,0,0|2,0,0]=4 16502 B17R2.5274 Fc1cccc(c1Br)CSc2cccnc2 62a_100012351116_100000210063 [0,2,0,0,0,0|2,0,0]=4 16503 B17R2.5274 Fc1cccc(c1Br)NCc2ccccc2 270302a_100011934729_100015611070 [0,2,0,0,0,0|1,0,0]=3 16504 B17R2.5274 Fc1cccc(c1Br)NCc2ccccc2 34a_100011934729_100015291786 [0,2,0,0,0,0|1,0,0]=3 16505 B17R2.5274 Fc1cccc(c1Br)NCc2ccccn2 270302a_100011934729_100000209966 [0,2,0,0,0,0|2,0,0]=4 16506 B17R2.5274 Fc1cccc(c1Br)NCc2ccccn2 34a_100011934729_100000721315 [0,2,0,0,0,0|2,0,0]=4 16507 B17R2.5274 Fc1cccc(c1Br)NCc2cccnc2 270302a_100011934729_100000209961 [0,2,0,0,0,0|0,0,0]=2 16508 B17R2.5274 Fc1cccc(c1Br)NCc2cccnc2 34a_100011934729_100000733263 [0,2,0,0,0,0|0,0,0]=2 16509 B17R2.5274 Fc1cccc(c1Br)NCc2cccnn2 34a_100011934729_100016990269 [0,2,0,0,0,0|1,0,0]=3 16510 B17R2.5274 Fc1cccc(c1Br)NCc2ccnnc2 270302a_100011934729_100011934578 [0,2,0,0,0,0|1,0,0]=3 16511 B17R2.5274 Fc1cccc(c1Br)NCc2cnccn2 34a_100011934729_100016995436 [0,2,0,0,0,0|1,0,0]=3 16512 B17R2.5274 Fc1cccc(c1Br)NCc2cncnc2 270302a_100011934729_100000749868 [0,2,0,0,0,0|1,0,0]=3 16513 B17R2.5274 Fc1cccc(c1Br)NCc2cncnc2 34a_100011934729_100015196519 [0,2,0,0,0,0|1,0,0]=3 16514 B17R2.5274 Fc1cccc(c1Br)OCc2ccccc2 34a_100009820682_100015291786 [0,2,0,0,0,0|2,0,0]=4 16515 B17R2.5274 Fc1cccc(c1Br)OCc2ccccc2 7a_100009820682_100000211182 [0,2,0,0,0,0|2,0,0]=4 16516 B17R2.5274 Fc1cccc(c1Br)OCc2cccnc2 34a_100009820682_100000733263 [0,2,0,0,0,0|1,0,0]=3 16517 B17R2.5274 Fc1cccc(c1Br)OCc2cccnc2 7a_100009820682_100000741622 [0,2,0,0,0,0|1,0,0]=3 16518 B17R2.5274 Fc1cccc(c1Br)OCc2cccnn2 34a_100009820682_100016990269 [0,2,0,0,0,0|2,0,0]=4 16519 B17R2.5274 Fc1cccc(c1Br)OCc2cccnn2 7a_100009820682_100016990269 [0,2,0,0,0,0|2,0,0]=4 16520 B17R2.5274 Fc1cccc(c1Br)OCc2cnccn2 34a_100009820682_100016995436 [0,2,0,0,0,0|2,0,0]=4 16521 B17R2.5274 Fc1cccc(c1Br)OCc2cnccn2 7a_100009820682_100016995436 [0,2,0,0,0,0|2,0,0]=4 16522 B17R2.5274 Fc1cccc(c1Br)OCc2cncnc2 34a_100009820682_100015196519 [0,2,0,0,0,0|2,0,0]=4 16523 B17R2.5274 Fc1cccc(c1Br)OCc2cncnc2 7a_100009820682_100015196519 [0,2,0,0,0,0|2,0,0]=4 16524 B17R2.5274 Fc1cccc(c1Br)SCc2ccccc2 62a_100000211182_100010202630 [0,2,0,0,0,0|2,0,0]=4 16525 B17R2.5274 Fc1cccc(c1Br)SCc2ccccc2 62a_100010202630_100015291786 [0,2,0,0,0,0|2,0,0]=4 16526 B17R2.5274 Fc1cccc(c1Br)SCc2cccnc2 62a_100000741622_100010202630 [0,2,0,0,0,0|1,0,0]=3 16527 B17R2.5274 Fc1cccc(c1Br)SCc2cccnc2 62a_100010202630_100000741622 [0,2,0,0,0,0|1,0,0]=3 16528 B17R2.5274 Fc1cccc(c1Br)SCc2cccnn2 62a_100010202630_100016990269 [0,2,0,0,0,0|2,0,0]=4 16529 B17R2.5274 Fc1cccc(c1Br)SCc2cccnn2 62a_100016990269_100010202630 [0,2,0,0,0,0|2,0,0]=4 16530 B17R2.5274 Fc1cccc(c1Br)SCc2cnccn2 62a_100010202630_100016995436 [0,2,0,0,0,0|2,0,0]=4 16531 B17R2.5274 Fc1cccc(c1Br)SCc2cnccn2 62a_100016995436_100010202630 [0,2,0,0,0,0|2,0,0]=4 16532 B17R2.5274 Fc1cccc(c1Br)SCc2cncnc2 62a_100010202630_100015196519 [0,2,0,0,0,0|2,0,0]=4 16533 B17R2.5274 Fc1cccc(c1Br)SCc2cncnc2 62a_100015196519_100010202630 [0,2,0,0,0,0|2,0,0]=4 16534 B17R2.5274 Fc1cccc(c1Cl)C=Cc2cccnc2 271570a_100102525586_200010234923 [0,2,0,0,0,0|1,0,1]=4 16535 B17R2.5274 Fc1cccc(c1Cl)CNc2ccccc2 207a_100000106764_100011998484 [0,2,0,0,0,0|1,0,0]=3 16536 B17R2.5274 Fc1cccc(c1Cl)CNc2ccccc2 270302a_100000106764_100011998484 [0,2,0,0,0,0|1,0,0]=3 16537 B17R2.5274 Fc1cccc(c1Cl)CNc2ccccc2 34a_100000106764_100000696688 [0,2,0,0,0,0|1,0,0]=3 16538 B17R2.5274 Fc1cccc(c1Cl)COc2ccccc2 34a_100000210340_100000696688 [0,2,0,0,0,0|2,0,0]=4 16539 B17R2.5274 Fc1cccc(c1Cl)COc2ccccc2 7a_100000210340_100000696688 [0,2,0,0,0,0|2,0,0]=4 16540 B17R2.5274 Fc1cccc(c1Cl)COc2cccnc2 34a_100000210849_100000696688 [0,2,0,0,0,0|2,0,0]=4 16541 B17R2.5274 Fc1cccc(c1Cl)COc2cccnc2 7a_100000210849_100000696688 [0,2,0,0,0,0|2,0,0]=4 16542 B17R2.5274 Fc1cccc(c1Cl)CSc2ccccc2 62a_100000696688_100000041952 [0,2,0,0,0,0|2,0,0]=4 16543 B17R2.5274 Fc1cccc(c1Cl)CSc2ccccc2 62a_100000719477_100000696688 [0,2,0,0,0,0|2,0,0]=4 16544 B17R2.5274 Fc1cccc(c1Cl)CSc2cccnc2 62a_100000210063_100000696688 [0,2,0,0,0,0|2,0,0]=4 16545 B17R2.5274 Fc1cccc(c1Cl)CSc2cccnc2 62a_100000696688_100000210063 [0,2,0,0,0,0|2,0,0]=4 16546 B17R2.5274 Fc1cccc(c1Cl)NCc2ccccc2 270302a_100000692321_100015611070 [0,2,0,0,0,0|1,0,0]=3 16547 B17R2.5274 Fc1cccc(c1Cl)NCc2ccccc2 34a_100000692321_100015291786 [0,2,0,0,0,0|1,0,0]=3 16548 B17R2.5274 Fc1cccc(c1Cl)NCc2ccccn2 270302a_100000692321_100000209966 [0,2,0,0,0,0|2,0,0]=4 16549 B17R2.5274 Fc1cccc(c1Cl)NCc2ccccn2 34a_100000692321_100000721315 [0,2,0,0,0,0|2,0,0]=4 16550 B17R2.5274 Fc1cccc(c1Cl)NCc2cccnc2 270302a_100000692321_100000209961 [0,2,0,0,0,0|0,0,0]=2 16551 B17R2.5274 Fc1cccc(c1Cl)NCc2cccnc2 34a_100000692321_100000733263 [0,2,0,0,0,0|0,0,0]=2 16552 B17R2.5274 Fc1cccc(c1Cl)NCc2cccnn2 34a_100000692321_100016990269 [0,2,0,0,0,0|1,0,0]=3 16553 B17R2.5274 Fc1cccc(c1Cl)NCc2ccnnc2 270302a_100000692321_100011934578 [0,2,0,0,0,0|1,0,0]=3 16554 B17R2.5274 Fc1cccc(c1Cl)NCc2cnccn2 34a_100000692321_100016995436 [0,2,0,0,0,0|1,0,0]=3 16555 B17R2.5274 Fc1cccc(c1Cl)NCc2cncnc2 270302a_100000692321_100000749868 [0,2,0,0,0,0|1,0,0]=3 16556 B17R2.5274 Fc1cccc(c1Cl)NCc2cncnc2 34a_100000692321_100015196519 [0,2,0,0,0,0|1,0,0]=3 16557 B17R2.5274 Fc1cccc(c1Cl)OCc2ccccc2 34a_100000087408_100015291786 [0,2,0,0,0,0|2,0,0]=4 16558 B17R2.5274 Fc1cccc(c1Cl)OCc2ccccc2 7a_100000087408_100000211182 [0,2,0,0,0,0|2,0,0]=4 16559 B17R2.5274 Fc1cccc(c1Cl)OCc2cccnc2 34a_100000087408_100000733263 [0,2,0,0,0,0|1,0,0]=3 16560 B17R2.5274 Fc1cccc(c1Cl)OCc2cccnc2 7a_100000087408_100000741622 [0,2,0,0,0,0|1,0,0]=3 16561 B17R2.5274 Fc1cccc(c1Cl)OCc2cccnn2 34a_100000087408_100016990269 [0,2,0,0,0,0|2,0,0]=4 16562 B17R2.5274 Fc1cccc(c1Cl)OCc2cccnn2 7a_100000087408_100016990269 [0,2,0,0,0,0|2,0,0]=4 16563 B17R2.5274 Fc1cccc(c1Cl)OCc2cnccn2 34a_100000087408_100016995436 [0,2,0,0,0,0|2,0,0]=4 16564 B17R2.5274 Fc1cccc(c1Cl)OCc2cnccn2 7a_100000087408_100016995436 [0,2,0,0,0,0|2,0,0]=4 16565 B17R2.5274 Fc1cccc(c1Cl)OCc2cncnc2 34a_100000087408_100015196519 [0,2,0,0,0,0|2,0,0]=4 16566 B17R2.5274 Fc1cccc(c1Cl)OCc2cncnc2 7a_100000087408_100015196519 [0,2,0,0,0,0|2,0,0]=4 16567 B17R2.5274 Fc1cccc(c1Cl)SCc2ccccc2 62a_100000211182_200010234923 [0,2,0,0,0,0|2,0,0]=4 16568 B17R2.5274 Fc1cccc(c1Cl)SCc2ccccc2 62a_200010234923_100015291786 [0,2,0,0,0,0|2,0,0]=4 16569 B17R2.5274 Fc1cccc(c1Cl)SCc2cccnc2 62a_100000741622_200010234923 [0,2,0,0,0,0|1,0,0]=3 16570 B17R2.5274 Fc1cccc(c1Cl)SCc2cccnc2 62a_200010234923_100000741622 [0,2,0,0,0,0|1,0,0]=3 16571 B17R2.5274 Fc1cccc(c1Cl)SCc2cccnn2 62a_100016990269_200010234923 [0,2,0,0,0,0|2,0,0]=4 16572 B17R2.5274 Fc1cccc(c1Cl)SCc2cccnn2 62a_200010234923_100016990269 [0,2,0,0,0,0|2,0,0]=4 16573 B17R2.5274 Fc1cccc(c1Cl)SCc2cnccn2 62a_100016995436_200010234923 [0,2,0,0,0,0|2,0,0]=4 16574 B17R2.5274 Fc1cccc(c1Cl)SCc2cnccn2 62a_200010234923_100016995436 [0,2,0,0,0,0|2,0,0]=4 16575 B17R2.5274 Fc1cccc(c1Cl)SCc2cncnc2 62a_100015196519_200010234923 [0,2,0,0,0,0|2,0,0]=4 16576 B17R2.5274 Fc1cccc(c1Cl)SCc2cncnc2 62a_200010234923_100015196519 [0,2,0,0,0,0|2,0,0]=4 16577 B17R2.5274 Fc1cccc(c1F)C=Cc2cccnc2 271570a_100102525586_100000694657 [0,2,0,0,0,0|1,0,1]=4 16578 B17R2.5274 Fc1cccc(c1F)CNc2ccccc2 207a_100000106764_100000753312 [0,2,0,0,0,0|1,0,0]=3 16579 B17R2.5274 Fc1cccc(c1F)CNc2ccccc2 270302a_100000106764_100000753312 [0,2,0,0,0,0|1,0,0]=3 16580 B17R2.5274 Fc1cccc(c1F)CNc2ccccc2 34a_100000106764_100000217499 [0,2,0,0,0,0|1,0,0]=3 16581 B17R2.5274 Fc1cccc(c1F)COc2ccccc2 34a_100000210340_100000217499 [0,2,0,0,0,0|2,0,0]=4 16582 B17R2.5274 Fc1cccc(c1F)COc2ccccc2 7a_100000210340_100000217499 [0,2,0,0,0,0|2,0,0]=4 16583 B17R2.5274 Fc1cccc(c1F)COc2cccnc2 34a_100000210849_100000217499 [0,2,0,0,0,0|2,0,0]=4 16584 B17R2.5274 Fc1cccc(c1F)COc2cccnc2 7a_100000210849_100000217499 [0,2,0,0,0,0|2,0,0]=4 16585 B17R2.5274 Fc1cccc(c1F)CSc2ccccc2 62a_100000217499_100000041952 [0,2,0,0,0,0|2,0,0]=4 16586 B17R2.5274 Fc1cccc(c1F)CSc2ccccc2 62a_100000719477_100000217499 [0,2,0,0,0,0|2,0,0]=4 16587 B17R2.5274 Fc1cccc(c1F)CSc2cccnc2 62a_100000210063_100000217499 [0,2,0,0,0,0|2,0,0]=4 16588 B17R2.5274 Fc1cccc(c1F)CSc2cccnc2 62a_100000217499_100000210063 [0,2,0,0,0,0|2,0,0]=4 16589 B17R2.5274 Fc1cccc(c1F)NCc2ccccc2 270302a_100000743855_100015611070 [0,2,0,0,0,0|1,0,0]=3 16590 B17R2.5274 Fc1cccc(c1F)NCc2ccccc2 34a_100000743855_100015291786 [0,2,0,0,0,0|1,0,0]=3 16591 B17R2.5274 Fc1cccc(c1F)NCc2ccccn2 270302a_100000743855_100000209966 [0,2,0,0,0,0|2,0,0]=4 16592 B17R2.5274 Fc1cccc(c1F)NCc2ccccn2 34a_100000743855_100000721315 [0,2,0,0,0,0|2,0,0]=4 16593 B17R2.5274 Fc1cccc(c1F)NCc2cccnc2 270302a_100000743855_100000209961 [0,2,0,0,0,0|0,0,0]=2 16594 B17R2.5274 Fc1cccc(c1F)NCc2cccnc2 34a_100000743855_100000733263 [0,2,0,0,0,0|0,0,0]=2 16595 B17R2.5274 Fc1cccc(c1F)NCc2cccnn2 34a_100000743855_100016990269 [0,2,0,0,0,0|1,0,0]=3 16596 B17R2.5274 Fc1cccc(c1F)NCc2ccnnc2 270302a_100000743855_100011934578 [0,2,0,0,0,0|1,0,0]=3 16597 B17R2.5274 Fc1cccc(c1F)NCc2cnccn2 34a_100000743855_100016995436 [0,2,0,0,0,0|1,0,0]=3 16598 B17R2.5274 Fc1cccc(c1F)NCc2cncnc2 270302a_100000743855_100000749868 [0,2,0,0,0,0|1,0,0]=3 16599 B17R2.5274 Fc1cccc(c1F)NCc2cncnc2 34a_100000743855_100015196519 [0,2,0,0,0,0|1,0,0]=3 16600 B17R2.5274 Fc1cccc(c1F)OCc2ccccc2 34a_100000751161_100015291786 [0,2,0,0,0,0|2,0,0]=4 16601 B17R2.5274 Fc1cccc(c1F)OCc2ccccc2 7a_100000751161_100000211182 [0,2,0,0,0,0|2,0,0]=4 16602 B17R2.5274 Fc1cccc(c1F)OCc2cccnc2 34a_100000751161_100000733263 [0,2,0,0,0,0|1,0,0]=3 16603 B17R2.5274 Fc1cccc(c1F)OCc2cccnc2 7a_100000751161_100000741622 [0,2,0,0,0,0|1,0,0]=3 16604 B17R2.5274 Fc1cccc(c1F)OCc2cccnn2 34a_100000751161_100016990269 [0,2,0,0,0,0|2,0,0]=4 16605 B17R2.5274 Fc1cccc(c1F)OCc2cccnn2 7a_100000751161_100016990269 [0,2,0,0,0,0|2,0,0]=4 16606 B17R2.5274 Fc1cccc(c1F)OCc2cnccn2 34a_100000751161_100016995436 [0,2,0,0,0,0|2,0,0]=4 16607 B17R2.5274 Fc1cccc(c1F)OCc2cnccn2 7a_100000751161_100016995436 [0,2,0,0,0,0|2,0,0]=4 16608 B17R2.5274 Fc1cccc(c1F)OCc2cncnc2 34a_100000751161_100015196519 [0,2,0,0,0,0|2,0,0]=4 16609 B17R2.5274 Fc1cccc(c1F)OCc2cncnc2 7a_100000751161_100015196519 [0,2,0,0,0,0|2,0,0]=4 16610 B17R2.5274 Fc1cccc(c1F)SCc2ccccc2 62a_100000211182_100000694657 [0,2,0,0,0,0|2,0,0]=4 16611 B17R2.5274 Fc1cccc(c1F)SCc2ccccc2 62a_100000694657_100015291786 [0,2,0,0,0,0|2,0,0]=4 16612 B17R2.5274 Fc1cccc(c1F)SCc2cccnc2 62a_100000694657_100000741622 [0,2,0,0,0,0|1,0,0]=3 16613 B17R2.5274 Fc1cccc(c1F)SCc2cccnc2 62a_100000741622_100000694657 [0,2,0,0,0,0|1,0,0]=3 16614 B17R2.5274 Fc1cccc(c1F)SCc2cccnn2 62a_100000694657_100016990269 [0,2,0,0,0,0|2,0,0]=4 16615 B17R2.5274 Fc1cccc(c1F)SCc2cccnn2 62a_100016990269_100000694657 [0,2,0,0,0,0|2,0,0]=4 16616 B17R2.5274 Fc1cccc(c1F)SCc2cnccn2 62a_100000694657_100016995436 [0,2,0,0,0,0|2,0,0]=4 16617 B17R2.5274 Fc1cccc(c1F)SCc2cnccn2 62a_100016995436_100000694657 [0,2,0,0,0,0|2,0,0]=4 16618 B17R2.5274 Fc1cccc(c1F)SCc2cncnc2 62a_100000694657_100015196519 [0,2,0,0,0,0|2,0,0]=4 16619 B17R2.5274 Fc1cccc(c1F)SCc2cncnc2 62a_100015196519_100000694657 [0,2,0,0,0,0|2,0,0]=4 16620 B17R2.5274 Fc1cccc(c1I)CNc2ccccc2 207a_100000106764_100010186293 [0,2,0,0,0,0|1,0,0]=3 16621 B17R2.5274 Fc1cccc(c1I)CNc2ccccc2 34a_100000106764_100010149603 [0,2,0,0,0,0|1,0,0]=3 16622 B17R2.5274 Fc1cccc(c1I)COc2ccccc2 34a_100000210340_100010149603 [0,2,0,0,0,0|2,0,0]=4 16623 B17R2.5274 Fc1cccc(c1I)COc2ccccc2 7a_100000210340_100010149603 [0,2,0,0,0,0|2,0,0]=4 16624 B17R2.5274 Fc1cccc(c1I)COc2cccnc2 34a_100000210849_100010149603 [0,2,0,0,0,0|2,0,0]=4 16625 B17R2.5274 Fc1cccc(c1I)COc2cccnc2 7a_100000210849_100010149603 [0,2,0,0,0,0|2,0,0]=4 16626 B17R2.5274 Fc1cccc(c1I)CSc2ccccc2 62a_100000719477_100010149603 [0,2,0,0,0,0|2,0,0]=4 16627 B17R2.5274 Fc1cccc(c1I)CSc2ccccc2 62a_100010149603_100000041952 [0,2,0,0,0,0|2,0,0]=4 16628 B17R2.5274 Fc1cccc(c1I)CSc2cccnc2 62a_100000210063_100010149603 [0,2,0,0,0,0|2,0,0]=4 16629 B17R2.5274 Fc1cccc(c1I)CSc2cccnc2 62a_100010149603_100000210063 [0,2,0,0,0,0|2,0,0]=4 16630 B17R2.5274 Fc1cccc(c1I)NCc2ccccc2 34a_100000690935_100015291786 [0,2,0,0,0,0|1,0,0]=3 16631 B17R2.5274 Fc1cccc(c1I)NCc2ccccn2 34a_100000690935_100000721315 [0,2,0,0,0,0|2,0,0]=4 16632 B17R2.5274 Fc1cccc(c1I)NCc2cccnc2 34a_100000690935_100000733263 [0,2,0,0,0,0|0,0,0]=2 16633 B17R2.5274 Fc1cccc(c1I)NCc2cccnn2 34a_100000690935_100016990269 [0,2,0,0,0,0|1,0,0]=3 16634 B17R2.5274 Fc1cccc(c1I)NCc2cnccn2 34a_100000690935_100016995436 [0,2,0,0,0,0|1,0,0]=3 16635 B17R2.5274 Fc1cccc(c1I)NCc2cncnc2 34a_100000690935_100015196519 [0,2,0,0,0,0|1,0,0]=3 16636 B17R2.5274 Fc1cccc(c1I)OCc2ccccc2 34a_100000690913_100015291786 [0,2,0,0,0,0|2,0,0]=4 16637 B17R2.5274 Fc1cccc(c1I)OCc2ccccc2 7a_100000690913_100000211182 [0,2,0,0,0,0|2,0,0]=4 16638 B17R2.5274 Fc1cccc(c1I)OCc2cccnc2 34a_100000690913_100000733263 [0,2,0,0,0,0|1,0,0]=3 16639 B17R2.5274 Fc1cccc(c1I)OCc2cccnc2 7a_100000690913_100000741622 [0,2,0,0,0,0|1,0,0]=3 16640 B17R2.5274 Fc1cccc(c1I)OCc2cccnn2 34a_100000690913_100016990269 [0,2,0,0,0,0|2,0,0]=4 16641 B17R2.5274 Fc1cccc(c1I)OCc2cccnn2 7a_100000690913_100016990269 [0,2,0,0,0,0|2,0,0]=4 16642 B17R2.5274 Fc1cccc(c1I)OCc2cnccn2 34a_100000690913_100016995436 [0,2,0,0,0,0|2,0,0]=4 16643 B17R2.5274 Fc1cccc(c1I)OCc2cnccn2 7a_100000690913_100016995436 [0,2,0,0,0,0|2,0,0]=4 16644 B17R2.5274 Fc1cccc(c1I)OCc2cncnc2 34a_100000690913_100015196519 [0,2,0,0,0,0|2,0,0]=4 16645 B17R2.5274 Fc1cccc(c1I)OCc2cncnc2 7a_100000690913_100015196519 [0,2,0,0,0,0|2,0,0]=4 16646 B17R2.5274 Fc1nccc(c1Br)NCc2ccccc2 27a_100015324214_100010006599 [0,2,0,0,0,0|2,0,0]=4 16647 B17R2.5274 Fc1nccc(c1Br)NCc2cccnc2 27a_100000210453_100010006599 [0,2,0,0,0,0|1,0,0]=3 16648 B17R2.5274 Fc1nccc(c1Br)NCc2cccnn2 27a_100159270163_100010006599 [0,2,0,0,0,0|2,0,0]=4 16649 B17R2.5274 Fc1nccc(c1Br)NCc2cnccn2 27a_100000737960_100010006599 [0,2,0,0,0,0|2,0,0]=4 16650 B17R2.5274 Fc1nccc(c1Br)NCc2cncnc2 27a_100011243677_100010006599 [0,2,0,0,0,0|2,0,0]=4 16651 B17R2.5274 Fc1nccc(c1Br)SCc2cccnc2 62a_100000741622_100010006599 [0,2,0,0,0,0|2,0,0]=4 16652 B17R2.5274 Fc1nccc(c1Br)SCc2cccnc2 62a_100010006599_100000741622 [0,2,0,0,0,0|2,0,0]=4 16653 B17R2.5274 Fc1nccc(c1Cl)NCc2ccccc2 27a_100015324214_100010067886 [0,2,0,0,0,0|2,0,0]=4 16654 B17R2.5274 Fc1nccc(c1Cl)NCc2cccnc2 27a_100000210453_100010067886 [0,2,0,0,0,0|1,0,0]=3 16655 B17R2.5274 Fc1nccc(c1Cl)NCc2cccnn2 27a_100159270163_100010067886 [0,2,0,0,0,0|2,0,0]=4 16656 B17R2.5274 Fc1nccc(c1Cl)NCc2cnccn2 27a_100000737960_100010067886 [0,2,0,0,0,0|2,0,0]=4 16657 B17R2.5274 Fc1nccc(c1Cl)NCc2cncnc2 27a_100011243677_100010067886 [0,2,0,0,0,0|2,0,0]=4 16658 B17R2.5274 Fc1nccc(c1Cl)SCc2cccnc2 62a_100000741622_100010067886 [0,2,0,0,0,0|2,0,0]=4 16659 B17R2.5274 Fc1nccc(c1Cl)SCc2cccnc2 62a_100010067886_100000741622 [0,2,0,0,0,0|2,0,0]=4 16660 B17R2.5274 Fc1nccc(c1F)NCc2ccccc2 27a_100015324214_100010214882 [0,2,0,0,0,0|2,0,0]=4 16661 B17R2.5274 Fc1nccc(c1F)NCc2cccnc2 27a_100000210453_100010214882 [0,2,0,0,0,0|1,0,0]=3 16662 B17R2.5274 Fc1nccc(c1F)NCc2cccnn2 27a_100159270163_100010214882 [0,2,0,0,0,0|2,0,0]=4 16663 B17R2.5274 Fc1nccc(c1F)NCc2cnccn2 27a_100000737960_100010214882 [0,2,0,0,0,0|2,0,0]=4 16664 B17R2.5274 Fc1nccc(c1F)NCc2cncnc2 27a_100011243677_100010214882 [0,2,0,0,0,0|2,0,0]=4 16665 B17R2.5274 Fc1nccc(c1F)SCc2cccnc2 62a_100000741622_100010214882 [0,2,0,0,0,0|2,0,0]=4 16666 B17R2.5274 Fc1nccc(c1F)SCc2cccnc2 62a_100010214882_100000741622 [0,2,0,0,0,0|2,0,0]=4 16667 B17R2.5274 Nc1c(cccc1C=Cc2cccnc2)Br 271570a_100102525586_100010146558 [0,2,0,0,0,0|1,0,1]=4 16668 B17R2.5274 Nc1c(cccc1C=Cc2cccnc2)Cl 271570a_100102525586_100010190421 [0,2,0,0,0,0|1,0,1]=4 16669 B17R2.5274 Nc1c(cccc1C=Cc2cccnc2)F 271570a_100102525586_100000042321 [0,2,0,0,0,0|1,0,1]=4 16670 B17R2.5274 Nc1c(cccc1C=Cc2cccnc2)O 271570a_100102525586_100011934926 [0,2,0,0,0,0|1,0,1]=4 16671 B17R2.5274 Nc1c(cccc1OCc2ccccc2)Br 34a_100011934926_100015291786 [0,2,0,0,0,0|2,0,0]=4 16672 B17R2.5274 Nc1c(cccc1OCc2ccccc2)Br 7a_100011934926_100000211182 [0,2,0,0,0,0|2,0,0]=4 16673 B17R2.5274 Nc1c(cccc1OCc2ccccc2)Cl 34a_100012022510_100015291786 [0,2,0,0,0,0|2,0,0]=4 16674 B17R2.5274 Nc1c(cccc1OCc2ccccc2)Cl 7a_100012022510_100000211182 [0,2,0,0,0,0|2,0,0]=4 16675 B17R2.5274 Nc1c(cccc1OCc2ccccc2)F 34a_100020591140_100015291786 [0,2,0,0,0,0|2,0,0]=4 16676 B17R2.5274 Nc1c(cccc1OCc2ccccc2)F 7a_100020591140_100000211182 [0,2,0,0,0,0|2,0,0]=4 16677 B17R2.5274 Nc1c(cccc1OCc2ccccc2)I 34a_200000049512_100015291786 [0,2,0,0,0,0|2,0,0]=4 16678 B17R2.5274 Nc1c(cccc1OCc2ccccc2)I 7a_200000049512_100000211182 [0,2,0,0,0,0|2,0,0]=4 16679 B17R2.5274 Nc1c(cccc1OCc2cccnc2)Br 34a_100011934926_100000733263 [0,2,0,0,0,0|1,0,0]=3 16680 B17R2.5274 Nc1c(cccc1OCc2cccnc2)Br 7a_100011934926_100000741622 [0,2,0,0,0,0|1,0,0]=3 16681 B17R2.5274 Nc1c(cccc1OCc2cccnc2)Cl 34a_100012022510_100000733263 [0,2,0,0,0,0|1,0,0]=3 16682 B17R2.5274 Nc1c(cccc1OCc2cccnc2)Cl 7a_100012022510_100000741622 [0,2,0,0,0,0|1,0,0]=3 16683 B17R2.5274 Nc1c(cccc1OCc2cccnc2)F 34a_100020591140_100000733263 [0,2,0,0,0,0|1,0,0]=3 16684 B17R2.5274 Nc1c(cccc1OCc2cccnc2)F 7a_100020591140_100000741622 [0,2,0,0,0,0|1,0,0]=3 16685 B17R2.5274 Nc1c(cccc1OCc2cccnc2)I 34a_200000049512_100000733263 [0,2,0,0,0,0|1,0,0]=3 16686 B17R2.5274 Nc1c(cccc1OCc2cccnc2)I 7a_200000049512_100000741622 [0,2,0,0,0,0|1,0,0]=3 16687 B17R2.5274 Nc1c(cccc1OCc2cccnn2)Br 34a_100011934926_100016990269 [0,2,0,0,0,0|2,0,0]=4 16688 B17R2.5274 Nc1c(cccc1OCc2cccnn2)Br 7a_100011934926_100016990269 [0,2,0,0,0,0|2,0,0]=4 16689 B17R2.5274 Nc1c(cccc1OCc2cccnn2)Cl 34a_100012022510_100016990269 [0,2,0,0,0,0|2,0,0]=4 16690 B17R2.5274 Nc1c(cccc1OCc2cccnn2)Cl 7a_100012022510_100016990269 [0,2,0,0,0,0|2,0,0]=4 16691 B17R2.5274 Nc1c(cccc1OCc2cccnn2)F 34a_100020591140_100016990269 [0,2,0,0,0,0|2,0,0]=4 16692 B17R2.5274 Nc1c(cccc1OCc2cccnn2)F 7a_100020591140_100016990269 [0,2,0,0,0,0|2,0,0]=4 16693 B17R2.5274 Nc1c(cccc1OCc2cccnn2)I 34a_200000049512_100016990269 [0,2,0,0,0,0|2,0,0]=4 16694 B17R2.5274 Nc1c(cccc1OCc2cccnn2)I 7a_200000049512_100016990269 [0,2,0,0,0,0|2,0,0]=4 16695 B17R2.5274 Nc1c(cccc1OCc2cnccn2)Br 34a_100011934926_100016995436 [0,2,0,0,0,0|2,0,0]=4 16696 B17R2.5274 Nc1c(cccc1OCc2cnccn2)Br 7a_100011934926_100016995436 [0,2,0,0,0,0|2,0,0]=4 16697 B17R2.5274 Nc1c(cccc1OCc2cnccn2)Cl 34a_100012022510_100016995436 [0,2,0,0,0,0|2,0,0]=4 16698 B17R2.5274 Nc1c(cccc1OCc2cnccn2)Cl 7a_100012022510_100016995436 [0,2,0,0,0,0|2,0,0]=4 16699 B17R2.5274 Nc1c(cccc1OCc2cnccn2)F 34a_100020591140_100016995436 [0,2,0,0,0,0|2,0,0]=4 16700 B17R2.5274 Nc1c(cccc1OCc2cnccn2)F 7a_100020591140_100016995436 [0,2,0,0,0,0|2,0,0]=4 16701 B17R2.5274 Nc1c(cccc1OCc2cnccn2)I 34a_200000049512_100016995436 [0,2,0,0,0,0|2,0,0]=4 16702 B17R2.5274 Nc1c(cccc1OCc2cnccn2)I 7a_200000049512_100016995436 [0,2,0,0,0,0|2,0,0]=4 16703 B17R2.5274 Nc1c(cccc1OCc2cncnc2)Br 34a_100011934926_100015196519 [0,2,0,0,0,0|2,0,0]=4 16704 B17R2.5274 Nc1c(cccc1OCc2cncnc2)Br 7a_100011934926_100015196519 [0,2,0,0,0,0|2,0,0]=4 16705 B17R2.5274 Nc1c(cccc1OCc2cncnc2)Cl 34a_100012022510_100015196519 [0,2,0,0,0,0|2,0,0]=4 16706 B17R2.5274 Nc1c(cccc1OCc2cncnc2)Cl 7a_100012022510_100015196519 [0,2,0,0,0,0|2,0,0]=4 16707 B17R2.5274 Nc1c(cccc1OCc2cncnc2)F 34a_100020591140_100015196519 [0,2,0,0,0,0|2,0,0]=4 16708 B17R2.5274 Nc1c(cccc1OCc2cncnc2)F 7a_100020591140_100015196519 [0,2,0,0,0,0|2,0,0]=4 16709 B17R2.5274 Nc1c(cccc1OCc2cncnc2)I 34a_200000049512_100015196519 [0,2,0,0,0,0|2,0,0]=4 16710 B17R2.5274 Nc1c(cccc1OCc2cncnc2)I 7a_200000049512_100015196519 [0,2,0,0,0,0|2,0,0]=4 16711 B17R2.5274 Nc1c(cccc1SCc2ccccc2)Br 62a_100000211182_100010146558 [0,2,0,0,0,0|2,0,0]=4 16712 B17R2.5274 Nc1c(cccc1SCc2ccccc2)Br 62a_100010146558_100015291786 [0,2,0,0,0,0|2,0,0]=4 16713 B17R2.5274 Nc1c(cccc1SCc2ccccc2)Cl 62a_100000211182_100010190421 [0,2,0,0,0,0|2,0,0]=4 16714 B17R2.5274 Nc1c(cccc1SCc2ccccc2)Cl 62a_100010190421_100015291786 [0,2,0,0,0,0|2,0,0]=4 16715 B17R2.5274 Nc1c(cccc1SCc2ccccc2)F 62a_100000042321_100015291786 [0,2,0,0,0,0|2,0,0]=4 16716 B17R2.5274 Nc1c(cccc1SCc2ccccc2)F 62a_100000211182_100000042321 [0,2,0,0,0,0|2,0,0]=4 16717 B17R2.5274 Nc1c(cccc1SCc2ccccc2)O 62a_100000211182_100011934926 [0,2,0,0,0,0|2,0,0]=4 16718 B17R2.5274 Nc1c(cccc1SCc2cccnc2)Br 62a_100000741622_100010146558 [0,2,0,0,0,0|1,0,0]=3 16719 B17R2.5274 Nc1c(cccc1SCc2cccnc2)Br 62a_100010146558_100000741622 [0,2,0,0,0,0|1,0,0]=3 16720 B17R2.5274 Nc1c(cccc1SCc2cccnc2)Cl 62a_100000741622_100010190421 [0,2,0,0,0,0|1,0,0]=3 16721 B17R2.5274 Nc1c(cccc1SCc2cccnc2)Cl 62a_100010190421_100000741622 [0,2,0,0,0,0|1,0,0]=3 16722 B17R2.5274 Nc1c(cccc1SCc2cccnc2)F 62a_100000042321_100000741622 [0,2,0,0,0,0|1,0,0]=3 16723 B17R2.5274 Nc1c(cccc1SCc2cccnc2)F 62a_100000741622_100000042321 [0,2,0,0,0,0|1,0,0]=3 16724 B17R2.5274 Nc1c(cccc1SCc2cccnc2)O 62a_100000741622_100011934926 [0,2,0,0,0,0|1,0,0]=3 16725 B17R2.5274 Nc1c(cccc1SCc2cccnn2)Br 62a_100010146558_100016990269 [0,2,0,0,0,0|2,0,0]=4 16726 B17R2.5274 Nc1c(cccc1SCc2cccnn2)Br 62a_100016990269_100010146558 [0,2,0,0,0,0|2,0,0]=4 16727 B17R2.5274 Nc1c(cccc1SCc2cccnn2)Cl 62a_100010190421_100016990269 [0,2,0,0,0,0|2,0,0]=4 16728 B17R2.5274 Nc1c(cccc1SCc2cccnn2)Cl 62a_100016990269_100010190421 [0,2,0,0,0,0|2,0,0]=4 16729 B17R2.5274 Nc1c(cccc1SCc2cccnn2)F 62a_100000042321_100016990269 [0,2,0,0,0,0|2,0,0]=4 16730 B17R2.5274 Nc1c(cccc1SCc2cccnn2)F 62a_100016990269_100000042321 [0,2,0,0,0,0|2,0,0]=4 16731 B17R2.5274 Nc1c(cccc1SCc2cccnn2)O 62a_100016990269_100011934926 [0,2,0,0,0,0|2,0,0]=4 16732 B17R2.5274 Nc1c(cccc1SCc2cnccn2)Br 62a_100010146558_100016995436 [0,2,0,0,0,0|2,0,0]=4 16733 B17R2.5274 Nc1c(cccc1SCc2cnccn2)Br 62a_100016995436_100010146558 [0,2,0,0,0,0|2,0,0]=4 16734 B17R2.5274 Nc1c(cccc1SCc2cnccn2)Cl 62a_100010190421_100016995436 [0,2,0,0,0,0|2,0,0]=4 16735 B17R2.5274 Nc1c(cccc1SCc2cnccn2)Cl 62a_100016995436_100010190421 [0,2,0,0,0,0|2,0,0]=4 16736 B17R2.5274 Nc1c(cccc1SCc2cnccn2)F 62a_100000042321_100016995436 [0,2,0,0,0,0|2,0,0]=4 16737 B17R2.5274 Nc1c(cccc1SCc2cnccn2)F 62a_100016995436_100000042321 [0,2,0,0,0,0|2,0,0]=4 16738 B17R2.5274 Nc1c(cccc1SCc2cnccn2)O 62a_100016995436_100011934926 [0,2,0,0,0,0|2,0,0]=4 16739 B17R2.5274 Nc1c(cccc1SCc2cncnc2)Br 62a_100010146558_100015196519 [0,2,0,0,0,0|2,0,0]=4 16740 B17R2.5274 Nc1c(cccc1SCc2cncnc2)Br 62a_100015196519_100010146558 [0,2,0,0,0,0|2,0,0]=4 16741 B17R2.5274 Nc1c(cccc1SCc2cncnc2)Cl 62a_100010190421_100015196519 [0,2,0,0,0,0|2,0,0]=4 16742 B17R2.5274 Nc1c(cccc1SCc2cncnc2)Cl 62a_100015196519_100010190421 [0,2,0,0,0,0|2,0,0]=4 16743 B17R2.5274 Nc1c(cccc1SCc2cncnc2)F 62a_100000042321_100015196519 [0,2,0,0,0,0|2,0,0]=4 16744 B17R2.5274 Nc1c(cccc1SCc2cncnc2)F 62a_100015196519_100000042321 [0,2,0,0,0,0|2,0,0]=4 16745 B17R2.5274 Nc1c(cccc1SCc2cncnc2)O 62a_100015196519_100011934926 [0,2,0,0,0,0|2,0,0]=4 16746 B17R2.5274 Nc1c(ccnc1Cl)OCc2cccnc2 34a_100000128729_100000733263 [0,2,0,0,0,0|2,0,0]=4 16747 B17R2.5274 Nc1c(cncc1C#Cc2ccccc2)Br 271570a_100000069678_100011290786 [0,2,0,0,0,0|1,0,1]=4 16748 B17R2.5274 Nc1c(cncc1C#Cc2ccccc2)Cl 271570a_100000069678_100000684942 [0,2,0,0,0,0|1,0,1]=4 16749 B17R2.5274 Nc1c(cncc1C#Cc2ccccc2)F 271570a_100000069678_100009880649 [0,2,0,0,0,0|1,0,1]=4 16750 B17R2.5274 Nc1c(cncc1C=Cc2ccccc2)Br 271570a_100102527694_100011290786 [0,2,0,0,0,0|1,0,1]=4 16751 B17R2.5274 Nc1c(cncc1C=Cc2ccccc2)Cl 271570a_100102527694_100000684942 [0,2,0,0,0,0|1,0,1]=4 16752 B17R2.5274 Nc1c(cncc1C=Cc2ccccc2)F 271570a_100102527694_100009880649 [0,2,0,0,0,0|1,0,1]=4 16753 B17R2.5274 Nc1c(cncc1SCc2ccccc2)Br 62a_100000211182_100011290786 [0,2,0,0,0,0|2,0,0]=4 16754 B17R2.5274 Nc1c(cncc1SCc2ccccc2)Br 62a_100011290786_100015291786 [0,2,0,0,0,0|2,0,0]=4 16755 B17R2.5274 Nc1c(cncc1SCc2ccccc2)Cl 62a_100000211182_100000684942 [0,2,0,0,0,0|2,0,0]=4 16756 B17R2.5274 Nc1c(cncc1SCc2ccccc2)Cl 62a_100000684942_100015291786 [0,2,0,0,0,0|2,0,0]=4 16757 B17R2.5274 Nc1c(cncc1SCc2ccccc2)F 62a_100000211182_100009880649 [0,2,0,0,0,0|2,0,0]=4 16758 B17R2.5274 Nc1c(cncc1SCc2ccccc2)F 62a_100009880649_100015291786 [0,2,0,0,0,0|2,0,0]=4 16759 B17R2.5274 Nc1c(cncc1SCc2cccnc2)Br 62a_100000741622_100011290786 [0,2,0,0,0,0|2,0,0]=4 16760 B17R2.5274 Nc1c(cncc1SCc2cccnc2)Br 62a_100011290786_100000741622 [0,2,0,0,0,0|2,0,0]=4 16761 B17R2.5274 Nc1c(cncc1SCc2cccnc2)Cl 62a_100000684942_100000741622 [0,2,0,0,0,0|2,0,0]=4 16762 B17R2.5274 Nc1c(cncc1SCc2cccnc2)Cl 62a_100000741622_100000684942 [0,2,0,0,0,0|2,0,0]=4 16763 B17R2.5274 Nc1c(cncc1SCc2cccnc2)F 62a_100000741622_100009880649 [0,2,0,0,0,0|2,0,0]=4 16764 B17R2.5274 Nc1c(cncc1SCc2cccnc2)F 62a_100009880649_100000741622 [0,2,0,0,0,0|2,0,0]=4 16765 B17R2.5274 Nc1cccc(c1Br)OCc2ccccc2 34a_100012183704_100015291786 [0,2,0,0,0,0|2,0,0]=4 16766 B17R2.5274 Nc1cccc(c1Br)OCc2ccccc2 7a_100012183704_100000211182 [0,2,0,0,0,0|2,0,0]=4 16767 B17R2.5274 Nc1cccc(c1Br)OCc2cccnc2 34a_100012183704_100000733263 [0,2,0,0,0,0|1,0,0]=3 16768 B17R2.5274 Nc1cccc(c1Br)OCc2cccnc2 7a_100012183704_100000741622 [0,2,0,0,0,0|1,0,0]=3 16769 B17R2.5274 Nc1cccc(c1Br)OCc2cccnn2 34a_100012183704_100016990269 [0,2,0,0,0,0|2,0,0]=4 16770 B17R2.5274 Nc1cccc(c1Br)OCc2cccnn2 7a_100012183704_100016990269 [0,2,0,0,0,0|2,0,0]=4 16771 B17R2.5274 Nc1cccc(c1Br)OCc2cnccn2 34a_100012183704_100016995436 [0,2,0,0,0,0|2,0,0]=4 16772 B17R2.5274 Nc1cccc(c1Br)OCc2cnccn2 7a_100012183704_100016995436 [0,2,0,0,0,0|2,0,0]=4 16773 B17R2.5274 Nc1cccc(c1Br)OCc2cncnc2 34a_100012183704_100015196519 [0,2,0,0,0,0|2,0,0]=4 16774 B17R2.5274 Nc1cccc(c1Br)OCc2cncnc2 7a_100012183704_100015196519 [0,2,0,0,0,0|2,0,0]=4 16775 B17R2.5274 Nc1cccc(c1Cl)OCc2ccccc2 34a_100012002038_100015291786 [0,2,0,0,0,0|2,0,0]=4 16776 B17R2.5274 Nc1cccc(c1Cl)OCc2ccccc2 7a_100012002038_100000211182 [0,2,0,0,0,0|2,0,0]=4 16777 B17R2.5274 Nc1cccc(c1Cl)OCc2cccnc2 34a_100012002038_100000733263 [0,2,0,0,0,0|1,0,0]=3 16778 B17R2.5274 Nc1cccc(c1Cl)OCc2cccnc2 7a_100012002038_100000741622 [0,2,0,0,0,0|1,0,0]=3 16779 B17R2.5274 Nc1cccc(c1Cl)OCc2cccnn2 34a_100012002038_100016990269 [0,2,0,0,0,0|2,0,0]=4 16780 B17R2.5274 Nc1cccc(c1Cl)OCc2cccnn2 7a_100012002038_100016990269 [0,2,0,0,0,0|2,0,0]=4 16781 B17R2.5274 Nc1cccc(c1Cl)OCc2cnccn2 34a_100012002038_100016995436 [0,2,0,0,0,0|2,0,0]=4 16782 B17R2.5274 Nc1cccc(c1Cl)OCc2cnccn2 7a_100012002038_100016995436 [0,2,0,0,0,0|2,0,0]=4 16783 B17R2.5274 Nc1cccc(c1Cl)OCc2cncnc2 34a_100012002038_100015196519 [0,2,0,0,0,0|2,0,0]=4 16784 B17R2.5274 Nc1cccc(c1Cl)OCc2cncnc2 7a_100012002038_100015196519 [0,2,0,0,0,0|2,0,0]=4 16785 B17R2.5274 Nc1cccc(c1F)C=Cc2cccnc2 271570a_100102525586_100011935091 [0,2,0,0,0,0|1,0,1]=4 16786 B17R2.5274 Nc1cccc(c1F)SCc2ccccc2 62a_100000211182_100011935091 [0,2,0,0,0,0|2,0,0]=4 16787 B17R2.5274 Nc1cccc(c1F)SCc2ccccc2 62a_100011935091_100015291786 [0,2,0,0,0,0|2,0,0]=4 16788 B17R2.5274 Nc1cccc(c1F)SCc2cccnc2 62a_100000741622_100011935091 [0,2,0,0,0,0|1,0,0]=3 16789 B17R2.5274 Nc1cccc(c1F)SCc2cccnc2 62a_100011935091_100000741622 [0,2,0,0,0,0|1,0,0]=3 16790 B17R2.5274 Nc1cccc(c1F)SCc2cccnn2 62a_100011935091_100016990269 [0,2,0,0,0,0|2,0,0]=4 16791 B17R2.5274 Nc1cccc(c1F)SCc2cccnn2 62a_100016990269_100011935091 [0,2,0,0,0,0|2,0,0]=4 16792 B17R2.5274 Nc1cccc(c1F)SCc2cnccn2 62a_100011935091_100016995436 [0,2,0,0,0,0|2,0,0]=4 16793 B17R2.5274 Nc1cccc(c1F)SCc2cnccn2 62a_100016995436_100011935091 [0,2,0,0,0,0|2,0,0]=4 16794 B17R2.5274 Nc1cccc(c1F)SCc2cncnc2 62a_100011935091_100015196519 [0,2,0,0,0,0|2,0,0]=4 16795 B17R2.5274 Nc1cccc(c1F)SCc2cncnc2 62a_100015196519_100011935091 [0,2,0,0,0,0|2,0,0]=4 16796 B17R2.5274 Nc1cccc(c1N)C=Cc2cccnc2 271570a_100102525586_100015191791 [0,2,0,0,0,0|1,0,1]=4 16797 B17R2.5274 Nc1cccc(c1N)OCc2ccccc2 34a_100000033209_100015291786 [0,2,0,0,0,0|2,0,0]=4 16798 B17R2.5274 Nc1cccc(c1N)OCc2cccnc2 34a_100000033209_100000733263 [0,2,0,0,0,0|1,0,0]=3 16799 B17R2.5274 Nc1cccc(c1N)OCc2cccnn2 34a_100000033209_100016990269 [0,2,0,0,0,0|2,0,0]=4 16800 B17R2.5274 Nc1cccc(c1N)OCc2cnccn2 34a_100000033209_100016995436 [0,2,0,0,0,0|2,0,0]=4 16801 B17R2.5274 Nc1cccc(c1N)OCc2cncnc2 34a_100000033209_100015196519 [0,2,0,0,0,0|2,0,0]=4 16802 B17R2.5274 Nc1cccc(c1N)SCc2ccccc2 62a_100015191791_100015291786 [0,2,0,0,0,0|2,0,0]=4 16803 B17R2.5274 Nc1cccc(c1N)SCc2cccnc2 62a_100015191791_100000741622 [0,2,0,0,0,0|1,0,0]=3 16804 B17R2.5274 Nc1cccc(c1N)SCc2cccnn2 62a_100015191791_100016990269 [0,2,0,0,0,0|2,0,0]=4 16805 B17R2.5274 Nc1cccc(c1N)SCc2cnccn2 62a_100015191791_100016995436 [0,2,0,0,0,0|2,0,0]=4 16806 B17R2.5274 Nc1cccc(c1N)SCc2cncnc2 62a_100015191791_100015196519 [0,2,0,0,0,0|2,0,0]=4 16807 B17R2.5274 Nc1cccc(c1O)C=Cc2cccnc2 271570a_100102525586_100011934915 [0,2,0,0,0,0|1,0,1]=4 16808 B17R2.5274 Nc1cccc(c1O)SCc2ccccc2 62a_100000211182_100010084371 [0,2,0,0,0,0|2,0,0]=4 16809 B17R2.5274 Nc1cccc(c1O)SCc2ccccc2 62a_100011934915_100015291786 [0,2,0,0,0,0|2,0,0]=4 16810 B17R2.5274 Nc1cccc(c1O)SCc2cccnc2 62a_100000741622_100010084371 [0,2,0,0,0,0|1,0,0]=3 16811 B17R2.5274 Nc1cccc(c1O)SCc2cccnc2 62a_100011934915_100000741622 [0,2,0,0,0,0|1,0,0]=3 16812 B17R2.5274 Nc1cccc(c1O)SCc2cccnn2 62a_100011934915_100016990269 [0,2,0,0,0,0|2,0,0]=4 16813 B17R2.5274 Nc1cccc(c1O)SCc2cccnn2 62a_100016990269_100010084371 [0,2,0,0,0,0|2,0,0]=4 16814 B17R2.5274 Nc1cccc(c1O)SCc2cnccn2 62a_100011934915_100016995436 [0,2,0,0,0,0|2,0,0]=4 16815 B17R2.5274 Nc1cccc(c1O)SCc2cnccn2 62a_100016995436_100010084371 [0,2,0,0,0,0|2,0,0]=4 16816 B17R2.5274 Nc1cccc(c1O)SCc2cncnc2 62a_100011934915_100015196519 [0,2,0,0,0,0|2,0,0]=4 16817 B17R2.5274 Nc1cccc(c1O)SCc2cncnc2 62a_100015196519_100010084371 [0,2,0,0,0,0|2,0,0]=4 16818 B17R2.5274 Nc1ccnc(c1Cl)OCc2cccnc2 34a_200000093555_100000733263 [0,2,0,0,0,0|2,0,0]=4 16819 B17R2.5274 Nc1ccnc(c1F)SCc2cccnc2 62a_100000741622_100015205195 [0,2,0,0,0,0|2,0,0]=4 16820 B17R2.5274 Nc1ccnc(c1F)SCc2cccnc2 62a_100015205195_100000741622 [0,2,0,0,0,0|2,0,0]=4 16821 B17R2.5274 Nc1ccnc(c1N)SCc2cccnc2 62a_100000085203_100000741622 [0,2,0,0,0,0|2,0,0]=4 16822 B17R2.5274 Nc1ccnc(c1N)SCc2cccnc2 62a_100000741622_100000085203 [0,2,0,0,0,0|2,0,0]=4 16823 B17R2.5274 Nc1ccnc(c1O)SCc2cccnc2 62a_100000741622_100009844647 [0,2,0,0,0,0|2,0,0]=4 16824 B17R2.5274 Nc1cncc(c1N)C#Cc2ccccc2 271570a_100000069678_100000694774 [0,2,0,0,0,0|1,0,1]=4 16825 B17R2.5274 Nc1cncc(c1N)C=Cc2ccccc2 271570a_100102527694_100000694774 [0,2,0,0,0,0|1,0,1]=4 16826 B17R2.5274 Nc1cncc(c1N)SCc2ccccc2 62a_100000211182_100000694774 [0,2,0,0,0,0|2,0,0]=4 16827 B17R2.5274 Nc1cncc(c1N)SCc2ccccc2 62a_100000694774_100015291786 [0,2,0,0,0,0|2,0,0]=4 16828 B17R2.5274 Nc1cncc(c1N)SCc2cccnc2 62a_100000694774_100000741622 [0,2,0,0,0,0|2,0,0]=4 16829 B17R2.5274 Nc1cncc(c1N)SCc2cccnc2 62a_100000741622_100000694774 [0,2,0,0,0,0|2,0,0]=4 16830 B17R2.5274 Nc1cncc(c1O)SCc2ccccc2 62a_100000211182_100000694263 [0,2,0,0,0,0|2,0,0]=4 16831 B17R2.5274 Nc1cncc(c1O)SCc2ccccc2 62a_100000694263_100015291786 [0,2,0,0,0,0|2,0,0]=4 16832 B17R2.5274 Nc1cncc(c1O)SCc2cccnc2 62a_100000694263_100000741622 [0,2,0,0,0,0|2,0,0]=4 16833 B17R2.5274 Nc1cncc(c1O)SCc2cccnc2 62a_100000741622_100000694263 [0,2,0,0,0,0|2,0,0]=4 16834 B17R2.5274 Nc1nccc(c1Cl)SCc2cccnc2 62a_100000741622_100010735111 [0,2,0,0,0,0|2,0,0]=4 16835 B17R2.5274 Nc1nccc(c1Cl)SCc2cccnc2 62a_100010735111_100000741622 [0,2,0,0,0,0|2,0,0]=4 16836 B17R2.5274 Nc1nccc(c1F)SCc2cccnc2 62a_100000741622_100010077785 [0,2,0,0,0,0|2,0,0]=4 16837 B17R2.5274 Nc1nccc(c1F)SCc2cccnc2 62a_100010077785_100000741622 [0,2,0,0,0,0|2,0,0]=4 16838 B17R2.5274 Nc1nccc(c1N)SCc2cccnc2 62a_100000124095_100000741622 [0,2,0,0,0,0|2,0,0]=4 16839 B17R2.5274 Nc1ncnc(c1F)NCc2cccnc2 27a_100000210453_100000126652 [0,2,0,0,0,0|2,0,0]=4 16840 B17R2.5274 Oc1c(cccc1C=Cc2cccnc2)Br 271570a_100102525586_100010084509 [0,2,0,0,0,0|1,0,1]=4 16841 B17R2.5274 Oc1c(cccc1C=Cc2cccnc2)Cl 271570a_100102525586_100010202889 [0,2,0,0,0,0|1,0,1]=4 16842 B17R2.5274 Oc1c(cccc1C=Cc2cccnc2)F 271570a_100102525586_100009813666 [0,2,0,0,0,0|1,0,1]=4 16843 B17R2.5274 Oc1c(cccc1CNc2ccccc2)F 270302a_100000106764_100000745301 [0,2,0,0,0,0|1,0,0]=3 16844 B17R2.5274 Oc1c(cccc1NCc2ccccc2)Br 34a_100011934915_100015291786 [0,2,0,0,0,0|1,0,0]=3 16845 B17R2.5274 Oc1c(cccc1NCc2ccccc2)Cl 270302a_100000754742_100015611070 [0,2,0,0,0,0|1,0,0]=3 16846 B17R2.5274 Oc1c(cccc1NCc2ccccc2)Cl 34a_100000754742_100015291786 [0,2,0,0,0,0|1,0,0]=3 16847 B17R2.5274 Oc1c(cccc1NCc2ccccc2)F 270302a_100011934987_100015611070 [0,2,0,0,0,0|1,0,0]=3 16848 B17R2.5274 Oc1c(cccc1NCc2ccccc2)F 34a_100011934987_100015291786 [0,2,0,0,0,0|1,0,0]=3 16849 B17R2.5274 Oc1c(cccc1NCc2ccccn2)Br 34a_100011934915_100000721315 [0,2,0,0,0,0|2,0,0]=4 16850 B17R2.5274 Oc1c(cccc1NCc2ccccn2)Cl 270302a_100000754742_100000209966 [0,2,0,0,0,0|2,0,0]=4 16851 B17R2.5274 Oc1c(cccc1NCc2ccccn2)Cl 34a_100000754742_100000721315 [0,2,0,0,0,0|2,0,0]=4 16852 B17R2.5274 Oc1c(cccc1NCc2ccccn2)F 270302a_100011934987_100000209966 [0,2,0,0,0,0|2,0,0]=4 16853 B17R2.5274 Oc1c(cccc1NCc2ccccn2)F 34a_100011934987_100000721315 [0,2,0,0,0,0|2,0,0]=4 16854 B17R2.5274 Oc1c(cccc1NCc2cccnc2)Br 34a_100011934915_100000733263 [0,2,0,0,0,0|0,0,0]=2 16855 B17R2.5274 Oc1c(cccc1NCc2cccnc2)Cl 270302a_100000754742_100000209961 [0,2,0,0,0,0|0,0,0]=2 16856 B17R2.5274 Oc1c(cccc1NCc2cccnc2)Cl 34a_100000754742_100000733263 [0,2,0,0,0,0|0,0,0]=2 16857 B17R2.5274 Oc1c(cccc1NCc2cccnc2)F 270302a_100011934987_100000209961 [0,2,0,0,0,0|0,0,0]=2 16858 B17R2.5274 Oc1c(cccc1NCc2cccnc2)F 34a_100011934987_100000733263 [0,2,0,0,0,0|0,0,0]=2 16859 B17R2.5274 Oc1c(cccc1NCc2cccnn2)Br 34a_100011934915_100016990269 [0,2,0,0,0,0|1,0,0]=3 16860 B17R2.5274 Oc1c(cccc1NCc2cccnn2)Cl 34a_100000754742_100016990269 [0,2,0,0,0,0|1,0,0]=3 16861 B17R2.5274 Oc1c(cccc1NCc2cccnn2)F 34a_100011934987_100016990269 [0,2,0,0,0,0|1,0,0]=3 16862 B17R2.5274 Oc1c(cccc1NCc2ccnnc2)Cl 270302a_100000754742_100011934578 [0,2,0,0,0,0|1,0,0]=3 16863 B17R2.5274 Oc1c(cccc1NCc2ccnnc2)F 270302a_100011934987_100011934578 [0,2,0,0,0,0|1,0,0]=3 16864 B17R2.5274 Oc1c(cccc1NCc2cnccn2)Br 34a_100011934915_100016995436 [0,2,0,0,0,0|1,0,0]=3 16865 B17R2.5274 Oc1c(cccc1NCc2cnccn2)Cl 34a_100000754742_100016995436 [0,2,0,0,0,0|1,0,0]=3 16866 B17R2.5274 Oc1c(cccc1NCc2cnccn2)F 34a_100011934987_100016995436 [0,2,0,0,0,0|1,0,0]=3 16867 B17R2.5274 Oc1c(cccc1NCc2cncnc2)Br 34a_100011934915_100015196519 [0,2,0,0,0,0|1,0,0]=3 16868 B17R2.5274 Oc1c(cccc1NCc2cncnc2)Cl 270302a_100000754742_100000749868 [0,2,0,0,0,0|1,0,0]=3 16869 B17R2.5274 Oc1c(cccc1NCc2cncnc2)Cl 34a_100000754742_100015196519 [0,2,0,0,0,0|1,0,0]=3 16870 B17R2.5274 Oc1c(cccc1NCc2cncnc2)F 270302a_100011934987_100000749868 [0,2,0,0,0,0|1,0,0]=3 16871 B17R2.5274 Oc1c(cccc1NCc2cncnc2)F 34a_100011934987_100015196519 [0,2,0,0,0,0|1,0,0]=3 16872 B17R2.5274 Oc1c(cccc1SCc2ccccc2)Br 62a_100000211182_100010084509 [0,2,0,0,0,0|2,0,0]=4 16873 B17R2.5274 Oc1c(cccc1SCc2ccccc2)Br 62a_100010084509_100015291786 [0,2,0,0,0,0|2,0,0]=4 16874 B17R2.5274 Oc1c(cccc1SCc2ccccc2)Cl 62a_100000211182_100010202889 [0,2,0,0,0,0|2,0,0]=4 16875 B17R2.5274 Oc1c(cccc1SCc2ccccc2)Cl 62a_100010202889_100015291786 [0,2,0,0,0,0|2,0,0]=4 16876 B17R2.5274 Oc1c(cccc1SCc2ccccc2)F 62a_100000211182_100009813666 [0,2,0,0,0,0|2,0,0]=4 16877 B17R2.5274 Oc1c(cccc1SCc2ccccc2)F 62a_100009813666_100015291786 [0,2,0,0,0,0|2,0,0]=4 16878 B17R2.5274 Oc1c(cccc1SCc2cccnc2)Br 62a_100000741622_100010084509 [0,2,0,0,0,0|1,0,0]=3 16879 B17R2.5274 Oc1c(cccc1SCc2cccnc2)Br 62a_100010084509_100000741622 [0,2,0,0,0,0|1,0,0]=3 16880 B17R2.5274 Oc1c(cccc1SCc2cccnc2)Cl 62a_100000741622_100010202889 [0,2,0,0,0,0|1,0,0]=3 16881 B17R2.5274 Oc1c(cccc1SCc2cccnc2)Cl 62a_100010202889_100000741622 [0,2,0,0,0,0|1,0,0]=3 16882 B17R2.5274 Oc1c(cccc1SCc2cccnc2)F 62a_100000741622_100009813666 [0,2,0,0,0,0|1,0,0]=3 16883 B17R2.5274 Oc1c(cccc1SCc2cccnc2)F 62a_100009813666_100000741622 [0,2,0,0,0,0|1,0,0]=3 16884 B17R2.5274 Oc1c(cccc1SCc2cccnn2)Br 62a_100010084509_100016990269 [0,2,0,0,0,0|2,0,0]=4 16885 B17R2.5274 Oc1c(cccc1SCc2cccnn2)Br 62a_100016990269_100010084509 [0,2,0,0,0,0|2,0,0]=4 16886 B17R2.5274 Oc1c(cccc1SCc2cccnn2)Cl 62a_100010202889_100016990269 [0,2,0,0,0,0|2,0,0]=4 16887 B17R2.5274 Oc1c(cccc1SCc2cccnn2)Cl 62a_100016990269_100010202889 [0,2,0,0,0,0|2,0,0]=4 16888 B17R2.5274 Oc1c(cccc1SCc2cccnn2)F 62a_100009813666_100016990269 [0,2,0,0,0,0|2,0,0]=4 16889 B17R2.5274 Oc1c(cccc1SCc2cccnn2)F 62a_100016990269_100009813666 [0,2,0,0,0,0|2,0,0]=4 16890 B17R2.5274 Oc1c(cccc1SCc2cnccn2)Br 62a_100010084509_100016995436 [0,2,0,0,0,0|2,0,0]=4 16891 B17R2.5274 Oc1c(cccc1SCc2cnccn2)Br 62a_100016995436_100010084509 [0,2,0,0,0,0|2,0,0]=4 16892 B17R2.5274 Oc1c(cccc1SCc2cnccn2)Cl 62a_100010202889_100016995436 [0,2,0,0,0,0|2,0,0]=4 16893 B17R2.5274 Oc1c(cccc1SCc2cnccn2)Cl 62a_100016995436_100010202889 [0,2,0,0,0,0|2,0,0]=4 16894 B17R2.5274 Oc1c(cccc1SCc2cnccn2)F 62a_100009813666_100016995436 [0,2,0,0,0,0|2,0,0]=4 16895 B17R2.5274 Oc1c(cccc1SCc2cnccn2)F 62a_100016995436_100009813666 [0,2,0,0,0,0|2,0,0]=4 16896 B17R2.5274 Oc1c(cccc1SCc2cncnc2)Br 62a_100010084509_100015196519 [0,2,0,0,0,0|2,0,0]=4 16897 B17R2.5274 Oc1c(cccc1SCc2cncnc2)Br 62a_100015196519_100010084509 [0,2,0,0,0,0|2,0,0]=4 16898 B17R2.5274 Oc1c(cccc1SCc2cncnc2)Cl 62a_100010202889_100015196519 [0,2,0,0,0,0|2,0,0]=4 16899 B17R2.5274 Oc1c(cccc1SCc2cncnc2)Cl 62a_100015196519_100010202889 [0,2,0,0,0,0|2,0,0]=4 16900 B17R2.5274 Oc1c(cccc1SCc2cncnc2)F 62a_100009813666_100015196519 [0,2,0,0,0,0|2,0,0]=4 16901 B17R2.5274 Oc1c(cccc1SCc2cncnc2)F 62a_100015196519_100009813666 [0,2,0,0,0,0|2,0,0]=4 16902 B17R2.5274 Oc1c(ccnc1Cl)SCc2cccnc2 62a_100000741622_100010067911 [0,2,0,0,0,0|2,0,0]=4 16903 B17R2.5274 Oc1c(ccnc1SCc2cccnc2)F 62a_100000741622_100009867227 [0,2,0,0,0,0|2,0,0]=4 16904 B17R2.5274 Oc1c(cncc1CNc2ccccc2)Br 270302a_100000106764_100010729654 [0,2,0,0,0,0|0,0,0]=2 16905 B17R2.5274 Oc1cccc(c1Br)C=Cc2cccnc2 271570a_100102525586_100010187914 [0,2,0,0,0,0|1,0,1]=4 16906 B17R2.5274 Oc1cccc(c1Br)NCc2ccccc2 34a_100012183704_100015291786 [0,2,0,0,0,0|1,0,0]=3 16907 B17R2.5274 Oc1cccc(c1Br)NCc2ccccc2 7a_100012183704_100000211182 [0,2,0,0,0,0|1,0,0]=3 16908 B17R2.5274 Oc1cccc(c1Br)NCc2ccccn2 34a_100012183704_100000721315 [0,2,0,0,0,0|2,0,0]=4 16909 B17R2.5274 Oc1cccc(c1Br)NCc2ccccn2 7a_100012183704_100000721315 [0,2,0,0,0,0|2,0,0]=4 16910 B17R2.5274 Oc1cccc(c1Br)NCc2cccnc2 34a_100012183704_100000733263 [0,2,0,0,0,0|0,0,0]=2 16911 B17R2.5274 Oc1cccc(c1Br)NCc2cccnc2 7a_100012183704_100000741622 [0,2,0,0,0,0|0,0,0]=2 16912 B17R2.5274 Oc1cccc(c1Br)NCc2cccnn2 34a_100012183704_100016990269 [0,2,0,0,0,0|1,0,0]=3 16913 B17R2.5274 Oc1cccc(c1Br)NCc2cccnn2 7a_100012183704_100016990269 [0,2,0,0,0,0|1,0,0]=3 16914 B17R2.5274 Oc1cccc(c1Br)NCc2ccncc2 7a_100012183704_100015193705 [0,2,0,0,0,0|2,0,0]=4 16915 B17R2.5274 Oc1cccc(c1Br)NCc2cnccn2 34a_100012183704_100016995436 [0,2,0,0,0,0|1,0,0]=3 16916 B17R2.5274 Oc1cccc(c1Br)NCc2cnccn2 7a_100012183704_100016995436 [0,2,0,0,0,0|1,0,0]=3 16917 B17R2.5274 Oc1cccc(c1Br)NCc2cncnc2 34a_100012183704_100015196519 [0,2,0,0,0,0|1,0,0]=3 16918 B17R2.5274 Oc1cccc(c1Br)NCc2cncnc2 7a_100012183704_100015196519 [0,2,0,0,0,0|1,0,0]=3 16919 B17R2.5274 Oc1cccc(c1Br)SCc2ccccc2 62a_100000211182_100010187914 [0,2,0,0,0,0|2,0,0]=4 16920 B17R2.5274 Oc1cccc(c1Br)SCc2ccccc2 62a_100010187914_100015291786 [0,2,0,0,0,0|2,0,0]=4 16921 B17R2.5274 Oc1cccc(c1Br)SCc2cccnc2 62a_100000741622_100010187914 [0,2,0,0,0,0|1,0,0]=3 16922 B17R2.5274 Oc1cccc(c1Br)SCc2cccnc2 62a_100010187914_100000741622 [0,2,0,0,0,0|1,0,0]=3 16923 B17R2.5274 Oc1cccc(c1Br)SCc2cccnn2 62a_100010187914_100016990269 [0,2,0,0,0,0|2,0,0]=4 16924 B17R2.5274 Oc1cccc(c1Br)SCc2cccnn2 62a_100016990269_100010187914 [0,2,0,0,0,0|2,0,0]=4 16925 B17R2.5274 Oc1cccc(c1Br)SCc2cnccn2 62a_100010187914_100016995436 [0,2,0,0,0,0|2,0,0]=4 16926 B17R2.5274 Oc1cccc(c1Br)SCc2cnccn2 62a_100016995436_100010187914 [0,2,0,0,0,0|2,0,0]=4 16927 B17R2.5274 Oc1cccc(c1Br)SCc2cncnc2 62a_100010187914_100015196519 [0,2,0,0,0,0|2,0,0]=4 16928 B17R2.5274 Oc1cccc(c1Br)SCc2cncnc2 62a_100015196519_100010187914 [0,2,0,0,0,0|2,0,0]=4 16929 B17R2.5274 Oc1cccc(c1Cl)C=Cc2cccnc2 271570a_100102525586_100000049636 [0,2,0,0,0,0|1,0,1]=4 16930 B17R2.5274 Oc1cccc(c1Cl)NCc2ccccc2 34a_100012002038_100015291786 [0,2,0,0,0,0|1,0,0]=3 16931 B17R2.5274 Oc1cccc(c1Cl)NCc2ccccc2 7a_100012002038_100000211182 [0,2,0,0,0,0|1,0,0]=3 16932 B17R2.5274 Oc1cccc(c1Cl)NCc2ccccn2 34a_100012002038_100000721315 [0,2,0,0,0,0|2,0,0]=4 16933 B17R2.5274 Oc1cccc(c1Cl)NCc2ccccn2 7a_100012002038_100000721315 [0,2,0,0,0,0|2,0,0]=4 16934 B17R2.5274 Oc1cccc(c1Cl)NCc2cccnc2 34a_100012002038_100000733263 [0,2,0,0,0,0|0,0,0]=2 16935 B17R2.5274 Oc1cccc(c1Cl)NCc2cccnc2 7a_100012002038_100000741622 [0,2,0,0,0,0|0,0,0]=2 16936 B17R2.5274 Oc1cccc(c1Cl)NCc2cccnn2 34a_100012002038_100016990269 [0,2,0,0,0,0|1,0,0]=3 16937 B17R2.5274 Oc1cccc(c1Cl)NCc2cccnn2 7a_100012002038_100016990269 [0,2,0,0,0,0|1,0,0]=3 16938 B17R2.5274 Oc1cccc(c1Cl)NCc2ccncc2 7a_100012002038_100015193705 [0,2,0,0,0,0|2,0,0]=4 16939 B17R2.5274 Oc1cccc(c1Cl)NCc2cnccn2 34a_100012002038_100016995436 [0,2,0,0,0,0|1,0,0]=3 16940 B17R2.5274 Oc1cccc(c1Cl)NCc2cnccn2 7a_100012002038_100016995436 [0,2,0,0,0,0|1,0,0]=3 16941 B17R2.5274 Oc1cccc(c1Cl)NCc2cncnc2 34a_100012002038_100015196519 [0,2,0,0,0,0|1,0,0]=3 16942 B17R2.5274 Oc1cccc(c1Cl)NCc2cncnc2 7a_100012002038_100015196519 [0,2,0,0,0,0|1,0,0]=3 16943 B17R2.5274 Oc1cccc(c1Cl)SCc2ccccc2 62a_100000211182_100000049636 [0,2,0,0,0,0|2,0,0]=4 16944 B17R2.5274 Oc1cccc(c1Cl)SCc2cccnc2 62a_100000741622_100000049636 [0,2,0,0,0,0|1,0,0]=3 16945 B17R2.5274 Oc1cccc(c1Cl)SCc2cccnn2 62a_100016990269_100000049636 [0,2,0,0,0,0|2,0,0]=4 16946 B17R2.5274 Oc1cccc(c1Cl)SCc2cnccn2 62a_100016995436_100000049636 [0,2,0,0,0,0|2,0,0]=4 16947 B17R2.5274 Oc1cccc(c1Cl)SCc2cncnc2 62a_100015196519_100000049636 [0,2,0,0,0,0|2,0,0]=4 16948 B17R2.5274 Oc1cccc(c1F)C=Cc2cccnc2 271570a_100102525586_100009817021 [0,2,0,0,0,0|1,0,1]=4 16949 B17R2.5274 Oc1cccc(c1F)SCc2ccccc2 62a_100000211182_100009817021 [0,2,0,0,0,0|2,0,0]=4 16950 B17R2.5274 Oc1cccc(c1F)SCc2ccccc2 62a_100009817021_100015291786 [0,2,0,0,0,0|2,0,0]=4 16951 B17R2.5274 Oc1cccc(c1F)SCc2cccnc2 62a_100000741622_100009817021 [0,2,0,0,0,0|1,0,0]=3 16952 B17R2.5274 Oc1cccc(c1F)SCc2cccnc2 62a_100009817021_100000741622 [0,2,0,0,0,0|1,0,0]=3 16953 B17R2.5274 Oc1cccc(c1F)SCc2cccnn2 62a_100009817021_100016990269 [0,2,0,0,0,0|2,0,0]=4 16954 B17R2.5274 Oc1cccc(c1F)SCc2cccnn2 62a_100016990269_100009817021 [0,2,0,0,0,0|2,0,0]=4 16955 B17R2.5274 Oc1cccc(c1F)SCc2cnccn2 62a_100009817021_100016995436 [0,2,0,0,0,0|2,0,0]=4 16956 B17R2.5274 Oc1cccc(c1F)SCc2cnccn2 62a_100016995436_100009817021 [0,2,0,0,0,0|2,0,0]=4 16957 B17R2.5274 Oc1cccc(c1F)SCc2cncnc2 62a_100009817021_100015196519 [0,2,0,0,0,0|2,0,0]=4 16958 B17R2.5274 Oc1cccc(c1F)SCc2cncnc2 62a_100015196519_100009817021 [0,2,0,0,0,0|2,0,0]=4 16959 B17R2.5274 Oc1cccc(c1O)C=Cc2cccnc2 271570a_100102525586_100009815950 [0,2,0,0,0,0|1,0,1]=4 16960 B17R2.5274 Oc1cccc(c1O)SCc2ccccc2 62a_100000211182_100009815950 [0,2,0,0,0,0|2,0,0]=4 16961 B17R2.5274 Oc1cccc(c1O)SCc2cccnc2 62a_100000741622_100009815950 [0,2,0,0,0,0|1,0,0]=3 16962 B17R2.5274 Oc1cccc(c1O)SCc2cccnn2 62a_100016990269_100009815950 [0,2,0,0,0,0|2,0,0]=4 16963 B17R2.5274 Oc1cccc(c1O)SCc2cnccn2 62a_100016995436_100009815950 [0,2,0,0,0,0|2,0,0]=4 16964 B17R2.5274 Oc1cccc(c1O)SCc2cncnc2 62a_100015196519_100009815950 [0,2,0,0,0,0|2,0,0]=4 16965 B17R2.5274 Oc1ccnc(c1F)SCc2cccnc2 62a_100000741622_100009876375 [0,2,0,0,0,0|2,0,0]=4 16966 B17R2.5274 Oc1ccnc(c1F)SCc2cccnc2 62a_100009876375_100000741622 [0,2,0,0,0,0|2,0,0]=4 16967 B17R2.5360 Brc1cc(ccc1CNc2ccccc2)I 207a_100000106764_100010185650 [0,2,0,0,0,0|1,0,0]=3 16968 B17R2.5360 Brc1cc(ccc1CNc2ccccc2)I 34a_100000106764_100010146610 [0,2,0,0,0,0|1,0,0]=3 16969 B17R2.5360 Brc1cc(ccc1COc2ccccc2)I 34a_100000210340_100010146610 [0,2,0,0,0,0|2,0,0]=4 16970 B17R2.5360 Brc1cc(ccc1COc2ccccc2)I 7a_100000210340_100010146610 [0,2,0,0,0,0|2,0,0]=4 16971 B17R2.5360 Brc1cc(ccc1COc2cccnc2)I 34a_100000210849_100010146610 [0,2,0,0,0,0|2,0,0]=4 16972 B17R2.5360 Brc1cc(ccc1COc2cccnc2)I 7a_100000210849_100010146610 [0,2,0,0,0,0|2,0,0]=4 16973 B17R2.5360 Brc1cc(ccc1CSc2ccccc2)I 62a_100000719477_100010146610 [0,2,0,0,0,0|2,0,0]=4 16974 B17R2.5360 Brc1cc(ccc1CSc2ccccc2)I 62a_100010146610_100000041952 [0,2,0,0,0,0|2,0,0]=4 16975 B17R2.5360 Brc1cc(ccc1CSc2cccnc2)I 62a_100000210063_100010146610 [0,2,0,0,0,0|2,0,0]=4 16976 B17R2.5360 Brc1cc(ccc1CSc2cccnc2)I 62a_100010146610_100000210063 [0,2,0,0,0,0|2,0,0]=4 16977 B17R2.5360 Brc1cc(ccc1OCc2ccccc2)I 34a_100012361655_100015291786 [0,2,0,0,0,0|2,0,0]=4 16978 B17R2.5360 Brc1cc(ccc1OCc2ccccc2)I 7a_100012361655_100000211182 [0,2,0,0,0,0|2,0,0]=4 16979 B17R2.5360 Brc1cc(ccc1OCc2cccnc2)I 34a_100012361655_100000733263 [0,2,0,0,0,0|1,0,0]=3 16980 B17R2.5360 Brc1cc(ccc1OCc2cccnc2)I 7a_100012361655_100000741622 [0,2,0,0,0,0|1,0,0]=3 16981 B17R2.5360 Brc1cc(ccc1OCc2cccnn2)I 34a_100012361655_100016990269 [0,2,0,0,0,0|2,0,0]=4 16982 B17R2.5360 Brc1cc(ccc1OCc2cccnn2)I 7a_100012361655_100016990269 [0,2,0,0,0,0|2,0,0]=4 16983 B17R2.5360 Brc1cc(ccc1OCc2cnccn2)I 34a_100012361655_100016995436 [0,2,0,0,0,0|2,0,0]=4 16984 B17R2.5360 Brc1cc(ccc1OCc2cnccn2)I 7a_100012361655_100016995436 [0,2,0,0,0,0|2,0,0]=4 16985 B17R2.5360 Brc1cc(ccc1OCc2cncnc2)I 34a_100012361655_100015196519 [0,2,0,0,0,0|2,0,0]=4 16986 B17R2.5360 Brc1cc(ccc1OCc2cncnc2)I 7a_100012361655_100015196519 [0,2,0,0,0,0|2,0,0]=4 16987 B17R2.5360 Brc1ccc(c(c1)Br)C=Cc2cccnc2 271570a_100102525586_100011484698 [0,2,0,0,0,0|1,0,1]=4 16988 B17R2.5360 Brc1ccc(c(c1)Br)CNc2ccccc2 207a_100000106764_100012351556 [0,2,0,0,0,0|1,0,0]=3 16989 B17R2.5360 Brc1ccc(c(c1)Br)CNc2ccccc2 270302a_100000106764_100012351556 [0,2,0,0,0,0|1,0,0]=3 16990 B17R2.5360 Brc1ccc(c(c1)Br)CNc2ccccc2 34a_100000106764_200012351560 [0,2,0,0,0,0|1,0,0]=3 16991 B17R2.5360 Brc1ccc(c(c1)Br)COc2ccccc2 34a_100000210340_200012351560 [0,2,0,0,0,0|2,0,0]=4 16992 B17R2.5360 Brc1ccc(c(c1)Br)COc2ccccc2 7a_100000210340_200012351560 [0,2,0,0,0,0|2,0,0]=4 16993 B17R2.5360 Brc1ccc(c(c1)Br)COc2cccnc2 34a_100000210849_200012351560 [0,2,0,0,0,0|2,0,0]=4 16994 B17R2.5360 Brc1ccc(c(c1)Br)COc2cccnc2 7a_100000210849_200012351560 [0,2,0,0,0,0|2,0,0]=4 16995 B17R2.5360 Brc1ccc(c(c1)Br)CSc2ccccc2 62a_100000719477_200012351560 [0,2,0,0,0,0|2,0,0]=4 16996 B17R2.5360 Brc1ccc(c(c1)Br)CSc2ccccc2 62a_200012351560_100000041952 [0,2,0,0,0,0|2,0,0]=4 16997 B17R2.5360 Brc1ccc(c(c1)Br)CSc2cccnc2 62a_100000210063_200012351560 [0,2,0,0,0,0|2,0,0]=4 16998 B17R2.5360 Brc1ccc(c(c1)Br)CSc2cccnc2 62a_200012351560_100000210063 [0,2,0,0,0,0|2,0,0]=4 16999 B17R2.5360 Brc1ccc(c(c1)Br)NCc2ccccc2 270302a_100000211012_100015611070 [0,2,0,0,0,0|1,0,0]=3 17000 B17R2.5360 Brc1ccc(c(c1)Br)NCc2ccccc2 34a_100000211012_100015291786 [0,2,0,0,0,0|1,0,0]=3 17001 B17R2.5360 Brc1ccc(c(c1)Br)NCc2ccccn2 270302a_100000211012_100000209966 [0,2,0,0,0,0|2,0,0]=4 17002 B17R2.5360 Brc1ccc(c(c1)Br)NCc2ccccn2 34a_100000211012_100000721315 [0,2,0,0,0,0|2,0,0]=4 17003 B17R2.5360 Brc1ccc(c(c1)Br)NCc2cccnc2 270302a_100000211012_100000209961 [0,2,0,0,0,0|0,0,0]=2 17004 B17R2.5360 Brc1ccc(c(c1)Br)NCc2cccnc2 34a_100000211012_100000733263 [0,2,0,0,0,0|0,0,0]=2 17005 B17R2.5360 Brc1ccc(c(c1)Br)NCc2cccnn2 34a_100000211012_100016990269 [0,2,0,0,0,0|1,0,0]=3 17006 B17R2.5360 Brc1ccc(c(c1)Br)NCc2ccnnc2 270302a_100000211012_100011934578 [0,2,0,0,0,0|1,0,0]=3 17007 B17R2.5360 Brc1ccc(c(c1)Br)NCc2cnccn2 34a_100000211012_100016995436 [0,2,0,0,0,0|1,0,0]=3 17008 B17R2.5360 Brc1ccc(c(c1)Br)NCc2cncnc2 270302a_100000211012_100000749868 [0,2,0,0,0,0|1,0,0]=3 17009 B17R2.5360 Brc1ccc(c(c1)Br)NCc2cncnc2 34a_100000211012_100015196519 [0,2,0,0,0,0|1,0,0]=3 17010 B17R2.5360 Brc1ccc(c(c1)Br)OCc2ccccc2 34a_100000188717_100015291786 [0,2,0,0,0,0|2,0,0]=4 17011 B17R2.5360 Brc1ccc(c(c1)Br)OCc2ccccc2 7a_100000188717_100000211182 [0,2,0,0,0,0|2,0,0]=4 17012 B17R2.5360 Brc1ccc(c(c1)Br)OCc2cccnc2 34a_100000188717_100000733263 [0,2,0,0,0,0|1,0,0]=3 17013 B17R2.5360 Brc1ccc(c(c1)Br)OCc2cccnc2 7a_100000188717_100000741622 [0,2,0,0,0,0|1,0,0]=3 17014 B17R2.5360 Brc1ccc(c(c1)Br)OCc2cccnn2 34a_100000188717_100016990269 [0,2,0,0,0,0|2,0,0]=4 17015 B17R2.5360 Brc1ccc(c(c1)Br)OCc2cccnn2 7a_100000188717_100016990269 [0,2,0,0,0,0|2,0,0]=4 17016 B17R2.5360 Brc1ccc(c(c1)Br)OCc2cnccn2 34a_100000188717_100016995436 [0,2,0,0,0,0|2,0,0]=4 17017 B17R2.5360 Brc1ccc(c(c1)Br)OCc2cnccn2 7a_100000188717_100016995436 [0,2,0,0,0,0|2,0,0]=4 17018 B17R2.5360 Brc1ccc(c(c1)Br)OCc2cncnc2 34a_100000188717_100015196519 [0,2,0,0,0,0|2,0,0]=4 17019 B17R2.5360 Brc1ccc(c(c1)Br)OCc2cncnc2 7a_100000188717_100015196519 [0,2,0,0,0,0|2,0,0]=4 17020 B17R2.5360 Brc1ccc(c(c1)Br)SCc2ccccc2 62a_100000211182_100011484698 [0,2,0,0,0,0|2,0,0]=4 17021 B17R2.5360 Brc1ccc(c(c1)Br)SCc2ccccc2 62a_100011484698_100015291786 [0,2,0,0,0,0|2,0,0]=4 17022 B17R2.5360 Brc1ccc(c(c1)Br)SCc2cccnc2 62a_100000741622_100011484698 [0,2,0,0,0,0|1,0,0]=3 17023 B17R2.5360 Brc1ccc(c(c1)Br)SCc2cccnc2 62a_100011484698_100000741622 [0,2,0,0,0,0|1,0,0]=3 17024 B17R2.5360 Brc1ccc(c(c1)Br)SCc2cccnn2 62a_100011484698_100016990269 [0,2,0,0,0,0|2,0,0]=4 17025 B17R2.5360 Brc1ccc(c(c1)Br)SCc2cccnn2 62a_100016990269_100011484698 [0,2,0,0,0,0|2,0,0]=4 17026 B17R2.5360 Brc1ccc(c(c1)Br)SCc2cnccn2 62a_100011484698_100016995436 [0,2,0,0,0,0|2,0,0]=4 17027 B17R2.5360 Brc1ccc(c(c1)Br)SCc2cnccn2 62a_100016995436_100011484698 [0,2,0,0,0,0|2,0,0]=4 17028 B17R2.5360 Brc1ccc(c(c1)Br)SCc2cncnc2 62a_100011484698_100015196519 [0,2,0,0,0,0|2,0,0]=4 17029 B17R2.5360 Brc1ccc(c(c1)Br)SCc2cncnc2 62a_100015196519_100011484698 [0,2,0,0,0,0|2,0,0]=4 17030 B17R2.5360 Brc1ccc(c(c1)I)CNc2ccccc2 207a_100000106764_100010146562 [0,2,0,0,0,0|1,0,0]=3 17031 B17R2.5360 Brc1ccc(c(c1)I)CNc2ccccc2 34a_100000106764_100010146615 [0,2,0,0,0,0|1,0,0]=3 17032 B17R2.5360 Brc1ccc(c(c1)I)COc2ccccc2 34a_100000210340_100010146615 [0,2,0,0,0,0|2,0,0]=4 17033 B17R2.5360 Brc1ccc(c(c1)I)COc2ccccc2 7a_100000210340_100010146615 [0,2,0,0,0,0|2,0,0]=4 17034 B17R2.5360 Brc1ccc(c(c1)I)COc2cccnc2 34a_100000210849_100010146615 [0,2,0,0,0,0|2,0,0]=4 17035 B17R2.5360 Brc1ccc(c(c1)I)COc2cccnc2 7a_100000210849_100010146615 [0,2,0,0,0,0|2,0,0]=4 17036 B17R2.5360 Brc1ccc(c(c1)I)CSc2ccccc2 62a_100000719477_100010146615 [0,2,0,0,0,0|2,0,0]=4 17037 B17R2.5360 Brc1ccc(c(c1)I)CSc2ccccc2 62a_100010146615_100000041952 [0,2,0,0,0,0|2,0,0]=4 17038 B17R2.5360 Brc1ccc(c(c1)I)CSc2cccnc2 62a_100000210063_100010146615 [0,2,0,0,0,0|2,0,0]=4 17039 B17R2.5360 Brc1ccc(c(c1)I)CSc2cccnc2 62a_100010146615_100000210063 [0,2,0,0,0,0|2,0,0]=4 17040 B17R2.5360 Brc1ccc(c(c1)I)NCc2ccccc2 34a_100000187925_100015291786 [0,2,0,0,0,0|1,0,0]=3 17041 B17R2.5360 Brc1ccc(c(c1)I)NCc2ccccn2 34a_100000187925_100000721315 [0,2,0,0,0,0|2,0,0]=4 17042 B17R2.5360 Brc1ccc(c(c1)I)NCc2cccnc2 34a_100000187925_100000733263 [0,2,0,0,0,0|0,0,0]=2 17043 B17R2.5360 Brc1ccc(c(c1)I)NCc2cccnn2 34a_100000187925_100016990269 [0,2,0,0,0,0|1,0,0]=3 17044 B17R2.5360 Brc1ccc(c(c1)I)NCc2cnccn2 34a_100000187925_100016995436 [0,2,0,0,0,0|1,0,0]=3 17045 B17R2.5360 Brc1ccc(c(c1)I)NCc2cncnc2 34a_100000187925_100015196519 [0,2,0,0,0,0|1,0,0]=3 17046 B17R2.5360 Brc1ccc(c(c1)I)OCc2ccccc2 34a_100012355227_100015291786 [0,2,0,0,0,0|2,0,0]=4 17047 B17R2.5360 Brc1ccc(c(c1)I)OCc2ccccc2 7a_100012355227_100000211182 [0,2,0,0,0,0|2,0,0]=4 17048 B17R2.5360 Brc1ccc(c(c1)I)OCc2cccnc2 34a_100012355227_100000733263 [0,2,0,0,0,0|1,0,0]=3 17049 B17R2.5360 Brc1ccc(c(c1)I)OCc2cccnc2 7a_100012355227_100000741622 [0,2,0,0,0,0|1,0,0]=3 17050 B17R2.5360 Brc1ccc(c(c1)I)OCc2cccnn2 34a_100012355227_100016990269 [0,2,0,0,0,0|2,0,0]=4 17051 B17R2.5360 Brc1ccc(c(c1)I)OCc2cccnn2 7a_100012355227_100016990269 [0,2,0,0,0,0|2,0,0]=4 17052 B17R2.5360 Brc1ccc(c(c1)I)OCc2cnccn2 34a_100012355227_100016995436 [0,2,0,0,0,0|2,0,0]=4 17053 B17R2.5360 Brc1ccc(c(c1)I)OCc2cnccn2 7a_100012355227_100016995436 [0,2,0,0,0,0|2,0,0]=4 17054 B17R2.5360 Brc1ccc(c(c1)I)OCc2cncnc2 34a_100012355227_100015196519 [0,2,0,0,0,0|2,0,0]=4 17055 B17R2.5360 Brc1ccc(c(c1)I)OCc2cncnc2 7a_100012355227_100015196519 [0,2,0,0,0,0|2,0,0]=4 17056 B17R2.5360 Brc1ccc(c(n1)Br)OCc2ccccc2 34a_100009999766_100015291786 [0,2,0,0,0,0|2,0,0]=4 17057 B17R2.5360 Brc1ccc(c(n1)Br)OCc2ccccc2 7a_100009999766_100000211182 [0,2,0,0,0,0|2,0,0]=4 17058 B17R2.5360 Brc1ccc(c(n1)Br)OCc2cccnc2 34a_100009999766_100000733263 [0,2,0,0,0,0|2,0,0]=4 17059 B17R2.5360 Brc1ccc(c(n1)Br)OCc2cccnc2 7a_100009999766_100000741622 [0,2,0,0,0,0|2,0,0]=4 17060 B17R2.5360 Brc1ccc(c(n1)I)OCc2ccccc2 34a_100010253912_100015291786 [0,2,0,0,0,0|2,0,0]=4 17061 B17R2.5360 Brc1ccc(c(n1)I)OCc2ccccc2 7a_100010253912_100000211182 [0,2,0,0,0,0|2,0,0]=4 17062 B17R2.5360 Brc1ccc(c(n1)I)OCc2cccnc2 34a_100010253912_100000733263 [0,2,0,0,0,0|2,0,0]=4 17063 B17R2.5360 Brc1ccc(c(n1)I)OCc2cccnc2 7a_100010253912_100000741622 [0,2,0,0,0,0|2,0,0]=4 17064 B17R2.5360 Brc1cnc(c(c1)Br)CNc2ccccc2 207a_100000106764_100000688198 [0,2,0,0,0,0|2,0,0]=4 17065 B17R2.5360 Brc1cnc(c(c1)Br)OCc2cccnc2 34a_100000701035_100000733263 [0,2,0,0,0,0|2,0,0]=4 17066 B17R2.5360 Brc1nc(ccc1OCc2ccccc2)I 34a_100000725334_100015291786 [0,2,0,0,0,0|2,0,0]=4 17067 B17R2.5360 Brc1nc(ccc1OCc2ccccc2)I 7a_100000725334_100000211182 [0,2,0,0,0,0|2,0,0]=4 17068 B17R2.5360 Brc1nc(ccc1OCc2cccnc2)I 34a_100000725334_100000733263 [0,2,0,0,0,0|2,0,0]=4 17069 B17R2.5360 Brc1nc(ccc1OCc2cccnc2)I 7a_100000725334_100000741622 [0,2,0,0,0,0|2,0,0]=4 17070 B17R2.5360 Cc1c[n+](ccc1SCc2cccnc2)[O-] 62a_100000741622_100000074940 [0,2,0,0,0,0|2,0,0]=4 17071 B17R2.5360 Cc1cc(=O)c(co1)OCc2cccnc2 34a_100000081520_100000733263 [0,2,0,0,0,0|2,0,0]=4 17072 B17R2.5360 Cc1cc(c(cn1)C#Cc2ccccc2)C 271570a_100000069678_100009819613 [0,2,0,0,0,0|1,0,1]=4 17073 B17R2.5360 Cc1cc(c(cn1)C#Cc2ccccc2)N 271570a_100000069678_100009817891 [0,2,0,0,0,0|1,0,1]=4 17074 B17R2.5360 Cc1cc(c(cn1)C#Cc2ccccc2)O 271570a_100000069678_100011016184 [0,2,0,0,0,0|1,0,1]=4 17075 B17R2.5360 Cc1cc(c(cn1)C=Cc2ccccc2)C 271570a_100102527694_100009819613 [0,2,0,0,0,0|1,0,1]=4 17076 B17R2.5360 Cc1cc(c(cn1)C=Cc2ccccc2)N 271570a_100102527694_100009817891 [0,2,0,0,0,0|1,0,1]=4 17077 B17R2.5360 Cc1cc(c(cn1)C=Cc2ccccc2)O 271570a_100102527694_100011016184 [0,2,0,0,0,0|1,0,1]=4 17078 B17R2.5360 Cc1cc(c(cn1)CNc2ccccc2)C 207a_100000106764_200009869383 [0,2,0,0,0,0|0,0,0]=2 17079 B17R2.5360 Cc1cc(c(cn1)OCc2ccccc2)Br 34a_100009843476_100015291786 [0,2,0,0,0,0|2,0,0]=4 17080 B17R2.5360 Cc1cc(c(cn1)OCc2ccccc2)Br 7a_100009843476_100000211182 [0,2,0,0,0,0|2,0,0]=4 17081 B17R2.5360 Cc1cc(c(cn1)OCc2ccccc2)C 34a_200000068632_100015291786 [0,2,0,0,0,0|2,0,0]=4 17082 B17R2.5360 Cc1cc(c(cn1)OCc2ccccc2)C 7a_200000068632_100000211182 [0,2,0,0,0,0|2,0,0]=4 17083 B17R2.5360 Cc1cc(c(cn1)OCc2cccnc2)Br 34a_100009843476_100000733263 [0,2,0,0,0,0|2,0,0]=4 17084 B17R2.5360 Cc1cc(c(cn1)OCc2cccnc2)Br 7a_100009843476_100000741622 [0,2,0,0,0,0|2,0,0]=4 17085 B17R2.5360 Cc1cc(c(cn1)OCc2cccnc2)C 34a_200000068632_100000733263 [0,2,0,0,0,0|2,0,0]=4 17086 B17R2.5360 Cc1cc(c(cn1)OCc2cccnc2)C 7a_200000068632_100000741622 [0,2,0,0,0,0|2,0,0]=4 17087 B17R2.5360 Cc1cc(c(cn1)SCc2ccccc2)C 62a_100000211182_100009819613 [0,2,0,0,0,0|2,0,0]=4 17088 B17R2.5360 Cc1cc(c(cn1)SCc2ccccc2)C 62a_100009819613_100015291786 [0,2,0,0,0,0|2,0,0]=4 17089 B17R2.5360 Cc1cc(c(cn1)SCc2ccccc2)N 62a_100000211182_100009817891 [0,2,0,0,0,0|2,0,0]=4 17090 B17R2.5360 Cc1cc(c(cn1)SCc2ccccc2)N 62a_100009817891_100015291786 [0,2,0,0,0,0|2,0,0]=4 17091 B17R2.5360 Cc1cc(c(cn1)SCc2ccccc2)O 62a_100000211182_100011016184 [0,2,0,0,0,0|2,0,0]=4 17092 B17R2.5360 Cc1cc(c(cn1)SCc2ccccc2)O 62a_100011016184_100015291786 [0,2,0,0,0,0|2,0,0]=4 17093 B17R2.5360 Cc1cc(c(cn1)SCc2cccnc2)C 62a_100000741622_100009819613 [0,2,0,0,0,0|2,0,0]=4 17094 B17R2.5360 Cc1cc(c(cn1)SCc2cccnc2)C 62a_100009819613_100000741622 [0,2,0,0,0,0|2,0,0]=4 17095 B17R2.5360 Cc1cc(c(cn1)SCc2cccnc2)N 62a_100000741622_100009817891 [0,2,0,0,0,0|2,0,0]=4 17096 B17R2.5360 Cc1cc(c(cn1)SCc2cccnc2)N 62a_100009817891_100000741622 [0,2,0,0,0,0|2,0,0]=4 17097 B17R2.5360 Cc1cc(c(cn1)SCc2cccnc2)O 62a_100000741622_100011016184 [0,2,0,0,0,0|2,0,0]=4 17098 B17R2.5360 Cc1cc(c(cn1)SCc2cccnc2)O 62a_100011016184_100000741622 [0,2,0,0,0,0|2,0,0]=4 17099 B17R2.5360 Cc1cc(ccc1C=Cc2cccnc2)Br 271570a_100102525586_100000701812 [0,2,0,0,0,0|1,0,1]=4 17100 B17R2.5360 Cc1cc(ccc1C=Cc2cccnc2)Cl 271570a_100102525586_100011219607 [0,2,0,0,0,0|1,0,1]=4 17101 B17R2.5360 Cc1cc(ccc1C=Cc2cccnc2)F 271570a_100102525586_100011205405 [0,2,0,0,0,0|1,0,1]=4 17102 B17R2.5360 Cc1cc(ccc1C=Cc2cccnc2)N 271570a_100102525586_100000210723 [0,2,0,0,0,0|1,0,1]=4 17103 B17R2.5360 Cc1cc(ccc1C=Cc2cccnc2)O 271570a_100102525586_100000729255 [0,2,0,0,0,0|1,0,1]=4 17104 B17R2.5360 Cc1cc(ccc1CNc2ccccc2)Br 207a_100000106764_100000687586 [0,2,0,0,0,0|1,0,0]=3 17105 B17R2.5360 Cc1cc(ccc1CNc2ccccc2)Br 270302a_100000106764_100000687586 [0,2,0,0,0,0|1,0,0]=3 17106 B17R2.5360 Cc1cc(ccc1CNc2ccccc2)Br 34a_100000106764_100000708836 [0,2,0,0,0,0|1,0,0]=3 17107 B17R2.5360 Cc1cc(ccc1CNc2ccccc2)Cl 207a_100000106764_100000766358 [0,2,0,0,0,0|1,0,0]=3 17108 B17R2.5360 Cc1cc(ccc1CNc2ccccc2)Cl 270302a_100000106764_100000766358 [0,2,0,0,0,0|1,0,0]=3 17109 B17R2.5360 Cc1cc(ccc1CNc2ccccc2)Cl 34a_100000106764_100012361307 [0,2,0,0,0,0|1,0,0]=3 17110 B17R2.5360 Cc1cc(ccc1CNc2ccccc2)F 207a_100000106764_100000745986 [0,2,0,0,0,0|1,0,0]=3 17111 B17R2.5360 Cc1cc(ccc1CNc2ccccc2)F 270302a_100000106764_100000745986 [0,2,0,0,0,0|1,0,0]=3 17112 B17R2.5360 Cc1cc(ccc1CNc2ccccc2)F 34a_100000106764_100000700533 [0,2,0,0,0,0|1,0,0]=3 17113 B17R2.5360 Cc1cc(ccc1COc2ccccc2)Br 34a_100000210340_100000708836 [0,2,0,0,0,0|2,0,0]=4 17114 B17R2.5360 Cc1cc(ccc1COc2ccccc2)Br 7a_100000210340_100000708836 [0,2,0,0,0,0|2,0,0]=4 17115 B17R2.5360 Cc1cc(ccc1COc2ccccc2)Cl 34a_100000210340_100012361307 [0,2,0,0,0,0|2,0,0]=4 17116 B17R2.5360 Cc1cc(ccc1COc2ccccc2)Cl 7a_100000210340_100012361307 [0,2,0,0,0,0|2,0,0]=4 17117 B17R2.5360 Cc1cc(ccc1COc2ccccc2)F 34a_100000210340_100000700533 [0,2,0,0,0,0|2,0,0]=4 17118 B17R2.5360 Cc1cc(ccc1COc2ccccc2)F 7a_100000210340_100000700533 [0,2,0,0,0,0|2,0,0]=4 17119 B17R2.5360 Cc1cc(ccc1COc2cccnc2)Br 34a_100000210849_100000708836 [0,2,0,0,0,0|2,0,0]=4 17120 B17R2.5360 Cc1cc(ccc1COc2cccnc2)Br 7a_100000210849_100000708836 [0,2,0,0,0,0|2,0,0]=4 17121 B17R2.5360 Cc1cc(ccc1COc2cccnc2)Cl 34a_100000210849_100012361307 [0,2,0,0,0,0|2,0,0]=4 17122 B17R2.5360 Cc1cc(ccc1COc2cccnc2)Cl 7a_100000210849_100012361307 [0,2,0,0,0,0|2,0,0]=4 17123 B17R2.5360 Cc1cc(ccc1COc2cccnc2)F 34a_100000210849_100000700533 [0,2,0,0,0,0|2,0,0]=4 17124 B17R2.5360 Cc1cc(ccc1COc2cccnc2)F 7a_100000210849_100000700533 [0,2,0,0,0,0|2,0,0]=4 17125 B17R2.5360 Cc1cc(ccc1CSc2ccccc2)Br 62a_100000708836_100000041952 [0,2,0,0,0,0|2,0,0]=4 17126 B17R2.5360 Cc1cc(ccc1CSc2ccccc2)Br 62a_100000719477_100000708836 [0,2,0,0,0,0|2,0,0]=4 17127 B17R2.5360 Cc1cc(ccc1CSc2ccccc2)Cl 62a_100000719477_100012361307 [0,2,0,0,0,0|2,0,0]=4 17128 B17R2.5360 Cc1cc(ccc1CSc2ccccc2)Cl 62a_100012361307_100000041952 [0,2,0,0,0,0|2,0,0]=4 17129 B17R2.5360 Cc1cc(ccc1CSc2ccccc2)F 62a_100000700533_100000041952 [0,2,0,0,0,0|2,0,0]=4 17130 B17R2.5360 Cc1cc(ccc1CSc2ccccc2)F 62a_100000719477_100000700533 [0,2,0,0,0,0|2,0,0]=4 17131 B17R2.5360 Cc1cc(ccc1CSc2cccnc2)Br 62a_100000210063_100000708836 [0,2,0,0,0,0|2,0,0]=4 17132 B17R2.5360 Cc1cc(ccc1CSc2cccnc2)Br 62a_100000708836_100000210063 [0,2,0,0,0,0|2,0,0]=4 17133 B17R2.5360 Cc1cc(ccc1CSc2cccnc2)Cl 62a_100000210063_100012361307 [0,2,0,0,0,0|2,0,0]=4 17134 B17R2.5360 Cc1cc(ccc1CSc2cccnc2)Cl 62a_100012361307_100000210063 [0,2,0,0,0,0|2,0,0]=4 17135 B17R2.5360 Cc1cc(ccc1CSc2cccnc2)F 62a_100000210063_100000700533 [0,2,0,0,0,0|2,0,0]=4 17136 B17R2.5360 Cc1cc(ccc1CSc2cccnc2)F 62a_100000700533_100000210063 [0,2,0,0,0,0|2,0,0]=4 17137 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)Br 207a_100000211769_100015611070 [0,2,0,0,0,0|1,0,0]=3 17138 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)Br 270302a_100000211769_100015611070 [0,2,0,0,0,0|1,0,0]=3 17139 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)Br 34a_100000211769_100015291786 [0,2,0,0,0,0|1,0,0]=3 17140 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)Br 7a_100000211769_100000211182 [0,2,0,0,0,0|1,0,0]=3 17141 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)Cl 207a_100000210418_100015611070 [0,2,0,0,0,0|1,0,0]=3 17142 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)Cl 270302a_100000210418_100015611070 [0,2,0,0,0,0|1,0,0]=3 17143 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)Cl 34a_100000210418_100015291786 [0,2,0,0,0,0|1,0,0]=3 17144 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)Cl 7a_100000210418_100000211182 [0,2,0,0,0,0|1,0,0]=3 17145 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)F 207a_100000211637_100015611070 [0,2,0,0,0,0|1,0,0]=3 17146 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)F 270302a_100000211637_100015611070 [0,2,0,0,0,0|1,0,0]=3 17147 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)F 34a_100000211637_100015291786 [0,2,0,0,0,0|1,0,0]=3 17148 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)F 7a_100000211637_100000211182 [0,2,0,0,0,0|1,0,0]=3 17149 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)I 207a_100000184554_100015611070 [0,2,0,0,0,0|1,0,0]=3 17150 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)I 270302a_100000184554_100015611070 [0,2,0,0,0,0|1,0,0]=3 17151 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)I 34a_100000184554_100015291786 [0,2,0,0,0,0|1,0,0]=3 17152 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)I 7a_100000184554_100000211182 [0,2,0,0,0,0|1,0,0]=3 17153 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)O 270302a_100000756630_100015611070 [0,2,0,0,0,0|1,0,0]=3 17154 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)O 34a_100000756630_100015291786 [0,2,0,0,0,0|1,0,0]=3 17155 B17R2.5360 Cc1cc(ccc1NCc2ccccn2)Br 207a_100000211769_100000209966 [0,2,0,0,0,0|2,0,0]=4 17156 B17R2.5360 Cc1cc(ccc1NCc2ccccn2)Br 270302a_100000211769_100000209966 [0,2,0,0,0,0|2,0,0]=4 17157 B17R2.5360 Cc1cc(ccc1NCc2ccccn2)Br 34a_100000211769_100000721315 [0,2,0,0,0,0|2,0,0]=4 17158 B17R2.5360 Cc1cc(ccc1NCc2ccccn2)Br 7a_100000211769_100000721315 [0,2,0,0,0,0|2,0,0]=4 17159 B17R2.5360 Cc1cc(ccc1NCc2ccccn2)Cl 207a_100000210418_100000209966 [0,2,0,0,0,0|2,0,0]=4 17160 B17R2.5360 Cc1cc(ccc1NCc2ccccn2)Cl 270302a_100000210418_100000209966 [0,2,0,0,0,0|2,0,0]=4 17161 B17R2.5360 Cc1cc(ccc1NCc2ccccn2)Cl 34a_100000210418_100000721315 [0,2,0,0,0,0|2,0,0]=4 17162 B17R2.5360 Cc1cc(ccc1NCc2ccccn2)Cl 7a_100000210418_100000721315 [0,2,0,0,0,0|2,0,0]=4 17163 B17R2.5360 Cc1cc(ccc1NCc2ccccn2)F 207a_100000211637_100000209966 [0,2,0,0,0,0|2,0,0]=4 17164 B17R2.5360 Cc1cc(ccc1NCc2ccccn2)F 270302a_100000211637_100000209966 [0,2,0,0,0,0|2,0,0]=4 17165 B17R2.5360 Cc1cc(ccc1NCc2ccccn2)F 34a_100000211637_100000721315 [0,2,0,0,0,0|2,0,0]=4 17166 B17R2.5360 Cc1cc(ccc1NCc2ccccn2)F 7a_100000211637_100000721315 [0,2,0,0,0,0|2,0,0]=4 17167 B17R2.5360 Cc1cc(ccc1NCc2ccccn2)I 207a_100000184554_100000209966 [0,2,0,0,0,0|2,0,0]=4 17168 B17R2.5360 Cc1cc(ccc1NCc2ccccn2)I 270302a_100000184554_100000209966 [0,2,0,0,0,0|2,0,0]=4 17169 B17R2.5360 Cc1cc(ccc1NCc2ccccn2)I 34a_100000184554_100000721315 [0,2,0,0,0,0|2,0,0]=4 17170 B17R2.5360 Cc1cc(ccc1NCc2ccccn2)I 7a_100000184554_100000721315 [0,2,0,0,0,0|2,0,0]=4 17171 B17R2.5360 Cc1cc(ccc1NCc2ccccn2)O 270302a_100000756630_100000209966 [0,2,0,0,0,0|2,0,0]=4 17172 B17R2.5360 Cc1cc(ccc1NCc2ccccn2)O 34a_100000756630_100000721315 [0,2,0,0,0,0|2,0,0]=4 17173 B17R2.5360 Cc1cc(ccc1NCc2cccnc2)Br 207a_100000211769_100000209961 [0,2,0,0,0,0|0,0,0]=2 17174 B17R2.5360 Cc1cc(ccc1NCc2cccnc2)Br 270302a_100000211769_100000209961 [0,2,0,0,0,0|0,0,0]=2 17175 B17R2.5360 Cc1cc(ccc1NCc2cccnc2)Br 34a_100000211769_100000733263 [0,2,0,0,0,0|0,0,0]=2 17176 B17R2.5360 Cc1cc(ccc1NCc2cccnc2)Br 7a_100000211769_100000741622 [0,2,0,0,0,0|0,0,0]=2 17177 B17R2.5360 Cc1cc(ccc1NCc2cccnc2)Cl 207a_100000210418_100000209961 [0,2,0,0,0,0|0,0,0]=2 17178 B17R2.5360 Cc1cc(ccc1NCc2cccnc2)Cl 270302a_100000210418_100000209961 [0,2,0,0,0,0|0,0,0]=2 17179 B17R2.5360 Cc1cc(ccc1NCc2cccnc2)Cl 34a_100000210418_100000733263 [0,2,0,0,0,0|0,0,0]=2 17180 B17R2.5360 Cc1cc(ccc1NCc2cccnc2)Cl 7a_100000210418_100000741622 [0,2,0,0,0,0|0,0,0]=2 17181 B17R2.5360 Cc1cc(ccc1NCc2cccnc2)F 207a_100000211637_100000209961 [0,2,0,0,0,0|0,0,0]=2 17182 B17R2.5360 Cc1cc(ccc1NCc2cccnc2)F 270302a_100000211637_100000209961 [0,2,0,0,0,0|0,0,0]=2 17183 B17R2.5360 Cc1cc(ccc1NCc2cccnc2)F 34a_100000211637_100000733263 [0,2,0,0,0,0|0,0,0]=2 17184 B17R2.5360 Cc1cc(ccc1NCc2cccnc2)F 7a_100000211637_100000741622 [0,2,0,0,0,0|0,0,0]=2 17185 B17R2.5360 Cc1cc(ccc1NCc2cccnc2)I 207a_100000184554_100000209961 [0,2,0,0,0,0|0,0,0]=2 17186 B17R2.5360 Cc1cc(ccc1NCc2cccnc2)I 270302a_100000184554_100000209961 [0,2,0,0,0,0|0,0,0]=2 17187 B17R2.5360 Cc1cc(ccc1NCc2cccnc2)I 34a_100000184554_100000733263 [0,2,0,0,0,0|0,0,0]=2 17188 B17R2.5360 Cc1cc(ccc1NCc2cccnc2)I 7a_100000184554_100000741622 [0,2,0,0,0,0|0,0,0]=2 17189 B17R2.5360 Cc1cc(ccc1NCc2cccnc2)O 270302a_100000756630_100000209961 [0,2,0,0,0,0|0,0,0]=2 17190 B17R2.5360 Cc1cc(ccc1NCc2cccnc2)O 34a_100000756630_100000733263 [0,2,0,0,0,0|0,0,0]=2 17191 B17R2.5360 Cc1cc(ccc1NCc2cccnn2)Br 34a_100000211769_100016990269 [0,2,0,0,0,0|1,0,0]=3 17192 B17R2.5360 Cc1cc(ccc1NCc2cccnn2)Br 7a_100000211769_100016990269 [0,2,0,0,0,0|1,0,0]=3 17193 B17R2.5360 Cc1cc(ccc1NCc2cccnn2)Cl 34a_100000210418_100016990269 [0,2,0,0,0,0|1,0,0]=3 17194 B17R2.5360 Cc1cc(ccc1NCc2cccnn2)Cl 7a_100000210418_100016990269 [0,2,0,0,0,0|1,0,0]=3 17195 B17R2.5360 Cc1cc(ccc1NCc2cccnn2)F 34a_100000211637_100016990269 [0,2,0,0,0,0|1,0,0]=3 17196 B17R2.5360 Cc1cc(ccc1NCc2cccnn2)F 7a_100000211637_100016990269 [0,2,0,0,0,0|1,0,0]=3 17197 B17R2.5360 Cc1cc(ccc1NCc2cccnn2)I 34a_100000184554_100016990269 [0,2,0,0,0,0|1,0,0]=3 17198 B17R2.5360 Cc1cc(ccc1NCc2cccnn2)I 7a_100000184554_100016990269 [0,2,0,0,0,0|1,0,0]=3 17199 B17R2.5360 Cc1cc(ccc1NCc2cccnn2)O 34a_100000756630_100016990269 [0,2,0,0,0,0|1,0,0]=3 17200 B17R2.5360 Cc1cc(ccc1NCc2ccncc2)Br 207a_100000211769_100000186114 [0,2,0,0,0,0|2,0,0]=4 17201 B17R2.5360 Cc1cc(ccc1NCc2ccncc2)Br 7a_100000211769_100015193705 [0,2,0,0,0,0|2,0,0]=4 17202 B17R2.5360 Cc1cc(ccc1NCc2ccncc2)Cl 207a_100000210418_100000186114 [0,2,0,0,0,0|2,0,0]=4 17203 B17R2.5360 Cc1cc(ccc1NCc2ccncc2)Cl 7a_100000210418_100015193705 [0,2,0,0,0,0|2,0,0]=4 17204 B17R2.5360 Cc1cc(ccc1NCc2ccncc2)F 207a_100000211637_100000186114 [0,2,0,0,0,0|2,0,0]=4 17205 B17R2.5360 Cc1cc(ccc1NCc2ccncc2)F 7a_100000211637_100015193705 [0,2,0,0,0,0|2,0,0]=4 17206 B17R2.5360 Cc1cc(ccc1NCc2ccncc2)I 207a_100000184554_100000186114 [0,2,0,0,0,0|2,0,0]=4 17207 B17R2.5360 Cc1cc(ccc1NCc2ccncc2)I 7a_100000184554_100015193705 [0,2,0,0,0,0|2,0,0]=4 17208 B17R2.5360 Cc1cc(ccc1NCc2ccnnc2)Br 270302a_100000211769_100011934578 [0,2,0,0,0,0|1,0,0]=3 17209 B17R2.5360 Cc1cc(ccc1NCc2ccnnc2)Cl 270302a_100000210418_100011934578 [0,2,0,0,0,0|1,0,0]=3 17210 B17R2.5360 Cc1cc(ccc1NCc2ccnnc2)F 270302a_100000211637_100011934578 [0,2,0,0,0,0|1,0,0]=3 17211 B17R2.5360 Cc1cc(ccc1NCc2ccnnc2)I 270302a_100000184554_100011934578 [0,2,0,0,0,0|1,0,0]=3 17212 B17R2.5360 Cc1cc(ccc1NCc2ccnnc2)O 270302a_100000756630_100011934578 [0,2,0,0,0,0|1,0,0]=3 17213 B17R2.5360 Cc1cc(ccc1NCc2cnccn2)Br 34a_100000211769_100016995436 [0,2,0,0,0,0|1,0,0]=3 17214 B17R2.5360 Cc1cc(ccc1NCc2cnccn2)Br 7a_100000211769_100016995436 [0,2,0,0,0,0|1,0,0]=3 17215 B17R2.5360 Cc1cc(ccc1NCc2cnccn2)Cl 34a_100000210418_100016995436 [0,2,0,0,0,0|1,0,0]=3 17216 B17R2.5360 Cc1cc(ccc1NCc2cnccn2)Cl 7a_100000210418_100016995436 [0,2,0,0,0,0|1,0,0]=3 17217 B17R2.5360 Cc1cc(ccc1NCc2cnccn2)F 34a_100000211637_100016995436 [0,2,0,0,0,0|1,0,0]=3 17218 B17R2.5360 Cc1cc(ccc1NCc2cnccn2)F 7a_100000211637_100016995436 [0,2,0,0,0,0|1,0,0]=3 17219 B17R2.5360 Cc1cc(ccc1NCc2cnccn2)I 34a_100000184554_100016995436 [0,2,0,0,0,0|1,0,0]=3 17220 B17R2.5360 Cc1cc(ccc1NCc2cnccn2)I 7a_100000184554_100016995436 [0,2,0,0,0,0|1,0,0]=3 17221 B17R2.5360 Cc1cc(ccc1NCc2cnccn2)O 34a_100000756630_100016995436 [0,2,0,0,0,0|1,0,0]=3 17222 B17R2.5360 Cc1cc(ccc1NCc2cncnc2)Br 270302a_100000211769_100000749868 [0,2,0,0,0,0|1,0,0]=3 17223 B17R2.5360 Cc1cc(ccc1NCc2cncnc2)Br 34a_100000211769_100015196519 [0,2,0,0,0,0|1,0,0]=3 17224 B17R2.5360 Cc1cc(ccc1NCc2cncnc2)Br 7a_100000211769_100015196519 [0,2,0,0,0,0|1,0,0]=3 17225 B17R2.5360 Cc1cc(ccc1NCc2cncnc2)Cl 270302a_100000210418_100000749868 [0,2,0,0,0,0|1,0,0]=3 17226 B17R2.5360 Cc1cc(ccc1NCc2cncnc2)Cl 34a_100000210418_100015196519 [0,2,0,0,0,0|1,0,0]=3 17227 B17R2.5360 Cc1cc(ccc1NCc2cncnc2)Cl 7a_100000210418_100015196519 [0,2,0,0,0,0|1,0,0]=3 17228 B17R2.5360 Cc1cc(ccc1NCc2cncnc2)F 270302a_100000211637_100000749868 [0,2,0,0,0,0|1,0,0]=3 17229 B17R2.5360 Cc1cc(ccc1NCc2cncnc2)F 34a_100000211637_100015196519 [0,2,0,0,0,0|1,0,0]=3 17230 B17R2.5360 Cc1cc(ccc1NCc2cncnc2)F 7a_100000211637_100015196519 [0,2,0,0,0,0|1,0,0]=3 17231 B17R2.5360 Cc1cc(ccc1NCc2cncnc2)I 270302a_100000184554_100000749868 [0,2,0,0,0,0|1,0,0]=3 17232 B17R2.5360 Cc1cc(ccc1NCc2cncnc2)I 34a_100000184554_100015196519 [0,2,0,0,0,0|1,0,0]=3 17233 B17R2.5360 Cc1cc(ccc1NCc2cncnc2)I 7a_100000184554_100015196519 [0,2,0,0,0,0|1,0,0]=3 17234 B17R2.5360 Cc1cc(ccc1NCc2cncnc2)O 270302a_100000756630_100000749868 [0,2,0,0,0,0|1,0,0]=3 17235 B17R2.5360 Cc1cc(ccc1NCc2cncnc2)O 34a_100000756630_100015196519 [0,2,0,0,0,0|1,0,0]=3 17236 B17R2.5360 Cc1cc(ccc1OCc2ccccc2)Br 34a_100000186361_100015291786 [0,2,0,0,0,0|2,0,0]=4 17237 B17R2.5360 Cc1cc(ccc1OCc2ccccc2)Br 7a_100000186361_100000211182 [0,2,0,0,0,0|2,0,0]=4 17238 B17R2.5360 Cc1cc(ccc1OCc2ccccc2)Cl 34a_100000211091_100015291786 [0,2,0,0,0,0|2,0,0]=4 17239 B17R2.5360 Cc1cc(ccc1OCc2ccccc2)Cl 7a_100000211091_100000211182 [0,2,0,0,0,0|2,0,0]=4 17240 B17R2.5360 Cc1cc(ccc1OCc2ccccc2)F 34a_100000764316_100015291786 [0,2,0,0,0,0|2,0,0]=4 17241 B17R2.5360 Cc1cc(ccc1OCc2ccccc2)F 7a_100000764316_100000211182 [0,2,0,0,0,0|2,0,0]=4 17242 B17R2.5360 Cc1cc(ccc1OCc2ccccc2)I 34a_100011218673_100015291786 [0,2,0,0,0,0|2,0,0]=4 17243 B17R2.5360 Cc1cc(ccc1OCc2ccccc2)I 7a_100011218673_100000211182 [0,2,0,0,0,0|2,0,0]=4 17244 B17R2.5360 Cc1cc(ccc1OCc2ccccc2)N 34a_100011218179_100015291786 [0,2,0,0,0,0|2,0,0]=4 17245 B17R2.5360 Cc1cc(ccc1OCc2ccccc2)N 7a_100011218179_100000211182 [0,2,0,0,0,0|2,0,0]=4 17246 B17R2.5360 Cc1cc(ccc1OCc2cccnc2)Br 34a_100000186361_100000733263 [0,2,0,0,0,0|1,0,0]=3 17247 B17R2.5360 Cc1cc(ccc1OCc2cccnc2)Br 7a_100000186361_100000741622 [0,2,0,0,0,0|1,0,0]=3 17248 B17R2.5360 Cc1cc(ccc1OCc2cccnc2)Cl 34a_100000211091_100000733263 [0,2,0,0,0,0|1,0,0]=3 17249 B17R2.5360 Cc1cc(ccc1OCc2cccnc2)Cl 7a_100000211091_100000741622 [0,2,0,0,0,0|1,0,0]=3 17250 B17R2.5360 Cc1cc(ccc1OCc2cccnc2)F 34a_100000764316_100000733263 [0,2,0,0,0,0|1,0,0]=3 17251 B17R2.5360 Cc1cc(ccc1OCc2cccnc2)F 7a_100000764316_100000741622 [0,2,0,0,0,0|1,0,0]=3 17252 B17R2.5360 Cc1cc(ccc1OCc2cccnc2)I 34a_100011218673_100000733263 [0,2,0,0,0,0|1,0,0]=3 17253 B17R2.5360 Cc1cc(ccc1OCc2cccnc2)I 7a_100011218673_100000741622 [0,2,0,0,0,0|1,0,0]=3 17254 B17R2.5360 Cc1cc(ccc1OCc2cccnc2)N 34a_100011218179_100000733263 [0,2,0,0,0,0|1,0,0]=3 17255 B17R2.5360 Cc1cc(ccc1OCc2cccnc2)N 7a_100011218179_100000741622 [0,2,0,0,0,0|1,0,0]=3 17256 B17R2.5360 Cc1cc(ccc1OCc2cccnn2)Br 34a_100000186361_100016990269 [0,2,0,0,0,0|2,0,0]=4 17257 B17R2.5360 Cc1cc(ccc1OCc2cccnn2)Br 7a_100000186361_100016990269 [0,2,0,0,0,0|2,0,0]=4 17258 B17R2.5360 Cc1cc(ccc1OCc2cccnn2)Cl 34a_100000211091_100016990269 [0,2,0,0,0,0|2,0,0]=4 17259 B17R2.5360 Cc1cc(ccc1OCc2cccnn2)Cl 7a_100000211091_100016990269 [0,2,0,0,0,0|2,0,0]=4 17260 B17R2.5360 Cc1cc(ccc1OCc2cccnn2)F 34a_100000764316_100016990269 [0,2,0,0,0,0|2,0,0]=4 17261 B17R2.5360 Cc1cc(ccc1OCc2cccnn2)F 7a_100000764316_100016990269 [0,2,0,0,0,0|2,0,0]=4 17262 B17R2.5360 Cc1cc(ccc1OCc2cccnn2)I 34a_100011218673_100016990269 [0,2,0,0,0,0|2,0,0]=4 17263 B17R2.5360 Cc1cc(ccc1OCc2cccnn2)I 7a_100011218673_100016990269 [0,2,0,0,0,0|2,0,0]=4 17264 B17R2.5360 Cc1cc(ccc1OCc2cccnn2)N 34a_100011218179_100016990269 [0,2,0,0,0,0|2,0,0]=4 17265 B17R2.5360 Cc1cc(ccc1OCc2cccnn2)N 7a_100011218179_100016990269 [0,2,0,0,0,0|2,0,0]=4 17266 B17R2.5360 Cc1cc(ccc1OCc2cnccn2)Br 34a_100000186361_100016995436 [0,2,0,0,0,0|2,0,0]=4 17267 B17R2.5360 Cc1cc(ccc1OCc2cnccn2)Br 7a_100000186361_100016995436 [0,2,0,0,0,0|2,0,0]=4 17268 B17R2.5360 Cc1cc(ccc1OCc2cnccn2)Cl 34a_100000211091_100016995436 [0,2,0,0,0,0|2,0,0]=4 17269 B17R2.5360 Cc1cc(ccc1OCc2cnccn2)Cl 7a_100000211091_100016995436 [0,2,0,0,0,0|2,0,0]=4 17270 B17R2.5360 Cc1cc(ccc1OCc2cnccn2)F 34a_100000764316_100016995436 [0,2,0,0,0,0|2,0,0]=4 17271 B17R2.5360 Cc1cc(ccc1OCc2cnccn2)F 7a_100000764316_100016995436 [0,2,0,0,0,0|2,0,0]=4 17272 B17R2.5360 Cc1cc(ccc1OCc2cnccn2)I 34a_100011218673_100016995436 [0,2,0,0,0,0|2,0,0]=4 17273 B17R2.5360 Cc1cc(ccc1OCc2cnccn2)I 7a_100011218673_100016995436 [0,2,0,0,0,0|2,0,0]=4 17274 B17R2.5360 Cc1cc(ccc1OCc2cnccn2)N 34a_100011218179_100016995436 [0,2,0,0,0,0|2,0,0]=4 17275 B17R2.5360 Cc1cc(ccc1OCc2cnccn2)N 7a_100011218179_100016995436 [0,2,0,0,0,0|2,0,0]=4 17276 B17R2.5360 Cc1cc(ccc1OCc2cncnc2)Br 34a_100000186361_100015196519 [0,2,0,0,0,0|2,0,0]=4 17277 B17R2.5360 Cc1cc(ccc1OCc2cncnc2)Br 7a_100000186361_100015196519 [0,2,0,0,0,0|2,0,0]=4 17278 B17R2.5360 Cc1cc(ccc1OCc2cncnc2)Cl 34a_100000211091_100015196519 [0,2,0,0,0,0|2,0,0]=4 17279 B17R2.5360 Cc1cc(ccc1OCc2cncnc2)Cl 7a_100000211091_100015196519 [0,2,0,0,0,0|2,0,0]=4 17280 B17R2.5360 Cc1cc(ccc1OCc2cncnc2)F 34a_100000764316_100015196519 [0,2,0,0,0,0|2,0,0]=4 17281 B17R2.5360 Cc1cc(ccc1OCc2cncnc2)F 7a_100000764316_100015196519 [0,2,0,0,0,0|2,0,0]=4 17282 B17R2.5360 Cc1cc(ccc1OCc2cncnc2)I 34a_100011218673_100015196519 [0,2,0,0,0,0|2,0,0]=4 17283 B17R2.5360 Cc1cc(ccc1OCc2cncnc2)I 7a_100011218673_100015196519 [0,2,0,0,0,0|2,0,0]=4 17284 B17R2.5360 Cc1cc(ccc1OCc2cncnc2)N 34a_100011218179_100015196519 [0,2,0,0,0,0|2,0,0]=4 17285 B17R2.5360 Cc1cc(ccc1OCc2cncnc2)N 7a_100011218179_100015196519 [0,2,0,0,0,0|2,0,0]=4 17286 B17R2.5360 Cc1cc(ccc1SCc2ccccc2)Br 62a_100000211182_100000701812 [0,2,0,0,0,0|2,0,0]=4 17287 B17R2.5360 Cc1cc(ccc1SCc2ccccc2)Br 62a_100000701812_100015291786 [0,2,0,0,0,0|2,0,0]=4 17288 B17R2.5360 Cc1cc(ccc1SCc2ccccc2)Cl 62a_100000211182_100011219607 [0,2,0,0,0,0|2,0,0]=4 17289 B17R2.5360 Cc1cc(ccc1SCc2ccccc2)Cl 62a_100011219607_100015291786 [0,2,0,0,0,0|2,0,0]=4 17290 B17R2.5360 Cc1cc(ccc1SCc2ccccc2)F 62a_100000211182_100011205405 [0,2,0,0,0,0|2,0,0]=4 17291 B17R2.5360 Cc1cc(ccc1SCc2ccccc2)F 62a_100011205405_100015291786 [0,2,0,0,0,0|2,0,0]=4 17292 B17R2.5360 Cc1cc(ccc1SCc2ccccc2)N 62a_100000210723_100015291786 [0,2,0,0,0,0|2,0,0]=4 17293 B17R2.5360 Cc1cc(ccc1SCc2ccccc2)N 62a_100000211182_100000210723 [0,2,0,0,0,0|2,0,0]=4 17294 B17R2.5360 Cc1cc(ccc1SCc2ccccc2)O 62a_100000211182_100000690111 [0,2,0,0,0,0|2,0,0]=4 17295 B17R2.5360 Cc1cc(ccc1SCc2cccnc2)Br 62a_100000701812_100000741622 [0,2,0,0,0,0|1,0,0]=3 17296 B17R2.5360 Cc1cc(ccc1SCc2cccnc2)Br 62a_100000741622_100000701812 [0,2,0,0,0,0|1,0,0]=3 17297 B17R2.5360 Cc1cc(ccc1SCc2cccnc2)Cl 62a_100000741622_100011219607 [0,2,0,0,0,0|1,0,0]=3 17298 B17R2.5360 Cc1cc(ccc1SCc2cccnc2)Cl 62a_100011219607_100000741622 [0,2,0,0,0,0|1,0,0]=3 17299 B17R2.5360 Cc1cc(ccc1SCc2cccnc2)F 62a_100000741622_100011205405 [0,2,0,0,0,0|1,0,0]=3 17300 B17R2.5360 Cc1cc(ccc1SCc2cccnc2)F 62a_100011205405_100000741622 [0,2,0,0,0,0|1,0,0]=3 17301 B17R2.5360 Cc1cc(ccc1SCc2cccnc2)N 62a_100000210723_100000741622 [0,2,0,0,0,0|1,0,0]=3 17302 B17R2.5360 Cc1cc(ccc1SCc2cccnc2)N 62a_100000741622_100000210723 [0,2,0,0,0,0|1,0,0]=3 17303 B17R2.5360 Cc1cc(ccc1SCc2cccnc2)O 62a_100000741622_100000690111 [0,2,0,0,0,0|1,0,0]=3 17304 B17R2.5360 Cc1cc(ccc1SCc2cccnn2)Br 62a_100000701812_100016990269 [0,2,0,0,0,0|2,0,0]=4 17305 B17R2.5360 Cc1cc(ccc1SCc2cccnn2)Br 62a_100016990269_100000701812 [0,2,0,0,0,0|2,0,0]=4 17306 B17R2.5360 Cc1cc(ccc1SCc2cccnn2)Cl 62a_100011219607_100016990269 [0,2,0,0,0,0|2,0,0]=4 17307 B17R2.5360 Cc1cc(ccc1SCc2cccnn2)Cl 62a_100016990269_100011219607 [0,2,0,0,0,0|2,0,0]=4 17308 B17R2.5360 Cc1cc(ccc1SCc2cccnn2)F 62a_100011205405_100016990269 [0,2,0,0,0,0|2,0,0]=4 17309 B17R2.5360 Cc1cc(ccc1SCc2cccnn2)F 62a_100016990269_100011205405 [0,2,0,0,0,0|2,0,0]=4 17310 B17R2.5360 Cc1cc(ccc1SCc2cccnn2)N 62a_100000210723_100016990269 [0,2,0,0,0,0|2,0,0]=4 17311 B17R2.5360 Cc1cc(ccc1SCc2cccnn2)N 62a_100016990269_100000210723 [0,2,0,0,0,0|2,0,0]=4 17312 B17R2.5360 Cc1cc(ccc1SCc2cccnn2)O 62a_100016990269_100000690111 [0,2,0,0,0,0|2,0,0]=4 17313 B17R2.5360 Cc1cc(ccc1SCc2cnccn2)Br 62a_100000701812_100016995436 [0,2,0,0,0,0|2,0,0]=4 17314 B17R2.5360 Cc1cc(ccc1SCc2cnccn2)Br 62a_100016995436_100000701812 [0,2,0,0,0,0|2,0,0]=4 17315 B17R2.5360 Cc1cc(ccc1SCc2cnccn2)Cl 62a_100011219607_100016995436 [0,2,0,0,0,0|2,0,0]=4 17316 B17R2.5360 Cc1cc(ccc1SCc2cnccn2)Cl 62a_100016995436_100011219607 [0,2,0,0,0,0|2,0,0]=4 17317 B17R2.5360 Cc1cc(ccc1SCc2cnccn2)F 62a_100011205405_100016995436 [0,2,0,0,0,0|2,0,0]=4 17318 B17R2.5360 Cc1cc(ccc1SCc2cnccn2)F 62a_100016995436_100011205405 [0,2,0,0,0,0|2,0,0]=4 17319 B17R2.5360 Cc1cc(ccc1SCc2cnccn2)N 62a_100000210723_100016995436 [0,2,0,0,0,0|2,0,0]=4 17320 B17R2.5360 Cc1cc(ccc1SCc2cnccn2)N 62a_100016995436_100000210723 [0,2,0,0,0,0|2,0,0]=4 17321 B17R2.5360 Cc1cc(ccc1SCc2cnccn2)O 62a_100016995436_100000690111 [0,2,0,0,0,0|2,0,0]=4 17322 B17R2.5360 Cc1cc(ccc1SCc2cncnc2)Br 62a_100000701812_100015196519 [0,2,0,0,0,0|2,0,0]=4 17323 B17R2.5360 Cc1cc(ccc1SCc2cncnc2)Br 62a_100015196519_100000701812 [0,2,0,0,0,0|2,0,0]=4 17324 B17R2.5360 Cc1cc(ccc1SCc2cncnc2)Cl 62a_100011219607_100015196519 [0,2,0,0,0,0|2,0,0]=4 17325 B17R2.5360 Cc1cc(ccc1SCc2cncnc2)Cl 62a_100015196519_100011219607 [0,2,0,0,0,0|2,0,0]=4 17326 B17R2.5360 Cc1cc(ccc1SCc2cncnc2)F 62a_100011205405_100015196519 [0,2,0,0,0,0|2,0,0]=4 17327 B17R2.5360 Cc1cc(ccc1SCc2cncnc2)F 62a_100015196519_100011205405 [0,2,0,0,0,0|2,0,0]=4 17328 B17R2.5360 Cc1cc(ccc1SCc2cncnc2)N 62a_100000210723_100015196519 [0,2,0,0,0,0|2,0,0]=4 17329 B17R2.5360 Cc1cc(ccc1SCc2cncnc2)N 62a_100015196519_100000210723 [0,2,0,0,0,0|2,0,0]=4 17330 B17R2.5360 Cc1cc(ccc1SCc2cncnc2)O 62a_100015196519_100000690111 [0,2,0,0,0,0|2,0,0]=4 17331 B17R2.5360 Cc1cc(cnc1CNc2ccccc2)Br 207a_100000106764_100010185443 [0,2,0,0,0,0|2,0,0]=4 17332 B17R2.5360 Cc1cc(cnc1CNc2ccccc2)Br 270302a_100000106764_100010185443 [0,2,0,0,0,0|2,0,0]=4 17333 B17R2.5360 Cc1cc(cnc1CNc2ccccc2)Cl 207a_100000106764_200009887756 [0,2,0,0,0,0|2,0,0]=4 17334 B17R2.5360 Cc1cc(cnc1CNc2ccccc2)Cl 270302a_100000106764_200009887756 [0,2,0,0,0,0|2,0,0]=4 17335 B17R2.5360 Cc1cc(cnc1OCc2cccnc2)Br 34a_100000685391_100000733263 [0,2,0,0,0,0|2,0,0]=4 17336 B17R2.5360 Cc1cc(cnc1SCc2cccnc2)Br 62a_100000741622_100012353652 [0,2,0,0,0,0|2,0,0]=4 17337 B17R2.5360 Cc1cc(cnc1SCc2cccnc2)Br 62a_100012353652_100000741622 [0,2,0,0,0,0|2,0,0]=4 17338 B17R2.5360 Cc1cc(cnc1SCc2cccnc2)F 62a_100000741622_100009817009 [0,2,0,0,0,0|2,0,0]=4 17339 B17R2.5360 Cc1cc(cnc1SCc2cccnc2)F 62a_100009817009_100000741622 [0,2,0,0,0,0|2,0,0]=4 17340 B17R2.5360 Cc1cc(cnc1SCc2cccnc2)N 62a_100000741622_100000761747 [0,2,0,0,0,0|2,0,0]=4 17341 B17R2.5360 Cc1cc(cnc1SCc2cccnc2)N 62a_100000761747_100000741622 [0,2,0,0,0,0|2,0,0]=4 17342 B17R2.5360 Cc1cc(cnc1SCc2cccnc2)O 62a_100000741622_100012000486 [0,2,0,0,0,0|2,0,0]=4 17343 B17R2.5360 Cc1cc(cnc1SCc2cccnc2)O 62a_100012000486_100000741622 [0,2,0,0,0,0|2,0,0]=4 17344 B17R2.5360 Cc1cc(ncc1C#Cc2ccccc2)Br 271570a_100000069678_100009816104 [0,2,0,0,0,0|1,0,1]=4 17345 B17R2.5360 Cc1cc(ncc1C#Cc2ccccc2)Cl 271570a_100000069678_100010172789 [0,2,0,0,0,0|1,0,1]=4 17346 B17R2.5360 Cc1cc(ncc1C#Cc2ccccc2)F 271570a_100000069678_100009820716 [0,2,0,0,0,0|1,0,1]=4 17347 B17R2.5360 Cc1cc(ncc1C#Cc2ccccc2)N 271570a_100000069678_100000050067 [0,2,0,0,0,0|1,0,1]=4 17348 B17R2.5360 Cc1cc(ncc1C#Cc2ccccc2)O 271570a_100000069678_100010114363 [0,2,0,0,0,0|1,0,1]=4 17349 B17R2.5360 Cc1cc(ncc1C=Cc2ccccc2)Br 271570a_100102527694_100009816104 [0,2,0,0,0,0|1,0,1]=4 17350 B17R2.5360 Cc1cc(ncc1C=Cc2ccccc2)Cl 271570a_100102527694_100010172789 [0,2,0,0,0,0|1,0,1]=4 17351 B17R2.5360 Cc1cc(ncc1C=Cc2ccccc2)F 271570a_100102527694_100009820716 [0,2,0,0,0,0|1,0,1]=4 17352 B17R2.5360 Cc1cc(ncc1C=Cc2ccccc2)N 271570a_100102527694_100000050067 [0,2,0,0,0,0|1,0,1]=4 17353 B17R2.5360 Cc1cc(ncc1C=Cc2ccccc2)O 271570a_100102527694_100010114363 [0,2,0,0,0,0|1,0,1]=4 17354 B17R2.5360 Cc1cc(ncc1CNc2ccccc2)F 34a_100000106764_100010382440 [0,2,0,0,0,0|0,0,0]=2 17355 B17R2.5360 Cc1cc(ncc1COc2ccccc2)F 34a_100000210340_100010382440 [0,2,0,0,0,0|1,0,0]=3 17356 B17R2.5360 Cc1cc(ncc1COc2ccccc2)F 7a_100000210340_100010382440 [0,2,0,0,0,0|1,0,0]=3 17357 B17R2.5360 Cc1cc(ncc1COc2cccnc2)F 34a_100000210849_100010382440 [0,2,0,0,0,0|2,0,0]=4 17358 B17R2.5360 Cc1cc(ncc1COc2cccnc2)F 7a_100000210849_100010382440 [0,2,0,0,0,0|2,0,0]=4 17359 B17R2.5360 Cc1cc(ncc1COc2ccncc2)F 34a_100000212176_100010382440 [0,2,0,0,0,0|2,0,0]=4 17360 B17R2.5360 Cc1cc(ncc1CSc2ccccc2)F 62a_100000719477_100010382440 [0,2,0,0,0,0|1,0,0]=3 17361 B17R2.5360 Cc1cc(ncc1CSc2ccccc2)F 62a_100010382440_100000041952 [0,2,0,0,0,0|1,0,0]=3 17362 B17R2.5360 Cc1cc(ncc1CSc2ccccn2)F 62a_100010382440_100011216584 [0,2,0,0,0,0|2,0,0]=4 17363 B17R2.5360 Cc1cc(ncc1CSc2ccccn2)F 62a_100011216584_100010382440 [0,2,0,0,0,0|2,0,0]=4 17364 B17R2.5360 Cc1cc(ncc1CSc2cccnc2)F 62a_100000210063_100010382440 [0,2,0,0,0,0|2,0,0]=4 17365 B17R2.5360 Cc1cc(ncc1CSc2cccnc2)F 62a_100010382440_100000210063 [0,2,0,0,0,0|2,0,0]=4 17366 B17R2.5360 Cc1cc(ncc1CSc2ccncc2)F 62a_100000728582_100010382440 [0,2,0,0,0,0|2,0,0]=4 17367 B17R2.5360 Cc1cc(ncc1CSc2ccncc2)F 62a_100010382440_100000728582 [0,2,0,0,0,0|2,0,0]=4 17368 B17R2.5360 Cc1cc(ncc1OCc2ccccc2)Cl 34a_100000692680_100015291786 [0,2,0,0,0,0|2,0,0]=4 17369 B17R2.5360 Cc1cc(ncc1OCc2ccccc2)Cl 7a_100000692680_100000211182 [0,2,0,0,0,0|2,0,0]=4 17370 B17R2.5360 Cc1cc(ncc1OCc2ccccc2)F 34a_100009856773_100015291786 [0,2,0,0,0,0|2,0,0]=4 17371 B17R2.5360 Cc1cc(ncc1OCc2ccccc2)F 7a_100009856773_100000211182 [0,2,0,0,0,0|2,0,0]=4 17372 B17R2.5360 Cc1cc(ncc1OCc2cccnc2)Cl 34a_100000692680_100000733263 [0,2,0,0,0,0|2,0,0]=4 17373 B17R2.5360 Cc1cc(ncc1OCc2cccnc2)Cl 7a_100000692680_100000741622 [0,2,0,0,0,0|2,0,0]=4 17374 B17R2.5360 Cc1cc(ncc1OCc2cccnc2)F 34a_100009856773_100000733263 [0,2,0,0,0,0|2,0,0]=4 17375 B17R2.5360 Cc1cc(ncc1OCc2cccnc2)F 7a_100009856773_100000741622 [0,2,0,0,0,0|2,0,0]=4 17376 B17R2.5360 Cc1cc(ncc1SCc2ccccc2)Br 62a_100000211182_100009816104 [0,2,0,0,0,0|2,0,0]=4 17377 B17R2.5360 Cc1cc(ncc1SCc2ccccc2)Br 62a_100009816104_100015291786 [0,2,0,0,0,0|2,0,0]=4 17378 B17R2.5360 Cc1cc(ncc1SCc2ccccc2)Cl 62a_100000211182_100010172789 [0,2,0,0,0,0|2,0,0]=4 17379 B17R2.5360 Cc1cc(ncc1SCc2ccccc2)Cl 62a_100010172789_100015291786 [0,2,0,0,0,0|2,0,0]=4 17380 B17R2.5360 Cc1cc(ncc1SCc2ccccc2)F 62a_100000211182_100009820716 [0,2,0,0,0,0|2,0,0]=4 17381 B17R2.5360 Cc1cc(ncc1SCc2ccccc2)F 62a_100009820716_100015291786 [0,2,0,0,0,0|2,0,0]=4 17382 B17R2.5360 Cc1cc(ncc1SCc2ccccc2)N 62a_100000050067_100015291786 [0,2,0,0,0,0|2,0,0]=4 17383 B17R2.5360 Cc1cc(ncc1SCc2ccccc2)N 62a_100000211182_100000050067 [0,2,0,0,0,0|2,0,0]=4 17384 B17R2.5360 Cc1cc(ncc1SCc2ccccc2)O 62a_100000211182_100000766222 [0,2,0,0,0,0|2,0,0]=4 17385 B17R2.5360 Cc1cc(ncc1SCc2ccccc2)O 62a_100000766222_100015291786 [0,2,0,0,0,0|2,0,0]=4 17386 B17R2.5360 Cc1cc(ncc1SCc2cccnc2)Br 62a_100000741622_100009816104 [0,2,0,0,0,0|2,0,0]=4 17387 B17R2.5360 Cc1cc(ncc1SCc2cccnc2)Br 62a_100009816104_100000741622 [0,2,0,0,0,0|2,0,0]=4 17388 B17R2.5360 Cc1cc(ncc1SCc2cccnc2)Cl 62a_100000741622_100010172789 [0,2,0,0,0,0|2,0,0]=4 17389 B17R2.5360 Cc1cc(ncc1SCc2cccnc2)Cl 62a_100010172789_100000741622 [0,2,0,0,0,0|2,0,0]=4 17390 B17R2.5360 Cc1cc(ncc1SCc2cccnc2)F 62a_100000741622_100009820716 [0,2,0,0,0,0|2,0,0]=4 17391 B17R2.5360 Cc1cc(ncc1SCc2cccnc2)F 62a_100009820716_100000741622 [0,2,0,0,0,0|2,0,0]=4 17392 B17R2.5360 Cc1cc(ncc1SCc2cccnc2)N 62a_100000050067_100000741622 [0,2,0,0,0,0|2,0,0]=4 17393 B17R2.5360 Cc1cc(ncc1SCc2cccnc2)N 62a_100000741622_100000050067 [0,2,0,0,0,0|2,0,0]=4 17394 B17R2.5360 Cc1cc(ncc1SCc2cccnc2)O 62a_100000741622_100000766222 [0,2,0,0,0,0|2,0,0]=4 17395 B17R2.5360 Cc1cc(ncc1SCc2cccnc2)O 62a_100000766222_100000741622 [0,2,0,0,0,0|2,0,0]=4 17396 B17R2.5360 Cc1ccc([n+](c1)[O-])SCc2cccnc2 62a_100000741622_100009819918 [0,2,0,0,0,0|2,0,0]=4 17397 B17R2.5360 Cc1ccc(c(c1)Br)C=Cc2cccnc2 271570a_100102525586_100009813563 [0,2,0,0,0,0|1,0,1]=4 17398 B17R2.5360 Cc1ccc(c(c1)Br)CNc2ccccc2 207a_100000106764_100000692596 [0,2,0,0,0,0|1,0,0]=3 17399 B17R2.5360 Cc1ccc(c(c1)Br)CNc2ccccc2 270302a_100000106764_100000692596 [0,2,0,0,0,0|1,0,0]=3 17400 B17R2.5360 Cc1ccc(c(c1)Br)NCc2ccccc2 270302a_100000210942_100015611070 [0,2,0,0,0,0|1,0,0]=3 17401 B17R2.5360 Cc1ccc(c(c1)Br)NCc2ccccc2 34a_100000210942_100015291786 [0,2,0,0,0,0|1,0,0]=3 17402 B17R2.5360 Cc1ccc(c(c1)Br)NCc2ccccn2 270302a_100000210942_100000209966 [0,2,0,0,0,0|2,0,0]=4 17403 B17R2.5360 Cc1ccc(c(c1)Br)NCc2ccccn2 34a_100000210942_100000721315 [0,2,0,0,0,0|2,0,0]=4 17404 B17R2.5360 Cc1ccc(c(c1)Br)NCc2cccnc2 270302a_100000210942_100000209961 [0,2,0,0,0,0|0,0,0]=2 17405 B17R2.5360 Cc1ccc(c(c1)Br)NCc2cccnc2 34a_100000210942_100000733263 [0,2,0,0,0,0|0,0,0]=2 17406 B17R2.5360 Cc1ccc(c(c1)Br)NCc2cccnn2 34a_100000210942_100016990269 [0,2,0,0,0,0|1,0,0]=3 17407 B17R2.5360 Cc1ccc(c(c1)Br)NCc2ccnnc2 270302a_100000210942_100011934578 [0,2,0,0,0,0|1,0,0]=3 17408 B17R2.5360 Cc1ccc(c(c1)Br)NCc2cnccn2 34a_100000210942_100016995436 [0,2,0,0,0,0|1,0,0]=3 17409 B17R2.5360 Cc1ccc(c(c1)Br)NCc2cncnc2 270302a_100000210942_100000749868 [0,2,0,0,0,0|1,0,0]=3 17410 B17R2.5360 Cc1ccc(c(c1)Br)NCc2cncnc2 34a_100000210942_100015196519 [0,2,0,0,0,0|1,0,0]=3 17411 B17R2.5360 Cc1ccc(c(c1)Br)OCc2ccccc2 34a_100000210800_100015291786 [0,2,0,0,0,0|2,0,0]=4 17412 B17R2.5360 Cc1ccc(c(c1)Br)OCc2ccccc2 7a_100000210800_100000211182 [0,2,0,0,0,0|2,0,0]=4 17413 B17R2.5360 Cc1ccc(c(c1)Br)OCc2cccnc2 34a_100000210800_100000733263 [0,2,0,0,0,0|1,0,0]=3 17414 B17R2.5360 Cc1ccc(c(c1)Br)OCc2cccnc2 7a_100000210800_100000741622 [0,2,0,0,0,0|1,0,0]=3 17415 B17R2.5360 Cc1ccc(c(c1)Br)OCc2cccnn2 34a_100000210800_100016990269 [0,2,0,0,0,0|2,0,0]=4 17416 B17R2.5360 Cc1ccc(c(c1)Br)OCc2cccnn2 7a_100000210800_100016990269 [0,2,0,0,0,0|2,0,0]=4 17417 B17R2.5360 Cc1ccc(c(c1)Br)OCc2cnccn2 34a_100000210800_100016995436 [0,2,0,0,0,0|2,0,0]=4 17418 B17R2.5360 Cc1ccc(c(c1)Br)OCc2cnccn2 7a_100000210800_100016995436 [0,2,0,0,0,0|2,0,0]=4 17419 B17R2.5360 Cc1ccc(c(c1)Br)OCc2cncnc2 34a_100000210800_100015196519 [0,2,0,0,0,0|2,0,0]=4 17420 B17R2.5360 Cc1ccc(c(c1)Br)OCc2cncnc2 7a_100000210800_100015196519 [0,2,0,0,0,0|2,0,0]=4 17421 B17R2.5360 Cc1ccc(c(c1)Br)SCc2ccccc2 62a_100000211182_100009813563 [0,2,0,0,0,0|2,0,0]=4 17422 B17R2.5360 Cc1ccc(c(c1)Br)SCc2ccccc2 62a_100009813563_100015291786 [0,2,0,0,0,0|2,0,0]=4 17423 B17R2.5360 Cc1ccc(c(c1)Br)SCc2cccnc2 62a_100000741622_100009813563 [0,2,0,0,0,0|1,0,0]=3 17424 B17R2.5360 Cc1ccc(c(c1)Br)SCc2cccnc2 62a_100009813563_100000741622 [0,2,0,0,0,0|1,0,0]=3 17425 B17R2.5360 Cc1ccc(c(c1)Br)SCc2cccnn2 62a_100009813563_100016990269 [0,2,0,0,0,0|2,0,0]=4 17426 B17R2.5360 Cc1ccc(c(c1)Br)SCc2cccnn2 62a_100016990269_100009813563 [0,2,0,0,0,0|2,0,0]=4 17427 B17R2.5360 Cc1ccc(c(c1)Br)SCc2cnccn2 62a_100009813563_100016995436 [0,2,0,0,0,0|2,0,0]=4 17428 B17R2.5360 Cc1ccc(c(c1)Br)SCc2cnccn2 62a_100016995436_100009813563 [0,2,0,0,0,0|2,0,0]=4 17429 B17R2.5360 Cc1ccc(c(c1)Br)SCc2cncnc2 62a_100009813563_100015196519 [0,2,0,0,0,0|2,0,0]=4 17430 B17R2.5360 Cc1ccc(c(c1)Br)SCc2cncnc2 62a_100015196519_100009813563 [0,2,0,0,0,0|2,0,0]=4 17431 B17R2.5360 Cc1ccc(c(c1)C)C=Cc2cccnc2 271570a_100102525586_100011217332 [0,2,0,0,0,0|1,0,1]=4 17432 B17R2.5360 Cc1ccc(c(c1)C)CNc2ccccc2 207a_100000106764_100000211342 [0,2,0,0,0,0|1,0,0]=3 17433 B17R2.5360 Cc1ccc(c(c1)C)CNc2ccccc2 270302a_100000106764_100000211342 [0,2,0,0,0,0|1,0,0]=3 17434 B17R2.5360 Cc1ccc(c(c1)C)CNc2ccccc2 34a_100000106764_100011219618 [0,2,0,0,0,0|1,0,0]=3 17435 B17R2.5360 Cc1ccc(c(c1)C)COc2ccccc2 34a_100000210340_100011219618 [0,2,0,0,0,0|2,0,0]=4 17436 B17R2.5360 Cc1ccc(c(c1)C)COc2ccccc2 7a_100000210340_100011219618 [0,2,0,0,0,0|2,0,0]=4 17437 B17R2.5360 Cc1ccc(c(c1)C)COc2cccnc2 34a_100000210849_100011219618 [0,2,0,0,0,0|2,0,0]=4 17438 B17R2.5360 Cc1ccc(c(c1)C)COc2cccnc2 7a_100000210849_100011219618 [0,2,0,0,0,0|2,0,0]=4 17439 B17R2.5360 Cc1ccc(c(c1)C)CSc2ccccc2 62a_100000719477_100011219618 [0,2,0,0,0,0|2,0,0]=4 17440 B17R2.5360 Cc1ccc(c(c1)C)CSc2ccccc2 62a_100011219618_100000041952 [0,2,0,0,0,0|2,0,0]=4 17441 B17R2.5360 Cc1ccc(c(c1)C)CSc2cccnc2 62a_100000210063_100011219618 [0,2,0,0,0,0|2,0,0]=4 17442 B17R2.5360 Cc1ccc(c(c1)C)CSc2cccnc2 62a_100011219618_100000210063 [0,2,0,0,0,0|2,0,0]=4 17443 B17R2.5360 Cc1ccc(c(c1)C)NCc2ccccc2 207a_100000736561_100015611070 [0,2,0,0,0,0|1,0,0]=3 17444 B17R2.5360 Cc1ccc(c(c1)C)NCc2ccccc2 270302a_100000736561_100015611070 [0,2,0,0,0,0|1,0,0]=3 17445 B17R2.5360 Cc1ccc(c(c1)C)NCc2ccccc2 34a_100000736561_100015291786 [0,2,0,0,0,0|1,0,0]=3 17446 B17R2.5360 Cc1ccc(c(c1)C)NCc2ccccc2 7a_100000736561_100000211182 [0,2,0,0,0,0|1,0,0]=3 17447 B17R2.5360 Cc1ccc(c(c1)C)NCc2ccccn2 207a_100000736561_100000209966 [0,2,0,0,0,0|2,0,0]=4 17448 B17R2.5360 Cc1ccc(c(c1)C)NCc2ccccn2 270302a_100000736561_100000209966 [0,2,0,0,0,0|2,0,0]=4 17449 B17R2.5360 Cc1ccc(c(c1)C)NCc2ccccn2 34a_100000736561_100000721315 [0,2,0,0,0,0|2,0,0]=4 17450 B17R2.5360 Cc1ccc(c(c1)C)NCc2ccccn2 7a_100000736561_100000721315 [0,2,0,0,0,0|2,0,0]=4 17451 B17R2.5360 Cc1ccc(c(c1)C)NCc2cccnc2 207a_100000736561_100000209961 [0,2,0,0,0,0|0,0,0]=2 17452 B17R2.5360 Cc1ccc(c(c1)C)NCc2cccnc2 270302a_100000736561_100000209961 [0,2,0,0,0,0|0,0,0]=2 17453 B17R2.5360 Cc1ccc(c(c1)C)NCc2cccnc2 34a_100000736561_100000733263 [0,2,0,0,0,0|0,0,0]=2 17454 B17R2.5360 Cc1ccc(c(c1)C)NCc2cccnc2 7a_100000736561_100000741622 [0,2,0,0,0,0|0,0,0]=2 17455 B17R2.5360 Cc1ccc(c(c1)C)NCc2cccnn2 34a_100000736561_100016990269 [0,2,0,0,0,0|1,0,0]=3 17456 B17R2.5360 Cc1ccc(c(c1)C)NCc2cccnn2 7a_100000736561_100016990269 [0,2,0,0,0,0|1,0,0]=3 17457 B17R2.5360 Cc1ccc(c(c1)C)NCc2ccncc2 207a_100000736561_100000186114 [0,2,0,0,0,0|2,0,0]=4 17458 B17R2.5360 Cc1ccc(c(c1)C)NCc2ccncc2 7a_100000736561_100015193705 [0,2,0,0,0,0|2,0,0]=4 17459 B17R2.5360 Cc1ccc(c(c1)C)NCc2ccnnc2 270302a_100000736561_100011934578 [0,2,0,0,0,0|1,0,0]=3 17460 B17R2.5360 Cc1ccc(c(c1)C)NCc2cnccn2 34a_100000736561_100016995436 [0,2,0,0,0,0|1,0,0]=3 17461 B17R2.5360 Cc1ccc(c(c1)C)NCc2cnccn2 7a_100000736561_100016995436 [0,2,0,0,0,0|1,0,0]=3 17462 B17R2.5360 Cc1ccc(c(c1)C)NCc2cncnc2 270302a_100000736561_100000749868 [0,2,0,0,0,0|1,0,0]=3 17463 B17R2.5360 Cc1ccc(c(c1)C)NCc2cncnc2 34a_100000736561_100015196519 [0,2,0,0,0,0|1,0,0]=3 17464 B17R2.5360 Cc1ccc(c(c1)C)NCc2cncnc2 7a_100000736561_100015196519 [0,2,0,0,0,0|1,0,0]=3 17465 B17R2.5360 Cc1ccc(c(c1)C)OCc2ccccc2 34a_100000211776_100015291786 [0,2,0,0,0,0|2,0,0]=4 17466 B17R2.5360 Cc1ccc(c(c1)C)OCc2ccccc2 7a_100000211776_100000211182 [0,2,0,0,0,0|2,0,0]=4 17467 B17R2.5360 Cc1ccc(c(c1)C)OCc2cccnc2 34a_100000211776_100000733263 [0,2,0,0,0,0|1,0,0]=3 17468 B17R2.5360 Cc1ccc(c(c1)C)OCc2cccnc2 7a_100000211776_100000741622 [0,2,0,0,0,0|1,0,0]=3 17469 B17R2.5360 Cc1ccc(c(c1)C)OCc2cccnn2 34a_100000211776_100016990269 [0,2,0,0,0,0|2,0,0]=4 17470 B17R2.5360 Cc1ccc(c(c1)C)OCc2cccnn2 7a_100000211776_100016990269 [0,2,0,0,0,0|2,0,0]=4 17471 B17R2.5360 Cc1ccc(c(c1)C)OCc2cnccn2 34a_100000211776_100016995436 [0,2,0,0,0,0|2,0,0]=4 17472 B17R2.5360 Cc1ccc(c(c1)C)OCc2cnccn2 7a_100000211776_100016995436 [0,2,0,0,0,0|2,0,0]=4 17473 B17R2.5360 Cc1ccc(c(c1)C)OCc2cncnc2 34a_100000211776_100015196519 [0,2,0,0,0,0|2,0,0]=4 17474 B17R2.5360 Cc1ccc(c(c1)C)OCc2cncnc2 7a_100000211776_100015196519 [0,2,0,0,0,0|2,0,0]=4 17475 B17R2.5360 Cc1ccc(c(c1)C)SCc2ccccc2 62a_100000211182_100011217332 [0,2,0,0,0,0|2,0,0]=4 17476 B17R2.5360 Cc1ccc(c(c1)C)SCc2ccccc2 62a_100011217332_100015291786 [0,2,0,0,0,0|2,0,0]=4 17477 B17R2.5360 Cc1ccc(c(c1)C)SCc2cccnc2 62a_100000741622_100011217332 [0,2,0,0,0,0|1,0,0]=3 17478 B17R2.5360 Cc1ccc(c(c1)C)SCc2cccnc2 62a_100011217332_100000741622 [0,2,0,0,0,0|1,0,0]=3 17479 B17R2.5360 Cc1ccc(c(c1)C)SCc2cccnn2 62a_100011217332_100016990269 [0,2,0,0,0,0|2,0,0]=4 17480 B17R2.5360 Cc1ccc(c(c1)C)SCc2cccnn2 62a_100016990269_100011217332 [0,2,0,0,0,0|2,0,0]=4 17481 B17R2.5360 Cc1ccc(c(c1)C)SCc2cnccn2 62a_100011217332_100016995436 [0,2,0,0,0,0|2,0,0]=4 17482 B17R2.5360 Cc1ccc(c(c1)C)SCc2cnccn2 62a_100016995436_100011217332 [0,2,0,0,0,0|2,0,0]=4 17483 B17R2.5360 Cc1ccc(c(c1)C)SCc2cncnc2 62a_100011217332_100015196519 [0,2,0,0,0,0|2,0,0]=4 17484 B17R2.5360 Cc1ccc(c(c1)C)SCc2cncnc2 62a_100015196519_100011217332 [0,2,0,0,0,0|2,0,0]=4 17485 B17R2.5360 Cc1ccc(c(c1)Cl)C=Cc2cccnc2 271570a_100102525586_100011263221 [0,2,0,0,0,0|1,0,1]=4 17486 B17R2.5360 Cc1ccc(c(c1)Cl)CNc2ccccc2 207a_100000106764_100011935181 [0,2,0,0,0,0|1,0,0]=3 17487 B17R2.5360 Cc1ccc(c(c1)Cl)CNc2ccccc2 270302a_100000106764_100011935181 [0,2,0,0,0,0|1,0,0]=3 17488 B17R2.5360 Cc1ccc(c(c1)Cl)CNc2ccccc2 34a_100000106764_100012349684 [0,2,0,0,0,0|1,0,0]=3 17489 B17R2.5360 Cc1ccc(c(c1)Cl)COc2ccccc2 34a_100000210340_100012349684 [0,2,0,0,0,0|2,0,0]=4 17490 B17R2.5360 Cc1ccc(c(c1)Cl)COc2ccccc2 7a_100000210340_100012349684 [0,2,0,0,0,0|2,0,0]=4 17491 B17R2.5360 Cc1ccc(c(c1)Cl)COc2cccnc2 34a_100000210849_100012349684 [0,2,0,0,0,0|2,0,0]=4 17492 B17R2.5360 Cc1ccc(c(c1)Cl)COc2cccnc2 7a_100000210849_100012349684 [0,2,0,0,0,0|2,0,0]=4 17493 B17R2.5360 Cc1ccc(c(c1)Cl)CSc2ccccc2 62a_100000719477_100012349684 [0,2,0,0,0,0|2,0,0]=4 17494 B17R2.5360 Cc1ccc(c(c1)Cl)CSc2ccccc2 62a_100012349684_100000041952 [0,2,0,0,0,0|2,0,0]=4 17495 B17R2.5360 Cc1ccc(c(c1)Cl)CSc2cccnc2 62a_100000210063_100012349684 [0,2,0,0,0,0|2,0,0]=4 17496 B17R2.5360 Cc1ccc(c(c1)Cl)CSc2cccnc2 62a_100012349684_100000210063 [0,2,0,0,0,0|2,0,0]=4 17497 B17R2.5360 Cc1ccc(c(c1)Cl)NCc2ccccc2 270302a_100000210522_100015611070 [0,2,0,0,0,0|1,0,0]=3 17498 B17R2.5360 Cc1ccc(c(c1)Cl)NCc2ccccc2 34a_100000210522_100015291786 [0,2,0,0,0,0|1,0,0]=3 17499 B17R2.5360 Cc1ccc(c(c1)Cl)NCc2ccccn2 270302a_100000210522_100000209966 [0,2,0,0,0,0|2,0,0]=4 17500 B17R2.5360 Cc1ccc(c(c1)Cl)NCc2ccccn2 34a_100000210522_100000721315 [0,2,0,0,0,0|2,0,0]=4 17501 B17R2.5360 Cc1ccc(c(c1)Cl)NCc2cccnc2 270302a_100000210522_100000209961 [0,2,0,0,0,0|0,0,0]=2 17502 B17R2.5360 Cc1ccc(c(c1)Cl)NCc2cccnc2 34a_100000210522_100000733263 [0,2,0,0,0,0|0,0,0]=2 17503 B17R2.5360 Cc1ccc(c(c1)Cl)NCc2cccnn2 34a_100000210522_100016990269 [0,2,0,0,0,0|1,0,0]=3 17504 B17R2.5360 Cc1ccc(c(c1)Cl)NCc2ccnnc2 270302a_100000210522_100011934578 [0,2,0,0,0,0|1,0,0]=3 17505 B17R2.5360 Cc1ccc(c(c1)Cl)NCc2cnccn2 34a_100000210522_100016995436 [0,2,0,0,0,0|1,0,0]=3 17506 B17R2.5360 Cc1ccc(c(c1)Cl)NCc2cncnc2 270302a_100000210522_100000749868 [0,2,0,0,0,0|1,0,0]=3 17507 B17R2.5360 Cc1ccc(c(c1)Cl)NCc2cncnc2 34a_100000210522_100015196519 [0,2,0,0,0,0|1,0,0]=3 17508 B17R2.5360 Cc1ccc(c(c1)Cl)OCc2ccccc2 34a_100000749699_100015291786 [0,2,0,0,0,0|2,0,0]=4 17509 B17R2.5360 Cc1ccc(c(c1)Cl)OCc2ccccc2 7a_100000749699_100000211182 [0,2,0,0,0,0|2,0,0]=4 17510 B17R2.5360 Cc1ccc(c(c1)Cl)OCc2cccnc2 34a_100000749699_100000733263 [0,2,0,0,0,0|1,0,0]=3 17511 B17R2.5360 Cc1ccc(c(c1)Cl)OCc2cccnc2 7a_100000749699_100000741622 [0,2,0,0,0,0|1,0,0]=3 17512 B17R2.5360 Cc1ccc(c(c1)Cl)OCc2cccnn2 34a_100000749699_100016990269 [0,2,0,0,0,0|2,0,0]=4 17513 B17R2.5360 Cc1ccc(c(c1)Cl)OCc2cccnn2 7a_100000749699_100016990269 [0,2,0,0,0,0|2,0,0]=4 17514 B17R2.5360 Cc1ccc(c(c1)Cl)OCc2cnccn2 34a_100000749699_100016995436 [0,2,0,0,0,0|2,0,0]=4 17515 B17R2.5360 Cc1ccc(c(c1)Cl)OCc2cnccn2 7a_100000749699_100016995436 [0,2,0,0,0,0|2,0,0]=4 17516 B17R2.5360 Cc1ccc(c(c1)Cl)OCc2cncnc2 34a_100000749699_100015196519 [0,2,0,0,0,0|2,0,0]=4 17517 B17R2.5360 Cc1ccc(c(c1)Cl)OCc2cncnc2 7a_100000749699_100015196519 [0,2,0,0,0,0|2,0,0]=4 17518 B17R2.5360 Cc1ccc(c(c1)Cl)SCc2ccccc2 62a_100000211182_100011263221 [0,2,0,0,0,0|2,0,0]=4 17519 B17R2.5360 Cc1ccc(c(c1)Cl)SCc2ccccc2 62a_100011263221_100015291786 [0,2,0,0,0,0|2,0,0]=4 17520 B17R2.5360 Cc1ccc(c(c1)Cl)SCc2cccnc2 62a_100000741622_100011263221 [0,2,0,0,0,0|1,0,0]=3 17521 B17R2.5360 Cc1ccc(c(c1)Cl)SCc2cccnc2 62a_100011263221_100000741622 [0,2,0,0,0,0|1,0,0]=3 17522 B17R2.5360 Cc1ccc(c(c1)Cl)SCc2cccnn2 62a_100011263221_100016990269 [0,2,0,0,0,0|2,0,0]=4 17523 B17R2.5360 Cc1ccc(c(c1)Cl)SCc2cccnn2 62a_100016990269_100011263221 [0,2,0,0,0,0|2,0,0]=4 17524 B17R2.5360 Cc1ccc(c(c1)Cl)SCc2cnccn2 62a_100011263221_100016995436 [0,2,0,0,0,0|2,0,0]=4 17525 B17R2.5360 Cc1ccc(c(c1)Cl)SCc2cnccn2 62a_100016995436_100011263221 [0,2,0,0,0,0|2,0,0]=4 17526 B17R2.5360 Cc1ccc(c(c1)Cl)SCc2cncnc2 62a_100011263221_100015196519 [0,2,0,0,0,0|2,0,0]=4 17527 B17R2.5360 Cc1ccc(c(c1)Cl)SCc2cncnc2 62a_100015196519_100011263221 [0,2,0,0,0,0|2,0,0]=4 17528 B17R2.5360 Cc1ccc(c(c1)F)C=Cc2cccnc2 271570a_100102525586_100011216119 [0,2,0,0,0,0|1,0,1]=4 17529 B17R2.5360 Cc1ccc(c(c1)F)CNc2ccccc2 207a_100000106764_100011217368 [0,2,0,0,0,0|1,0,0]=3 17530 B17R2.5360 Cc1ccc(c(c1)F)CNc2ccccc2 270302a_100000106764_100011217368 [0,2,0,0,0,0|1,0,0]=3 17531 B17R2.5360 Cc1ccc(c(c1)F)CNc2ccccc2 34a_100000106764_100012002367 [0,2,0,0,0,0|1,0,0]=3 17532 B17R2.5360 Cc1ccc(c(c1)F)COc2ccccc2 34a_100000210340_100012002367 [0,2,0,0,0,0|2,0,0]=4 17533 B17R2.5360 Cc1ccc(c(c1)F)COc2ccccc2 7a_100000210340_100012002367 [0,2,0,0,0,0|2,0,0]=4 17534 B17R2.5360 Cc1ccc(c(c1)F)COc2cccnc2 34a_100000210849_100012002367 [0,2,0,0,0,0|2,0,0]=4 17535 B17R2.5360 Cc1ccc(c(c1)F)COc2cccnc2 7a_100000210849_100012002367 [0,2,0,0,0,0|2,0,0]=4 17536 B17R2.5360 Cc1ccc(c(c1)F)CSc2ccccc2 62a_100000719477_100011217900 [0,2,0,0,0,0|2,0,0]=4 17537 B17R2.5360 Cc1ccc(c(c1)F)CSc2ccccc2 62a_100011217900_100000041952 [0,2,0,0,0,0|2,0,0]=4 17538 B17R2.5360 Cc1ccc(c(c1)F)CSc2cccnc2 62a_100000210063_100011217900 [0,2,0,0,0,0|2,0,0]=4 17539 B17R2.5360 Cc1ccc(c(c1)F)CSc2cccnc2 62a_100011217900_100000210063 [0,2,0,0,0,0|2,0,0]=4 17540 B17R2.5360 Cc1ccc(c(c1)F)NCc2ccccc2 207a_100000211023_100015611070 [0,2,0,0,0,0|1,0,0]=3 17541 B17R2.5360 Cc1ccc(c(c1)F)NCc2ccccc2 270302a_100000211023_100015611070 [0,2,0,0,0,0|1,0,0]=3 17542 B17R2.5360 Cc1ccc(c(c1)F)NCc2ccccc2 34a_100000211023_100015291786 [0,2,0,0,0,0|1,0,0]=3 17543 B17R2.5360 Cc1ccc(c(c1)F)NCc2ccccn2 207a_100000211023_100000209966 [0,2,0,0,0,0|2,0,0]=4 17544 B17R2.5360 Cc1ccc(c(c1)F)NCc2ccccn2 270302a_100000211023_100000209966 [0,2,0,0,0,0|2,0,0]=4 17545 B17R2.5360 Cc1ccc(c(c1)F)NCc2ccccn2 34a_100000211023_100000721315 [0,2,0,0,0,0|2,0,0]=4 17546 B17R2.5360 Cc1ccc(c(c1)F)NCc2cccnc2 207a_100000211023_100000209961 [0,2,0,0,0,0|0,0,0]=2 17547 B17R2.5360 Cc1ccc(c(c1)F)NCc2cccnc2 270302a_100000211023_100000209961 [0,2,0,0,0,0|0,0,0]=2 17548 B17R2.5360 Cc1ccc(c(c1)F)NCc2cccnc2 34a_100000211023_100000733263 [0,2,0,0,0,0|0,0,0]=2 17549 B17R2.5360 Cc1ccc(c(c1)F)NCc2cccnn2 34a_100000211023_100016990269 [0,2,0,0,0,0|1,0,0]=3 17550 B17R2.5360 Cc1ccc(c(c1)F)NCc2ccncc2 207a_100000211023_100000186114 [0,2,0,0,0,0|2,0,0]=4 17551 B17R2.5360 Cc1ccc(c(c1)F)NCc2ccnnc2 270302a_100000211023_100011934578 [0,2,0,0,0,0|1,0,0]=3 17552 B17R2.5360 Cc1ccc(c(c1)F)NCc2cnccn2 34a_100000211023_100016995436 [0,2,0,0,0,0|1,0,0]=3 17553 B17R2.5360 Cc1ccc(c(c1)F)NCc2cncnc2 270302a_100000211023_100000749868 [0,2,0,0,0,0|1,0,0]=3 17554 B17R2.5360 Cc1ccc(c(c1)F)NCc2cncnc2 34a_100000211023_100015196519 [0,2,0,0,0,0|1,0,0]=3 17555 B17R2.5360 Cc1ccc(c(c1)F)OCc2ccccc2 34a_100011216688_100015291786 [0,2,0,0,0,0|2,0,0]=4 17556 B17R2.5360 Cc1ccc(c(c1)F)OCc2ccccc2 7a_100011216688_100000211182 [0,2,0,0,0,0|2,0,0]=4 17557 B17R2.5360 Cc1ccc(c(c1)F)OCc2cccnc2 34a_100011216688_100000733263 [0,2,0,0,0,0|1,0,0]=3 17558 B17R2.5360 Cc1ccc(c(c1)F)OCc2cccnc2 7a_100011216688_100000741622 [0,2,0,0,0,0|1,0,0]=3 17559 B17R2.5360 Cc1ccc(c(c1)F)OCc2cccnn2 34a_100011216688_100016990269 [0,2,0,0,0,0|2,0,0]=4 17560 B17R2.5360 Cc1ccc(c(c1)F)OCc2cccnn2 7a_100011216688_100016990269 [0,2,0,0,0,0|2,0,0]=4 17561 B17R2.5360 Cc1ccc(c(c1)F)OCc2cnccn2 34a_100011216688_100016995436 [0,2,0,0,0,0|2,0,0]=4 17562 B17R2.5360 Cc1ccc(c(c1)F)OCc2cnccn2 7a_100011216688_100016995436 [0,2,0,0,0,0|2,0,0]=4 17563 B17R2.5360 Cc1ccc(c(c1)F)OCc2cncnc2 34a_100011216688_100015196519 [0,2,0,0,0,0|2,0,0]=4 17564 B17R2.5360 Cc1ccc(c(c1)F)OCc2cncnc2 7a_100011216688_100015196519 [0,2,0,0,0,0|2,0,0]=4 17565 B17R2.5360 Cc1ccc(c(c1)F)SCc2ccccc2 62a_100000211182_100011216119 [0,2,0,0,0,0|2,0,0]=4 17566 B17R2.5360 Cc1ccc(c(c1)F)SCc2ccccc2 62a_100011216119_100015291786 [0,2,0,0,0,0|2,0,0]=4 17567 B17R2.5360 Cc1ccc(c(c1)F)SCc2cccnc2 62a_100000741622_100011216119 [0,2,0,0,0,0|1,0,0]=3 17568 B17R2.5360 Cc1ccc(c(c1)F)SCc2cccnc2 62a_100011216119_100000741622 [0,2,0,0,0,0|1,0,0]=3 17569 B17R2.5360 Cc1ccc(c(c1)F)SCc2cccnn2 62a_100011216119_100016990269 [0,2,0,0,0,0|2,0,0]=4 17570 B17R2.5360 Cc1ccc(c(c1)F)SCc2cccnn2 62a_100016990269_100011216119 [0,2,0,0,0,0|2,0,0]=4 17571 B17R2.5360 Cc1ccc(c(c1)F)SCc2cnccn2 62a_100011216119_100016995436 [0,2,0,0,0,0|2,0,0]=4 17572 B17R2.5360 Cc1ccc(c(c1)F)SCc2cnccn2 62a_100016995436_100011216119 [0,2,0,0,0,0|2,0,0]=4 17573 B17R2.5360 Cc1ccc(c(c1)F)SCc2cncnc2 62a_100011216119_100015196519 [0,2,0,0,0,0|2,0,0]=4 17574 B17R2.5360 Cc1ccc(c(c1)F)SCc2cncnc2 62a_100015196519_100011216119 [0,2,0,0,0,0|2,0,0]=4 17575 B17R2.5360 Cc1ccc(c(c1)I)CNc2ccccc2 207a_100000106764_100010150104 [0,2,0,0,0,0|1,0,0]=3 17576 B17R2.5360 Cc1ccc(c(c1)I)NCc2ccccc2 270302a_100011356834_100015611070 [0,2,0,0,0,0|1,0,0]=3 17577 B17R2.5360 Cc1ccc(c(c1)I)NCc2ccccc2 34a_100011356834_100015291786 [0,2,0,0,0,0|1,0,0]=3 17578 B17R2.5360 Cc1ccc(c(c1)I)NCc2ccccn2 270302a_100011356834_100000209966 [0,2,0,0,0,0|2,0,0]=4 17579 B17R2.5360 Cc1ccc(c(c1)I)NCc2ccccn2 34a_100011356834_100000721315 [0,2,0,0,0,0|2,0,0]=4 17580 B17R2.5360 Cc1ccc(c(c1)I)NCc2cccnc2 270302a_100011356834_100000209961 [0,2,0,0,0,0|0,0,0]=2 17581 B17R2.5360 Cc1ccc(c(c1)I)NCc2cccnc2 34a_100011356834_100000733263 [0,2,0,0,0,0|0,0,0]=2 17582 B17R2.5360 Cc1ccc(c(c1)I)NCc2cccnn2 34a_100011356834_100016990269 [0,2,0,0,0,0|1,0,0]=3 17583 B17R2.5360 Cc1ccc(c(c1)I)NCc2ccnnc2 270302a_100011356834_100011934578 [0,2,0,0,0,0|1,0,0]=3 17584 B17R2.5360 Cc1ccc(c(c1)I)NCc2cnccn2 34a_100011356834_100016995436 [0,2,0,0,0,0|1,0,0]=3 17585 B17R2.5360 Cc1ccc(c(c1)I)NCc2cncnc2 270302a_100011356834_100000749868 [0,2,0,0,0,0|1,0,0]=3 17586 B17R2.5360 Cc1ccc(c(c1)I)NCc2cncnc2 34a_100011356834_100015196519 [0,2,0,0,0,0|1,0,0]=3 17587 B17R2.5360 Cc1ccc(c(c1)I)OCc2ccccc2 34a_100000765521_100015291786 [0,2,0,0,0,0|2,0,0]=4 17588 B17R2.5360 Cc1ccc(c(c1)I)OCc2ccccc2 7a_100000765521_100000211182 [0,2,0,0,0,0|2,0,0]=4 17589 B17R2.5360 Cc1ccc(c(c1)I)OCc2cccnc2 34a_100000765521_100000733263 [0,2,0,0,0,0|1,0,0]=3 17590 B17R2.5360 Cc1ccc(c(c1)I)OCc2cccnc2 7a_100000765521_100000741622 [0,2,0,0,0,0|1,0,0]=3 17591 B17R2.5360 Cc1ccc(c(c1)I)OCc2cccnn2 34a_100000765521_100016990269 [0,2,0,0,0,0|2,0,0]=4 17592 B17R2.5360 Cc1ccc(c(c1)I)OCc2cccnn2 7a_100000765521_100016990269 [0,2,0,0,0,0|2,0,0]=4 17593 B17R2.5360 Cc1ccc(c(c1)I)OCc2cnccn2 34a_100000765521_100016995436 [0,2,0,0,0,0|2,0,0]=4 17594 B17R2.5360 Cc1ccc(c(c1)I)OCc2cnccn2 7a_100000765521_100016995436 [0,2,0,0,0,0|2,0,0]=4 17595 B17R2.5360 Cc1ccc(c(c1)I)OCc2cncnc2 34a_100000765521_100015196519 [0,2,0,0,0,0|2,0,0]=4 17596 B17R2.5360 Cc1ccc(c(c1)I)OCc2cncnc2 7a_100000765521_100015196519 [0,2,0,0,0,0|2,0,0]=4 17597 B17R2.5360 Cc1ccc(c(c1)N)C=Cc2cccnc2 271570a_100102525586_100011216686 [0,2,0,0,0,0|1,0,1]=4 17598 B17R2.5360 Cc1ccc(c(c1)N)OCc2ccccc2 34a_100011215204_100015291786 [0,2,0,0,0,0|2,0,0]=4 17599 B17R2.5360 Cc1ccc(c(c1)N)OCc2ccccc2 7a_100011215204_100000211182 [0,2,0,0,0,0|2,0,0]=4 17600 B17R2.5360 Cc1ccc(c(c1)N)OCc2cccnc2 34a_100011215204_100000733263 [0,2,0,0,0,0|1,0,0]=3 17601 B17R2.5360 Cc1ccc(c(c1)N)OCc2cccnc2 7a_100011215204_100000741622 [0,2,0,0,0,0|1,0,0]=3 17602 B17R2.5360 Cc1ccc(c(c1)N)OCc2cccnn2 34a_100011215204_100016990269 [0,2,0,0,0,0|2,0,0]=4 17603 B17R2.5360 Cc1ccc(c(c1)N)OCc2cccnn2 7a_100011215204_100016990269 [0,2,0,0,0,0|2,0,0]=4 17604 B17R2.5360 Cc1ccc(c(c1)N)OCc2cnccn2 34a_100011215204_100016995436 [0,2,0,0,0,0|2,0,0]=4 17605 B17R2.5360 Cc1ccc(c(c1)N)OCc2cnccn2 7a_100011215204_100016995436 [0,2,0,0,0,0|2,0,0]=4 17606 B17R2.5360 Cc1ccc(c(c1)N)OCc2cncnc2 34a_100011215204_100015196519 [0,2,0,0,0,0|2,0,0]=4 17607 B17R2.5360 Cc1ccc(c(c1)N)OCc2cncnc2 7a_100011215204_100015196519 [0,2,0,0,0,0|2,0,0]=4 17608 B17R2.5360 Cc1ccc(c(c1)N)SCc2ccccc2 62a_100000211182_100011216686 [0,2,0,0,0,0|2,0,0]=4 17609 B17R2.5360 Cc1ccc(c(c1)N)SCc2ccccc2 62a_100011216686_100015291786 [0,2,0,0,0,0|2,0,0]=4 17610 B17R2.5360 Cc1ccc(c(c1)N)SCc2cccnc2 62a_100000741622_100011216686 [0,2,0,0,0,0|1,0,0]=3 17611 B17R2.5360 Cc1ccc(c(c1)N)SCc2cccnc2 62a_100011216686_100000741622 [0,2,0,0,0,0|1,0,0]=3 17612 B17R2.5360 Cc1ccc(c(c1)N)SCc2cccnn2 62a_100011216686_100016990269 [0,2,0,0,0,0|2,0,0]=4 17613 B17R2.5360 Cc1ccc(c(c1)N)SCc2cccnn2 62a_100016990269_100011216686 [0,2,0,0,0,0|2,0,0]=4 17614 B17R2.5360 Cc1ccc(c(c1)N)SCc2cnccn2 62a_100011216686_100016995436 [0,2,0,0,0,0|2,0,0]=4 17615 B17R2.5360 Cc1ccc(c(c1)N)SCc2cnccn2 62a_100016995436_100011216686 [0,2,0,0,0,0|2,0,0]=4 17616 B17R2.5360 Cc1ccc(c(c1)N)SCc2cncnc2 62a_100011216686_100015196519 [0,2,0,0,0,0|2,0,0]=4 17617 B17R2.5360 Cc1ccc(c(c1)N)SCc2cncnc2 62a_100015196519_100011216686 [0,2,0,0,0,0|2,0,0]=4 17618 B17R2.5360 Cc1ccc(c(c1)O)C=Cc2cccnc2 271570a_100102525586_100012002257 [0,2,0,0,0,0|1,0,1]=4 17619 B17R2.5360 Cc1ccc(c(c1)O)NCc2ccccc2 34a_100000211527_100015291786 [0,2,0,0,0,0|1,0,0]=3 17620 B17R2.5360 Cc1ccc(c(c1)O)NCc2ccccn2 34a_100000211527_100000721315 [0,2,0,0,0,0|2,0,0]=4 17621 B17R2.5360 Cc1ccc(c(c1)O)NCc2cccnc2 34a_100000211527_100000733263 [0,2,0,0,0,0|0,0,0]=2 17622 B17R2.5360 Cc1ccc(c(c1)O)NCc2cccnn2 34a_100000211527_100016990269 [0,2,0,0,0,0|1,0,0]=3 17623 B17R2.5360 Cc1ccc(c(c1)O)NCc2cnccn2 34a_100000211527_100016995436 [0,2,0,0,0,0|1,0,0]=3 17624 B17R2.5360 Cc1ccc(c(c1)O)NCc2cncnc2 34a_100000211527_100015196519 [0,2,0,0,0,0|1,0,0]=3 17625 B17R2.5360 Cc1ccc(c(c1)O)OCc2ccccc2 271570a_203496583355_100000151733 [0,2,0,0,0,0|2,0,0]=4 17626 B17R2.5360 Cc1ccc(c(c1)O)SCc2ccccc2 62a_100000211182_100012002257 [0,2,0,0,0,0|2,0,0]=4 17627 B17R2.5360 Cc1ccc(c(c1)O)SCc2ccccc2 62a_100012002257_100015291786 [0,2,0,0,0,0|2,0,0]=4 17628 B17R2.5360 Cc1ccc(c(c1)O)SCc2cccnc2 62a_100000741622_100012002257 [0,2,0,0,0,0|1,0,0]=3 17629 B17R2.5360 Cc1ccc(c(c1)O)SCc2cccnc2 62a_100012002257_100000741622 [0,2,0,0,0,0|1,0,0]=3 17630 B17R2.5360 Cc1ccc(c(c1)O)SCc2cccnn2 62a_100012002257_100016990269 [0,2,0,0,0,0|2,0,0]=4 17631 B17R2.5360 Cc1ccc(c(c1)O)SCc2cccnn2 62a_100016990269_100012002257 [0,2,0,0,0,0|2,0,0]=4 17632 B17R2.5360 Cc1ccc(c(c1)O)SCc2cnccn2 62a_100012002257_100016995436 [0,2,0,0,0,0|2,0,0]=4 17633 B17R2.5360 Cc1ccc(c(c1)O)SCc2cnccn2 62a_100016995436_100012002257 [0,2,0,0,0,0|2,0,0]=4 17634 B17R2.5360 Cc1ccc(c(c1)O)SCc2cncnc2 62a_100012002257_100015196519 [0,2,0,0,0,0|2,0,0]=4 17635 B17R2.5360 Cc1ccc(c(c1)O)SCc2cncnc2 62a_100015196519_100012002257 [0,2,0,0,0,0|2,0,0]=4 17636 B17R2.5360 Cc1ccc(c(n1)Br)CNc2ccccc2 34a_100000106764_200010064658 [0,2,0,0,0,0|0,0,0]=2 17637 B17R2.5360 Cc1ccc(c(n1)Br)COc2ccccc2 34a_100000210340_200010064658 [0,2,0,0,0,0|1,0,0]=3 17638 B17R2.5360 Cc1ccc(c(n1)Br)COc2ccccc2 7a_100000210340_200010064658 [0,2,0,0,0,0|1,0,0]=3 17639 B17R2.5360 Cc1ccc(c(n1)Br)COc2cccnc2 34a_100000210849_200010064658 [0,2,0,0,0,0|2,0,0]=4 17640 B17R2.5360 Cc1ccc(c(n1)Br)COc2cccnc2 7a_100000210849_200010064658 [0,2,0,0,0,0|2,0,0]=4 17641 B17R2.5360 Cc1ccc(c(n1)Br)COc2ccncc2 34a_100000212176_200010064658 [0,2,0,0,0,0|2,0,0]=4 17642 B17R2.5360 Cc1ccc(c(n1)Br)CSc2ccccc2 62a_100000719477_200010064658 [0,2,0,0,0,0|1,0,0]=3 17643 B17R2.5360 Cc1ccc(c(n1)Br)CSc2ccccc2 62a_200010064658_100000041952 [0,2,0,0,0,0|1,0,0]=3 17644 B17R2.5360 Cc1ccc(c(n1)Br)CSc2ccccn2 62a_100011216584_200010064658 [0,2,0,0,0,0|2,0,0]=4 17645 B17R2.5360 Cc1ccc(c(n1)Br)CSc2ccccn2 62a_200010064658_100011216584 [0,2,0,0,0,0|2,0,0]=4 17646 B17R2.5360 Cc1ccc(c(n1)Br)CSc2cccnc2 62a_100000210063_200010064658 [0,2,0,0,0,0|2,0,0]=4 17647 B17R2.5360 Cc1ccc(c(n1)Br)CSc2cccnc2 62a_200010064658_100000210063 [0,2,0,0,0,0|2,0,0]=4 17648 B17R2.5360 Cc1ccc(c(n1)Br)CSc2ccncc2 62a_100000728582_200010064658 [0,2,0,0,0,0|2,0,0]=4 17649 B17R2.5360 Cc1ccc(c(n1)Br)CSc2ccncc2 62a_200010064658_100000728582 [0,2,0,0,0,0|2,0,0]=4 17650 B17R2.5360 Cc1ccc(c(n1)Br)OCc2ccccc2 34a_100000702858_100015291786 [0,2,0,0,0,0|2,0,0]=4 17651 B17R2.5360 Cc1ccc(c(n1)Br)OCc2ccccc2 7a_100000702858_100000211182 [0,2,0,0,0,0|2,0,0]=4 17652 B17R2.5360 Cc1ccc(c(n1)Br)OCc2cccnc2 34a_100000702858_100000733263 [0,2,0,0,0,0|2,0,0]=4 17653 B17R2.5360 Cc1ccc(c(n1)Br)OCc2cccnc2 7a_100000702858_100000741622 [0,2,0,0,0,0|2,0,0]=4 17654 B17R2.5360 Cc1ccc(c(n1)C)C#Cc2ccccc2 271570a_100000069678_100009813853 [0,2,0,0,0,0|1,0,1]=4 17655 B17R2.5360 Cc1ccc(c(n1)C)C=Cc2ccccc2 271570a_100102527694_100009813853 [0,2,0,0,0,0|1,0,1]=4 17656 B17R2.5360 Cc1ccc(c(n1)C)CNc2ccccc2 207a_100000106764_100011794427 [0,2,0,0,0,0|0,0,0]=2 17657 B17R2.5360 Cc1ccc(c(n1)C)CNc2ccccc2 270302a_100000106764_100011794427 [0,2,0,0,0,0|0,0,0]=2 17658 B17R2.5360 Cc1ccc(c(n1)C)OCc2ccccc2 34a_100011218912_100015291786 [0,2,0,0,0,0|2,0,0]=4 17659 B17R2.5360 Cc1ccc(c(n1)C)OCc2ccccc2 7a_100011218912_100000211182 [0,2,0,0,0,0|2,0,0]=4 17660 B17R2.5360 Cc1ccc(c(n1)C)OCc2cccnc2 34a_100011218912_100000733263 [0,2,0,0,0,0|2,0,0]=4 17661 B17R2.5360 Cc1ccc(c(n1)C)OCc2cccnc2 7a_100011218912_100000741622 [0,2,0,0,0,0|2,0,0]=4 17662 B17R2.5360 Cc1ccc(c(n1)C)SCc2ccccc2 62a_100000211182_100009813853 [0,2,0,0,0,0|2,0,0]=4 17663 B17R2.5360 Cc1ccc(c(n1)C)SCc2ccccc2 62a_100009813853_100015291786 [0,2,0,0,0,0|2,0,0]=4 17664 B17R2.5360 Cc1ccc(c(n1)C)SCc2cccnc2 62a_100000741622_100009813853 [0,2,0,0,0,0|2,0,0]=4 17665 B17R2.5360 Cc1ccc(c(n1)C)SCc2cccnc2 62a_100009813853_100000741622 [0,2,0,0,0,0|2,0,0]=4 17666 B17R2.5360 Cc1ccc(c(n1)Cl)OCc2ccccc2 34a_100000086286_100015291786 [0,2,0,0,0,0|2,0,0]=4 17667 B17R2.5360 Cc1ccc(c(n1)Cl)OCc2ccccc2 7a_100000086286_100000211182 [0,2,0,0,0,0|2,0,0]=4 17668 B17R2.5360 Cc1ccc(c(n1)Cl)OCc2cccnc2 34a_100000086286_100000733263 [0,2,0,0,0,0|2,0,0]=4 17669 B17R2.5360 Cc1ccc(c(n1)Cl)OCc2cccnc2 7a_100000086286_100000741622 [0,2,0,0,0,0|2,0,0]=4 17670 B17R2.5360 Cc1ccc(c(n1)F)C#Cc2ccccc2 271570a_100000069678_100010006597 [0,2,0,0,0,0|1,0,1]=4 17671 B17R2.5360 Cc1ccc(c(n1)F)C=Cc2ccccc2 271570a_100102527694_100010006597 [0,2,0,0,0,0|1,0,1]=4 17672 B17R2.5360 Cc1ccc(c(n1)F)OCc2ccccc2 34a_100000079963_100015291786 [0,2,0,0,0,0|2,0,0]=4 17673 B17R2.5360 Cc1ccc(c(n1)F)OCc2ccccc2 7a_100000079963_100000211182 [0,2,0,0,0,0|2,0,0]=4 17674 B17R2.5360 Cc1ccc(c(n1)F)OCc2cccnc2 34a_100000079963_100000733263 [0,2,0,0,0,0|2,0,0]=4 17675 B17R2.5360 Cc1ccc(c(n1)F)OCc2cccnc2 7a_100000079963_100000741622 [0,2,0,0,0,0|2,0,0]=4 17676 B17R2.5360 Cc1ccc(c(n1)F)SCc2ccccc2 62a_100000211182_100010006597 [0,2,0,0,0,0|2,0,0]=4 17677 B17R2.5360 Cc1ccc(c(n1)F)SCc2ccccc2 62a_100010006597_100015291786 [0,2,0,0,0,0|2,0,0]=4 17678 B17R2.5360 Cc1ccc(c(n1)F)SCc2cccnc2 62a_100000741622_100010006597 [0,2,0,0,0,0|2,0,0]=4 17679 B17R2.5360 Cc1ccc(c(n1)F)SCc2cccnc2 62a_100010006597_100000741622 [0,2,0,0,0,0|2,0,0]=4 17680 B17R2.5360 Cc1ccc(c(n1)I)OCc2ccccc2 34a_100000023897_100015291786 [0,2,0,0,0,0|2,0,0]=4 17681 B17R2.5360 Cc1ccc(c(n1)I)OCc2ccccc2 7a_100000023897_100000211182 [0,2,0,0,0,0|2,0,0]=4 17682 B17R2.5360 Cc1ccc(c(n1)I)OCc2cccnc2 34a_100000023897_100000733263 [0,2,0,0,0,0|2,0,0]=4 17683 B17R2.5360 Cc1ccc(c(n1)I)OCc2cccnc2 7a_100000023897_100000741622 [0,2,0,0,0,0|2,0,0]=4 17684 B17R2.5360 Cc1ccc(c(n1)N)C#Cc2ccccc2 271570a_100000069678_100009816662 [0,2,0,0,0,0|1,0,1]=4 17685 B17R2.5360 Cc1ccc(c(n1)N)C=Cc2ccccc2 271570a_100102527694_100009816662 [0,2,0,0,0,0|1,0,1]=4 17686 B17R2.5360 Cc1ccc(c(n1)N)OCc2ccccc2 34a_100000694039_100015291786 [0,2,0,0,0,0|2,0,0]=4 17687 B17R2.5360 Cc1ccc(c(n1)N)OCc2ccccc2 7a_100000694039_100000211182 [0,2,0,0,0,0|2,0,0]=4 17688 B17R2.5360 Cc1ccc(c(n1)N)OCc2cccnc2 34a_100000694039_100000733263 [0,2,0,0,0,0|2,0,0]=4 17689 B17R2.5360 Cc1ccc(c(n1)N)OCc2cccnc2 7a_100000694039_100000741622 [0,2,0,0,0,0|2,0,0]=4 17690 B17R2.5360 Cc1ccc(c(n1)N)SCc2ccccc2 62a_100000211182_100009816662 [0,2,0,0,0,0|2,0,0]=4 17691 B17R2.5360 Cc1ccc(c(n1)N)SCc2ccccc2 62a_100009816662_100015291786 [0,2,0,0,0,0|2,0,0]=4 17692 B17R2.5360 Cc1ccc(c(n1)N)SCc2cccnc2 62a_100000741622_100009816662 [0,2,0,0,0,0|2,0,0]=4 17693 B17R2.5360 Cc1ccc(c(n1)N)SCc2cccnc2 62a_100009816662_100000741622 [0,2,0,0,0,0|2,0,0]=4 17694 B17R2.5360 Cc1ccc(c(n1)O)C#Cc2ccccc2 271570a_100000069678_100009817604 [0,2,0,0,0,0|1,0,1]=4 17695 B17R2.5360 Cc1ccc(c(n1)O)C=Cc2ccccc2 271570a_100102527694_100009817604 [0,2,0,0,0,0|1,0,1]=4 17696 B17R2.5360 Cc1ccc(c(n1)O)SCc2ccccc2 62a_100000211182_100009817604 [0,2,0,0,0,0|2,0,0]=4 17697 B17R2.5360 Cc1ccc(c(n1)O)SCc2ccccc2 62a_100009817604_100015291786 [0,2,0,0,0,0|2,0,0]=4 17698 B17R2.5360 Cc1ccc(c(n1)O)SCc2cccnc2 62a_100000741622_100009817604 [0,2,0,0,0,0|2,0,0]=4 17699 B17R2.5360 Cc1ccc(c(n1)O)SCc2cccnc2 62a_100009817604_100000741622 [0,2,0,0,0,0|2,0,0]=4 17700 B17R2.5360 Cc1cnc(c(c1)Br)OCc2cccnc2 34a_100000719714_100000733263 [0,2,0,0,0,0|2,0,0]=4 17701 B17R2.5360 Cc1cnc(c(c1)C)CNc2ccccc2 34a_100000106764_100016990036 [0,2,0,0,0,0|2,0,0]=4 17702 B17R2.5360 Cc1cnc(c(c1)C)SCc2cccnc2 62a_100000741622_100009864548 [0,2,0,0,0,0|2,0,0]=4 17703 B17R2.5360 Cc1cnc(c(c1)C)SCc2cccnc2 62a_100009864548_100000741622 [0,2,0,0,0,0|2,0,0]=4 17704 B17R2.5360 Cc1cnc(c(c1)F)CNc2ccccc2 207a_100000106764_100009845184 [0,2,0,0,0,0|2,0,0]=4 17705 B17R2.5360 Cc1cnc(c(c1)F)SCc2cccnc2 62a_100000741622_100009819633 [0,2,0,0,0,0|2,0,0]=4 17706 B17R2.5360 Cc1cnc(c(c1)F)SCc2cccnc2 62a_100009819633_100000741622 [0,2,0,0,0,0|2,0,0]=4 17707 B17R2.5360 Cc1cnc(c(c1)N)OCc2cccnc2 34a_100012000488_100000733263 [0,2,0,0,0,0|2,0,0]=4 17708 B17R2.5360 Cc1cnc(c(c1)N)SCc2cccnc2 62a_100000733613_100000741622 [0,2,0,0,0,0|2,0,0]=4 17709 B17R2.5360 Cc1cnc(c(c1)N)SCc2cccnc2 62a_100000741622_100000733613 [0,2,0,0,0,0|2,0,0]=4 17710 B17R2.5360 Cc1cnc(c(c1)O)SCc2cccnc2 62a_100000741622_100012000487 [0,2,0,0,0,0|2,0,0]=4 17711 B17R2.5360 Cc1nc(ccc1C#Cc2ccccc2)Cl 271570a_100000069678_100000062408 [0,2,0,0,0,0|1,0,1]=4 17712 B17R2.5360 Cc1nc(ccc1C#Cc2ccccc2)F 271570a_100000069678_100000688911 [0,2,0,0,0,0|1,0,1]=4 17713 B17R2.5360 Cc1nc(ccc1C#Cc2ccccc2)N 271570a_100000069678_100000013003 [0,2,0,0,0,0|1,0,1]=4 17714 B17R2.5360 Cc1nc(ccc1C#Cc2ccccc2)O 271570a_100000069678_100000691680 [0,2,0,0,0,0|1,0,1]=4 17715 B17R2.5360 Cc1nc(ccc1C=Cc2ccccc2)Cl 271570a_100102527694_100000062408 [0,2,0,0,0,0|1,0,1]=4 17716 B17R2.5360 Cc1nc(ccc1C=Cc2ccccc2)F 271570a_100102527694_100000688911 [0,2,0,0,0,0|1,0,1]=4 17717 B17R2.5360 Cc1nc(ccc1C=Cc2ccccc2)N 271570a_100102527694_100000013003 [0,2,0,0,0,0|1,0,1]=4 17718 B17R2.5360 Cc1nc(ccc1C=Cc2ccccc2)O 271570a_100102527694_100000691680 [0,2,0,0,0,0|1,0,1]=4 17719 B17R2.5360 Cc1nc(ccc1OCc2ccccc2)Br 34a_100012002022_100015291786 [0,2,0,0,0,0|2,0,0]=4 17720 B17R2.5360 Cc1nc(ccc1OCc2ccccc2)Br 7a_100012002022_100000211182 [0,2,0,0,0,0|2,0,0]=4 17721 B17R2.5360 Cc1nc(ccc1OCc2ccccc2)Cl 34a_100012184626_100015291786 [0,2,0,0,0,0|2,0,0]=4 17722 B17R2.5360 Cc1nc(ccc1OCc2ccccc2)Cl 7a_100012184626_100000211182 [0,2,0,0,0,0|2,0,0]=4 17723 B17R2.5360 Cc1nc(ccc1OCc2ccccc2)F 34a_100009881036_100015291786 [0,2,0,0,0,0|2,0,0]=4 17724 B17R2.5360 Cc1nc(ccc1OCc2ccccc2)F 7a_100009881036_100000211182 [0,2,0,0,0,0|2,0,0]=4 17725 B17R2.5360 Cc1nc(ccc1OCc2ccccc2)I 34a_100010233687_100015291786 [0,2,0,0,0,0|2,0,0]=4 17726 B17R2.5360 Cc1nc(ccc1OCc2ccccc2)I 7a_100010233687_100000211182 [0,2,0,0,0,0|2,0,0]=4 17727 B17R2.5360 Cc1nc(ccc1OCc2cccnc2)Br 34a_100012002022_100000733263 [0,2,0,0,0,0|2,0,0]=4 17728 B17R2.5360 Cc1nc(ccc1OCc2cccnc2)Br 7a_100012002022_100000741622 [0,2,0,0,0,0|2,0,0]=4 17729 B17R2.5360 Cc1nc(ccc1OCc2cccnc2)Cl 34a_100012184626_100000733263 [0,2,0,0,0,0|2,0,0]=4 17730 B17R2.5360 Cc1nc(ccc1OCc2cccnc2)Cl 7a_100012184626_100000741622 [0,2,0,0,0,0|2,0,0]=4 17731 B17R2.5360 Cc1nc(ccc1OCc2cccnc2)F 34a_100009881036_100000733263 [0,2,0,0,0,0|2,0,0]=4 17732 B17R2.5360 Cc1nc(ccc1OCc2cccnc2)F 7a_100009881036_100000741622 [0,2,0,0,0,0|2,0,0]=4 17733 B17R2.5360 Cc1nc(ccc1OCc2cccnc2)I 34a_100010233687_100000733263 [0,2,0,0,0,0|2,0,0]=4 17734 B17R2.5360 Cc1nc(ccc1OCc2cccnc2)I 7a_100010233687_100000741622 [0,2,0,0,0,0|2,0,0]=4 17735 B17R2.5360 Cc1nc(ccc1SCc2ccccc2)Cl 62a_100000062408_100015291786 [0,2,0,0,0,0|2,0,0]=4 17736 B17R2.5360 Cc1nc(ccc1SCc2ccccc2)Cl 62a_100000211182_100000062408 [0,2,0,0,0,0|2,0,0]=4 17737 B17R2.5360 Cc1nc(ccc1SCc2ccccc2)F 62a_100000211182_100000688911 [0,2,0,0,0,0|2,0,0]=4 17738 B17R2.5360 Cc1nc(ccc1SCc2ccccc2)F 62a_100000688911_100015291786 [0,2,0,0,0,0|2,0,0]=4 17739 B17R2.5360 Cc1nc(ccc1SCc2ccccc2)N 62a_100000187202_100015291786 [0,2,0,0,0,0|2,0,0]=4 17740 B17R2.5360 Cc1nc(ccc1SCc2ccccc2)N 62a_100000211182_100000187202 [0,2,0,0,0,0|2,0,0]=4 17741 B17R2.5360 Cc1nc(ccc1SCc2ccccc2)O 62a_100000211182_100000691680 [0,2,0,0,0,0|2,0,0]=4 17742 B17R2.5360 Cc1nc(ccc1SCc2ccccc2)O 62a_100000691680_100015291786 [0,2,0,0,0,0|2,0,0]=4 17743 B17R2.5360 Cc1nc(ccc1SCc2cccnc2)Cl 62a_100000062408_100000741622 [0,2,0,0,0,0|2,0,0]=4 17744 B17R2.5360 Cc1nc(ccc1SCc2cccnc2)Cl 62a_100000741622_100000062408 [0,2,0,0,0,0|2,0,0]=4 17745 B17R2.5360 Cc1nc(ccc1SCc2cccnc2)F 62a_100000688911_100000741622 [0,2,0,0,0,0|2,0,0]=4 17746 B17R2.5360 Cc1nc(ccc1SCc2cccnc2)F 62a_100000741622_100000688911 [0,2,0,0,0,0|2,0,0]=4 17747 B17R2.5360 Cc1nc(ccc1SCc2cccnc2)N 62a_100000187202_100000741622 [0,2,0,0,0,0|2,0,0]=4 17748 B17R2.5360 Cc1nc(ccc1SCc2cccnc2)N 62a_100000741622_100000187202 [0,2,0,0,0,0|2,0,0]=4 17749 B17R2.5360 Cc1nc(ccc1SCc2cccnc2)O 62a_100000691680_100000741622 [0,2,0,0,0,0|2,0,0]=4 17750 B17R2.5360 Cc1nc(ccc1SCc2cccnc2)O 62a_100000741622_100000691680 [0,2,0,0,0,0|2,0,0]=4 17751 B17R2.5360 Clc1cc(c(cn1)C#Cc2ccccc2)Cl 271570a_100000069678_100010200927 [0,2,0,0,0,0|1,0,1]=4 17752 B17R2.5360 Clc1cc(c(cn1)C=Cc2ccccc2)Cl 271570a_100102527694_100010200927 [0,2,0,0,0,0|1,0,1]=4 17753 B17R2.5360 Clc1cc(c(cn1)CNc2ccccc2)Cl 34a_100000106764_100011997056 [0,2,0,0,0,0|0,0,0]=2 17754 B17R2.5360 Clc1cc(c(cn1)COc2ccccc2)Cl 34a_100000210340_100011997056 [0,2,0,0,0,0|1,0,0]=3 17755 B17R2.5360 Clc1cc(c(cn1)COc2ccccc2)Cl 7a_100000210340_100011997056 [0,2,0,0,0,0|1,0,0]=3 17756 B17R2.5360 Clc1cc(c(cn1)COc2cccnc2)Cl 34a_100000210849_100011997056 [0,2,0,0,0,0|2,0,0]=4 17757 B17R2.5360 Clc1cc(c(cn1)COc2cccnc2)Cl 7a_100000210849_100011997056 [0,2,0,0,0,0|2,0,0]=4 17758 B17R2.5360 Clc1cc(c(cn1)COc2ccncc2)Cl 34a_100000212176_100011997056 [0,2,0,0,0,0|2,0,0]=4 17759 B17R2.5360 Clc1cc(c(cn1)CSc2ccccc2)Cl 62a_100000719477_100011997056 [0,2,0,0,0,0|1,0,0]=3 17760 B17R2.5360 Clc1cc(c(cn1)CSc2ccccc2)Cl 62a_100011997056_100000041952 [0,2,0,0,0,0|1,0,0]=3 17761 B17R2.5360 Clc1cc(c(cn1)CSc2ccccn2)Cl 62a_100011216584_100011997056 [0,2,0,0,0,0|2,0,0]=4 17762 B17R2.5360 Clc1cc(c(cn1)CSc2ccccn2)Cl 62a_100011997056_100011216584 [0,2,0,0,0,0|2,0,0]=4 17763 B17R2.5360 Clc1cc(c(cn1)CSc2cccnc2)Cl 62a_100000210063_100011997056 [0,2,0,0,0,0|2,0,0]=4 17764 B17R2.5360 Clc1cc(c(cn1)CSc2cccnc2)Cl 62a_100011997056_100000210063 [0,2,0,0,0,0|2,0,0]=4 17765 B17R2.5360 Clc1cc(c(cn1)CSc2ccncc2)Cl 62a_100000728582_100011997056 [0,2,0,0,0,0|2,0,0]=4 17766 B17R2.5360 Clc1cc(c(cn1)CSc2ccncc2)Cl 62a_100011997056_100000728582 [0,2,0,0,0,0|2,0,0]=4 17767 B17R2.5360 Clc1cc(c(cn1)OCc2ccccc2)Cl 34a_100009868576_100015291786 [0,2,0,0,0,0|2,0,0]=4 17768 B17R2.5360 Clc1cc(c(cn1)OCc2ccccc2)Cl 7a_100009868576_100000211182 [0,2,0,0,0,0|2,0,0]=4 17769 B17R2.5360 Clc1cc(c(cn1)OCc2ccccc2)I 34a_100000698892_100015291786 [0,2,0,0,0,0|2,0,0]=4 17770 B17R2.5360 Clc1cc(c(cn1)OCc2ccccc2)I 7a_100000698892_100000211182 [0,2,0,0,0,0|2,0,0]=4 17771 B17R2.5360 Clc1cc(c(cn1)OCc2cccnc2)Cl 34a_100009868576_100000733263 [0,2,0,0,0,0|2,0,0]=4 17772 B17R2.5360 Clc1cc(c(cn1)OCc2cccnc2)Cl 7a_100009868576_100000741622 [0,2,0,0,0,0|2,0,0]=4 17773 B17R2.5360 Clc1cc(c(cn1)OCc2cccnc2)I 34a_100000698892_100000733263 [0,2,0,0,0,0|2,0,0]=4 17774 B17R2.5360 Clc1cc(c(cn1)OCc2cccnc2)I 7a_100000698892_100000741622 [0,2,0,0,0,0|2,0,0]=4 17775 B17R2.5360 Clc1cc(c(cn1)SCc2ccccc2)Cl 62a_100000211182_100010200927 [0,2,0,0,0,0|2,0,0]=4 17776 B17R2.5360 Clc1cc(c(cn1)SCc2ccccc2)Cl 62a_100010200927_100015291786 [0,2,0,0,0,0|2,0,0]=4 17777 B17R2.5360 Clc1cc(c(cn1)SCc2cccnc2)Cl 62a_100000741622_100010200927 [0,2,0,0,0,0|2,0,0]=4 17778 B17R2.5360 Clc1cc(c(cn1)SCc2cccnc2)Cl 62a_100010200927_100000741622 [0,2,0,0,0,0|2,0,0]=4 17779 B17R2.5360 Clc1cc(ccc1C=Cc2cccnc2)Br 271570a_100102525586_100011216062 [0,2,0,0,0,0|1,0,1]=4 17780 B17R2.5360 Clc1cc(ccc1CNc2ccccc2)Br 207a_100000106764_100000764164 [0,2,0,0,0,0|1,0,0]=3 17781 B17R2.5360 Clc1cc(ccc1CNc2ccccc2)Br 270302a_100000106764_100000764164 [0,2,0,0,0,0|1,0,0]=3 17782 B17R2.5360 Clc1cc(ccc1CNc2ccccc2)Br 34a_100000106764_100011740631 [0,2,0,0,0,0|1,0,0]=3 17783 B17R2.5360 Clc1cc(ccc1CNc2ccccc2)I 207a_100000106764_100000727542 [0,2,0,0,0,0|1,0,0]=3 17784 B17R2.5360 Clc1cc(ccc1COc2ccccc2)Br 34a_100000210340_100011740631 [0,2,0,0,0,0|2,0,0]=4 17785 B17R2.5360 Clc1cc(ccc1COc2ccccc2)Br 7a_100000210340_100011740631 [0,2,0,0,0,0|2,0,0]=4 17786 B17R2.5360 Clc1cc(ccc1COc2cccnc2)Br 34a_100000210849_100011740631 [0,2,0,0,0,0|2,0,0]=4 17787 B17R2.5360 Clc1cc(ccc1COc2cccnc2)Br 7a_100000210849_100011740631 [0,2,0,0,0,0|2,0,0]=4 17788 B17R2.5360 Clc1cc(ccc1CSc2ccccc2)Br 62a_100000719477_100011740631 [0,2,0,0,0,0|2,0,0]=4 17789 B17R2.5360 Clc1cc(ccc1CSc2ccccc2)Br 62a_100011740631_100000041952 [0,2,0,0,0,0|2,0,0]=4 17790 B17R2.5360 Clc1cc(ccc1CSc2cccnc2)Br 62a_100000210063_100011740631 [0,2,0,0,0,0|2,0,0]=4 17791 B17R2.5360 Clc1cc(ccc1CSc2cccnc2)Br 62a_100011740631_100000210063 [0,2,0,0,0,0|2,0,0]=4 17792 B17R2.5360 Clc1cc(ccc1NCc2ccccc2)Br 270302a_100000211467_100015611070 [0,2,0,0,0,0|1,0,0]=3 17793 B17R2.5360 Clc1cc(ccc1NCc2ccccc2)Br 34a_100000211467_100015291786 [0,2,0,0,0,0|1,0,0]=3 17794 B17R2.5360 Clc1cc(ccc1NCc2ccccc2)I 270302a_100011218065_100015611070 [0,2,0,0,0,0|1,0,0]=3 17795 B17R2.5360 Clc1cc(ccc1NCc2ccccc2)I 34a_100011218065_100015291786 [0,2,0,0,0,0|1,0,0]=3 17796 B17R2.5360 Clc1cc(ccc1NCc2ccccn2)Br 270302a_100000211467_100000209966 [0,2,0,0,0,0|2,0,0]=4 17797 B17R2.5360 Clc1cc(ccc1NCc2ccccn2)Br 34a_100000211467_100000721315 [0,2,0,0,0,0|2,0,0]=4 17798 B17R2.5360 Clc1cc(ccc1NCc2ccccn2)I 270302a_100011218065_100000209966 [0,2,0,0,0,0|2,0,0]=4 17799 B17R2.5360 Clc1cc(ccc1NCc2ccccn2)I 34a_100011218065_100000721315 [0,2,0,0,0,0|2,0,0]=4 17800 B17R2.5360 Clc1cc(ccc1NCc2cccnc2)Br 270302a_100000211467_100000209961 [0,2,0,0,0,0|0,0,0]=2 17801 B17R2.5360 Clc1cc(ccc1NCc2cccnc2)Br 34a_100000211467_100000733263 [0,2,0,0,0,0|0,0,0]=2 17802 B17R2.5360 Clc1cc(ccc1NCc2cccnc2)I 270302a_100011218065_100000209961 [0,2,0,0,0,0|0,0,0]=2 17803 B17R2.5360 Clc1cc(ccc1NCc2cccnc2)I 34a_100011218065_100000733263 [0,2,0,0,0,0|0,0,0]=2 17804 B17R2.5360 Clc1cc(ccc1NCc2cccnn2)Br 34a_100000211467_100016990269 [0,2,0,0,0,0|1,0,0]=3 17805 B17R2.5360 Clc1cc(ccc1NCc2cccnn2)I 34a_100011218065_100016990269 [0,2,0,0,0,0|1,0,0]=3 17806 B17R2.5360 Clc1cc(ccc1NCc2ccnnc2)Br 270302a_100000211467_100011934578 [0,2,0,0,0,0|1,0,0]=3 17807 B17R2.5360 Clc1cc(ccc1NCc2ccnnc2)I 270302a_100011218065_100011934578 [0,2,0,0,0,0|1,0,0]=3 17808 B17R2.5360 Clc1cc(ccc1NCc2cnccn2)Br 34a_100000211467_100016995436 [0,2,0,0,0,0|1,0,0]=3 17809 B17R2.5360 Clc1cc(ccc1NCc2cnccn2)I 34a_100011218065_100016995436 [0,2,0,0,0,0|1,0,0]=3 17810 B17R2.5360 Clc1cc(ccc1NCc2cncnc2)Br 270302a_100000211467_100000749868 [0,2,0,0,0,0|1,0,0]=3 17811 B17R2.5360 Clc1cc(ccc1NCc2cncnc2)Br 34a_100000211467_100015196519 [0,2,0,0,0,0|1,0,0]=3 17812 B17R2.5360 Clc1cc(ccc1NCc2cncnc2)I 270302a_100011218065_100000749868 [0,2,0,0,0,0|1,0,0]=3 17813 B17R2.5360 Clc1cc(ccc1NCc2cncnc2)I 34a_100011218065_100015196519 [0,2,0,0,0,0|1,0,0]=3 17814 B17R2.5360 Clc1cc(ccc1OCc2ccccc2)Br 34a_100000186472_100015291786 [0,2,0,0,0,0|2,0,0]=4 17815 B17R2.5360 Clc1cc(ccc1OCc2ccccc2)Br 7a_100000186472_100000211182 [0,2,0,0,0,0|2,0,0]=4 17816 B17R2.5360 Clc1cc(ccc1OCc2ccccc2)I 34a_100012360047_100015291786 [0,2,0,0,0,0|2,0,0]=4 17817 B17R2.5360 Clc1cc(ccc1OCc2ccccc2)I 7a_100012360047_100000211182 [0,2,0,0,0,0|2,0,0]=4 17818 B17R2.5360 Clc1cc(ccc1OCc2cccnc2)Br 34a_100000186472_100000733263 [0,2,0,0,0,0|1,0,0]=3 17819 B17R2.5360 Clc1cc(ccc1OCc2cccnc2)Br 7a_100000186472_100000741622 [0,2,0,0,0,0|1,0,0]=3 17820 B17R2.5360 Clc1cc(ccc1OCc2cccnc2)I 34a_100012360047_100000733263 [0,2,0,0,0,0|1,0,0]=3 17821 B17R2.5360 Clc1cc(ccc1OCc2cccnc2)I 7a_100012360047_100000741622 [0,2,0,0,0,0|1,0,0]=3 17822 B17R2.5360 Clc1cc(ccc1OCc2cccnn2)Br 34a_100000186472_100016990269 [0,2,0,0,0,0|2,0,0]=4 17823 B17R2.5360 Clc1cc(ccc1OCc2cccnn2)Br 7a_100000186472_100016990269 [0,2,0,0,0,0|2,0,0]=4 17824 B17R2.5360 Clc1cc(ccc1OCc2cccnn2)I 34a_100012360047_100016990269 [0,2,0,0,0,0|2,0,0]=4 17825 B17R2.5360 Clc1cc(ccc1OCc2cccnn2)I 7a_100012360047_100016990269 [0,2,0,0,0,0|2,0,0]=4 17826 B17R2.5360 Clc1cc(ccc1OCc2cnccn2)Br 34a_100000186472_100016995436 [0,2,0,0,0,0|2,0,0]=4 17827 B17R2.5360 Clc1cc(ccc1OCc2cnccn2)Br 7a_100000186472_100016995436 [0,2,0,0,0,0|2,0,0]=4 17828 B17R2.5360 Clc1cc(ccc1OCc2cnccn2)I 34a_100012360047_100016995436 [0,2,0,0,0,0|2,0,0]=4 17829 B17R2.5360 Clc1cc(ccc1OCc2cnccn2)I 7a_100012360047_100016995436 [0,2,0,0,0,0|2,0,0]=4 17830 B17R2.5360 Clc1cc(ccc1OCc2cncnc2)Br 34a_100000186472_100015196519 [0,2,0,0,0,0|2,0,0]=4 17831 B17R2.5360 Clc1cc(ccc1OCc2cncnc2)Br 7a_100000186472_100015196519 [0,2,0,0,0,0|2,0,0]=4 17832 B17R2.5360 Clc1cc(ccc1OCc2cncnc2)I 34a_100012360047_100015196519 [0,2,0,0,0,0|2,0,0]=4 17833 B17R2.5360 Clc1cc(ccc1OCc2cncnc2)I 7a_100012360047_100015196519 [0,2,0,0,0,0|2,0,0]=4 17834 B17R2.5360 Clc1cc(ccc1SCc2ccccc2)Br 62a_100000211182_100011216062 [0,2,0,0,0,0|2,0,0]=4 17835 B17R2.5360 Clc1cc(ccc1SCc2ccccc2)Br 62a_100011216062_100015291786 [0,2,0,0,0,0|2,0,0]=4 17836 B17R2.5360 Clc1cc(ccc1SCc2cccnc2)Br 62a_100000741622_100011216062 [0,2,0,0,0,0|1,0,0]=3 17837 B17R2.5360 Clc1cc(ccc1SCc2cccnc2)Br 62a_100011216062_100000741622 [0,2,0,0,0,0|1,0,0]=3 17838 B17R2.5360 Clc1cc(ccc1SCc2cccnn2)Br 62a_100011216062_100016990269 [0,2,0,0,0,0|2,0,0]=4 17839 B17R2.5360 Clc1cc(ccc1SCc2cccnn2)Br 62a_100016990269_100011216062 [0,2,0,0,0,0|2,0,0]=4 17840 B17R2.5360 Clc1cc(ccc1SCc2cnccn2)Br 62a_100011216062_100016995436 [0,2,0,0,0,0|2,0,0]=4 17841 B17R2.5360 Clc1cc(ccc1SCc2cnccn2)Br 62a_100016995436_100011216062 [0,2,0,0,0,0|2,0,0]=4 17842 B17R2.5360 Clc1cc(ccc1SCc2cncnc2)Br 62a_100011216062_100015196519 [0,2,0,0,0,0|2,0,0]=4 17843 B17R2.5360 Clc1cc(ccc1SCc2cncnc2)Br 62a_100015196519_100011216062 [0,2,0,0,0,0|2,0,0]=4 17844 B17R2.5360 Clc1cc(cnc1CNc2ccccc2)Br 207a_100000106764_100009814801 [0,2,0,0,0,0|2,0,0]=4 17845 B17R2.5360 Clc1cc(cnc1OCc2cccnc2)Br 34a_100012339560_100000733263 [0,2,0,0,0,0|2,0,0]=4 17846 B17R2.5360 Clc1cc(ncc1C#Cc2ccccc2)Br 271570a_100000069678_100010381092 [0,2,0,0,0,0|1,0,1]=4 17847 B17R2.5360 Clc1cc(ncc1C=Cc2ccccc2)Br 271570a_100102527694_100010381092 [0,2,0,0,0,0|1,0,1]=4 17848 B17R2.5360 Clc1cc(ncc1SCc2ccccc2)Br 62a_100000211182_100010381092 [0,2,0,0,0,0|2,0,0]=4 17849 B17R2.5360 Clc1cc(ncc1SCc2ccccc2)Br 62a_100010381092_100015291786 [0,2,0,0,0,0|2,0,0]=4 17850 B17R2.5360 Clc1cc(ncc1SCc2cccnc2)Br 62a_100000741622_100010381092 [0,2,0,0,0,0|2,0,0]=4 17851 B17R2.5360 Clc1cc(ncc1SCc2cccnc2)Br 62a_100010381092_100000741622 [0,2,0,0,0,0|2,0,0]=4 17852 B17R2.5360 Clc1ccc(c(c1)Br)C=Cc2cccnc2 271570a_100102525586_100011219703 [0,2,0,0,0,0|1,0,1]=4 17853 B17R2.5360 Clc1ccc(c(c1)Br)CNc2ccccc2 207a_100000106764_100000687667 [0,2,0,0,0,0|1,0,0]=3 17854 B17R2.5360 Clc1ccc(c(c1)Br)CNc2ccccc2 270302a_100000106764_100000687667 [0,2,0,0,0,0|1,0,0]=3 17855 B17R2.5360 Clc1ccc(c(c1)Br)CNc2ccccc2 34a_100000106764_100000755608 [0,2,0,0,0,0|1,0,0]=3 17856 B17R2.5360 Clc1ccc(c(c1)Br)COc2ccccc2 34a_100000210340_100000755608 [0,2,0,0,0,0|2,0,0]=4 17857 B17R2.5360 Clc1ccc(c(c1)Br)COc2ccccc2 7a_100000210340_100000755608 [0,2,0,0,0,0|2,0,0]=4 17858 B17R2.5360 Clc1ccc(c(c1)Br)COc2cccnc2 34a_100000210849_100000755608 [0,2,0,0,0,0|2,0,0]=4 17859 B17R2.5360 Clc1ccc(c(c1)Br)COc2cccnc2 7a_100000210849_100000755608 [0,2,0,0,0,0|2,0,0]=4 17860 B17R2.5360 Clc1ccc(c(c1)Br)CSc2ccccc2 62a_100000719477_100000755608 [0,2,0,0,0,0|2,0,0]=4 17861 B17R2.5360 Clc1ccc(c(c1)Br)CSc2ccccc2 62a_100000755608_100000041952 [0,2,0,0,0,0|2,0,0]=4 17862 B17R2.5360 Clc1ccc(c(c1)Br)CSc2cccnc2 62a_100000210063_100000755608 [0,2,0,0,0,0|2,0,0]=4 17863 B17R2.5360 Clc1ccc(c(c1)Br)CSc2cccnc2 62a_100000755608_100000210063 [0,2,0,0,0,0|2,0,0]=4 17864 B17R2.5360 Clc1ccc(c(c1)Br)NCc2ccccc2 34a_100000752454_100015291786 [0,2,0,0,0,0|1,0,0]=3 17865 B17R2.5360 Clc1ccc(c(c1)Br)NCc2ccccn2 34a_100000752454_100000721315 [0,2,0,0,0,0|2,0,0]=4 17866 B17R2.5360 Clc1ccc(c(c1)Br)NCc2cccnc2 34a_100000752454_100000733263 [0,2,0,0,0,0|0,0,0]=2 17867 B17R2.5360 Clc1ccc(c(c1)Br)NCc2cccnn2 34a_100000752454_100016990269 [0,2,0,0,0,0|1,0,0]=3 17868 B17R2.5360 Clc1ccc(c(c1)Br)NCc2cnccn2 34a_100000752454_100016995436 [0,2,0,0,0,0|1,0,0]=3 17869 B17R2.5360 Clc1ccc(c(c1)Br)NCc2cncnc2 34a_100000752454_100015196519 [0,2,0,0,0,0|1,0,0]=3 17870 B17R2.5360 Clc1ccc(c(c1)Br)OCc2ccccc2 34a_100000211998_100015291786 [0,2,0,0,0,0|2,0,0]=4 17871 B17R2.5360 Clc1ccc(c(c1)Br)OCc2ccccc2 7a_100000211998_100000211182 [0,2,0,0,0,0|2,0,0]=4 17872 B17R2.5360 Clc1ccc(c(c1)Br)OCc2cccnc2 34a_100000211998_100000733263 [0,2,0,0,0,0|1,0,0]=3 17873 B17R2.5360 Clc1ccc(c(c1)Br)OCc2cccnc2 7a_100000211998_100000741622 [0,2,0,0,0,0|1,0,0]=3 17874 B17R2.5360 Clc1ccc(c(c1)Br)OCc2cccnn2 34a_100000211998_100016990269 [0,2,0,0,0,0|2,0,0]=4 17875 B17R2.5360 Clc1ccc(c(c1)Br)OCc2cccnn2 7a_100000211998_100016990269 [0,2,0,0,0,0|2,0,0]=4 17876 B17R2.5360 Clc1ccc(c(c1)Br)OCc2cnccn2 34a_100000211998_100016995436 [0,2,0,0,0,0|2,0,0]=4 17877 B17R2.5360 Clc1ccc(c(c1)Br)OCc2cnccn2 7a_100000211998_100016995436 [0,2,0,0,0,0|2,0,0]=4 17878 B17R2.5360 Clc1ccc(c(c1)Br)OCc2cncnc2 34a_100000211998_100015196519 [0,2,0,0,0,0|2,0,0]=4 17879 B17R2.5360 Clc1ccc(c(c1)Br)OCc2cncnc2 7a_100000211998_100015196519 [0,2,0,0,0,0|2,0,0]=4 17880 B17R2.5360 Clc1ccc(c(c1)Br)SCc2ccccc2 62a_100000211182_100011219703 [0,2,0,0,0,0|2,0,0]=4 17881 B17R2.5360 Clc1ccc(c(c1)Br)SCc2ccccc2 62a_100011219703_100015291786 [0,2,0,0,0,0|2,0,0]=4 17882 B17R2.5360 Clc1ccc(c(c1)Br)SCc2cccnc2 62a_100000741622_100011219703 [0,2,0,0,0,0|1,0,0]=3 17883 B17R2.5360 Clc1ccc(c(c1)Br)SCc2cccnc2 62a_100011219703_100000741622 [0,2,0,0,0,0|1,0,0]=3 17884 B17R2.5360 Clc1ccc(c(c1)Br)SCc2cccnn2 62a_100011219703_100016990269 [0,2,0,0,0,0|2,0,0]=4 17885 B17R2.5360 Clc1ccc(c(c1)Br)SCc2cccnn2 62a_100016990269_100011219703 [0,2,0,0,0,0|2,0,0]=4 17886 B17R2.5360 Clc1ccc(c(c1)Br)SCc2cnccn2 62a_100011219703_100016995436 [0,2,0,0,0,0|2,0,0]=4 17887 B17R2.5360 Clc1ccc(c(c1)Br)SCc2cnccn2 62a_100016995436_100011219703 [0,2,0,0,0,0|2,0,0]=4 17888 B17R2.5360 Clc1ccc(c(c1)Br)SCc2cncnc2 62a_100011219703_100015196519 [0,2,0,0,0,0|2,0,0]=4 17889 B17R2.5360 Clc1ccc(c(c1)Br)SCc2cncnc2 62a_100015196519_100011219703 [0,2,0,0,0,0|2,0,0]=4 17890 B17R2.5360 Clc1ccc(c(c1)Cl)C=Cc2cccnc2 271570a_100102525586_100000699841 [0,2,0,0,0,0|1,0,1]=4 17891 B17R2.5360 Clc1ccc(c(c1)Cl)CNc2ccccc2 207a_100000106764_100000188887 [0,2,0,0,0,0|1,0,0]=3 17892 B17R2.5360 Clc1ccc(c(c1)Cl)CNc2ccccc2 270302a_100000106764_100000188887 [0,2,0,0,0,0|1,0,0]=3 17893 B17R2.5360 Clc1ccc(c(c1)Cl)CNc2ccccc2 34a_100000106764_100000188473 [0,2,0,0,0,0|1,0,0]=3 17894 B17R2.5360 Clc1ccc(c(c1)Cl)COc2ccccc2 34a_100000210340_100000188473 [0,2,0,0,0,0|2,0,0]=4 17895 B17R2.5360 Clc1ccc(c(c1)Cl)COc2ccccc2 7a_100000210340_100000188473 [0,2,0,0,0,0|2,0,0]=4 17896 B17R2.5360 Clc1ccc(c(c1)Cl)COc2cccnc2 34a_100000210849_100000188473 [0,2,0,0,0,0|2,0,0]=4 17897 B17R2.5360 Clc1ccc(c(c1)Cl)COc2cccnc2 7a_100000210849_100000188473 [0,2,0,0,0,0|2,0,0]=4 17898 B17R2.5360 Clc1ccc(c(c1)Cl)CSc2ccccc2 62a_100000188473_100000041952 [0,2,0,0,0,0|2,0,0]=4 17899 B17R2.5360 Clc1ccc(c(c1)Cl)CSc2ccccc2 62a_100000719477_100000188473 [0,2,0,0,0,0|2,0,0]=4 17900 B17R2.5360 Clc1ccc(c(c1)Cl)CSc2cccnc2 62a_100000188473_100000210063 [0,2,0,0,0,0|2,0,0]=4 17901 B17R2.5360 Clc1ccc(c(c1)Cl)CSc2cccnc2 62a_100000210063_100000188473 [0,2,0,0,0,0|2,0,0]=4 17902 B17R2.5360 Clc1ccc(c(c1)Cl)NCc2ccccc2 270302a_100000185861_100015611070 [0,2,0,0,0,0|1,0,0]=3 17903 B17R2.5360 Clc1ccc(c(c1)Cl)NCc2ccccc2 34a_100000185861_100015291786 [0,2,0,0,0,0|1,0,0]=3 17904 B17R2.5360 Clc1ccc(c(c1)Cl)NCc2ccccn2 270302a_100000185861_100000209966 [0,2,0,0,0,0|2,0,0]=4 17905 B17R2.5360 Clc1ccc(c(c1)Cl)NCc2ccccn2 34a_100000185861_100000721315 [0,2,0,0,0,0|2,0,0]=4 17906 B17R2.5360 Clc1ccc(c(c1)Cl)NCc2cccnc2 270302a_100000185861_100000209961 [0,2,0,0,0,0|0,0,0]=2 17907 B17R2.5360 Clc1ccc(c(c1)Cl)NCc2cccnc2 34a_100000185861_100000733263 [0,2,0,0,0,0|0,0,0]=2 17908 B17R2.5360 Clc1ccc(c(c1)Cl)NCc2cccnn2 34a_100000185861_100016990269 [0,2,0,0,0,0|1,0,0]=3 17909 B17R2.5360 Clc1ccc(c(c1)Cl)NCc2ccnnc2 270302a_100000185861_100011934578 [0,2,0,0,0,0|1,0,0]=3 17910 B17R2.5360 Clc1ccc(c(c1)Cl)NCc2cnccn2 34a_100000185861_100016995436 [0,2,0,0,0,0|1,0,0]=3 17911 B17R2.5360 Clc1ccc(c(c1)Cl)NCc2cncnc2 270302a_100000185861_100000749868 [0,2,0,0,0,0|1,0,0]=3 17912 B17R2.5360 Clc1ccc(c(c1)Cl)NCc2cncnc2 34a_100000185861_100015196519 [0,2,0,0,0,0|1,0,0]=3 17913 B17R2.5360 Clc1ccc(c(c1)Cl)OCc2ccccc2 34a_100015191787_100015291786 [0,2,0,0,0,0|2,0,0]=4 17914 B17R2.5360 Clc1ccc(c(c1)Cl)OCc2ccccc2 7a_100015191787_100000211182 [0,2,0,0,0,0|2,0,0]=4 17915 B17R2.5360 Clc1ccc(c(c1)Cl)OCc2cccnc2 34a_100015191787_100000733263 [0,2,0,0,0,0|1,0,0]=3 17916 B17R2.5360 Clc1ccc(c(c1)Cl)OCc2cccnc2 7a_100015191787_100000741622 [0,2,0,0,0,0|1,0,0]=3 17917 B17R2.5360 Clc1ccc(c(c1)Cl)OCc2cccnn2 34a_100015191787_100016990269 [0,2,0,0,0,0|2,0,0]=4 17918 B17R2.5360 Clc1ccc(c(c1)Cl)OCc2cccnn2 7a_100015191787_100016990269 [0,2,0,0,0,0|2,0,0]=4 17919 B17R2.5360 Clc1ccc(c(c1)Cl)OCc2cnccn2 34a_100015191787_100016995436 [0,2,0,0,0,0|2,0,0]=4 17920 B17R2.5360 Clc1ccc(c(c1)Cl)OCc2cnccn2 7a_100015191787_100016995436 [0,2,0,0,0,0|2,0,0]=4 17921 B17R2.5360 Clc1ccc(c(c1)Cl)OCc2cncnc2 34a_100015191787_100015196519 [0,2,0,0,0,0|2,0,0]=4 17922 B17R2.5360 Clc1ccc(c(c1)Cl)OCc2cncnc2 7a_100015191787_100015196519 [0,2,0,0,0,0|2,0,0]=4 17923 B17R2.5360 Clc1ccc(c(c1)Cl)SCc2ccccc2 62a_100000211182_100000699841 [0,2,0,0,0,0|2,0,0]=4 17924 B17R2.5360 Clc1ccc(c(c1)Cl)SCc2ccccc2 62a_100000699841_100015291786 [0,2,0,0,0,0|2,0,0]=4 17925 B17R2.5360 Clc1ccc(c(c1)Cl)SCc2cccnc2 62a_100000699841_100000741622 [0,2,0,0,0,0|1,0,0]=3 17926 B17R2.5360 Clc1ccc(c(c1)Cl)SCc2cccnc2 62a_100000741622_100000699841 [0,2,0,0,0,0|1,0,0]=3 17927 B17R2.5360 Clc1ccc(c(c1)Cl)SCc2cccnn2 62a_100000699841_100016990269 [0,2,0,0,0,0|2,0,0]=4 17928 B17R2.5360 Clc1ccc(c(c1)Cl)SCc2cccnn2 62a_100016990269_100000699841 [0,2,0,0,0,0|2,0,0]=4 17929 B17R2.5360 Clc1ccc(c(c1)Cl)SCc2cnccn2 62a_100000699841_100016995436 [0,2,0,0,0,0|2,0,0]=4 17930 B17R2.5360 Clc1ccc(c(c1)Cl)SCc2cnccn2 62a_100016995436_100000699841 [0,2,0,0,0,0|2,0,0]=4 17931 B17R2.5360 Clc1ccc(c(c1)Cl)SCc2cncnc2 62a_100000699841_100015196519 [0,2,0,0,0,0|2,0,0]=4 17932 B17R2.5360 Clc1ccc(c(c1)Cl)SCc2cncnc2 62a_100015196519_100000699841 [0,2,0,0,0,0|2,0,0]=4 17933 B17R2.5360 Clc1ccc(c(c1)I)CNc2ccccc2 34a_100000106764_100010254388 [0,2,0,0,0,0|1,0,0]=3 17934 B17R2.5360 Clc1ccc(c(c1)I)COc2ccccc2 34a_100000210340_100010254388 [0,2,0,0,0,0|2,0,0]=4 17935 B17R2.5360 Clc1ccc(c(c1)I)COc2ccccc2 7a_100000210340_100010254388 [0,2,0,0,0,0|2,0,0]=4 17936 B17R2.5360 Clc1ccc(c(c1)I)COc2cccnc2 34a_100000210849_100010254388 [0,2,0,0,0,0|2,0,0]=4 17937 B17R2.5360 Clc1ccc(c(c1)I)COc2cccnc2 7a_100000210849_100010254388 [0,2,0,0,0,0|2,0,0]=4 17938 B17R2.5360 Clc1ccc(c(c1)I)CSc2ccccc2 62a_100000719477_100010254388 [0,2,0,0,0,0|2,0,0]=4 17939 B17R2.5360 Clc1ccc(c(c1)I)CSc2ccccc2 62a_100010254388_100000041952 [0,2,0,0,0,0|2,0,0]=4 17940 B17R2.5360 Clc1ccc(c(c1)I)CSc2cccnc2 62a_100000210063_100010254388 [0,2,0,0,0,0|2,0,0]=4 17941 B17R2.5360 Clc1ccc(c(c1)I)CSc2cccnc2 62a_100010254388_100000210063 [0,2,0,0,0,0|2,0,0]=4 17942 B17R2.5360 Clc1ccc(c(c1)I)NCc2ccccc2 34a_100000761889_100015291786 [0,2,0,0,0,0|1,0,0]=3 17943 B17R2.5360 Clc1ccc(c(c1)I)NCc2ccccn2 34a_100000761889_100000721315 [0,2,0,0,0,0|2,0,0]=4 17944 B17R2.5360 Clc1ccc(c(c1)I)NCc2cccnc2 34a_100000761889_100000733263 [0,2,0,0,0,0|0,0,0]=2 17945 B17R2.5360 Clc1ccc(c(c1)I)NCc2cccnn2 34a_100000761889_100016990269 [0,2,0,0,0,0|1,0,0]=3 17946 B17R2.5360 Clc1ccc(c(c1)I)NCc2cnccn2 34a_100000761889_100016995436 [0,2,0,0,0,0|1,0,0]=3 17947 B17R2.5360 Clc1ccc(c(c1)I)NCc2cncnc2 34a_100000761889_100015196519 [0,2,0,0,0,0|1,0,0]=3 17948 B17R2.5360 Clc1ccc(c(c1)I)OCc2ccccc2 34a_100011356953_100015291786 [0,2,0,0,0,0|2,0,0]=4 17949 B17R2.5360 Clc1ccc(c(c1)I)OCc2ccccc2 7a_100011356953_100000211182 [0,2,0,0,0,0|2,0,0]=4 17950 B17R2.5360 Clc1ccc(c(c1)I)OCc2cccnc2 34a_100011356953_100000733263 [0,2,0,0,0,0|1,0,0]=3 17951 B17R2.5360 Clc1ccc(c(c1)I)OCc2cccnc2 7a_100011356953_100000741622 [0,2,0,0,0,0|1,0,0]=3 17952 B17R2.5360 Clc1ccc(c(c1)I)OCc2cccnn2 34a_100011356953_100016990269 [0,2,0,0,0,0|2,0,0]=4 17953 B17R2.5360 Clc1ccc(c(c1)I)OCc2cccnn2 7a_100011356953_100016990269 [0,2,0,0,0,0|2,0,0]=4 17954 B17R2.5360 Clc1ccc(c(c1)I)OCc2cnccn2 34a_100011356953_100016995436 [0,2,0,0,0,0|2,0,0]=4 17955 B17R2.5360 Clc1ccc(c(c1)I)OCc2cnccn2 7a_100011356953_100016995436 [0,2,0,0,0,0|2,0,0]=4 17956 B17R2.5360 Clc1ccc(c(c1)I)OCc2cncnc2 34a_100011356953_100015196519 [0,2,0,0,0,0|2,0,0]=4 17957 B17R2.5360 Clc1ccc(c(c1)I)OCc2cncnc2 7a_100011356953_100015196519 [0,2,0,0,0,0|2,0,0]=4 17958 B17R2.5360 Clc1ccc(c(n1)Br)OCc2ccccc2 34a_100010219353_100015291786 [0,2,0,0,0,0|2,0,0]=4 17959 B17R2.5360 Clc1ccc(c(n1)Br)OCc2ccccc2 7a_100010219353_100000211182 [0,2,0,0,0,0|2,0,0]=4 17960 B17R2.5360 Clc1ccc(c(n1)Br)OCc2cccnc2 34a_100010219353_100000733263 [0,2,0,0,0,0|2,0,0]=4 17961 B17R2.5360 Clc1ccc(c(n1)Br)OCc2cccnc2 7a_100010219353_100000741622 [0,2,0,0,0,0|2,0,0]=4 17962 B17R2.5360 Clc1ccc(c(n1)Cl)CNc2ccccc2 34a_100000106764_100000722033 [0,2,0,0,0,0|0,0,0]=2 17963 B17R2.5360 Clc1ccc(c(n1)Cl)COc2ccccc2 34a_100000210340_100000722033 [0,2,0,0,0,0|1,0,0]=3 17964 B17R2.5360 Clc1ccc(c(n1)Cl)COc2ccccc2 7a_100000210340_100000722033 [0,2,0,0,0,0|1,0,0]=3 17965 B17R2.5360 Clc1ccc(c(n1)Cl)COc2cccnc2 34a_100000210849_100000722033 [0,2,0,0,0,0|2,0,0]=4 17966 B17R2.5360 Clc1ccc(c(n1)Cl)COc2cccnc2 7a_100000210849_100000722033 [0,2,0,0,0,0|2,0,0]=4 17967 B17R2.5360 Clc1ccc(c(n1)Cl)COc2ccncc2 34a_100000212176_100000722033 [0,2,0,0,0,0|2,0,0]=4 17968 B17R2.5360 Clc1ccc(c(n1)Cl)CSc2ccccc2 62a_100000719477_100000722033 [0,2,0,0,0,0|1,0,0]=3 17969 B17R2.5360 Clc1ccc(c(n1)Cl)CSc2ccccc2 62a_100000722033_100000041952 [0,2,0,0,0,0|1,0,0]=3 17970 B17R2.5360 Clc1ccc(c(n1)Cl)CSc2ccccn2 62a_100000722033_100011216584 [0,2,0,0,0,0|2,0,0]=4 17971 B17R2.5360 Clc1ccc(c(n1)Cl)CSc2ccccn2 62a_100011216584_100000722033 [0,2,0,0,0,0|2,0,0]=4 17972 B17R2.5360 Clc1ccc(c(n1)Cl)CSc2cccnc2 62a_100000210063_100000722033 [0,2,0,0,0,0|2,0,0]=4 17973 B17R2.5360 Clc1ccc(c(n1)Cl)CSc2cccnc2 62a_100000722033_100000210063 [0,2,0,0,0,0|2,0,0]=4 17974 B17R2.5360 Clc1ccc(c(n1)Cl)CSc2ccncc2 62a_100000722033_100000728582 [0,2,0,0,0,0|2,0,0]=4 17975 B17R2.5360 Clc1ccc(c(n1)Cl)CSc2ccncc2 62a_100000728582_100000722033 [0,2,0,0,0,0|2,0,0]=4 17976 B17R2.5360 Clc1ccc(c(n1)Cl)OCc2ccccc2 34a_100000101165_100015291786 [0,2,0,0,0,0|2,0,0]=4 17977 B17R2.5360 Clc1ccc(c(n1)Cl)OCc2ccccc2 7a_100000101165_100000211182 [0,2,0,0,0,0|2,0,0]=4 17978 B17R2.5360 Clc1ccc(c(n1)Cl)OCc2cccnc2 34a_100000101165_100000733263 [0,2,0,0,0,0|2,0,0]=4 17979 B17R2.5360 Clc1ccc(c(n1)Cl)OCc2cccnc2 7a_100000101165_100000741622 [0,2,0,0,0,0|2,0,0]=4 17980 B17R2.5360 Clc1ccc(c(n1)Cl)SCc2ccccc2 62a_100000211182_100000043682 [0,2,0,0,0,0|2,0,0]=4 17981 B17R2.5360 Clc1ccc(c(n1)Cl)SCc2cccnc2 62a_100000741622_100000043682 [0,2,0,0,0,0|2,0,0]=4 17982 B17R2.5360 Clc1ccc(c(n1)I)OCc2ccccc2 34a_100000696390_100015291786 [0,2,0,0,0,0|2,0,0]=4 17983 B17R2.5360 Clc1ccc(c(n1)I)OCc2ccccc2 7a_100000696390_100000211182 [0,2,0,0,0,0|2,0,0]=4 17984 B17R2.5360 Clc1ccc(c(n1)I)OCc2cccnc2 34a_100000696390_100000733263 [0,2,0,0,0,0|2,0,0]=4 17985 B17R2.5360 Clc1ccc(c(n1)I)OCc2cccnc2 7a_100000696390_100000741622 [0,2,0,0,0,0|2,0,0]=4 17986 B17R2.5360 Clc1cnc(c(c1)Br)CNc2ccccc2 207a_100000106764_100010064872 [0,2,0,0,0,0|2,0,0]=4 17987 B17R2.5360 Clc1cnc(c(c1)Br)SCc2cccnc2 62a_100000741622_100012154958 [0,2,0,0,0,0|2,0,0]=4 17988 B17R2.5360 Clc1cnc(c(c1)Br)SCc2cccnc2 62a_100012154958_100000741622 [0,2,0,0,0,0|2,0,0]=4 17989 B17R2.5360 Clc1cnc(c(c1)Cl)CNc2ccccc2 207a_100000106764_100011361609 [0,2,0,0,0,0|2,0,0]=4 17990 B17R2.5360 Clc1cnc(c(c1)Cl)CNc2ccccc2 270302a_100000106764_100011361609 [0,2,0,0,0,0|2,0,0]=4 17991 B17R2.5360 Clc1nc(ccc1C#Cc2ccccc2)Br 271570a_100000069678_100010246183 [0,2,0,0,0,0|1,0,1]=4 17992 B17R2.5360 Clc1nc(ccc1C=Cc2ccccc2)Br 271570a_100102527694_100010246183 [0,2,0,0,0,0|1,0,1]=4 17993 B17R2.5360 Clc1nc(ccc1OCc2ccccc2)Br 34a_100010246206_100015291786 [0,2,0,0,0,0|2,0,0]=4 17994 B17R2.5360 Clc1nc(ccc1OCc2ccccc2)Br 7a_100010246206_100000211182 [0,2,0,0,0,0|2,0,0]=4 17995 B17R2.5360 Clc1nc(ccc1OCc2ccccc2)I 34a_100000721234_100015291786 [0,2,0,0,0,0|2,0,0]=4 17996 B17R2.5360 Clc1nc(ccc1OCc2ccccc2)I 7a_100000721234_100000211182 [0,2,0,0,0,0|2,0,0]=4 17997 B17R2.5360 Clc1nc(ccc1OCc2cccnc2)Br 34a_100010246206_100000733263 [0,2,0,0,0,0|2,0,0]=4 17998 B17R2.5360 Clc1nc(ccc1OCc2cccnc2)Br 7a_100010246206_100000741622 [0,2,0,0,0,0|2,0,0]=4 17999 B17R2.5360 Clc1nc(ccc1OCc2cccnc2)I 34a_100000721234_100000733263 [0,2,0,0,0,0|2,0,0]=4 18000 B17R2.5360 Clc1nc(ccc1OCc2cccnc2)I 7a_100000721234_100000741622 [0,2,0,0,0,0|2,0,0]=4 18001 B17R2.5360 Clc1nc(ccc1SCc2ccccc2)Br 62a_100000211182_100010246183 [0,2,0,0,0,0|2,0,0]=4 18002 B17R2.5360 Clc1nc(ccc1SCc2ccccc2)Br 62a_100010246183_100015291786 [0,2,0,0,0,0|2,0,0]=4 18003 B17R2.5360 Clc1nc(ccc1SCc2cccnc2)Br 62a_100000741622_100010246183 [0,2,0,0,0,0|2,0,0]=4 18004 B17R2.5360 Clc1nc(ccc1SCc2cccnc2)Br 62a_100010246183_100000741622 [0,2,0,0,0,0|2,0,0]=4 18005 B17R2.5360 Clc1ncc(c(n1)Cl)CNc2ccccc2 34a_100000106764_100000071240 [0,2,0,0,0,0|1,0,0]=3 18006 B17R2.5360 Clc1ncc(c(n1)Cl)COc2ccccc2 34a_100000210340_100000071240 [0,2,0,0,0,0|2,0,0]=4 18007 B17R2.5360 Clc1ncc(c(n1)Cl)COc2ccccc2 7a_100000210340_100010163647 [0,2,0,0,0,0|2,0,0]=4 18008 B17R2.5360 Clc1ncc(c(n1)Cl)CSc2ccccc2 62a_100000071240_100000041952 [0,2,0,0,0,0|2,0,0]=4 18009 B17R2.5360 Clc1ncc(c(n1)Cl)CSc2ccccc2 62a_100000719477_100000071240 [0,2,0,0,0,0|2,0,0]=4 18010 B17R2.5360 Fc1cc(c(cn1)C#Cc2ccccc2)Br 271570a_100000069678_100015451857 [0,2,0,0,0,0|1,0,1]=4 18011 B17R2.5360 Fc1cc(c(cn1)C=Cc2ccccc2)Br 271570a_100102527694_100015451857 [0,2,0,0,0,0|1,0,1]=4 18012 B17R2.5360 Fc1cc(c(cn1)OCc2ccccc2)F 34a_100009885687_100015291786 [0,2,0,0,0,0|2,0,0]=4 18013 B17R2.5360 Fc1cc(c(cn1)OCc2ccccc2)F 7a_100009885687_100000211182 [0,2,0,0,0,0|2,0,0]=4 18014 B17R2.5360 Fc1cc(c(cn1)OCc2cccnc2)F 34a_100009885687_100000733263 [0,2,0,0,0,0|2,0,0]=4 18015 B17R2.5360 Fc1cc(c(cn1)OCc2cccnc2)F 7a_100009885687_100000741622 [0,2,0,0,0,0|2,0,0]=4 18016 B17R2.5360 Fc1cc(c(cn1)SCc2ccccc2)Br 62a_100000211182_100015451857 [0,2,0,0,0,0|2,0,0]=4 18017 B17R2.5360 Fc1cc(c(cn1)SCc2ccccc2)Br 62a_100015451857_100015291786 [0,2,0,0,0,0|2,0,0]=4 18018 B17R2.5360 Fc1cc(c(cn1)SCc2cccnc2)Br 62a_100000741622_100015451857 [0,2,0,0,0,0|2,0,0]=4 18019 B17R2.5360 Fc1cc(c(cn1)SCc2cccnc2)Br 62a_100015451857_100000741622 [0,2,0,0,0,0|2,0,0]=4 18020 B17R2.5360 Fc1cc(ccc1C=Cc2cccnc2)Br 271570a_100102525586_100009814013 [0,2,0,0,0,0|1,0,1]=4 18021 B17R2.5360 Fc1cc(ccc1C=Cc2cccnc2)Cl 271570a_100102525586_100011216042 [0,2,0,0,0,0|1,0,1]=4 18022 B17R2.5360 Fc1cc(ccc1CNc2ccccc2)Br 207a_100000106764_100000211676 [0,2,0,0,0,0|1,0,0]=3 18023 B17R2.5360 Fc1cc(ccc1CNc2ccccc2)Br 270302a_100000106764_100000211676 [0,2,0,0,0,0|1,0,0]=3 18024 B17R2.5360 Fc1cc(ccc1CNc2ccccc2)Br 34a_100000106764_100000211606 [0,2,0,0,0,0|1,0,0]=3 18025 B17R2.5360 Fc1cc(ccc1CNc2ccccc2)Cl 207a_100000106764_100000697372 [0,2,0,0,0,0|1,0,0]=3 18026 B17R2.5360 Fc1cc(ccc1CNc2ccccc2)Cl 270302a_100000106764_100000697372 [0,2,0,0,0,0|1,0,0]=3 18027 B17R2.5360 Fc1cc(ccc1CNc2ccccc2)Cl 34a_100000106764_100000709361 [0,2,0,0,0,0|1,0,0]=3 18028 B17R2.5360 Fc1cc(ccc1CNc2ccccc2)I 207a_100000106764_100000050965 [0,2,0,0,0,0|1,0,0]=3 18029 B17R2.5360 Fc1cc(ccc1CNc2ccccc2)I 34a_100000106764_100010244991 [0,2,0,0,0,0|1,0,0]=3 18030 B17R2.5360 Fc1cc(ccc1COc2ccccc2)Br 34a_100000210340_100000211606 [0,2,0,0,0,0|2,0,0]=4 18031 B17R2.5360 Fc1cc(ccc1COc2ccccc2)Br 7a_100000210340_100000211606 [0,2,0,0,0,0|2,0,0]=4 18032 B17R2.5360 Fc1cc(ccc1COc2ccccc2)Cl 34a_100000210340_100000709361 [0,2,0,0,0,0|2,0,0]=4 18033 B17R2.5360 Fc1cc(ccc1COc2ccccc2)Cl 7a_100000210340_100000709361 [0,2,0,0,0,0|2,0,0]=4 18034 B17R2.5360 Fc1cc(ccc1COc2ccccc2)I 34a_100000210340_100010244991 [0,2,0,0,0,0|2,0,0]=4 18035 B17R2.5360 Fc1cc(ccc1COc2ccccc2)I 7a_100000210340_100010244991 [0,2,0,0,0,0|2,0,0]=4 18036 B17R2.5360 Fc1cc(ccc1COc2cccnc2)Br 34a_100000210849_100000211606 [0,2,0,0,0,0|2,0,0]=4 18037 B17R2.5360 Fc1cc(ccc1COc2cccnc2)Br 7a_100000210849_100000211606 [0,2,0,0,0,0|2,0,0]=4 18038 B17R2.5360 Fc1cc(ccc1COc2cccnc2)Cl 34a_100000210849_100000709361 [0,2,0,0,0,0|2,0,0]=4 18039 B17R2.5360 Fc1cc(ccc1COc2cccnc2)Cl 7a_100000210849_100000709361 [0,2,0,0,0,0|2,0,0]=4 18040 B17R2.5360 Fc1cc(ccc1COc2cccnc2)I 34a_100000210849_100010244991 [0,2,0,0,0,0|2,0,0]=4 18041 B17R2.5360 Fc1cc(ccc1COc2cccnc2)I 7a_100000210849_100010244991 [0,2,0,0,0,0|2,0,0]=4 18042 B17R2.5360 Fc1cc(ccc1CSc2ccccc2)Br 62a_100000211606_100000041952 [0,2,0,0,0,0|2,0,0]=4 18043 B17R2.5360 Fc1cc(ccc1CSc2ccccc2)Br 62a_100000719477_100000211606 [0,2,0,0,0,0|2,0,0]=4 18044 B17R2.5360 Fc1cc(ccc1CSc2ccccc2)Cl 62a_100000709361_100000041952 [0,2,0,0,0,0|2,0,0]=4 18045 B17R2.5360 Fc1cc(ccc1CSc2ccccc2)Cl 62a_100000719477_100000709361 [0,2,0,0,0,0|2,0,0]=4 18046 B17R2.5360 Fc1cc(ccc1CSc2ccccc2)I 62a_100000719477_100010244991 [0,2,0,0,0,0|2,0,0]=4 18047 B17R2.5360 Fc1cc(ccc1CSc2ccccc2)I 62a_100010244991_100000041952 [0,2,0,0,0,0|2,0,0]=4 18048 B17R2.5360 Fc1cc(ccc1CSc2cccnc2)Br 62a_100000210063_100000211606 [0,2,0,0,0,0|2,0,0]=4 18049 B17R2.5360 Fc1cc(ccc1CSc2cccnc2)Br 62a_100000211606_100000210063 [0,2,0,0,0,0|2,0,0]=4 18050 B17R2.5360 Fc1cc(ccc1CSc2cccnc2)Cl 62a_100000210063_100000709361 [0,2,0,0,0,0|2,0,0]=4 18051 B17R2.5360 Fc1cc(ccc1CSc2cccnc2)Cl 62a_100000709361_100000210063 [0,2,0,0,0,0|2,0,0]=4 18052 B17R2.5360 Fc1cc(ccc1CSc2cccnc2)I 62a_100000210063_100010244991 [0,2,0,0,0,0|2,0,0]=4 18053 B17R2.5360 Fc1cc(ccc1CSc2cccnc2)I 62a_100010244991_100000210063 [0,2,0,0,0,0|2,0,0]=4 18054 B17R2.5360 Fc1cc(ccc1NCc2ccccc2)Br 207a_100000210722_100015611070 [0,2,0,0,0,0|1,0,0]=3 18055 B17R2.5360 Fc1cc(ccc1NCc2ccccc2)Br 270302a_100000210722_100015611070 [0,2,0,0,0,0|1,0,0]=3 18056 B17R2.5360 Fc1cc(ccc1NCc2ccccc2)Br 34a_100000210722_100015291786 [0,2,0,0,0,0|1,0,0]=3 18057 B17R2.5360 Fc1cc(ccc1NCc2ccccc2)Cl 207a_100000211020_100015611070 [0,2,0,0,0,0|1,0,0]=3 18058 B17R2.5360 Fc1cc(ccc1NCc2ccccc2)Cl 270302a_100000211020_100015611070 [0,2,0,0,0,0|1,0,0]=3 18059 B17R2.5360 Fc1cc(ccc1NCc2ccccc2)Cl 34a_100000211020_100015291786 [0,2,0,0,0,0|1,0,0]=3 18060 B17R2.5360 Fc1cc(ccc1NCc2ccccc2)I 207a_100011215594_100015611070 [0,2,0,0,0,0|1,0,0]=3 18061 B17R2.5360 Fc1cc(ccc1NCc2ccccc2)I 270302a_100011215594_100015611070 [0,2,0,0,0,0|1,0,0]=3 18062 B17R2.5360 Fc1cc(ccc1NCc2ccccc2)I 34a_100011215594_100015291786 [0,2,0,0,0,0|1,0,0]=3 18063 B17R2.5360 Fc1cc(ccc1NCc2ccccn2)Br 207a_100000210722_100000209966 [0,2,0,0,0,0|2,0,0]=4 18064 B17R2.5360 Fc1cc(ccc1NCc2ccccn2)Br 270302a_100000210722_100000209966 [0,2,0,0,0,0|2,0,0]=4 18065 B17R2.5360 Fc1cc(ccc1NCc2ccccn2)Br 34a_100000210722_100000721315 [0,2,0,0,0,0|2,0,0]=4 18066 B17R2.5360 Fc1cc(ccc1NCc2ccccn2)Cl 207a_100000211020_100000209966 [0,2,0,0,0,0|2,0,0]=4 18067 B17R2.5360 Fc1cc(ccc1NCc2ccccn2)Cl 270302a_100000211020_100000209966 [0,2,0,0,0,0|2,0,0]=4 18068 B17R2.5360 Fc1cc(ccc1NCc2ccccn2)Cl 34a_100000211020_100000721315 [0,2,0,0,0,0|2,0,0]=4 18069 B17R2.5360 Fc1cc(ccc1NCc2ccccn2)I 207a_100011215594_100000209966 [0,2,0,0,0,0|2,0,0]=4 18070 B17R2.5360 Fc1cc(ccc1NCc2ccccn2)I 270302a_100011215594_100000209966 [0,2,0,0,0,0|2,0,0]=4 18071 B17R2.5360 Fc1cc(ccc1NCc2ccccn2)I 34a_100011215594_100000721315 [0,2,0,0,0,0|2,0,0]=4 18072 B17R2.5360 Fc1cc(ccc1NCc2cccnc2)Br 207a_100000210722_100000209961 [0,2,0,0,0,0|0,0,0]=2 18073 B17R2.5360 Fc1cc(ccc1NCc2cccnc2)Br 270302a_100000210722_100000209961 [0,2,0,0,0,0|0,0,0]=2 18074 B17R2.5360 Fc1cc(ccc1NCc2cccnc2)Br 34a_100000210722_100000733263 [0,2,0,0,0,0|0,0,0]=2 18075 B17R2.5360 Fc1cc(ccc1NCc2cccnc2)Cl 207a_100000211020_100000209961 [0,2,0,0,0,0|0,0,0]=2 18076 B17R2.5360 Fc1cc(ccc1NCc2cccnc2)Cl 270302a_100000211020_100000209961 [0,2,0,0,0,0|0,0,0]=2 18077 B17R2.5360 Fc1cc(ccc1NCc2cccnc2)Cl 34a_100000211020_100000733263 [0,2,0,0,0,0|0,0,0]=2 18078 B17R2.5360 Fc1cc(ccc1NCc2cccnc2)I 207a_100011215594_100000209961 [0,2,0,0,0,0|0,0,0]=2 18079 B17R2.5360 Fc1cc(ccc1NCc2cccnc2)I 270302a_100011215594_100000209961 [0,2,0,0,0,0|0,0,0]=2 18080 B17R2.5360 Fc1cc(ccc1NCc2cccnc2)I 34a_100011215594_100000733263 [0,2,0,0,0,0|0,0,0]=2 18081 B17R2.5360 Fc1cc(ccc1NCc2cccnn2)Br 34a_100000210722_100016990269 [0,2,0,0,0,0|1,0,0]=3 18082 B17R2.5360 Fc1cc(ccc1NCc2cccnn2)Cl 34a_100000211020_100016990269 [0,2,0,0,0,0|1,0,0]=3 18083 B17R2.5360 Fc1cc(ccc1NCc2cccnn2)I 34a_100011215594_100016990269 [0,2,0,0,0,0|1,0,0]=3 18084 B17R2.5360 Fc1cc(ccc1NCc2ccncc2)Br 207a_100000210722_100000186114 [0,2,0,0,0,0|2,0,0]=4 18085 B17R2.5360 Fc1cc(ccc1NCc2ccncc2)Cl 207a_100000211020_100000186114 [0,2,0,0,0,0|2,0,0]=4 18086 B17R2.5360 Fc1cc(ccc1NCc2ccncc2)I 207a_100011215594_100000186114 [0,2,0,0,0,0|2,0,0]=4 18087 B17R2.5360 Fc1cc(ccc1NCc2ccnnc2)Br 270302a_100000210722_100011934578 [0,2,0,0,0,0|1,0,0]=3 18088 B17R2.5360 Fc1cc(ccc1NCc2ccnnc2)Cl 270302a_100000211020_100011934578 [0,2,0,0,0,0|1,0,0]=3 18089 B17R2.5360 Fc1cc(ccc1NCc2ccnnc2)I 270302a_100011215594_100011934578 [0,2,0,0,0,0|1,0,0]=3 18090 B17R2.5360 Fc1cc(ccc1NCc2cnccn2)Br 34a_100000210722_100016995436 [0,2,0,0,0,0|1,0,0]=3 18091 B17R2.5360 Fc1cc(ccc1NCc2cnccn2)Cl 34a_100000211020_100016995436 [0,2,0,0,0,0|1,0,0]=3 18092 B17R2.5360 Fc1cc(ccc1NCc2cnccn2)I 34a_100011215594_100016995436 [0,2,0,0,0,0|1,0,0]=3 18093 B17R2.5360 Fc1cc(ccc1NCc2cncnc2)Br 270302a_100000210722_100000749868 [0,2,0,0,0,0|1,0,0]=3 18094 B17R2.5360 Fc1cc(ccc1NCc2cncnc2)Br 34a_100000210722_100015196519 [0,2,0,0,0,0|1,0,0]=3 18095 B17R2.5360 Fc1cc(ccc1NCc2cncnc2)Cl 270302a_100000211020_100000749868 [0,2,0,0,0,0|1,0,0]=3 18096 B17R2.5360 Fc1cc(ccc1NCc2cncnc2)Cl 34a_100000211020_100015196519 [0,2,0,0,0,0|1,0,0]=3 18097 B17R2.5360 Fc1cc(ccc1NCc2cncnc2)I 270302a_100011215594_100000749868 [0,2,0,0,0,0|1,0,0]=3 18098 B17R2.5360 Fc1cc(ccc1NCc2cncnc2)I 34a_100011215594_100015196519 [0,2,0,0,0,0|1,0,0]=3 18099 B17R2.5360 Fc1cc(ccc1OCc2ccccc2)Br 34a_100000185481_100015291786 [0,2,0,0,0,0|2,0,0]=4 18100 B17R2.5360 Fc1cc(ccc1OCc2ccccc2)Br 7a_100000185481_100000211182 [0,2,0,0,0,0|2,0,0]=4 18101 B17R2.5360 Fc1cc(ccc1OCc2ccccc2)Cl 34a_100000230166_100015291786 [0,2,0,0,0,0|2,0,0]=4 18102 B17R2.5360 Fc1cc(ccc1OCc2ccccc2)Cl 7a_100000230166_100000211182 [0,2,0,0,0,0|2,0,0]=4 18103 B17R2.5360 Fc1cc(ccc1OCc2ccccc2)I 34a_100011356965_100015291786 [0,2,0,0,0,0|2,0,0]=4 18104 B17R2.5360 Fc1cc(ccc1OCc2ccccc2)I 7a_100011356965_100000211182 [0,2,0,0,0,0|2,0,0]=4 18105 B17R2.5360 Fc1cc(ccc1OCc2cccnc2)Br 34a_100000185481_100000733263 [0,2,0,0,0,0|1,0,0]=3 18106 B17R2.5360 Fc1cc(ccc1OCc2cccnc2)Br 7a_100000185481_100000741622 [0,2,0,0,0,0|1,0,0]=3 18107 B17R2.5360 Fc1cc(ccc1OCc2cccnc2)Cl 34a_100000230166_100000733263 [0,2,0,0,0,0|1,0,0]=3 18108 B17R2.5360 Fc1cc(ccc1OCc2cccnc2)Cl 7a_100000230166_100000741622 [0,2,0,0,0,0|1,0,0]=3 18109 B17R2.5360 Fc1cc(ccc1OCc2cccnc2)I 34a_100011356965_100000733263 [0,2,0,0,0,0|1,0,0]=3 18110 B17R2.5360 Fc1cc(ccc1OCc2cccnc2)I 7a_100011356965_100000741622 [0,2,0,0,0,0|1,0,0]=3 18111 B17R2.5360 Fc1cc(ccc1OCc2cccnn2)Br 34a_100000185481_100016990269 [0,2,0,0,0,0|2,0,0]=4 18112 B17R2.5360 Fc1cc(ccc1OCc2cccnn2)Br 7a_100000185481_100016990269 [0,2,0,0,0,0|2,0,0]=4 18113 B17R2.5360 Fc1cc(ccc1OCc2cccnn2)Cl 34a_100000230166_100016990269 [0,2,0,0,0,0|2,0,0]=4 18114 B17R2.5360 Fc1cc(ccc1OCc2cccnn2)Cl 7a_100000230166_100016990269 [0,2,0,0,0,0|2,0,0]=4 18115 B17R2.5360 Fc1cc(ccc1OCc2cccnn2)I 34a_100011356965_100016990269 [0,2,0,0,0,0|2,0,0]=4 18116 B17R2.5360 Fc1cc(ccc1OCc2cccnn2)I 7a_100011356965_100016990269 [0,2,0,0,0,0|2,0,0]=4 18117 B17R2.5360 Fc1cc(ccc1OCc2cnccn2)Br 34a_100000185481_100016995436 [0,2,0,0,0,0|2,0,0]=4 18118 B17R2.5360 Fc1cc(ccc1OCc2cnccn2)Br 7a_100000185481_100016995436 [0,2,0,0,0,0|2,0,0]=4 18119 B17R2.5360 Fc1cc(ccc1OCc2cnccn2)Cl 34a_100000230166_100016995436 [0,2,0,0,0,0|2,0,0]=4 18120 B17R2.5360 Fc1cc(ccc1OCc2cnccn2)Cl 7a_100000230166_100016995436 [0,2,0,0,0,0|2,0,0]=4 18121 B17R2.5360 Fc1cc(ccc1OCc2cnccn2)I 34a_100011356965_100016995436 [0,2,0,0,0,0|2,0,0]=4 18122 B17R2.5360 Fc1cc(ccc1OCc2cnccn2)I 7a_100011356965_100016995436 [0,2,0,0,0,0|2,0,0]=4 18123 B17R2.5360 Fc1cc(ccc1OCc2cncnc2)Br 34a_100000185481_100015196519 [0,2,0,0,0,0|2,0,0]=4 18124 B17R2.5360 Fc1cc(ccc1OCc2cncnc2)Br 7a_100000185481_100015196519 [0,2,0,0,0,0|2,0,0]=4 18125 B17R2.5360 Fc1cc(ccc1OCc2cncnc2)Cl 34a_100000230166_100015196519 [0,2,0,0,0,0|2,0,0]=4 18126 B17R2.5360 Fc1cc(ccc1OCc2cncnc2)Cl 7a_100000230166_100015196519 [0,2,0,0,0,0|2,0,0]=4 18127 B17R2.5360 Fc1cc(ccc1OCc2cncnc2)I 34a_100011356965_100015196519 [0,2,0,0,0,0|2,0,0]=4 18128 B17R2.5360 Fc1cc(ccc1OCc2cncnc2)I 7a_100011356965_100015196519 [0,2,0,0,0,0|2,0,0]=4 18129 B17R2.5360 Fc1cc(ccc1SCc2ccccc2)Br 62a_100000211182_100009814013 [0,2,0,0,0,0|2,0,0]=4 18130 B17R2.5360 Fc1cc(ccc1SCc2ccccc2)Br 62a_100009814013_100015291786 [0,2,0,0,0,0|2,0,0]=4 18131 B17R2.5360 Fc1cc(ccc1SCc2ccccc2)Cl 62a_100000211182_100011216042 [0,2,0,0,0,0|2,0,0]=4 18132 B17R2.5360 Fc1cc(ccc1SCc2ccccc2)Cl 62a_100011216042_100015291786 [0,2,0,0,0,0|2,0,0]=4 18133 B17R2.5360 Fc1cc(ccc1SCc2cccnc2)Br 62a_100000741622_100009814013 [0,2,0,0,0,0|1,0,0]=3 18134 B17R2.5360 Fc1cc(ccc1SCc2cccnc2)Br 62a_100009814013_100000741622 [0,2,0,0,0,0|1,0,0]=3 18135 B17R2.5360 Fc1cc(ccc1SCc2cccnc2)Cl 62a_100000741622_100011216042 [0,2,0,0,0,0|1,0,0]=3 18136 B17R2.5360 Fc1cc(ccc1SCc2cccnc2)Cl 62a_100011216042_100000741622 [0,2,0,0,0,0|1,0,0]=3 18137 B17R2.5360 Fc1cc(ccc1SCc2cccnn2)Br 62a_100009814013_100016990269 [0,2,0,0,0,0|2,0,0]=4 18138 B17R2.5360 Fc1cc(ccc1SCc2cccnn2)Br 62a_100016990269_100009814013 [0,2,0,0,0,0|2,0,0]=4 18139 B17R2.5360 Fc1cc(ccc1SCc2cccnn2)Cl 62a_100011216042_100016990269 [0,2,0,0,0,0|2,0,0]=4 18140 B17R2.5360 Fc1cc(ccc1SCc2cccnn2)Cl 62a_100016990269_100011216042 [0,2,0,0,0,0|2,0,0]=4 18141 B17R2.5360 Fc1cc(ccc1SCc2cnccn2)Br 62a_100009814013_100016995436 [0,2,0,0,0,0|2,0,0]=4 18142 B17R2.5360 Fc1cc(ccc1SCc2cnccn2)Br 62a_100016995436_100009814013 [0,2,0,0,0,0|2,0,0]=4 18143 B17R2.5360 Fc1cc(ccc1SCc2cnccn2)Cl 62a_100011216042_100016995436 [0,2,0,0,0,0|2,0,0]=4 18144 B17R2.5360 Fc1cc(ccc1SCc2cnccn2)Cl 62a_100016995436_100011216042 [0,2,0,0,0,0|2,0,0]=4 18145 B17R2.5360 Fc1cc(ccc1SCc2cncnc2)Br 62a_100009814013_100015196519 [0,2,0,0,0,0|2,0,0]=4 18146 B17R2.5360 Fc1cc(ccc1SCc2cncnc2)Br 62a_100015196519_100009814013 [0,2,0,0,0,0|2,0,0]=4 18147 B17R2.5360 Fc1cc(ccc1SCc2cncnc2)Cl 62a_100011216042_100015196519 [0,2,0,0,0,0|2,0,0]=4 18148 B17R2.5360 Fc1cc(ccc1SCc2cncnc2)Cl 62a_100015196519_100011216042 [0,2,0,0,0,0|2,0,0]=4 18149 B17R2.5360 Fc1cc(cnc1CNc2ccccc2)Br 207a_100000106764_100010180630 [0,2,0,0,0,0|2,0,0]=4 18150 B17R2.5360 Fc1cc(cnc1CNc2ccccc2)Cl 207a_100000106764_100009858488 [0,2,0,0,0,0|2,0,0]=4 18151 B17R2.5360 Fc1cc(cnc1CNc2ccccc2)Cl 34a_100000106764_200009879301 [0,2,0,0,0,0|2,0,0]=4 18152 B17R2.5360 Fc1cc(cnc1OCc2cccnc2)Cl 34a_100011998252_100000733263 [0,2,0,0,0,0|2,0,0]=4 18153 B17R2.5360 Fc1cc(cnc1SCc2cccnc2)Br 62a_100000741622_100012348576 [0,2,0,0,0,0|2,0,0]=4 18154 B17R2.5360 Fc1cc(cnc1SCc2cccnc2)Br 62a_100012348576_100000741622 [0,2,0,0,0,0|2,0,0]=4 18155 B17R2.5360 Fc1cc(cnc1SCc2cccnc2)Cl 62a_100000741622_100012348686 [0,2,0,0,0,0|2,0,0]=4 18156 B17R2.5360 Fc1cc(cnc1SCc2cccnc2)Cl 62a_100012348686_100000741622 [0,2,0,0,0,0|2,0,0]=4 18157 B17R2.5360 Fc1cc(ncc1C#Cc2ccccc2)Cl 271570a_100000069678_100010128100 [0,2,0,0,0,0|1,0,1]=4 18158 B17R2.5360 Fc1cc(ncc1C=Cc2ccccc2)Cl 271570a_100102527694_100010128100 [0,2,0,0,0,0|1,0,1]=4 18159 B17R2.5360 Fc1cc(ncc1SCc2ccccc2)Cl 62a_100000211182_100010128100 [0,2,0,0,0,0|2,0,0]=4 18160 B17R2.5360 Fc1cc(ncc1SCc2ccccc2)Cl 62a_100010128100_100015291786 [0,2,0,0,0,0|2,0,0]=4 18161 B17R2.5360 Fc1cc(ncc1SCc2cccnc2)Cl 62a_100000741622_100010128100 [0,2,0,0,0,0|2,0,0]=4 18162 B17R2.5360 Fc1cc(ncc1SCc2cccnc2)Cl 62a_100010128100_100000741622 [0,2,0,0,0,0|2,0,0]=4 18163 B17R2.5360 Fc1ccc(c(c1)Br)C=Cc2cccnc2 271570a_100102525586_100011217111 [0,2,0,0,0,0|1,0,1]=4 18164 B17R2.5360 Fc1ccc(c(c1)Br)CNc2ccccc2 207a_100000106764_100000685661 [0,2,0,0,0,0|1,0,0]=3 18165 B17R2.5360 Fc1ccc(c(c1)Br)CNc2ccccc2 34a_100000106764_100000243222 [0,2,0,0,0,0|1,0,0]=3 18166 B17R2.5360 Fc1ccc(c(c1)Br)COc2ccccc2 34a_100000210340_100000243222 [0,2,0,0,0,0|2,0,0]=4 18167 B17R2.5360 Fc1ccc(c(c1)Br)COc2ccccc2 7a_100000210340_100000243222 [0,2,0,0,0,0|2,0,0]=4 18168 B17R2.5360 Fc1ccc(c(c1)Br)COc2cccnc2 34a_100000210849_100000243222 [0,2,0,0,0,0|2,0,0]=4 18169 B17R2.5360 Fc1ccc(c(c1)Br)COc2cccnc2 7a_100000210849_100000243222 [0,2,0,0,0,0|2,0,0]=4 18170 B17R2.5360 Fc1ccc(c(c1)Br)CSc2ccccc2 62a_100000243222_100000041952 [0,2,0,0,0,0|2,0,0]=4 18171 B17R2.5360 Fc1ccc(c(c1)Br)CSc2ccccc2 62a_100000719477_100000243222 [0,2,0,0,0,0|2,0,0]=4 18172 B17R2.5360 Fc1ccc(c(c1)Br)CSc2cccnc2 62a_100000210063_100000243222 [0,2,0,0,0,0|2,0,0]=4 18173 B17R2.5360 Fc1ccc(c(c1)Br)CSc2cccnc2 62a_100000243222_100000210063 [0,2,0,0,0,0|2,0,0]=4 18174 B17R2.5360 Fc1ccc(c(c1)Br)NCc2ccccc2 270302a_100000738039_100015611070 [0,2,0,0,0,0|1,0,0]=3 18175 B17R2.5360 Fc1ccc(c(c1)Br)NCc2ccccc2 34a_100000738039_100015291786 [0,2,0,0,0,0|1,0,0]=3 18176 B17R2.5360 Fc1ccc(c(c1)Br)NCc2ccccn2 270302a_100000738039_100000209966 [0,2,0,0,0,0|2,0,0]=4 18177 B17R2.5360 Fc1ccc(c(c1)Br)NCc2ccccn2 34a_100000738039_100000721315 [0,2,0,0,0,0|2,0,0]=4 18178 B17R2.5360 Fc1ccc(c(c1)Br)NCc2cccnc2 270302a_100000738039_100000209961 [0,2,0,0,0,0|0,0,0]=2 18179 B17R2.5360 Fc1ccc(c(c1)Br)NCc2cccnc2 34a_100000738039_100000733263 [0,2,0,0,0,0|0,0,0]=2 18180 B17R2.5360 Fc1ccc(c(c1)Br)NCc2cccnn2 34a_100000738039_100016990269 [0,2,0,0,0,0|1,0,0]=3 18181 B17R2.5360 Fc1ccc(c(c1)Br)NCc2ccnnc2 270302a_100000738039_100011934578 [0,2,0,0,0,0|1,0,0]=3 18182 B17R2.5360 Fc1ccc(c(c1)Br)NCc2cnccn2 34a_100000738039_100016995436 [0,2,0,0,0,0|1,0,0]=3 18183 B17R2.5360 Fc1ccc(c(c1)Br)NCc2cncnc2 270302a_100000738039_100000749868 [0,2,0,0,0,0|1,0,0]=3 18184 B17R2.5360 Fc1ccc(c(c1)Br)NCc2cncnc2 34a_100000738039_100015196519 [0,2,0,0,0,0|1,0,0]=3 18185 B17R2.5360 Fc1ccc(c(c1)Br)OCc2ccccc2 34a_100000211999_100015291786 [0,2,0,0,0,0|2,0,0]=4 18186 B17R2.5360 Fc1ccc(c(c1)Br)OCc2ccccc2 7a_100000211999_100000211182 [0,2,0,0,0,0|2,0,0]=4 18187 B17R2.5360 Fc1ccc(c(c1)Br)OCc2cccnc2 34a_100000211999_100000733263 [0,2,0,0,0,0|1,0,0]=3 18188 B17R2.5360 Fc1ccc(c(c1)Br)OCc2cccnc2 7a_100000211999_100000741622 [0,2,0,0,0,0|1,0,0]=3 18189 B17R2.5360 Fc1ccc(c(c1)Br)OCc2cccnn2 34a_100000211999_100016990269 [0,2,0,0,0,0|2,0,0]=4 18190 B17R2.5360 Fc1ccc(c(c1)Br)OCc2cccnn2 7a_100000211999_100016990269 [0,2,0,0,0,0|2,0,0]=4 18191 B17R2.5360 Fc1ccc(c(c1)Br)OCc2cnccn2 34a_100000211999_100016995436 [0,2,0,0,0,0|2,0,0]=4 18192 B17R2.5360 Fc1ccc(c(c1)Br)OCc2cnccn2 7a_100000211999_100016995436 [0,2,0,0,0,0|2,0,0]=4 18193 B17R2.5360 Fc1ccc(c(c1)Br)OCc2cncnc2 34a_100000211999_100015196519 [0,2,0,0,0,0|2,0,0]=4 18194 B17R2.5360 Fc1ccc(c(c1)Br)OCc2cncnc2 7a_100000211999_100015196519 [0,2,0,0,0,0|2,0,0]=4 18195 B17R2.5360 Fc1ccc(c(c1)Br)SCc2ccccc2 62a_100000211182_100011217111 [0,2,0,0,0,0|2,0,0]=4 18196 B17R2.5360 Fc1ccc(c(c1)Br)SCc2ccccc2 62a_100011217111_100015291786 [0,2,0,0,0,0|2,0,0]=4 18197 B17R2.5360 Fc1ccc(c(c1)Br)SCc2cccnc2 62a_100000741622_100011217111 [0,2,0,0,0,0|1,0,0]=3 18198 B17R2.5360 Fc1ccc(c(c1)Br)SCc2cccnc2 62a_100011217111_100000741622 [0,2,0,0,0,0|1,0,0]=3 18199 B17R2.5360 Fc1ccc(c(c1)Br)SCc2cccnn2 62a_100011217111_100016990269 [0,2,0,0,0,0|2,0,0]=4 18200 B17R2.5360 Fc1ccc(c(c1)Br)SCc2cccnn2 62a_100016990269_100011217111 [0,2,0,0,0,0|2,0,0]=4 18201 B17R2.5360 Fc1ccc(c(c1)Br)SCc2cnccn2 62a_100011217111_100016995436 [0,2,0,0,0,0|2,0,0]=4 18202 B17R2.5360 Fc1ccc(c(c1)Br)SCc2cnccn2 62a_100016995436_100011217111 [0,2,0,0,0,0|2,0,0]=4 18203 B17R2.5360 Fc1ccc(c(c1)Br)SCc2cncnc2 62a_100011217111_100015196519 [0,2,0,0,0,0|2,0,0]=4 18204 B17R2.5360 Fc1ccc(c(c1)Br)SCc2cncnc2 62a_100015196519_100011217111 [0,2,0,0,0,0|2,0,0]=4 18205 B17R2.5360 Fc1ccc(c(c1)Cl)C=Cc2cccnc2 271570a_100102525586_100000733362 [0,2,0,0,0,0|1,0,1]=4 18206 B17R2.5360 Fc1ccc(c(c1)Cl)CNc2ccccc2 207a_100000106764_100000752949 [0,2,0,0,0,0|1,0,0]=3 18207 B17R2.5360 Fc1ccc(c(c1)Cl)CNc2ccccc2 270302a_100000106764_100000752949 [0,2,0,0,0,0|1,0,0]=3 18208 B17R2.5360 Fc1ccc(c(c1)Cl)CNc2ccccc2 34a_100000106764_100011216360 [0,2,0,0,0,0|1,0,0]=3 18209 B17R2.5360 Fc1ccc(c(c1)Cl)COc2ccccc2 34a_100000210340_100011216360 [0,2,0,0,0,0|2,0,0]=4 18210 B17R2.5360 Fc1ccc(c(c1)Cl)COc2ccccc2 7a_100000210340_100011216360 [0,2,0,0,0,0|2,0,0]=4 18211 B17R2.5360 Fc1ccc(c(c1)Cl)COc2cccnc2 34a_100000210849_100011216360 [0,2,0,0,0,0|2,0,0]=4 18212 B17R2.5360 Fc1ccc(c(c1)Cl)COc2cccnc2 7a_100000210849_100011216360 [0,2,0,0,0,0|2,0,0]=4 18213 B17R2.5360 Fc1ccc(c(c1)Cl)CSc2ccccc2 62a_100000187853_100000041952 [0,2,0,0,0,0|2,0,0]=4 18214 B17R2.5360 Fc1ccc(c(c1)Cl)CSc2ccccc2 62a_100000719477_100000187853 [0,2,0,0,0,0|2,0,0]=4 18215 B17R2.5360 Fc1ccc(c(c1)Cl)CSc2cccnc2 62a_100000187853_100000210063 [0,2,0,0,0,0|2,0,0]=4 18216 B17R2.5360 Fc1ccc(c(c1)Cl)CSc2cccnc2 62a_100000210063_100000187853 [0,2,0,0,0,0|2,0,0]=4 18217 B17R2.5360 Fc1ccc(c(c1)Cl)NCc2ccccc2 270302a_100000212003_100015611070 [0,2,0,0,0,0|1,0,0]=3 18218 B17R2.5360 Fc1ccc(c(c1)Cl)NCc2ccccc2 34a_100000212003_100015291786 [0,2,0,0,0,0|1,0,0]=3 18219 B17R2.5360 Fc1ccc(c(c1)Cl)NCc2ccccn2 270302a_100000212003_100000209966 [0,2,0,0,0,0|2,0,0]=4 18220 B17R2.5360 Fc1ccc(c(c1)Cl)NCc2ccccn2 34a_100000212003_100000721315 [0,2,0,0,0,0|2,0,0]=4 18221 B17R2.5360 Fc1ccc(c(c1)Cl)NCc2cccnc2 270302a_100000212003_100000209961 [0,2,0,0,0,0|0,0,0]=2 18222 B17R2.5360 Fc1ccc(c(c1)Cl)NCc2cccnc2 34a_100000212003_100000733263 [0,2,0,0,0,0|0,0,0]=2 18223 B17R2.5360 Fc1ccc(c(c1)Cl)NCc2cccnn2 34a_100000212003_100016990269 [0,2,0,0,0,0|1,0,0]=3 18224 B17R2.5360 Fc1ccc(c(c1)Cl)NCc2ccnnc2 270302a_100000212003_100011934578 [0,2,0,0,0,0|1,0,0]=3 18225 B17R2.5360 Fc1ccc(c(c1)Cl)NCc2cnccn2 34a_100000212003_100016995436 [0,2,0,0,0,0|1,0,0]=3 18226 B17R2.5360 Fc1ccc(c(c1)Cl)NCc2cncnc2 270302a_100000212003_100000749868 [0,2,0,0,0,0|1,0,0]=3 18227 B17R2.5360 Fc1ccc(c(c1)Cl)NCc2cncnc2 34a_100000212003_100015196519 [0,2,0,0,0,0|1,0,0]=3 18228 B17R2.5360 Fc1ccc(c(c1)Cl)OCc2ccccc2 34a_100000212004_100015291786 [0,2,0,0,0,0|2,0,0]=4 18229 B17R2.5360 Fc1ccc(c(c1)Cl)OCc2ccccc2 7a_100000212004_100000211182 [0,2,0,0,0,0|2,0,0]=4 18230 B17R2.5360 Fc1ccc(c(c1)Cl)OCc2cccnc2 34a_100000212004_100000733263 [0,2,0,0,0,0|1,0,0]=3 18231 B17R2.5360 Fc1ccc(c(c1)Cl)OCc2cccnc2 7a_100000212004_100000741622 [0,2,0,0,0,0|1,0,0]=3 18232 B17R2.5360 Fc1ccc(c(c1)Cl)OCc2cccnn2 34a_100000212004_100016990269 [0,2,0,0,0,0|2,0,0]=4 18233 B17R2.5360 Fc1ccc(c(c1)Cl)OCc2cccnn2 7a_100000212004_100016990269 [0,2,0,0,0,0|2,0,0]=4 18234 B17R2.5360 Fc1ccc(c(c1)Cl)OCc2cnccn2 34a_100000212004_100016995436 [0,2,0,0,0,0|2,0,0]=4 18235 B17R2.5360 Fc1ccc(c(c1)Cl)OCc2cnccn2 7a_100000212004_100016995436 [0,2,0,0,0,0|2,0,0]=4 18236 B17R2.5360 Fc1ccc(c(c1)Cl)OCc2cncnc2 34a_100000212004_100015196519 [0,2,0,0,0,0|2,0,0]=4 18237 B17R2.5360 Fc1ccc(c(c1)Cl)OCc2cncnc2 7a_100000212004_100015196519 [0,2,0,0,0,0|2,0,0]=4 18238 B17R2.5360 Fc1ccc(c(c1)Cl)SCc2ccccc2 62a_100000211182_100000733362 [0,2,0,0,0,0|2,0,0]=4 18239 B17R2.5360 Fc1ccc(c(c1)Cl)SCc2ccccc2 62a_100000733362_100015291786 [0,2,0,0,0,0|2,0,0]=4 18240 B17R2.5360 Fc1ccc(c(c1)Cl)SCc2cccnc2 62a_100000733362_100000741622 [0,2,0,0,0,0|1,0,0]=3 18241 B17R2.5360 Fc1ccc(c(c1)Cl)SCc2cccnc2 62a_100000741622_100000733362 [0,2,0,0,0,0|1,0,0]=3 18242 B17R2.5360 Fc1ccc(c(c1)Cl)SCc2cccnn2 62a_100000733362_100016990269 [0,2,0,0,0,0|2,0,0]=4 18243 B17R2.5360 Fc1ccc(c(c1)Cl)SCc2cccnn2 62a_100016990269_100000733362 [0,2,0,0,0,0|2,0,0]=4 18244 B17R2.5360 Fc1ccc(c(c1)Cl)SCc2cnccn2 62a_100000733362_100016995436 [0,2,0,0,0,0|2,0,0]=4 18245 B17R2.5360 Fc1ccc(c(c1)Cl)SCc2cnccn2 62a_100016995436_100000733362 [0,2,0,0,0,0|2,0,0]=4 18246 B17R2.5360 Fc1ccc(c(c1)Cl)SCc2cncnc2 62a_100000733362_100015196519 [0,2,0,0,0,0|2,0,0]=4 18247 B17R2.5360 Fc1ccc(c(c1)Cl)SCc2cncnc2 62a_100015196519_100000733362 [0,2,0,0,0,0|2,0,0]=4 18248 B17R2.5360 Fc1ccc(c(c1)F)C=Cc2cccnc2 271570a_100102525586_100000750030 [0,2,0,0,0,0|1,0,1]=4 18249 B17R2.5360 Fc1ccc(c(c1)F)C=Cc2cccnc2 271570a_100102527928_100000752921 [0,2,0,0,0,0|1,0,1]=4 18250 B17R2.5360 Fc1ccc(c(c1)F)CNc2ccccc2 207a_100000106764_100000211964 [0,2,0,0,0,0|1,0,0]=3 18251 B17R2.5360 Fc1ccc(c(c1)F)CNc2ccccc2 34a_100000106764_100000748237 [0,2,0,0,0,0|1,0,0]=3 18252 B17R2.5360 Fc1ccc(c(c1)F)COc2ccccc2 34a_100000210340_100000748237 [0,2,0,0,0,0|2,0,0]=4 18253 B17R2.5360 Fc1ccc(c(c1)F)COc2ccccc2 7a_100000210340_100000748237 [0,2,0,0,0,0|2,0,0]=4 18254 B17R2.5360 Fc1ccc(c(c1)F)COc2cccnc2 34a_100000210849_100000748237 [0,2,0,0,0,0|2,0,0]=4 18255 B17R2.5360 Fc1ccc(c(c1)F)COc2cccnc2 7a_100000210849_100000748237 [0,2,0,0,0,0|2,0,0]=4 18256 B17R2.5360 Fc1ccc(c(c1)F)CSc2ccccc2 62a_100000719477_100000748237 [0,2,0,0,0,0|2,0,0]=4 18257 B17R2.5360 Fc1ccc(c(c1)F)CSc2ccccc2 62a_100000748237_100000041952 [0,2,0,0,0,0|2,0,0]=4 18258 B17R2.5360 Fc1ccc(c(c1)F)CSc2cccnc2 62a_100000210063_100000748237 [0,2,0,0,0,0|2,0,0]=4 18259 B17R2.5360 Fc1ccc(c(c1)F)CSc2cccnc2 62a_100000748237_100000210063 [0,2,0,0,0,0|2,0,0]=4 18260 B17R2.5360 Fc1ccc(c(c1)F)NCc2ccccc2 207a_100000210720_100015611070 [0,2,0,0,0,0|1,0,0]=3 18261 B17R2.5360 Fc1ccc(c(c1)F)NCc2ccccc2 270302a_100000210720_100015611070 [0,2,0,0,0,0|1,0,0]=3 18262 B17R2.5360 Fc1ccc(c(c1)F)NCc2ccccc2 34a_100000210720_100015291786 [0,2,0,0,0,0|1,0,0]=3 18263 B17R2.5360 Fc1ccc(c(c1)F)NCc2ccccn2 207a_100000210720_100000209966 [0,2,0,0,0,0|2,0,0]=4 18264 B17R2.5360 Fc1ccc(c(c1)F)NCc2ccccn2 270302a_100000210720_100000209966 [0,2,0,0,0,0|2,0,0]=4 18265 B17R2.5360 Fc1ccc(c(c1)F)NCc2ccccn2 34a_100000210720_100000721315 [0,2,0,0,0,0|2,0,0]=4 18266 B17R2.5360 Fc1ccc(c(c1)F)NCc2cccnc2 207a_100000210720_100000209961 [0,2,0,0,0,0|0,0,0]=2 18267 B17R2.5360 Fc1ccc(c(c1)F)NCc2cccnc2 270302a_100000210720_100000209961 [0,2,0,0,0,0|0,0,0]=2 18268 B17R2.5360 Fc1ccc(c(c1)F)NCc2cccnc2 34a_100000210720_100000733263 [0,2,0,0,0,0|0,0,0]=2 18269 B17R2.5360 Fc1ccc(c(c1)F)NCc2cccnn2 34a_100000210720_100016990269 [0,2,0,0,0,0|1,0,0]=3 18270 B17R2.5360 Fc1ccc(c(c1)F)NCc2ccncc2 207a_100000210720_100000186114 [0,2,0,0,0,0|2,0,0]=4 18271 B17R2.5360 Fc1ccc(c(c1)F)NCc2ccnnc2 270302a_100000210720_100011934578 [0,2,0,0,0,0|1,0,0]=3 18272 B17R2.5360 Fc1ccc(c(c1)F)NCc2cnccn2 34a_100000210720_100016995436 [0,2,0,0,0,0|1,0,0]=3 18273 B17R2.5360 Fc1ccc(c(c1)F)NCc2cncnc2 270302a_100000210720_100000749868 [0,2,0,0,0,0|1,0,0]=3 18274 B17R2.5360 Fc1ccc(c(c1)F)NCc2cncnc2 34a_100000210720_100015196519 [0,2,0,0,0,0|1,0,0]=3 18275 B17R2.5360 Fc1ccc(c(c1)F)OCc2ccccc2 34a_100000230127_100015291786 [0,2,0,0,0,0|2,0,0]=4 18276 B17R2.5360 Fc1ccc(c(c1)F)OCc2ccccc2 7a_100000230127_100000211182 [0,2,0,0,0,0|2,0,0]=4 18277 B17R2.5360 Fc1ccc(c(c1)F)OCc2cccnc2 34a_100000230127_100000733263 [0,2,0,0,0,0|1,0,0]=3 18278 B17R2.5360 Fc1ccc(c(c1)F)OCc2cccnc2 7a_100000230127_100000741622 [0,2,0,0,0,0|1,0,0]=3 18279 B17R2.5360 Fc1ccc(c(c1)F)OCc2cccnn2 34a_100000230127_100016990269 [0,2,0,0,0,0|2,0,0]=4 18280 B17R2.5360 Fc1ccc(c(c1)F)OCc2cccnn2 7a_100000230127_100016990269 [0,2,0,0,0,0|2,0,0]=4 18281 B17R2.5360 Fc1ccc(c(c1)F)OCc2cnccn2 34a_100000230127_100016995436 [0,2,0,0,0,0|2,0,0]=4 18282 B17R2.5360 Fc1ccc(c(c1)F)OCc2cnccn2 7a_100000230127_100016995436 [0,2,0,0,0,0|2,0,0]=4 18283 B17R2.5360 Fc1ccc(c(c1)F)OCc2cncnc2 34a_100000230127_100015196519 [0,2,0,0,0,0|2,0,0]=4 18284 B17R2.5360 Fc1ccc(c(c1)F)OCc2cncnc2 7a_100000230127_100015196519 [0,2,0,0,0,0|2,0,0]=4 18285 B17R2.5360 Fc1ccc(c(c1)F)SCc2ccccc2 62a_100000211182_100000750030 [0,2,0,0,0,0|2,0,0]=4 18286 B17R2.5360 Fc1ccc(c(c1)F)SCc2ccccc2 62a_100000750030_100015291786 [0,2,0,0,0,0|2,0,0]=4 18287 B17R2.5360 Fc1ccc(c(c1)F)SCc2cccnc2 62a_100000741622_100000750030 [0,2,0,0,0,0|1,0,0]=3 18288 B17R2.5360 Fc1ccc(c(c1)F)SCc2cccnc2 62a_100000750030_100000741622 [0,2,0,0,0,0|1,0,0]=3 18289 B17R2.5360 Fc1ccc(c(c1)F)SCc2cccnn2 62a_100000750030_100016990269 [0,2,0,0,0,0|2,0,0]=4 18290 B17R2.5360 Fc1ccc(c(c1)F)SCc2cccnn2 62a_100016990269_100000750030 [0,2,0,0,0,0|2,0,0]=4 18291 B17R2.5360 Fc1ccc(c(c1)F)SCc2cnccn2 62a_100000750030_100016995436 [0,2,0,0,0,0|2,0,0]=4 18292 B17R2.5360 Fc1ccc(c(c1)F)SCc2cnccn2 62a_100016995436_100000750030 [0,2,0,0,0,0|2,0,0]=4 18293 B17R2.5360 Fc1ccc(c(c1)F)SCc2cncnc2 62a_100000750030_100015196519 [0,2,0,0,0,0|2,0,0]=4 18294 B17R2.5360 Fc1ccc(c(c1)F)SCc2cncnc2 62a_100015196519_100000750030 [0,2,0,0,0,0|2,0,0]=4 18295 B17R2.5360 Fc1ccc(c(c1)I)CNc2ccccc2 207a_100000106764_100010254405 [0,2,0,0,0,0|1,0,0]=3 18296 B17R2.5360 Fc1ccc(c(c1)I)CNc2ccccc2 34a_100000106764_100012354799 [0,2,0,0,0,0|1,0,0]=3 18297 B17R2.5360 Fc1ccc(c(c1)I)COc2ccccc2 34a_100000210340_100012354799 [0,2,0,0,0,0|2,0,0]=4 18298 B17R2.5360 Fc1ccc(c(c1)I)COc2ccccc2 7a_100000210340_100012354799 [0,2,0,0,0,0|2,0,0]=4 18299 B17R2.5360 Fc1ccc(c(c1)I)COc2cccnc2 34a_100000210849_100012354799 [0,2,0,0,0,0|2,0,0]=4 18300 B17R2.5360 Fc1ccc(c(c1)I)COc2cccnc2 7a_100000210849_100012354799 [0,2,0,0,0,0|2,0,0]=4 18301 B17R2.5360 Fc1ccc(c(c1)I)CSc2ccccc2 62a_100000719477_100012354799 [0,2,0,0,0,0|2,0,0]=4 18302 B17R2.5360 Fc1ccc(c(c1)I)CSc2ccccc2 62a_100012354799_100000041952 [0,2,0,0,0,0|2,0,0]=4 18303 B17R2.5360 Fc1ccc(c(c1)I)CSc2cccnc2 62a_100000210063_100012354799 [0,2,0,0,0,0|2,0,0]=4 18304 B17R2.5360 Fc1ccc(c(c1)I)CSc2cccnc2 62a_100012354799_100000210063 [0,2,0,0,0,0|2,0,0]=4 18305 B17R2.5360 Fc1ccc(c(c1)I)NCc2ccccc2 34a_100000760547_100015291786 [0,2,0,0,0,0|1,0,0]=3 18306 B17R2.5360 Fc1ccc(c(c1)I)NCc2ccccn2 34a_100000760547_100000721315 [0,2,0,0,0,0|2,0,0]=4 18307 B17R2.5360 Fc1ccc(c(c1)I)NCc2cccnc2 34a_100000760547_100000733263 [0,2,0,0,0,0|0,0,0]=2 18308 B17R2.5360 Fc1ccc(c(c1)I)NCc2cccnn2 34a_100000760547_100016990269 [0,2,0,0,0,0|1,0,0]=3 18309 B17R2.5360 Fc1ccc(c(c1)I)NCc2cnccn2 34a_100000760547_100016995436 [0,2,0,0,0,0|1,0,0]=3 18310 B17R2.5360 Fc1ccc(c(c1)I)NCc2cncnc2 34a_100000760547_100015196519 [0,2,0,0,0,0|1,0,0]=3 18311 B17R2.5360 Fc1ccc(c(c1)I)OCc2ccccc2 34a_100012355409_100015291786 [0,2,0,0,0,0|2,0,0]=4 18312 B17R2.5360 Fc1ccc(c(c1)I)OCc2ccccc2 7a_100012355409_100000211182 [0,2,0,0,0,0|2,0,0]=4 18313 B17R2.5360 Fc1ccc(c(c1)I)OCc2cccnc2 34a_100012355409_100000733263 [0,2,0,0,0,0|1,0,0]=3 18314 B17R2.5360 Fc1ccc(c(c1)I)OCc2cccnc2 7a_100012355409_100000741622 [0,2,0,0,0,0|1,0,0]=3 18315 B17R2.5360 Fc1ccc(c(c1)I)OCc2cccnn2 34a_100012355409_100016990269 [0,2,0,0,0,0|2,0,0]=4 18316 B17R2.5360 Fc1ccc(c(c1)I)OCc2cccnn2 7a_100012355409_100016990269 [0,2,0,0,0,0|2,0,0]=4 18317 B17R2.5360 Fc1ccc(c(c1)I)OCc2cnccn2 34a_100012355409_100016995436 [0,2,0,0,0,0|2,0,0]=4 18318 B17R2.5360 Fc1ccc(c(c1)I)OCc2cnccn2 7a_100012355409_100016995436 [0,2,0,0,0,0|2,0,0]=4 18319 B17R2.5360 Fc1ccc(c(c1)I)OCc2cncnc2 34a_100012355409_100015196519 [0,2,0,0,0,0|2,0,0]=4 18320 B17R2.5360 Fc1ccc(c(c1)I)OCc2cncnc2 7a_100012355409_100015196519 [0,2,0,0,0,0|2,0,0]=4 18321 B17R2.5360 Fc1ccc(c(n1)Br)OCc2ccccc2 34a_100009887730_100015291786 [0,2,0,0,0,0|2,0,0]=4 18322 B17R2.5360 Fc1ccc(c(n1)Br)OCc2ccccc2 7a_100009887730_100000211182 [0,2,0,0,0,0|2,0,0]=4 18323 B17R2.5360 Fc1ccc(c(n1)Br)OCc2cccnc2 34a_100009887730_100000733263 [0,2,0,0,0,0|2,0,0]=4 18324 B17R2.5360 Fc1ccc(c(n1)Br)OCc2cccnc2 7a_100009887730_100000741622 [0,2,0,0,0,0|2,0,0]=4 18325 B17R2.5360 Fc1ccc(c(n1)F)C#Cc2ccccc2 271570a_100000069678_100000070099 [0,2,0,0,0,0|1,0,1]=4 18326 B17R2.5360 Fc1ccc(c(n1)F)C=Cc2ccccc2 271570a_100102527694_100000070099 [0,2,0,0,0,0|1,0,1]=4 18327 B17R2.5360 Fc1ccc(c(n1)F)OCc2ccccc2 34a_100000101184_100015291786 [0,2,0,0,0,0|2,0,0]=4 18328 B17R2.5360 Fc1ccc(c(n1)F)OCc2ccccc2 7a_100000101184_100000211182 [0,2,0,0,0,0|2,0,0]=4 18329 B17R2.5360 Fc1ccc(c(n1)F)OCc2cccnc2 34a_100000101184_100000733263 [0,2,0,0,0,0|2,0,0]=4 18330 B17R2.5360 Fc1ccc(c(n1)F)OCc2cccnc2 7a_100000101184_100000741622 [0,2,0,0,0,0|2,0,0]=4 18331 B17R2.5360 Fc1ccc(c(n1)F)SCc2ccccc2 62a_100000070099_100015291786 [0,2,0,0,0,0|2,0,0]=4 18332 B17R2.5360 Fc1ccc(c(n1)F)SCc2ccccc2 62a_100000211182_100000070099 [0,2,0,0,0,0|2,0,0]=4 18333 B17R2.5360 Fc1ccc(c(n1)F)SCc2cccnc2 62a_100000070099_100000741622 [0,2,0,0,0,0|2,0,0]=4 18334 B17R2.5360 Fc1ccc(c(n1)F)SCc2cccnc2 62a_100000741622_100000070099 [0,2,0,0,0,0|2,0,0]=4 18335 B17R2.5360 Fc1ccc(c(n1)I)OCc2ccccc2 34a_100010382442_100015291786 [0,2,0,0,0,0|2,0,0]=4 18336 B17R2.5360 Fc1ccc(c(n1)I)OCc2ccccc2 7a_100010382442_100000211182 [0,2,0,0,0,0|2,0,0]=4 18337 B17R2.5360 Fc1ccc(c(n1)I)OCc2cccnc2 34a_100010382442_100000733263 [0,2,0,0,0,0|2,0,0]=4 18338 B17R2.5360 Fc1ccc(c(n1)I)OCc2cccnc2 7a_100010382442_100000741622 [0,2,0,0,0,0|2,0,0]=4 18339 B17R2.5360 Fc1cnc(c(c1)Cl)OCc2cccnc2 34a_100009847679_100000733263 [0,2,0,0,0,0|2,0,0]=4 18340 B17R2.5360 Fc1cnc(c(c1)F)OCc2cccnc2 34a_100012025737_100000733263 [0,2,0,0,0,0|2,0,0]=4 18341 B17R2.5360 Fc1cnc(c(c1)F)SCc2cccnc2 62a_100000741622_100011219543 [0,2,0,0,0,0|2,0,0]=4 18342 B17R2.5360 Fc1cnc(c(c1)F)SCc2cccnc2 62a_100011219543_100000741622 [0,2,0,0,0,0|2,0,0]=4 18343 B17R2.5360 Fc1nc(ccc1C#Cc2ccccc2)Cl 271570a_100000069678_100010168078 [0,2,0,0,0,0|1,0,1]=4 18344 B17R2.5360 Fc1nc(ccc1C=Cc2ccccc2)Cl 271570a_100102527694_100010168078 [0,2,0,0,0,0|1,0,1]=4 18345 B17R2.5360 Fc1nc(ccc1OCc2ccccc2)Br 34a_100009819667_100015291786 [0,2,0,0,0,0|2,0,0]=4 18346 B17R2.5360 Fc1nc(ccc1OCc2ccccc2)Br 7a_100009819667_100000211182 [0,2,0,0,0,0|2,0,0]=4 18347 B17R2.5360 Fc1nc(ccc1OCc2ccccc2)Cl 34a_100009880201_100015291786 [0,2,0,0,0,0|2,0,0]=4 18348 B17R2.5360 Fc1nc(ccc1OCc2ccccc2)Cl 7a_100009880201_100000211182 [0,2,0,0,0,0|2,0,0]=4 18349 B17R2.5360 Fc1nc(ccc1OCc2cccnc2)Br 34a_100009819667_100000733263 [0,2,0,0,0,0|2,0,0]=4 18350 B17R2.5360 Fc1nc(ccc1OCc2cccnc2)Br 7a_100009819667_100000741622 [0,2,0,0,0,0|2,0,0]=4 18351 B17R2.5360 Fc1nc(ccc1OCc2cccnc2)Cl 34a_100009880201_100000733263 [0,2,0,0,0,0|2,0,0]=4 18352 B17R2.5360 Fc1nc(ccc1OCc2cccnc2)Cl 7a_100009880201_100000741622 [0,2,0,0,0,0|2,0,0]=4 18353 B17R2.5360 Fc1nc(ccc1SCc2ccccc2)Cl 62a_100000211182_100010168078 [0,2,0,0,0,0|2,0,0]=4 18354 B17R2.5360 Fc1nc(ccc1SCc2ccccc2)Cl 62a_100010168078_100015291786 [0,2,0,0,0,0|2,0,0]=4 18355 B17R2.5360 Fc1nc(ccc1SCc2cccnc2)Cl 62a_100000741622_100010168078 [0,2,0,0,0,0|2,0,0]=4 18356 B17R2.5360 Fc1nc(ccc1SCc2cccnc2)Cl 62a_100010168078_100000741622 [0,2,0,0,0,0|2,0,0]=4 18357 B17R2.5360 Ic1ccc(c(c1)I)OCc2ccccc2 7a_100010001573_100000211182 [0,2,0,0,0,0|2,0,0]=4 18358 B17R2.5360 Ic1ccc(c(c1)I)OCc2cccnc2 7a_100010001573_100000741622 [0,2,0,0,0,0|1,0,0]=3 18359 B17R2.5360 Ic1ccc(c(c1)I)OCc2cccnn2 7a_100010001573_100016990269 [0,2,0,0,0,0|2,0,0]=4 18360 B17R2.5360 Ic1ccc(c(c1)I)OCc2cnccn2 7a_100010001573_100016995436 [0,2,0,0,0,0|2,0,0]=4 18361 B17R2.5360 Ic1ccc(c(c1)I)OCc2cncnc2 7a_100010001573_100015196519 [0,2,0,0,0,0|2,0,0]=4 18362 B17R2.5360 Nc1[nH]c(=O)ccc1SCc2cccnc2 62a_100009884077_100000741622 [0,2,0,0,0,0|2,0,0]=4 18363 B17R2.5360 Nc1cc(c(cn1)C#Cc2ccccc2)Br 271570a_100000069678_100010074611 [0,2,0,0,0,0|1,0,1]=4 18364 B17R2.5360 Nc1cc(c(cn1)C#Cc2ccccc2)Cl 271570a_100000069678_100000694920 [0,2,0,0,0,0|1,0,1]=4 18365 B17R2.5360 Nc1cc(c(cn1)C#Cc2ccccc2)F 271570a_100000069678_100009844730 [0,2,0,0,0,0|1,0,1]=4 18366 B17R2.5360 Nc1cc(c(cn1)C#Cc2ccccc2)N 271570a_100000069678_200009857908 [0,2,0,0,0,0|1,0,1]=4 18367 B17R2.5360 Nc1cc(c(cn1)C=Cc2ccccc2)Br 271570a_100102527694_100010074611 [0,2,0,0,0,0|1,0,1]=4 18368 B17R2.5360 Nc1cc(c(cn1)C=Cc2ccccc2)Cl 271570a_100102527694_100000694920 [0,2,0,0,0,0|1,0,1]=4 18369 B17R2.5360 Nc1cc(c(cn1)C=Cc2ccccc2)F 271570a_100102527694_100009844730 [0,2,0,0,0,0|1,0,1]=4 18370 B17R2.5360 Nc1cc(c(cn1)C=Cc2ccccc2)N 271570a_100102527694_200009857908 [0,2,0,0,0,0|1,0,1]=4 18371 B17R2.5360 Nc1cc(c(cn1)SCc2ccccc2)Br 62a_100000211182_100010074611 [0,2,0,0,0,0|2,0,0]=4 18372 B17R2.5360 Nc1cc(c(cn1)SCc2ccccc2)Br 62a_100010074611_100015291786 [0,2,0,0,0,0|2,0,0]=4 18373 B17R2.5360 Nc1cc(c(cn1)SCc2ccccc2)Cl 62a_100000211182_100000694920 [0,2,0,0,0,0|2,0,0]=4 18374 B17R2.5360 Nc1cc(c(cn1)SCc2ccccc2)Cl 62a_100000694920_100015291786 [0,2,0,0,0,0|2,0,0]=4 18375 B17R2.5360 Nc1cc(c(cn1)SCc2ccccc2)F 62a_100000211182_100009844730 [0,2,0,0,0,0|2,0,0]=4 18376 B17R2.5360 Nc1cc(c(cn1)SCc2ccccc2)F 62a_100009844730_100015291786 [0,2,0,0,0,0|2,0,0]=4 18377 B17R2.5360 Nc1cc(c(cn1)SCc2ccccc2)N 62a_100000211182_200009857908 [0,2,0,0,0,0|2,0,0]=4 18378 B17R2.5360 Nc1cc(c(cn1)SCc2ccccc2)N 62a_200009857908_100015291786 [0,2,0,0,0,0|2,0,0]=4 18379 B17R2.5360 Nc1cc(c(cn1)SCc2cccnc2)Br 62a_100000741622_100010074611 [0,2,0,0,0,0|2,0,0]=4 18380 B17R2.5360 Nc1cc(c(cn1)SCc2cccnc2)Br 62a_100010074611_100000741622 [0,2,0,0,0,0|2,0,0]=4 18381 B17R2.5360 Nc1cc(c(cn1)SCc2cccnc2)Cl 62a_100000694920_100000741622 [0,2,0,0,0,0|2,0,0]=4 18382 B17R2.5360 Nc1cc(c(cn1)SCc2cccnc2)Cl 62a_100000741622_100000694920 [0,2,0,0,0,0|2,0,0]=4 18383 B17R2.5360 Nc1cc(c(cn1)SCc2cccnc2)F 62a_100000741622_100009844730 [0,2,0,0,0,0|2,0,0]=4 18384 B17R2.5360 Nc1cc(c(cn1)SCc2cccnc2)F 62a_100009844730_100000741622 [0,2,0,0,0,0|2,0,0]=4 18385 B17R2.5360 Nc1cc(c(cn1)SCc2cccnc2)N 62a_100000741622_200009857908 [0,2,0,0,0,0|2,0,0]=4 18386 B17R2.5360 Nc1cc(c(cn1)SCc2cccnc2)N 62a_200009857908_100000741622 [0,2,0,0,0,0|2,0,0]=4 18387 B17R2.5360 Nc1cc(ccc1C=Cc2cccnc2)Br 271570a_100102525586_100000743836 [0,2,0,0,0,0|1,0,1]=4 18388 B17R2.5360 Nc1cc(ccc1C=Cc2cccnc2)Cl 271570a_100102525586_100000761886 [0,2,0,0,0,0|1,0,1]=4 18389 B17R2.5360 Nc1cc(ccc1C=Cc2cccnc2)F 271570a_100102525586_100011218093 [0,2,0,0,0,0|1,0,1]=4 18390 B17R2.5360 Nc1cc(ccc1C=Cc2cccnc2)O 271570a_100102525586_100011999798 [0,2,0,0,0,0|1,0,1]=4 18391 B17R2.5360 Nc1cc(ccc1OCc2ccccc2)Br 34a_100000752626_100015291786 [0,2,0,0,0,0|2,0,0]=4 18392 B17R2.5360 Nc1cc(ccc1OCc2ccccc2)Br 7a_100000752626_100000211182 [0,2,0,0,0,0|2,0,0]=4 18393 B17R2.5360 Nc1cc(ccc1OCc2ccccc2)Cl 34a_100000210500_100015291786 [0,2,0,0,0,0|2,0,0]=4 18394 B17R2.5360 Nc1cc(ccc1OCc2ccccc2)Cl 7a_100000210500_100000211182 [0,2,0,0,0,0|2,0,0]=4 18395 B17R2.5360 Nc1cc(ccc1OCc2ccccc2)F 34a_100000759472_100015291786 [0,2,0,0,0,0|2,0,0]=4 18396 B17R2.5360 Nc1cc(ccc1OCc2ccccc2)F 7a_100000759472_100000211182 [0,2,0,0,0,0|2,0,0]=4 18397 B17R2.5360 Nc1cc(ccc1OCc2ccccc2)I 34a_100000753495_100015291786 [0,2,0,0,0,0|2,0,0]=4 18398 B17R2.5360 Nc1cc(ccc1OCc2ccccc2)I 7a_100000753495_100000211182 [0,2,0,0,0,0|2,0,0]=4 18399 B17R2.5360 Nc1cc(ccc1OCc2ccccc2)O 271570a_203496583355_200011228974 [0,2,0,0,0,0|2,0,0]=4 18400 B17R2.5360 Nc1cc(ccc1OCc2cccnc2)Br 34a_100000752626_100000733263 [0,2,0,0,0,0|1,0,0]=3 18401 B17R2.5360 Nc1cc(ccc1OCc2cccnc2)Br 7a_100000752626_100000741622 [0,2,0,0,0,0|1,0,0]=3 18402 B17R2.5360 Nc1cc(ccc1OCc2cccnc2)Cl 34a_100000210500_100000733263 [0,2,0,0,0,0|1,0,0]=3 18403 B17R2.5360 Nc1cc(ccc1OCc2cccnc2)Cl 7a_100000210500_100000741622 [0,2,0,0,0,0|1,0,0]=3 18404 B17R2.5360 Nc1cc(ccc1OCc2cccnc2)F 34a_100000759472_100000733263 [0,2,0,0,0,0|1,0,0]=3 18405 B17R2.5360 Nc1cc(ccc1OCc2cccnc2)F 7a_100000759472_100000741622 [0,2,0,0,0,0|1,0,0]=3 18406 B17R2.5360 Nc1cc(ccc1OCc2cccnc2)I 34a_100000753495_100000733263 [0,2,0,0,0,0|1,0,0]=3 18407 B17R2.5360 Nc1cc(ccc1OCc2cccnc2)I 7a_100000753495_100000741622 [0,2,0,0,0,0|1,0,0]=3 18408 B17R2.5360 Nc1cc(ccc1OCc2cccnn2)Br 34a_100000752626_100016990269 [0,2,0,0,0,0|2,0,0]=4 18409 B17R2.5360 Nc1cc(ccc1OCc2cccnn2)Br 7a_100000752626_100016990269 [0,2,0,0,0,0|2,0,0]=4 18410 B17R2.5360 Nc1cc(ccc1OCc2cccnn2)Cl 34a_100000210500_100016990269 [0,2,0,0,0,0|2,0,0]=4 18411 B17R2.5360 Nc1cc(ccc1OCc2cccnn2)Cl 7a_100000210500_100016990269 [0,2,0,0,0,0|2,0,0]=4 18412 B17R2.5360 Nc1cc(ccc1OCc2cccnn2)F 34a_100000759472_100016990269 [0,2,0,0,0,0|2,0,0]=4 18413 B17R2.5360 Nc1cc(ccc1OCc2cccnn2)F 7a_100000759472_100016990269 [0,2,0,0,0,0|2,0,0]=4 18414 B17R2.5360 Nc1cc(ccc1OCc2cccnn2)I 34a_100000753495_100016990269 [0,2,0,0,0,0|2,0,0]=4 18415 B17R2.5360 Nc1cc(ccc1OCc2cccnn2)I 7a_100000753495_100016990269 [0,2,0,0,0,0|2,0,0]=4 18416 B17R2.5360 Nc1cc(ccc1OCc2cnccn2)Br 34a_100000752626_100016995436 [0,2,0,0,0,0|2,0,0]=4 18417 B17R2.5360 Nc1cc(ccc1OCc2cnccn2)Br 7a_100000752626_100016995436 [0,2,0,0,0,0|2,0,0]=4 18418 B17R2.5360 Nc1cc(ccc1OCc2cnccn2)Cl 34a_100000210500_100016995436 [0,2,0,0,0,0|2,0,0]=4 18419 B17R2.5360 Nc1cc(ccc1OCc2cnccn2)Cl 7a_100000210500_100016995436 [0,2,0,0,0,0|2,0,0]=4 18420 B17R2.5360 Nc1cc(ccc1OCc2cnccn2)F 34a_100000759472_100016995436 [0,2,0,0,0,0|2,0,0]=4 18421 B17R2.5360 Nc1cc(ccc1OCc2cnccn2)F 7a_100000759472_100016995436 [0,2,0,0,0,0|2,0,0]=4 18422 B17R2.5360 Nc1cc(ccc1OCc2cnccn2)I 34a_100000753495_100016995436 [0,2,0,0,0,0|2,0,0]=4 18423 B17R2.5360 Nc1cc(ccc1OCc2cnccn2)I 7a_100000753495_100016995436 [0,2,0,0,0,0|2,0,0]=4 18424 B17R2.5360 Nc1cc(ccc1OCc2cncnc2)Br 34a_100000752626_100015196519 [0,2,0,0,0,0|2,0,0]=4 18425 B17R2.5360 Nc1cc(ccc1OCc2cncnc2)Br 7a_100000752626_100015196519 [0,2,0,0,0,0|2,0,0]=4 18426 B17R2.5360 Nc1cc(ccc1OCc2cncnc2)Cl 34a_100000210500_100015196519 [0,2,0,0,0,0|2,0,0]=4 18427 B17R2.5360 Nc1cc(ccc1OCc2cncnc2)Cl 7a_100000210500_100015196519 [0,2,0,0,0,0|2,0,0]=4 18428 B17R2.5360 Nc1cc(ccc1OCc2cncnc2)F 34a_100000759472_100015196519 [0,2,0,0,0,0|2,0,0]=4 18429 B17R2.5360 Nc1cc(ccc1OCc2cncnc2)F 7a_100000759472_100015196519 [0,2,0,0,0,0|2,0,0]=4 18430 B17R2.5360 Nc1cc(ccc1OCc2cncnc2)I 34a_100000753495_100015196519 [0,2,0,0,0,0|2,0,0]=4 18431 B17R2.5360 Nc1cc(ccc1OCc2cncnc2)I 7a_100000753495_100015196519 [0,2,0,0,0,0|2,0,0]=4 18432 B17R2.5360 Nc1cc(ccc1SCc2ccccc2)Br 62a_100000211182_100000743836 [0,2,0,0,0,0|2,0,0]=4 18433 B17R2.5360 Nc1cc(ccc1SCc2ccccc2)Br 62a_100000743836_100015291786 [0,2,0,0,0,0|2,0,0]=4 18434 B17R2.5360 Nc1cc(ccc1SCc2ccccc2)Cl 62a_100000211182_100000761886 [0,2,0,0,0,0|2,0,0]=4 18435 B17R2.5360 Nc1cc(ccc1SCc2ccccc2)Cl 62a_100000761886_100015291786 [0,2,0,0,0,0|2,0,0]=4 18436 B17R2.5360 Nc1cc(ccc1SCc2ccccc2)F 62a_100000211182_100000687223 [0,2,0,0,0,0|2,0,0]=4 18437 B17R2.5360 Nc1cc(ccc1SCc2ccccc2)F 62a_100000687223_100015291786 [0,2,0,0,0,0|2,0,0]=4 18438 B17R2.5360 Nc1cc(ccc1SCc2ccccc2)O 62a_100000211182_100011999798 [0,2,0,0,0,0|2,0,0]=4 18439 B17R2.5360 Nc1cc(ccc1SCc2ccccc2)O 62a_100011999798_100015291786 [0,2,0,0,0,0|2,0,0]=4 18440 B17R2.5360 Nc1cc(ccc1SCc2cccnc2)Br 62a_100000741622_100000743836 [0,2,0,0,0,0|1,0,0]=3 18441 B17R2.5360 Nc1cc(ccc1SCc2cccnc2)Br 62a_100000743836_100000741622 [0,2,0,0,0,0|1,0,0]=3 18442 B17R2.5360 Nc1cc(ccc1SCc2cccnc2)Cl 62a_100000741622_100000761886 [0,2,0,0,0,0|1,0,0]=3 18443 B17R2.5360 Nc1cc(ccc1SCc2cccnc2)Cl 62a_100000761886_100000741622 [0,2,0,0,0,0|1,0,0]=3 18444 B17R2.5360 Nc1cc(ccc1SCc2cccnc2)F 62a_100000687223_100000741622 [0,2,0,0,0,0|1,0,0]=3 18445 B17R2.5360 Nc1cc(ccc1SCc2cccnc2)F 62a_100000741622_100000687223 [0,2,0,0,0,0|1,0,0]=3 18446 B17R2.5360 Nc1cc(ccc1SCc2cccnc2)O 62a_100000741622_100011999798 [0,2,0,0,0,0|1,0,0]=3 18447 B17R2.5360 Nc1cc(ccc1SCc2cccnc2)O 62a_100011999798_100000741622 [0,2,0,0,0,0|1,0,0]=3 18448 B17R2.5360 Nc1cc(ccc1SCc2cccnn2)Br 62a_100000743836_100016990269 [0,2,0,0,0,0|2,0,0]=4 18449 B17R2.5360 Nc1cc(ccc1SCc2cccnn2)Br 62a_100016990269_100000743836 [0,2,0,0,0,0|2,0,0]=4 18450 B17R2.5360 Nc1cc(ccc1SCc2cccnn2)Cl 62a_100000761886_100016990269 [0,2,0,0,0,0|2,0,0]=4 18451 B17R2.5360 Nc1cc(ccc1SCc2cccnn2)Cl 62a_100016990269_100000761886 [0,2,0,0,0,0|2,0,0]=4 18452 B17R2.5360 Nc1cc(ccc1SCc2cccnn2)F 62a_100000687223_100016990269 [0,2,0,0,0,0|2,0,0]=4 18453 B17R2.5360 Nc1cc(ccc1SCc2cccnn2)F 62a_100016990269_100000687223 [0,2,0,0,0,0|2,0,0]=4 18454 B17R2.5360 Nc1cc(ccc1SCc2cccnn2)O 62a_100011999798_100016990269 [0,2,0,0,0,0|2,0,0]=4 18455 B17R2.5360 Nc1cc(ccc1SCc2cccnn2)O 62a_100016990269_100011999798 [0,2,0,0,0,0|2,0,0]=4 18456 B17R2.5360 Nc1cc(ccc1SCc2cnccn2)Br 62a_100000743836_100016995436 [0,2,0,0,0,0|2,0,0]=4 18457 B17R2.5360 Nc1cc(ccc1SCc2cnccn2)Br 62a_100016995436_100000743836 [0,2,0,0,0,0|2,0,0]=4 18458 B17R2.5360 Nc1cc(ccc1SCc2cnccn2)Cl 62a_100000761886_100016995436 [0,2,0,0,0,0|2,0,0]=4 18459 B17R2.5360 Nc1cc(ccc1SCc2cnccn2)Cl 62a_100016995436_100000761886 [0,2,0,0,0,0|2,0,0]=4 18460 B17R2.5360 Nc1cc(ccc1SCc2cnccn2)F 62a_100000687223_100016995436 [0,2,0,0,0,0|2,0,0]=4 18461 B17R2.5360 Nc1cc(ccc1SCc2cnccn2)F 62a_100016995436_100000687223 [0,2,0,0,0,0|2,0,0]=4 18462 B17R2.5360 Nc1cc(ccc1SCc2cnccn2)O 62a_100011999798_100016995436 [0,2,0,0,0,0|2,0,0]=4 18463 B17R2.5360 Nc1cc(ccc1SCc2cnccn2)O 62a_100016995436_100011999798 [0,2,0,0,0,0|2,0,0]=4 18464 B17R2.5360 Nc1cc(ccc1SCc2cncnc2)Br 62a_100000743836_100015196519 [0,2,0,0,0,0|2,0,0]=4 18465 B17R2.5360 Nc1cc(ccc1SCc2cncnc2)Br 62a_100015196519_100000743836 [0,2,0,0,0,0|2,0,0]=4 18466 B17R2.5360 Nc1cc(ccc1SCc2cncnc2)Cl 62a_100000761886_100015196519 [0,2,0,0,0,0|2,0,0]=4 18467 B17R2.5360 Nc1cc(ccc1SCc2cncnc2)Cl 62a_100015196519_100000761886 [0,2,0,0,0,0|2,0,0]=4 18468 B17R2.5360 Nc1cc(ccc1SCc2cncnc2)F 62a_100000687223_100015196519 [0,2,0,0,0,0|2,0,0]=4 18469 B17R2.5360 Nc1cc(ccc1SCc2cncnc2)F 62a_100015196519_100000687223 [0,2,0,0,0,0|2,0,0]=4 18470 B17R2.5360 Nc1cc(ccc1SCc2cncnc2)O 62a_100011999798_100015196519 [0,2,0,0,0,0|2,0,0]=4 18471 B17R2.5360 Nc1cc(ccc1SCc2cncnc2)O 62a_100015196519_100011999798 [0,2,0,0,0,0|2,0,0]=4 18472 B17R2.5360 Nc1cc(cnc1OCc2cccnc2)Br 34a_100000743729_100000733263 [0,2,0,0,0,0|2,0,0]=4 18473 B17R2.5360 Nc1cc(cnc1OCc2cccnc2)Cl 34a_100011998249_100000733263 [0,2,0,0,0,0|2,0,0]=4 18474 B17R2.5360 Nc1cc(cnc1SCc2cccnc2)Br 62a_100000741622_100010090555 [0,2,0,0,0,0|2,0,0]=4 18475 B17R2.5360 Nc1cc(cnc1SCc2cccnc2)Br 62a_100010090555_100000741622 [0,2,0,0,0,0|2,0,0]=4 18476 B17R2.5360 Nc1cc(cnc1SCc2cccnc2)F 62a_100000741622_100009817643 [0,2,0,0,0,0|2,0,0]=4 18477 B17R2.5360 Nc1cc(cnc1SCc2cccnc2)F 62a_100009817643_100000741622 [0,2,0,0,0,0|2,0,0]=4 18478 B17R2.5360 Nc1cc(ncc1OCc2ccccc2)Br 34a_100009819941_100015291786 [0,2,0,0,0,0|2,0,0]=4 18479 B17R2.5360 Nc1cc(ncc1OCc2ccccc2)Br 7a_100009819941_100000211182 [0,2,0,0,0,0|2,0,0]=4 18480 B17R2.5360 Nc1cc(ncc1OCc2cccnc2)Br 34a_100009819941_100000733263 [0,2,0,0,0,0|2,0,0]=4 18481 B17R2.5360 Nc1cc(ncc1OCc2cccnc2)Br 7a_100009819941_100000741622 [0,2,0,0,0,0|2,0,0]=4 18482 B17R2.5360 Nc1cc(ncc1SCc2ccccc2)Cl 62a_100000211182_100010209552 [0,2,0,0,0,0|2,0,0]=4 18483 B17R2.5360 Nc1cc(ncc1SCc2ccccc2)Cl 62a_100010209552_100015291786 [0,2,0,0,0,0|2,0,0]=4 18484 B17R2.5360 Nc1cc(ncc1SCc2cccnc2)Cl 62a_100000741622_100010209552 [0,2,0,0,0,0|2,0,0]=4 18485 B17R2.5360 Nc1cc(ncc1SCc2cccnc2)Cl 62a_100010209552_100000741622 [0,2,0,0,0,0|2,0,0]=4 18486 B17R2.5360 Nc1ccc(c(c1)Br)C=Cc2cccnc2 271570a_100102525586_100000750458 [0,2,0,0,0,0|1,0,1]=4 18487 B17R2.5360 Nc1ccc(c(c1)Br)OCc2ccccc2 34a_100011534360_100015291786 [0,2,0,0,0,0|2,0,0]=4 18488 B17R2.5360 Nc1ccc(c(c1)Br)OCc2ccccc2 7a_100011534360_100000211182 [0,2,0,0,0,0|2,0,0]=4 18489 B17R2.5360 Nc1ccc(c(c1)Br)OCc2cccnc2 34a_100011534360_100000733263 [0,2,0,0,0,0|1,0,0]=3 18490 B17R2.5360 Nc1ccc(c(c1)Br)OCc2cccnc2 7a_100011534360_100000741622 [0,2,0,0,0,0|1,0,0]=3 18491 B17R2.5360 Nc1ccc(c(c1)Br)OCc2cccnn2 34a_100011534360_100016990269 [0,2,0,0,0,0|2,0,0]=4 18492 B17R2.5360 Nc1ccc(c(c1)Br)OCc2cccnn2 7a_100011534360_100016990269 [0,2,0,0,0,0|2,0,0]=4 18493 B17R2.5360 Nc1ccc(c(c1)Br)OCc2cnccn2 34a_100011534360_100016995436 [0,2,0,0,0,0|2,0,0]=4 18494 B17R2.5360 Nc1ccc(c(c1)Br)OCc2cnccn2 7a_100011534360_100016995436 [0,2,0,0,0,0|2,0,0]=4 18495 B17R2.5360 Nc1ccc(c(c1)Br)OCc2cncnc2 34a_100011534360_100015196519 [0,2,0,0,0,0|2,0,0]=4 18496 B17R2.5360 Nc1ccc(c(c1)Br)OCc2cncnc2 7a_100011534360_100015196519 [0,2,0,0,0,0|2,0,0]=4 18497 B17R2.5360 Nc1ccc(c(c1)Br)SCc2ccccc2 62a_100000211182_100000750458 [0,2,0,0,0,0|2,0,0]=4 18498 B17R2.5360 Nc1ccc(c(c1)Br)SCc2ccccc2 62a_100000750458_100015291786 [0,2,0,0,0,0|2,0,0]=4 18499 B17R2.5360 Nc1ccc(c(c1)Br)SCc2cccnc2 62a_100000741622_100000750458 [0,2,0,0,0,0|1,0,0]=3 18500 B17R2.5360 Nc1ccc(c(c1)Br)SCc2cccnc2 62a_100000750458_100000741622 [0,2,0,0,0,0|1,0,0]=3 18501 B17R2.5360 Nc1ccc(c(c1)Br)SCc2cccnn2 62a_100000750458_100016990269 [0,2,0,0,0,0|2,0,0]=4 18502 B17R2.5360 Nc1ccc(c(c1)Br)SCc2cccnn2 62a_100016990269_100000750458 [0,2,0,0,0,0|2,0,0]=4 18503 B17R2.5360 Nc1ccc(c(c1)Br)SCc2cnccn2 62a_100000750458_100016995436 [0,2,0,0,0,0|2,0,0]=4 18504 B17R2.5360 Nc1ccc(c(c1)Br)SCc2cnccn2 62a_100016995436_100000750458 [0,2,0,0,0,0|2,0,0]=4 18505 B17R2.5360 Nc1ccc(c(c1)Br)SCc2cncnc2 62a_100000750458_100015196519 [0,2,0,0,0,0|2,0,0]=4 18506 B17R2.5360 Nc1ccc(c(c1)Br)SCc2cncnc2 62a_100015196519_100000750458 [0,2,0,0,0,0|2,0,0]=4 18507 B17R2.5360 Nc1ccc(c(c1)Cl)C=Cc2cccnc2 271570a_100102525586_100000761885 [0,2,0,0,0,0|1,0,1]=4 18508 B17R2.5360 Nc1ccc(c(c1)Cl)OCc2ccccc2 34a_100000744943_100015291786 [0,2,0,0,0,0|2,0,0]=4 18509 B17R2.5360 Nc1ccc(c(c1)Cl)OCc2ccccc2 7a_100000744943_100000211182 [0,2,0,0,0,0|2,0,0]=4 18510 B17R2.5360 Nc1ccc(c(c1)Cl)OCc2cccnc2 34a_100000744943_100000733263 [0,2,0,0,0,0|1,0,0]=3 18511 B17R2.5360 Nc1ccc(c(c1)Cl)OCc2cccnc2 7a_100000744943_100000741622 [0,2,0,0,0,0|1,0,0]=3 18512 B17R2.5360 Nc1ccc(c(c1)Cl)OCc2cccnn2 34a_100000744943_100016990269 [0,2,0,0,0,0|2,0,0]=4 18513 B17R2.5360 Nc1ccc(c(c1)Cl)OCc2cccnn2 7a_100000744943_100016990269 [0,2,0,0,0,0|2,0,0]=4 18514 B17R2.5360 Nc1ccc(c(c1)Cl)OCc2cnccn2 34a_100000744943_100016995436 [0,2,0,0,0,0|2,0,0]=4 18515 B17R2.5360 Nc1ccc(c(c1)Cl)OCc2cnccn2 7a_100000744943_100016995436 [0,2,0,0,0,0|2,0,0]=4 18516 B17R2.5360 Nc1ccc(c(c1)Cl)OCc2cncnc2 34a_100000744943_100015196519 [0,2,0,0,0,0|2,0,0]=4 18517 B17R2.5360 Nc1ccc(c(c1)Cl)OCc2cncnc2 7a_100000744943_100015196519 [0,2,0,0,0,0|2,0,0]=4 18518 B17R2.5360 Nc1ccc(c(c1)Cl)SCc2ccccc2 62a_100000211182_100000761885 [0,2,0,0,0,0|2,0,0]=4 18519 B17R2.5360 Nc1ccc(c(c1)Cl)SCc2ccccc2 62a_100000761885_100015291786 [0,2,0,0,0,0|2,0,0]=4 18520 B17R2.5360 Nc1ccc(c(c1)Cl)SCc2cccnc2 62a_100000741622_100000761885 [0,2,0,0,0,0|1,0,0]=3 18521 B17R2.5360 Nc1ccc(c(c1)Cl)SCc2cccnc2 62a_100000761885_100000741622 [0,2,0,0,0,0|1,0,0]=3 18522 B17R2.5360 Nc1ccc(c(c1)Cl)SCc2cccnn2 62a_100000761885_100016990269 [0,2,0,0,0,0|2,0,0]=4 18523 B17R2.5360 Nc1ccc(c(c1)Cl)SCc2cccnn2 62a_100016990269_100000761885 [0,2,0,0,0,0|2,0,0]=4 18524 B17R2.5360 Nc1ccc(c(c1)Cl)SCc2cnccn2 62a_100000761885_100016995436 [0,2,0,0,0,0|2,0,0]=4 18525 B17R2.5360 Nc1ccc(c(c1)Cl)SCc2cnccn2 62a_100016995436_100000761885 [0,2,0,0,0,0|2,0,0]=4 18526 B17R2.5360 Nc1ccc(c(c1)Cl)SCc2cncnc2 62a_100000761885_100015196519 [0,2,0,0,0,0|2,0,0]=4 18527 B17R2.5360 Nc1ccc(c(c1)Cl)SCc2cncnc2 62a_100015196519_100000761885 [0,2,0,0,0,0|2,0,0]=4 18528 B17R2.5360 Nc1ccc(c(c1)F)C=Cc2cccnc2 271570a_100102525586_100011356925 [0,2,0,0,0,0|1,0,1]=4 18529 B17R2.5360 Nc1ccc(c(c1)F)OCc2ccccc2 34a_100011220035_100015291786 [0,2,0,0,0,0|2,0,0]=4 18530 B17R2.5360 Nc1ccc(c(c1)F)OCc2ccccc2 7a_100011220035_100000211182 [0,2,0,0,0,0|2,0,0]=4 18531 B17R2.5360 Nc1ccc(c(c1)F)OCc2cccnc2 34a_100011220035_100000733263 [0,2,0,0,0,0|1,0,0]=3 18532 B17R2.5360 Nc1ccc(c(c1)F)OCc2cccnc2 7a_100011220035_100000741622 [0,2,0,0,0,0|1,0,0]=3 18533 B17R2.5360 Nc1ccc(c(c1)F)OCc2cccnn2 34a_100011220035_100016990269 [0,2,0,0,0,0|2,0,0]=4 18534 B17R2.5360 Nc1ccc(c(c1)F)OCc2cccnn2 7a_100011220035_100016990269 [0,2,0,0,0,0|2,0,0]=4 18535 B17R2.5360 Nc1ccc(c(c1)F)OCc2cnccn2 34a_100011220035_100016995436 [0,2,0,0,0,0|2,0,0]=4 18536 B17R2.5360 Nc1ccc(c(c1)F)OCc2cnccn2 7a_100011220035_100016995436 [0,2,0,0,0,0|2,0,0]=4 18537 B17R2.5360 Nc1ccc(c(c1)F)OCc2cncnc2 34a_100011220035_100015196519 [0,2,0,0,0,0|2,0,0]=4 18538 B17R2.5360 Nc1ccc(c(c1)F)OCc2cncnc2 7a_100011220035_100015196519 [0,2,0,0,0,0|2,0,0]=4 18539 B17R2.5360 Nc1ccc(c(c1)F)SCc2ccccc2 62a_100000211182_100011356925 [0,2,0,0,0,0|2,0,0]=4 18540 B17R2.5360 Nc1ccc(c(c1)F)SCc2ccccc2 62a_100011356925_100015291786 [0,2,0,0,0,0|2,0,0]=4 18541 B17R2.5360 Nc1ccc(c(c1)F)SCc2cccnc2 62a_100000741622_100011356925 [0,2,0,0,0,0|1,0,0]=3 18542 B17R2.5360 Nc1ccc(c(c1)F)SCc2cccnc2 62a_100011356925_100000741622 [0,2,0,0,0,0|1,0,0]=3 18543 B17R2.5360 Nc1ccc(c(c1)F)SCc2cccnn2 62a_100011356925_100016990269 [0,2,0,0,0,0|2,0,0]=4 18544 B17R2.5360 Nc1ccc(c(c1)F)SCc2cccnn2 62a_100016990269_100011356925 [0,2,0,0,0,0|2,0,0]=4 18545 B17R2.5360 Nc1ccc(c(c1)F)SCc2cnccn2 62a_100011356925_100016995436 [0,2,0,0,0,0|2,0,0]=4 18546 B17R2.5360 Nc1ccc(c(c1)F)SCc2cnccn2 62a_100016995436_100011356925 [0,2,0,0,0,0|2,0,0]=4 18547 B17R2.5360 Nc1ccc(c(c1)F)SCc2cncnc2 62a_100011356925_100015196519 [0,2,0,0,0,0|2,0,0]=4 18548 B17R2.5360 Nc1ccc(c(c1)F)SCc2cncnc2 62a_100015196519_100011356925 [0,2,0,0,0,0|2,0,0]=4 18549 B17R2.5360 Nc1ccc(c(c1)N)C=Cc2cccnc2 271570a_100102525586_200012175722 [0,2,0,0,0,0|1,0,1]=4 18550 B17R2.5360 Nc1ccc(c(c1)N)OCc2ccccc2 34a_100000725306_100015291786 [0,2,0,0,0,0|2,0,0]=4 18551 B17R2.5360 Nc1ccc(c(c1)N)OCc2cccnc2 34a_100000725306_100000733263 [0,2,0,0,0,0|1,0,0]=3 18552 B17R2.5360 Nc1ccc(c(c1)N)OCc2cccnn2 34a_100000725306_100016990269 [0,2,0,0,0,0|2,0,0]=4 18553 B17R2.5360 Nc1ccc(c(c1)N)OCc2cnccn2 34a_100000725306_100016995436 [0,2,0,0,0,0|2,0,0]=4 18554 B17R2.5360 Nc1ccc(c(c1)N)OCc2cncnc2 34a_100000725306_100015196519 [0,2,0,0,0,0|2,0,0]=4 18555 B17R2.5360 Nc1ccc(c(c1)N)SCc2ccccc2 62a_100000211182_200012175722 [0,2,0,0,0,0|2,0,0]=4 18556 B17R2.5360 Nc1ccc(c(c1)N)SCc2ccccc2 62a_200012175722_100015291786 [0,2,0,0,0,0|2,0,0]=4 18557 B17R2.5360 Nc1ccc(c(c1)N)SCc2cccnc2 62a_100000741622_200012175722 [0,2,0,0,0,0|1,0,0]=3 18558 B17R2.5360 Nc1ccc(c(c1)N)SCc2cccnc2 62a_200012175722_100000741622 [0,2,0,0,0,0|1,0,0]=3 18559 B17R2.5360 Nc1ccc(c(c1)N)SCc2cccnn2 62a_100016990269_200012175722 [0,2,0,0,0,0|2,0,0]=4 18560 B17R2.5360 Nc1ccc(c(c1)N)SCc2cccnn2 62a_200012175722_100016990269 [0,2,0,0,0,0|2,0,0]=4 18561 B17R2.5360 Nc1ccc(c(c1)N)SCc2cnccn2 62a_100016995436_200012175722 [0,2,0,0,0,0|2,0,0]=4 18562 B17R2.5360 Nc1ccc(c(c1)N)SCc2cnccn2 62a_200012175722_100016995436 [0,2,0,0,0,0|2,0,0]=4 18563 B17R2.5360 Nc1ccc(c(c1)N)SCc2cncnc2 62a_100015196519_200012175722 [0,2,0,0,0,0|2,0,0]=4 18564 B17R2.5360 Nc1ccc(c(c1)N)SCc2cncnc2 62a_200012175722_100015196519 [0,2,0,0,0,0|2,0,0]=4 18565 B17R2.5360 Nc1ccc(c(n1)Br)C#Cc2ccccc2 271570a_100000069678_100010734177 [0,2,0,0,0,0|1,0,1]=4 18566 B17R2.5360 Nc1ccc(c(n1)Br)C=Cc2ccccc2 271570a_100102527694_100010734177 [0,2,0,0,0,0|1,0,1]=4 18567 B17R2.5360 Nc1ccc(c(n1)Br)SCc2ccccc2 62a_100000211182_100010734177 [0,2,0,0,0,0|2,0,0]=4 18568 B17R2.5360 Nc1ccc(c(n1)Br)SCc2ccccc2 62a_100010734177_100015291786 [0,2,0,0,0,0|2,0,0]=4 18569 B17R2.5360 Nc1ccc(c(n1)Br)SCc2cccnc2 62a_100000741622_100010734177 [0,2,0,0,0,0|2,0,0]=4 18570 B17R2.5360 Nc1ccc(c(n1)Br)SCc2cccnc2 62a_100010734177_100000741622 [0,2,0,0,0,0|2,0,0]=4 18571 B17R2.5360 Nc1ccc(c(n1)Cl)C#Cc2ccccc2 271570a_100000069678_100010270343 [0,2,0,0,0,0|1,0,1]=4 18572 B17R2.5360 Nc1ccc(c(n1)Cl)C=Cc2ccccc2 271570a_100102527694_100010270343 [0,2,0,0,0,0|1,0,1]=4 18573 B17R2.5360 Nc1ccc(c(n1)Cl)SCc2ccccc2 62a_100000211182_100010270343 [0,2,0,0,0,0|2,0,0]=4 18574 B17R2.5360 Nc1ccc(c(n1)Cl)SCc2ccccc2 62a_100010270343_100015291786 [0,2,0,0,0,0|2,0,0]=4 18575 B17R2.5360 Nc1ccc(c(n1)Cl)SCc2cccnc2 62a_100000741622_100010270343 [0,2,0,0,0,0|2,0,0]=4 18576 B17R2.5360 Nc1ccc(c(n1)Cl)SCc2cccnc2 62a_100010270343_100000741622 [0,2,0,0,0,0|2,0,0]=4 18577 B17R2.5360 Nc1ccc(c(n1)F)C#Cc2ccccc2 271570a_100000069678_100009882772 [0,2,0,0,0,0|1,0,1]=4 18578 B17R2.5360 Nc1ccc(c(n1)F)C=Cc2ccccc2 271570a_100102527694_100009882772 [0,2,0,0,0,0|1,0,1]=4 18579 B17R2.5360 Nc1ccc(c(n1)F)SCc2ccccc2 62a_100000211182_100009882772 [0,2,0,0,0,0|2,0,0]=4 18580 B17R2.5360 Nc1ccc(c(n1)F)SCc2ccccc2 62a_100009882772_100015291786 [0,2,0,0,0,0|2,0,0]=4 18581 B17R2.5360 Nc1ccc(c(n1)F)SCc2cccnc2 62a_100000741622_100009882772 [0,2,0,0,0,0|2,0,0]=4 18582 B17R2.5360 Nc1ccc(c(n1)F)SCc2cccnc2 62a_100009882772_100000741622 [0,2,0,0,0,0|2,0,0]=4 18583 B17R2.5360 Nc1ccc(c(n1)N)C#Cc2ccccc2 271570a_100000069678_100011356871 [0,2,0,0,0,0|1,0,1]=4 18584 B17R2.5360 Nc1ccc(c(n1)N)C=Cc2ccccc2 271570a_100102527694_100011356871 [0,2,0,0,0,0|1,0,1]=4 18585 B17R2.5360 Nc1ccc(c(n1)N)SCc2ccccc2 62a_100011356871_100015291786 [0,2,0,0,0,0|2,0,0]=4 18586 B17R2.5360 Nc1ccc(c(n1)N)SCc2cccnc2 62a_100011356871_100000741622 [0,2,0,0,0,0|2,0,0]=4 18587 B17R2.5360 Nc1cnc(c(c1)F)SCc2cccnc2 62a_100000741622_100010280766 [0,2,0,0,0,0|2,0,0]=4 18588 B17R2.5360 Nc1cnc(c(c1)F)SCc2cccnc2 62a_100010280766_100000741622 [0,2,0,0,0,0|2,0,0]=4 18589 B17R2.5360 Nc1cnc(c(c1)N)SCc2cccnc2 62a_100000741622_200000093520 [0,2,0,0,0,0|2,0,0]=4 18590 B17R2.5360 Nc1cnc(c(c1)N)SCc2cccnc2 62a_200000093520_100000741622 [0,2,0,0,0,0|2,0,0]=4 18591 B17R2.5360 Nc1nc(ccc1C#Cc2ccccc2)Cl 271570a_100000069678_100010171640 [0,2,0,0,0,0|1,0,1]=4 18592 B17R2.5360 Nc1nc(ccc1C#Cc2ccccc2)F 271570a_100000069678_100009854977 [0,2,0,0,0,0|1,0,1]=4 18593 B17R2.5360 Nc1nc(ccc1C=Cc2ccccc2)Cl 271570a_100102527694_100010171640 [0,2,0,0,0,0|1,0,1]=4 18594 B17R2.5360 Nc1nc(ccc1C=Cc2ccccc2)F 271570a_100102527694_100009854977 [0,2,0,0,0,0|1,0,1]=4 18595 B17R2.5360 Nc1nc(ccc1OCc2ccccc2)Br 34a_100000685527_100015291786 [0,2,0,0,0,0|2,0,0]=4 18596 B17R2.5360 Nc1nc(ccc1OCc2ccccc2)Br 7a_100000685527_100000211182 [0,2,0,0,0,0|2,0,0]=4 18597 B17R2.5360 Nc1nc(ccc1OCc2ccccc2)Cl 34a_100000717809_100015291786 [0,2,0,0,0,0|2,0,0]=4 18598 B17R2.5360 Nc1nc(ccc1OCc2ccccc2)Cl 7a_100000717809_100000211182 [0,2,0,0,0,0|2,0,0]=4 18599 B17R2.5360 Nc1nc(ccc1OCc2cccnc2)Br 34a_100000685527_100000733263 [0,2,0,0,0,0|2,0,0]=4 18600 B17R2.5360 Nc1nc(ccc1OCc2cccnc2)Br 7a_100000685527_100000741622 [0,2,0,0,0,0|2,0,0]=4 18601 B17R2.5360 Nc1nc(ccc1OCc2cccnc2)Cl 34a_100000717809_100000733263 [0,2,0,0,0,0|2,0,0]=4 18602 B17R2.5360 Nc1nc(ccc1OCc2cccnc2)Cl 7a_100000717809_100000741622 [0,2,0,0,0,0|2,0,0]=4 18603 B17R2.5360 Nc1nc(ccc1SCc2ccccc2)Cl 62a_100000211182_100010171640 [0,2,0,0,0,0|2,0,0]=4 18604 B17R2.5360 Nc1nc(ccc1SCc2ccccc2)Cl 62a_100010171640_100015291786 [0,2,0,0,0,0|2,0,0]=4 18605 B17R2.5360 Nc1nc(ccc1SCc2ccccc2)F 62a_100000211182_100009854977 [0,2,0,0,0,0|2,0,0]=4 18606 B17R2.5360 Nc1nc(ccc1SCc2ccccc2)F 62a_100009854977_100015291786 [0,2,0,0,0,0|2,0,0]=4 18607 B17R2.5360 Nc1nc(ccc1SCc2cccnc2)Cl 62a_100000741622_100010171640 [0,2,0,0,0,0|2,0,0]=4 18608 B17R2.5360 Nc1nc(ccc1SCc2cccnc2)Cl 62a_100010171640_100000741622 [0,2,0,0,0,0|2,0,0]=4 18609 B17R2.5360 Nc1nc(ccc1SCc2cccnc2)F 62a_100000741622_100009854977 [0,2,0,0,0,0|2,0,0]=4 18610 B17R2.5360 Nc1nc(ccc1SCc2cccnc2)F 62a_100009854977_100000741622 [0,2,0,0,0,0|2,0,0]=4 18611 B17R2.5360 O=c1cc(c(c[nH]1)SCc2cccnc2)F 62a_100000741622_100015631685 [0,2,0,0,0,0|2,0,0]=4 18612 B17R2.5360 O=c1cc(c(c[nH]1)SCc2cccnc2)F 62a_100015631685_100000741622 [0,2,0,0,0,0|2,0,0]=4 18613 B17R2.5360 Oc1cc(ccc1C=Cc2cccnc2)Br 271570a_100102525586_100012344904 [0,2,0,0,0,0|1,0,1]=4 18614 B17R2.5360 Oc1cc(ccc1C=Cc2cccnc2)Cl 271570a_100102525586_100000050036 [0,2,0,0,0,0|1,0,1]=4 18615 B17R2.5360 Oc1cc(ccc1C=Cc2cccnc2)F 271570a_100102525586_100000690578 [0,2,0,0,0,0|1,0,1]=4 18616 B17R2.5360 Oc1cc(ccc1NCc2ccccc2)Br 34a_100000739049_100015291786 [0,2,0,0,0,0|1,0,0]=3 18617 B17R2.5360 Oc1cc(ccc1NCc2ccccc2)Cl 34a_100000185728_100015291786 [0,2,0,0,0,0|1,0,0]=3 18618 B17R2.5360 Oc1cc(ccc1NCc2ccccc2)F 34a_100000753323_100015291786 [0,2,0,0,0,0|1,0,0]=3 18619 B17R2.5360 Oc1cc(ccc1NCc2ccccn2)Br 34a_100000739049_100000721315 [0,2,0,0,0,0|2,0,0]=4 18620 B17R2.5360 Oc1cc(ccc1NCc2ccccn2)Cl 34a_100000185728_100000721315 [0,2,0,0,0,0|2,0,0]=4 18621 B17R2.5360 Oc1cc(ccc1NCc2ccccn2)F 34a_100000753323_100000721315 [0,2,0,0,0,0|2,0,0]=4 18622 B17R2.5360 Oc1cc(ccc1NCc2cccnc2)Br 34a_100000739049_100000733263 [0,2,0,0,0,0|0,0,0]=2 18623 B17R2.5360 Oc1cc(ccc1NCc2cccnc2)Cl 34a_100000185728_100000733263 [0,2,0,0,0,0|0,0,0]=2 18624 B17R2.5360 Oc1cc(ccc1NCc2cccnc2)F 34a_100000753323_100000733263 [0,2,0,0,0,0|0,0,0]=2 18625 B17R2.5360 Oc1cc(ccc1NCc2cccnn2)Br 34a_100000739049_100016990269 [0,2,0,0,0,0|1,0,0]=3 18626 B17R2.5360 Oc1cc(ccc1NCc2cccnn2)Cl 34a_100000185728_100016990269 [0,2,0,0,0,0|1,0,0]=3 18627 B17R2.5360 Oc1cc(ccc1NCc2cccnn2)F 34a_100000753323_100016990269 [0,2,0,0,0,0|1,0,0]=3 18628 B17R2.5360 Oc1cc(ccc1NCc2cnccn2)Br 34a_100000739049_100016995436 [0,2,0,0,0,0|1,0,0]=3 18629 B17R2.5360 Oc1cc(ccc1NCc2cnccn2)Cl 34a_100000185728_100016995436 [0,2,0,0,0,0|1,0,0]=3 18630 B17R2.5360 Oc1cc(ccc1NCc2cnccn2)F 34a_100000753323_100016995436 [0,2,0,0,0,0|1,0,0]=3 18631 B17R2.5360 Oc1cc(ccc1NCc2cncnc2)Br 34a_100000739049_100015196519 [0,2,0,0,0,0|1,0,0]=3 18632 B17R2.5360 Oc1cc(ccc1NCc2cncnc2)Cl 34a_100000185728_100015196519 [0,2,0,0,0,0|1,0,0]=3 18633 B17R2.5360 Oc1cc(ccc1NCc2cncnc2)F 34a_100000753323_100015196519 [0,2,0,0,0,0|1,0,0]=3 18634 B17R2.5360 Oc1cc(ccc1OCc2ccccc2)F 271570a_203496583355_200000151671 [0,2,0,0,0,0|2,0,0]=4 18635 B17R2.5360 Oc1cc(ccc1SCc2ccccc2)Br 62a_100000211182_100012344904 [0,2,0,0,0,0|2,0,0]=4 18636 B17R2.5360 Oc1cc(ccc1SCc2ccccc2)Br 62a_100012344904_100015291786 [0,2,0,0,0,0|2,0,0]=4 18637 B17R2.5360 Oc1cc(ccc1SCc2ccccc2)Cl 62a_100000050036_100015291786 [0,2,0,0,0,0|2,0,0]=4 18638 B17R2.5360 Oc1cc(ccc1SCc2ccccc2)Cl 62a_100000211182_100000050036 [0,2,0,0,0,0|2,0,0]=4 18639 B17R2.5360 Oc1cc(ccc1SCc2ccccc2)F 62a_100000211182_100000690578 [0,2,0,0,0,0|2,0,0]=4 18640 B17R2.5360 Oc1cc(ccc1SCc2ccccc2)F 62a_100000690578_100015291786 [0,2,0,0,0,0|2,0,0]=4 18641 B17R2.5360 Oc1cc(ccc1SCc2cccnc2)Br 62a_100000741622_100012344904 [0,2,0,0,0,0|1,0,0]=3 18642 B17R2.5360 Oc1cc(ccc1SCc2cccnc2)Br 62a_100012344904_100000741622 [0,2,0,0,0,0|1,0,0]=3 18643 B17R2.5360 Oc1cc(ccc1SCc2cccnc2)Cl 62a_100000050036_100000741622 [0,2,0,0,0,0|1,0,0]=3 18644 B17R2.5360 Oc1cc(ccc1SCc2cccnc2)Cl 62a_100000741622_100000050036 [0,2,0,0,0,0|1,0,0]=3 18645 B17R2.5360 Oc1cc(ccc1SCc2cccnc2)F 62a_100000690578_100000741622 [0,2,0,0,0,0|1,0,0]=3 18646 B17R2.5360 Oc1cc(ccc1SCc2cccnc2)F 62a_100000741622_100000690578 [0,2,0,0,0,0|1,0,0]=3 18647 B17R2.5360 Oc1cc(ccc1SCc2cccnn2)Br 62a_100012344904_100016990269 [0,2,0,0,0,0|2,0,0]=4 18648 B17R2.5360 Oc1cc(ccc1SCc2cccnn2)Br 62a_100016990269_100012344904 [0,2,0,0,0,0|2,0,0]=4 18649 B17R2.5360 Oc1cc(ccc1SCc2cccnn2)Cl 62a_100000050036_100016990269 [0,2,0,0,0,0|2,0,0]=4 18650 B17R2.5360 Oc1cc(ccc1SCc2cccnn2)Cl 62a_100016990269_100000050036 [0,2,0,0,0,0|2,0,0]=4 18651 B17R2.5360 Oc1cc(ccc1SCc2cccnn2)F 62a_100000690578_100016990269 [0,2,0,0,0,0|2,0,0]=4 18652 B17R2.5360 Oc1cc(ccc1SCc2cccnn2)F 62a_100016990269_100000690578 [0,2,0,0,0,0|2,0,0]=4 18653 B17R2.5360 Oc1cc(ccc1SCc2cnccn2)Br 62a_100012344904_100016995436 [0,2,0,0,0,0|2,0,0]=4 18654 B17R2.5360 Oc1cc(ccc1SCc2cnccn2)Br 62a_100016995436_100012344904 [0,2,0,0,0,0|2,0,0]=4 18655 B17R2.5360 Oc1cc(ccc1SCc2cnccn2)Cl 62a_100000050036_100016995436 [0,2,0,0,0,0|2,0,0]=4 18656 B17R2.5360 Oc1cc(ccc1SCc2cnccn2)Cl 62a_100016995436_100000050036 [0,2,0,0,0,0|2,0,0]=4 18657 B17R2.5360 Oc1cc(ccc1SCc2cnccn2)F 62a_100000690578_100016995436 [0,2,0,0,0,0|2,0,0]=4 18658 B17R2.5360 Oc1cc(ccc1SCc2cnccn2)F 62a_100016995436_100000690578 [0,2,0,0,0,0|2,0,0]=4 18659 B17R2.5360 Oc1cc(ccc1SCc2cncnc2)Br 62a_100012344904_100015196519 [0,2,0,0,0,0|2,0,0]=4 18660 B17R2.5360 Oc1cc(ccc1SCc2cncnc2)Br 62a_100015196519_100012344904 [0,2,0,0,0,0|2,0,0]=4 18661 B17R2.5360 Oc1cc(ccc1SCc2cncnc2)Cl 62a_100000050036_100015196519 [0,2,0,0,0,0|2,0,0]=4 18662 B17R2.5360 Oc1cc(ccc1SCc2cncnc2)Cl 62a_100015196519_100000050036 [0,2,0,0,0,0|2,0,0]=4 18663 B17R2.5360 Oc1cc(ccc1SCc2cncnc2)F 62a_100000690578_100015196519 [0,2,0,0,0,0|2,0,0]=4 18664 B17R2.5360 Oc1cc(ccc1SCc2cncnc2)F 62a_100015196519_100000690578 [0,2,0,0,0,0|2,0,0]=4 18665 B17R2.5360 Oc1cc(cnc1SCc2cccnc2)Br 62a_100000741622_100010210634 [0,2,0,0,0,0|2,0,0]=4 18666 B17R2.5360 Oc1cc(cnc1SCc2cccnc2)Br 62a_100010210634_100000741622 [0,2,0,0,0,0|2,0,0]=4 18667 B17R2.5360 Oc1cc(cnc1SCc2cccnc2)Cl 62a_100000741622_100010233512 [0,2,0,0,0,0|2,0,0]=4 18668 B17R2.5360 Oc1cc(cnc1SCc2cccnc2)Cl 62a_100010233512_100000741622 [0,2,0,0,0,0|2,0,0]=4 18669 B17R2.5360 Oc1cc(cnc1SCc2cccnc2)F 62a_100000741622_100000079967 [0,2,0,0,0,0|2,0,0]=4 18670 B17R2.5360 Oc1cc(cnc1SCc2cccnc2)F 62a_100009820119_100000741622 [0,2,0,0,0,0|2,0,0]=4 18671 B17R2.5360 Oc1ccc(c(c1)Br)C=Cc2cccnc2 271570a_100102525586_100000701344 [0,2,0,0,0,0|1,0,1]=4 18672 B17R2.5360 Oc1ccc(c(c1)Br)NCc2ccccc2 34a_100012001276_100015291786 [0,2,0,0,0,0|1,0,0]=3 18673 B17R2.5360 Oc1ccc(c(c1)Br)NCc2ccccn2 34a_100012001276_100000721315 [0,2,0,0,0,0|2,0,0]=4 18674 B17R2.5360 Oc1ccc(c(c1)Br)NCc2cccnc2 34a_100012001276_100000733263 [0,2,0,0,0,0|0,0,0]=2 18675 B17R2.5360 Oc1ccc(c(c1)Br)NCc2cccnn2 34a_100012001276_100016990269 [0,2,0,0,0,0|1,0,0]=3 18676 B17R2.5360 Oc1ccc(c(c1)Br)NCc2cnccn2 34a_100012001276_100016995436 [0,2,0,0,0,0|1,0,0]=3 18677 B17R2.5360 Oc1ccc(c(c1)Br)NCc2cncnc2 34a_100012001276_100015196519 [0,2,0,0,0,0|1,0,0]=3 18678 B17R2.5360 Oc1ccc(c(c1)Br)SCc2ccccc2 62a_100000211182_100000701344 [0,2,0,0,0,0|2,0,0]=4 18679 B17R2.5360 Oc1ccc(c(c1)Br)SCc2ccccc2 62a_100000701344_100015291786 [0,2,0,0,0,0|2,0,0]=4 18680 B17R2.5360 Oc1ccc(c(c1)Br)SCc2cccnc2 62a_100000701344_100000741622 [0,2,0,0,0,0|1,0,0]=3 18681 B17R2.5360 Oc1ccc(c(c1)Br)SCc2cccnc2 62a_100000741622_100000701344 [0,2,0,0,0,0|1,0,0]=3 18682 B17R2.5360 Oc1ccc(c(c1)Br)SCc2cccnn2 62a_100000701344_100016990269 [0,2,0,0,0,0|2,0,0]=4 18683 B17R2.5360 Oc1ccc(c(c1)Br)SCc2cccnn2 62a_100016990269_100000701344 [0,2,0,0,0,0|2,0,0]=4 18684 B17R2.5360 Oc1ccc(c(c1)Br)SCc2cnccn2 62a_100000701344_100016995436 [0,2,0,0,0,0|2,0,0]=4 18685 B17R2.5360 Oc1ccc(c(c1)Br)SCc2cnccn2 62a_100016995436_100000701344 [0,2,0,0,0,0|2,0,0]=4 18686 B17R2.5360 Oc1ccc(c(c1)Br)SCc2cncnc2 62a_100000701344_100015196519 [0,2,0,0,0,0|2,0,0]=4 18687 B17R2.5360 Oc1ccc(c(c1)Br)SCc2cncnc2 62a_100015196519_100000701344 [0,2,0,0,0,0|2,0,0]=4 18688 B17R2.5360 Oc1ccc(c(c1)Cl)C=Cc2cccnc2 271570a_100102525586_100000047559 [0,2,0,0,0,0|1,0,1]=4 18689 B17R2.5360 Oc1ccc(c(c1)Cl)NCc2ccccc2 34a_100011215599_100015291786 [0,2,0,0,0,0|1,0,0]=3 18690 B17R2.5360 Oc1ccc(c(c1)Cl)NCc2ccccn2 34a_100011215599_100000721315 [0,2,0,0,0,0|2,0,0]=4 18691 B17R2.5360 Oc1ccc(c(c1)Cl)NCc2cccnc2 34a_100011215599_100000733263 [0,2,0,0,0,0|0,0,0]=2 18692 B17R2.5360 Oc1ccc(c(c1)Cl)NCc2cccnn2 34a_100011215599_100016990269 [0,2,0,0,0,0|1,0,0]=3 18693 B17R2.5360 Oc1ccc(c(c1)Cl)NCc2cnccn2 34a_100011215599_100016995436 [0,2,0,0,0,0|1,0,0]=3 18694 B17R2.5360 Oc1ccc(c(c1)Cl)NCc2cncnc2 34a_100011215599_100015196519 [0,2,0,0,0,0|1,0,0]=3 18695 B17R2.5360 Oc1ccc(c(c1)Cl)SCc2ccccc2 62a_100000047559_100015291786 [0,2,0,0,0,0|2,0,0]=4 18696 B17R2.5360 Oc1ccc(c(c1)Cl)SCc2ccccc2 62a_100000211182_100000047559 [0,2,0,0,0,0|2,0,0]=4 18697 B17R2.5360 Oc1ccc(c(c1)Cl)SCc2cccnc2 62a_100000047559_100000741622 [0,2,0,0,0,0|1,0,0]=3 18698 B17R2.5360 Oc1ccc(c(c1)Cl)SCc2cccnc2 62a_100000741622_100000047559 [0,2,0,0,0,0|1,0,0]=3 18699 B17R2.5360 Oc1ccc(c(c1)Cl)SCc2cccnn2 62a_100000047559_100016990269 [0,2,0,0,0,0|2,0,0]=4 18700 B17R2.5360 Oc1ccc(c(c1)Cl)SCc2cccnn2 62a_100016990269_100000047559 [0,2,0,0,0,0|2,0,0]=4 18701 B17R2.5360 Oc1ccc(c(c1)Cl)SCc2cnccn2 62a_100000047559_100016995436 [0,2,0,0,0,0|2,0,0]=4 18702 B17R2.5360 Oc1ccc(c(c1)Cl)SCc2cnccn2 62a_100016995436_100000047559 [0,2,0,0,0,0|2,0,0]=4 18703 B17R2.5360 Oc1ccc(c(c1)Cl)SCc2cncnc2 62a_100000047559_100015196519 [0,2,0,0,0,0|2,0,0]=4 18704 B17R2.5360 Oc1ccc(c(c1)Cl)SCc2cncnc2 62a_100015196519_100000047559 [0,2,0,0,0,0|2,0,0]=4 18705 B17R2.5360 Oc1ccc(c(c1)F)C=Cc2cccnc2 271570a_100102525586_100000755031 [0,2,0,0,0,0|1,0,1]=4 18706 B17R2.5360 Oc1ccc(c(c1)F)NCc2ccccc2 34a_100000759473_100015291786 [0,2,0,0,0,0|1,0,0]=3 18707 B17R2.5360 Oc1ccc(c(c1)F)NCc2ccccn2 34a_100000759473_100000721315 [0,2,0,0,0,0|2,0,0]=4 18708 B17R2.5360 Oc1ccc(c(c1)F)NCc2cccnc2 34a_100000759473_100000733263 [0,2,0,0,0,0|0,0,0]=2 18709 B17R2.5360 Oc1ccc(c(c1)F)NCc2cccnn2 34a_100000759473_100016990269 [0,2,0,0,0,0|1,0,0]=3 18710 B17R2.5360 Oc1ccc(c(c1)F)NCc2cnccn2 34a_100000759473_100016995436 [0,2,0,0,0,0|1,0,0]=3 18711 B17R2.5360 Oc1ccc(c(c1)F)NCc2cncnc2 34a_100000759473_100015196519 [0,2,0,0,0,0|1,0,0]=3 18712 B17R2.5360 Oc1ccc(c(c1)F)OCc2ccccc2 271570a_203496583355_200009811563 [0,2,0,0,0,0|2,0,0]=4 18713 B17R2.5360 Oc1ccc(c(c1)F)SCc2ccccc2 62a_100000211182_100000755031 [0,2,0,0,0,0|2,0,0]=4 18714 B17R2.5360 Oc1ccc(c(c1)F)SCc2ccccc2 62a_100000755031_100015291786 [0,2,0,0,0,0|2,0,0]=4 18715 B17R2.5360 Oc1ccc(c(c1)F)SCc2cccnc2 62a_100000741622_100000755031 [0,2,0,0,0,0|1,0,0]=3 18716 B17R2.5360 Oc1ccc(c(c1)F)SCc2cccnc2 62a_100000755031_100000741622 [0,2,0,0,0,0|1,0,0]=3 18717 B17R2.5360 Oc1ccc(c(c1)F)SCc2cccnn2 62a_100000755031_100016990269 [0,2,0,0,0,0|2,0,0]=4 18718 B17R2.5360 Oc1ccc(c(c1)F)SCc2cccnn2 62a_100016990269_100000755031 [0,2,0,0,0,0|2,0,0]=4 18719 B17R2.5360 Oc1ccc(c(c1)F)SCc2cnccn2 62a_100000755031_100016995436 [0,2,0,0,0,0|2,0,0]=4 18720 B17R2.5360 Oc1ccc(c(c1)F)SCc2cnccn2 62a_100016995436_100000755031 [0,2,0,0,0,0|2,0,0]=4 18721 B17R2.5360 Oc1ccc(c(c1)F)SCc2cncnc2 62a_100000755031_100015196519 [0,2,0,0,0,0|2,0,0]=4 18722 B17R2.5360 Oc1ccc(c(c1)F)SCc2cncnc2 62a_100015196519_100000755031 [0,2,0,0,0,0|2,0,0]=4 18723 B17R2.5360 Oc1ccc(c(c1)I)NCc2ccccc2 34a_100010084370_100015291786 [0,2,0,0,0,0|1,0,0]=3 18724 B17R2.5360 Oc1ccc(c(c1)I)NCc2ccccn2 34a_100010084370_100000721315 [0,2,0,0,0,0|2,0,0]=4 18725 B17R2.5360 Oc1ccc(c(c1)I)NCc2cccnc2 34a_100010084370_100000733263 [0,2,0,0,0,0|0,0,0]=2 18726 B17R2.5360 Oc1ccc(c(c1)I)NCc2cccnn2 34a_100010084370_100016990269 [0,2,0,0,0,0|1,0,0]=3 18727 B17R2.5360 Oc1ccc(c(c1)I)NCc2cnccn2 34a_100010084370_100016995436 [0,2,0,0,0,0|1,0,0]=3 18728 B17R2.5360 Oc1ccc(c(c1)I)NCc2cncnc2 34a_100010084370_100015196519 [0,2,0,0,0,0|1,0,0]=3 18729 B17R2.5360 Oc1ccc(c(c1)O)C=Cc2cccnc2 271570a_100102525586_100009813921 [0,2,0,0,0,0|1,0,1]=4 18730 B17R2.5360 Oc1ccc(c(c1)O)NCc2ccccc2 34a_100000106777_100015291786 [0,2,0,0,0,0|1,0,0]=3 18731 B17R2.5360 Oc1ccc(c(c1)O)NCc2ccccn2 34a_100000106777_100000721315 [0,2,0,0,0,0|2,0,0]=4 18732 B17R2.5360 Oc1ccc(c(c1)O)NCc2cccnc2 34a_100000106777_100000733263 [0,2,0,0,0,0|0,0,0]=2 18733 B17R2.5360 Oc1ccc(c(c1)O)NCc2cccnn2 34a_100000106777_100016990269 [0,2,0,0,0,0|1,0,0]=3 18734 B17R2.5360 Oc1ccc(c(c1)O)NCc2cnccn2 34a_100000106777_100016995436 [0,2,0,0,0,0|1,0,0]=3 18735 B17R2.5360 Oc1ccc(c(c1)O)NCc2cncnc2 34a_100000106777_100015196519 [0,2,0,0,0,0|1,0,0]=3 18736 B17R2.5360 Oc1ccc(c(c1)O)SCc2ccccc2 62a_100000211182_100009813921 [0,2,0,0,0,0|2,0,0]=4 18737 B17R2.5360 Oc1ccc(c(c1)O)SCc2cccnc2 62a_100000741622_100009813921 [0,2,0,0,0,0|1,0,0]=3 18738 B17R2.5360 Oc1ccc(c(c1)O)SCc2cccnn2 62a_100016990269_100009813921 [0,2,0,0,0,0|2,0,0]=4 18739 B17R2.5360 Oc1ccc(c(c1)O)SCc2cnccn2 62a_100016995436_100009813921 [0,2,0,0,0,0|2,0,0]=4 18740 B17R2.5360 Oc1ccc(c(c1)O)SCc2cncnc2 62a_100015196519_100009813921 [0,2,0,0,0,0|2,0,0]=4 18741 B17R2.5360 Oc1ccc(c(n1)F)C#Cc2ccccc2 271570a_100000069678_100009879308 [0,2,0,0,0,0|1,0,1]=4 18742 B17R2.5360 Oc1ccc(c(n1)F)C=Cc2ccccc2 271570a_100102527694_100009879308 [0,2,0,0,0,0|1,0,1]=4 18743 B17R2.5360 Oc1ccc(c(n1)F)SCc2ccccc2 62a_100000211182_100009879308 [0,2,0,0,0,0|2,0,0]=4 18744 B17R2.5360 Oc1ccc(c(n1)F)SCc2ccccc2 62a_100009879308_100015291786 [0,2,0,0,0,0|2,0,0]=4 18745 B17R2.5360 Oc1ccc(c(n1)F)SCc2cccnc2 62a_100000741622_100009879308 [0,2,0,0,0,0|2,0,0]=4 18746 B17R2.5360 Oc1ccc(c(n1)F)SCc2cccnc2 62a_100009879308_100000741622 [0,2,0,0,0,0|2,0,0]=4 18747 B17R2.5360 Oc1cnc(c(c1)F)SCc2cccnc2 62a_100000741622_100000063512 [0,2,0,0,0,0|2,0,0]=4 18748 B17R2.5360 [O-][n+]1cc(ccc1SCc2cccnc2)F 62a_100000741622_100009817261 [0,2,0,0,0,0|2,0,0]=4 18749 B17R2.5360 [O-][n+]1cc(ccc1SCc2cccnc2)F 62a_100009817261_100000741622 [0,2,0,0,0,0|2,0,0]=4 18750 B17R2.5365 Brc1cc(c(cn1)Br)NCc2ccccc2 27a_100015324214_100010171693 [0,2,0,0,0,0|2,0,0]=4 18751 B17R2.5365 Brc1cc(c(cn1)Br)NCc2cccnc2 27a_100000210453_100010171693 [0,2,0,0,0,0|1,0,0]=3 18752 B17R2.5365 Brc1cc(c(cn1)Br)NCc2cccnn2 27a_100159270163_100010171693 [0,2,0,0,0,0|2,0,0]=4 18753 B17R2.5365 Brc1cc(c(cn1)Br)NCc2cnccn2 27a_100000737960_100010171693 [0,2,0,0,0,0|2,0,0]=4 18754 B17R2.5365 Brc1cc(c(cn1)Br)NCc2cncnc2 27a_100011243677_100010171693 [0,2,0,0,0,0|2,0,0]=4 18755 B17R2.5365 Brc1cc(c(cn1)Br)OCc2cccnc2 34a_100010235016_100000733263 [0,2,0,0,0,0|2,0,0]=4 18756 B17R2.5365 Brc1cc(c(cn1)Br)SCc2cccnc2 62a_100000741622_100010171693 [0,2,0,0,0,0|2,0,0]=4 18757 B17R2.5365 Brc1cc(c(cn1)Br)SCc2cccnc2 62a_100010171693_100000741622 [0,2,0,0,0,0|2,0,0]=4 18758 B17R2.5365 Brc1ccc(c(c1)C=Cc2cccnc2)Br 271570a_100102525586_100011483371 [0,2,0,0,0,0|1,0,1]=4 18759 B17R2.5365 Brc1ccc(c(c1)CNc2ccccc2)Br 207a_100000106764_100011266429 [0,2,0,0,0,0|1,0,0]=3 18760 B17R2.5365 Brc1ccc(c(c1)CNc2ccccc2)Br 270302a_100000106764_100011266429 [0,2,0,0,0,0|1,0,0]=3 18761 B17R2.5365 Brc1ccc(c(c1)CNc2ccccc2)Br 34a_100000106764_100011982794 [0,2,0,0,0,0|1,0,0]=3 18762 B17R2.5365 Brc1ccc(c(c1)CNc2ccccc2)I 207a_100000106764_100010185651 [0,2,0,0,0,0|1,0,0]=3 18763 B17R2.5365 Brc1ccc(c(c1)CNc2ccccc2)I 34a_100000106764_100012362523 [0,2,0,0,0,0|1,0,0]=3 18764 B17R2.5365 Brc1ccc(c(c1)COc2ccccc2)Br 34a_100000210340_100011982794 [0,2,0,0,0,0|2,0,0]=4 18765 B17R2.5365 Brc1ccc(c(c1)COc2ccccc2)Br 7a_100000210340_100011982794 [0,2,0,0,0,0|2,0,0]=4 18766 B17R2.5365 Brc1ccc(c(c1)COc2ccccc2)I 34a_100000210340_100012362523 [0,2,0,0,0,0|2,0,0]=4 18767 B17R2.5365 Brc1ccc(c(c1)COc2ccccc2)I 7a_100000210340_100012362523 [0,2,0,0,0,0|2,0,0]=4 18768 B17R2.5365 Brc1ccc(c(c1)COc2cccnc2)Br 34a_100000210849_100011982794 [0,2,0,0,0,0|2,0,0]=4 18769 B17R2.5365 Brc1ccc(c(c1)COc2cccnc2)Br 7a_100000210849_100011982794 [0,2,0,0,0,0|2,0,0]=4 18770 B17R2.5365 Brc1ccc(c(c1)COc2cccnc2)I 34a_100000210849_100012362523 [0,2,0,0,0,0|2,0,0]=4 18771 B17R2.5365 Brc1ccc(c(c1)COc2cccnc2)I 7a_100000210849_100012362523 [0,2,0,0,0,0|2,0,0]=4 18772 B17R2.5365 Brc1ccc(c(c1)CSc2ccccc2)Br 62a_100000719477_100011982794 [0,2,0,0,0,0|2,0,0]=4 18773 B17R2.5365 Brc1ccc(c(c1)CSc2ccccc2)Br 62a_100011982794_100000041952 [0,2,0,0,0,0|2,0,0]=4 18774 B17R2.5365 Brc1ccc(c(c1)CSc2ccccc2)I 62a_100000719477_100012362523 [0,2,0,0,0,0|2,0,0]=4 18775 B17R2.5365 Brc1ccc(c(c1)CSc2ccccc2)I 62a_100012362523_100000041952 [0,2,0,0,0,0|2,0,0]=4 18776 B17R2.5365 Brc1ccc(c(c1)CSc2cccnc2)Br 62a_100000210063_100011982794 [0,2,0,0,0,0|2,0,0]=4 18777 B17R2.5365 Brc1ccc(c(c1)CSc2cccnc2)Br 62a_100011982794_100000210063 [0,2,0,0,0,0|2,0,0]=4 18778 B17R2.5365 Brc1ccc(c(c1)CSc2cccnc2)I 62a_100000210063_100012362523 [0,2,0,0,0,0|2,0,0]=4 18779 B17R2.5365 Brc1ccc(c(c1)CSc2cccnc2)I 62a_100012362523_100000210063 [0,2,0,0,0,0|2,0,0]=4 18780 B17R2.5365 Brc1ccc(c(c1)NCc2ccccc2)Br 34a_100000737762_100015291786 [0,2,0,0,0,0|1,0,0]=3 18781 B17R2.5365 Brc1ccc(c(c1)NCc2ccccc2)I 34a_100000743836_100015291786 [0,2,0,0,0,0|1,0,0]=3 18782 B17R2.5365 Brc1ccc(c(c1)NCc2ccccn2)Br 34a_100000737762_100000721315 [0,2,0,0,0,0|2,0,0]=4 18783 B17R2.5365 Brc1ccc(c(c1)NCc2ccccn2)I 34a_100000743836_100000721315 [0,2,0,0,0,0|2,0,0]=4 18784 B17R2.5365 Brc1ccc(c(c1)NCc2cccnc2)Br 34a_100000737762_100000733263 [0,2,0,0,0,0|0,0,0]=2 18785 B17R2.5365 Brc1ccc(c(c1)NCc2cccnc2)I 34a_100000743836_100000733263 [0,2,0,0,0,0|0,0,0]=2 18786 B17R2.5365 Brc1ccc(c(c1)NCc2cccnn2)Br 34a_100000737762_100016990269 [0,2,0,0,0,0|1,0,0]=3 18787 B17R2.5365 Brc1ccc(c(c1)NCc2cccnn2)I 34a_100000743836_100016990269 [0,2,0,0,0,0|1,0,0]=3 18788 B17R2.5365 Brc1ccc(c(c1)NCc2cnccn2)Br 34a_100000737762_100016995436 [0,2,0,0,0,0|1,0,0]=3 18789 B17R2.5365 Brc1ccc(c(c1)NCc2cnccn2)I 34a_100000743836_100016995436 [0,2,0,0,0,0|1,0,0]=3 18790 B17R2.5365 Brc1ccc(c(c1)NCc2cncnc2)Br 34a_100000737762_100015196519 [0,2,0,0,0,0|1,0,0]=3 18791 B17R2.5365 Brc1ccc(c(c1)NCc2cncnc2)I 34a_100000743836_100015196519 [0,2,0,0,0,0|1,0,0]=3 18792 B17R2.5365 Brc1ccc(c(c1)OCc2ccccc2)Br 34a_100011220040_100015291786 [0,2,0,0,0,0|2,0,0]=4 18793 B17R2.5365 Brc1ccc(c(c1)OCc2ccccc2)Br 7a_100011220040_100000211182 [0,2,0,0,0,0|2,0,0]=4 18794 B17R2.5365 Brc1ccc(c(c1)OCc2ccccc2)I 34a_100012344904_100015291786 [0,2,0,0,0,0|2,0,0]=4 18795 B17R2.5365 Brc1ccc(c(c1)OCc2ccccc2)I 7a_100012344904_100000211182 [0,2,0,0,0,0|2,0,0]=4 18796 B17R2.5365 Brc1ccc(c(c1)OCc2cccnc2)Br 34a_100011220040_100000733263 [0,2,0,0,0,0|1,0,0]=3 18797 B17R2.5365 Brc1ccc(c(c1)OCc2cccnc2)Br 7a_100011220040_100000741622 [0,2,0,0,0,0|1,0,0]=3 18798 B17R2.5365 Brc1ccc(c(c1)OCc2cccnc2)I 34a_100012344904_100000733263 [0,2,0,0,0,0|1,0,0]=3 18799 B17R2.5365 Brc1ccc(c(c1)OCc2cccnc2)I 7a_100012344904_100000741622 [0,2,0,0,0,0|1,0,0]=3 18800 B17R2.5365 Brc1ccc(c(c1)OCc2cccnn2)Br 34a_100011220040_100016990269 [0,2,0,0,0,0|2,0,0]=4 18801 B17R2.5365 Brc1ccc(c(c1)OCc2cccnn2)Br 7a_100011220040_100016990269 [0,2,0,0,0,0|2,0,0]=4 18802 B17R2.5365 Brc1ccc(c(c1)OCc2cccnn2)I 34a_100012344904_100016990269 [0,2,0,0,0,0|2,0,0]=4 18803 B17R2.5365 Brc1ccc(c(c1)OCc2cccnn2)I 7a_100012344904_100016990269 [0,2,0,0,0,0|2,0,0]=4 18804 B17R2.5365 Brc1ccc(c(c1)OCc2cnccn2)Br 34a_100011220040_100016995436 [0,2,0,0,0,0|2,0,0]=4 18805 B17R2.5365 Brc1ccc(c(c1)OCc2cnccn2)Br 7a_100011220040_100016995436 [0,2,0,0,0,0|2,0,0]=4 18806 B17R2.5365 Brc1ccc(c(c1)OCc2cnccn2)I 34a_100012344904_100016995436 [0,2,0,0,0,0|2,0,0]=4 18807 B17R2.5365 Brc1ccc(c(c1)OCc2cnccn2)I 7a_100012344904_100016995436 [0,2,0,0,0,0|2,0,0]=4 18808 B17R2.5365 Brc1ccc(c(c1)OCc2cncnc2)Br 34a_100011220040_100015196519 [0,2,0,0,0,0|2,0,0]=4 18809 B17R2.5365 Brc1ccc(c(c1)OCc2cncnc2)Br 7a_100011220040_100015196519 [0,2,0,0,0,0|2,0,0]=4 18810 B17R2.5365 Brc1ccc(c(c1)OCc2cncnc2)I 34a_100012344904_100015196519 [0,2,0,0,0,0|2,0,0]=4 18811 B17R2.5365 Brc1ccc(c(c1)OCc2cncnc2)I 7a_100012344904_100015196519 [0,2,0,0,0,0|2,0,0]=4 18812 B17R2.5365 Brc1ccc(c(c1)SCc2ccccc2)Br 62a_100000211182_100011483371 [0,2,0,0,0,0|2,0,0]=4 18813 B17R2.5365 Brc1ccc(c(c1)SCc2ccccc2)Br 62a_100011483371_100015291786 [0,2,0,0,0,0|2,0,0]=4 18814 B17R2.5365 Brc1ccc(c(c1)SCc2cccnc2)Br 62a_100000741622_100011483371 [0,2,0,0,0,0|1,0,0]=3 18815 B17R2.5365 Brc1ccc(c(c1)SCc2cccnc2)Br 62a_100011483371_100000741622 [0,2,0,0,0,0|1,0,0]=3 18816 B17R2.5365 Brc1ccc(c(c1)SCc2cccnn2)Br 62a_100011483371_100016990269 [0,2,0,0,0,0|2,0,0]=4 18817 B17R2.5365 Brc1ccc(c(c1)SCc2cccnn2)Br 62a_100016990269_100011483371 [0,2,0,0,0,0|2,0,0]=4 18818 B17R2.5365 Brc1ccc(c(c1)SCc2cnccn2)Br 62a_100011483371_100016995436 [0,2,0,0,0,0|2,0,0]=4 18819 B17R2.5365 Brc1ccc(c(c1)SCc2cnccn2)Br 62a_100016995436_100011483371 [0,2,0,0,0,0|2,0,0]=4 18820 B17R2.5365 Brc1ccc(c(c1)SCc2cncnc2)Br 62a_100011483371_100015196519 [0,2,0,0,0,0|2,0,0]=4 18821 B17R2.5365 Brc1ccc(c(c1)SCc2cncnc2)Br 62a_100015196519_100011483371 [0,2,0,0,0,0|2,0,0]=4 18822 B17R2.5365 Brc1ccc(cc1CNc2ccccc2)I 207a_100000106764_100010185652 [0,2,0,0,0,0|1,0,0]=3 18823 B17R2.5365 Brc1ccc(cc1CNc2ccccc2)I 34a_100000106764_100012355412 [0,2,0,0,0,0|1,0,0]=3 18824 B17R2.5365 Brc1ccc(cc1COc2ccccc2)I 34a_100000210340_100012355412 [0,2,0,0,0,0|2,0,0]=4 18825 B17R2.5365 Brc1ccc(cc1COc2ccccc2)I 7a_100000210340_100012355412 [0,2,0,0,0,0|2,0,0]=4 18826 B17R2.5365 Brc1ccc(cc1COc2cccnc2)I 34a_100000210849_100012355412 [0,2,0,0,0,0|2,0,0]=4 18827 B17R2.5365 Brc1ccc(cc1COc2cccnc2)I 7a_100000210849_100012355412 [0,2,0,0,0,0|2,0,0]=4 18828 B17R2.5365 Brc1ccc(cc1CSc2ccccc2)I 62a_100000719477_100012355412 [0,2,0,0,0,0|2,0,0]=4 18829 B17R2.5365 Brc1ccc(cc1CSc2ccccc2)I 62a_100012355412_100000041952 [0,2,0,0,0,0|2,0,0]=4 18830 B17R2.5365 Brc1ccc(cc1CSc2cccnc2)I 62a_100000210063_100012355412 [0,2,0,0,0,0|2,0,0]=4 18831 B17R2.5365 Brc1ccc(cc1CSc2cccnc2)I 62a_100012355412_100000210063 [0,2,0,0,0,0|2,0,0]=4 18832 B17R2.5365 Brc1ccc(cc1OCc2ccccc2)I 34a_100012356990_100015291786 [0,2,0,0,0,0|2,0,0]=4 18833 B17R2.5365 Brc1ccc(cc1OCc2ccccc2)I 7a_100012356990_100000211182 [0,2,0,0,0,0|2,0,0]=4 18834 B17R2.5365 Brc1ccc(cc1OCc2cccnc2)I 34a_100012356990_100000733263 [0,2,0,0,0,0|1,0,0]=3 18835 B17R2.5365 Brc1ccc(cc1OCc2cccnc2)I 7a_100012356990_100000741622 [0,2,0,0,0,0|1,0,0]=3 18836 B17R2.5365 Brc1ccc(cc1OCc2cccnn2)I 34a_100012356990_100016990269 [0,2,0,0,0,0|2,0,0]=4 18837 B17R2.5365 Brc1ccc(cc1OCc2cccnn2)I 7a_100012356990_100016990269 [0,2,0,0,0,0|2,0,0]=4 18838 B17R2.5365 Brc1ccc(cc1OCc2cnccn2)I 34a_100012356990_100016995436 [0,2,0,0,0,0|2,0,0]=4 18839 B17R2.5365 Brc1ccc(cc1OCc2cnccn2)I 7a_100012356990_100016995436 [0,2,0,0,0,0|2,0,0]=4 18840 B17R2.5365 Brc1ccc(cc1OCc2cncnc2)I 34a_100012356990_100015196519 [0,2,0,0,0,0|2,0,0]=4 18841 B17R2.5365 Brc1ccc(cc1OCc2cncnc2)I 7a_100012356990_100015196519 [0,2,0,0,0,0|2,0,0]=4 18842 B17R2.5365 Brc1cnc(c(c1)CNc2ccccc2)Br 207a_100000106764_100010177830 [0,2,0,0,0,0|0,0,0]=2 18843 B17R2.5365 Brc1cnc(c(c1)CNc2ccccc2)Br 34a_100000106764_100010253922 [0,2,0,0,0,0|0,0,0]=2 18844 B17R2.5365 Brc1cnc(c(c1)COc2ccccc2)Br 34a_100000210340_100010253922 [0,2,0,0,0,0|1,0,0]=3 18845 B17R2.5365 Brc1cnc(c(c1)COc2ccccc2)Br 7a_100000210340_100010253922 [0,2,0,0,0,0|1,0,0]=3 18846 B17R2.5365 Brc1cnc(c(c1)COc2cccnc2)Br 34a_100000210849_100010253922 [0,2,0,0,0,0|2,0,0]=4 18847 B17R2.5365 Brc1cnc(c(c1)COc2cccnc2)Br 7a_100000210849_100010253922 [0,2,0,0,0,0|2,0,0]=4 18848 B17R2.5365 Brc1cnc(c(c1)COc2ccncc2)Br 34a_100000212176_100010253922 [0,2,0,0,0,0|2,0,0]=4 18849 B17R2.5365 Brc1cnc(c(c1)CSc2ccccc2)Br 62a_100000719477_100010253922 [0,2,0,0,0,0|1,0,0]=3 18850 B17R2.5365 Brc1cnc(c(c1)CSc2ccccc2)Br 62a_100010253922_100000041952 [0,2,0,0,0,0|1,0,0]=3 18851 B17R2.5365 Brc1cnc(c(c1)CSc2ccccn2)Br 62a_100010253922_100011216584 [0,2,0,0,0,0|2,0,0]=4 18852 B17R2.5365 Brc1cnc(c(c1)CSc2ccccn2)Br 62a_100011216584_100010253922 [0,2,0,0,0,0|2,0,0]=4 18853 B17R2.5365 Brc1cnc(c(c1)CSc2cccnc2)Br 62a_100000210063_100010253922 [0,2,0,0,0,0|2,0,0]=4 18854 B17R2.5365 Brc1cnc(c(c1)CSc2cccnc2)Br 62a_100010253922_100000210063 [0,2,0,0,0,0|2,0,0]=4 18855 B17R2.5365 Brc1cnc(c(c1)CSc2ccncc2)Br 62a_100000728582_100010253922 [0,2,0,0,0,0|2,0,0]=4 18856 B17R2.5365 Brc1cnc(c(c1)CSc2ccncc2)Br 62a_100010253922_100000728582 [0,2,0,0,0,0|2,0,0]=4 18857 B17R2.5365 Brc1cnc(c(c1)OCc2ccccc2)I 34a_100010210634_100015291786 [0,2,0,0,0,0|2,0,0]=4 18858 B17R2.5365 Brc1cnc(c(c1)OCc2ccccc2)I 7a_100010210634_100000211182 [0,2,0,0,0,0|2,0,0]=4 18859 B17R2.5365 Brc1cnc(c(c1)OCc2cccnc2)I 34a_100010210634_100000733263 [0,2,0,0,0,0|2,0,0]=4 18860 B17R2.5365 Brc1cnc(c(c1)OCc2cccnc2)I 7a_100010210634_100000741622 [0,2,0,0,0,0|2,0,0]=4 18861 B17R2.5365 Cc1cc(c(=O)[nH]n1)NCc2cccnc2 27a_100000210453_100009819039 [0,2,0,0,0,0|2,0,0]=4 18862 B17R2.5365 Cc1cc(c(cn1)Br)OCc2cccnc2 34a_100011016184_100000733263 [0,2,0,0,0,0|2,0,0]=4 18863 B17R2.5365 Cc1cc(c(cn1)C)SCc2cccnc2 62a_100000741622_100009862788 [0,2,0,0,0,0|2,0,0]=4 18864 B17R2.5365 Cc1cc(c(cn1)C)SCc2cccnc2 62a_100009862788_100000741622 [0,2,0,0,0,0|2,0,0]=4 18865 B17R2.5365 Cc1cc(c(cn1)F)NCc2ccccc2 27a_100015324214_100009867690 [0,2,0,0,0,0|2,0,0]=4 18866 B17R2.5365 Cc1cc(c(cn1)F)NCc2cccnc2 27a_100000210453_100009867690 [0,2,0,0,0,0|1,0,0]=3 18867 B17R2.5365 Cc1cc(c(cn1)F)NCc2cccnn2 27a_100159270163_100009867690 [0,2,0,0,0,0|2,0,0]=4 18868 B17R2.5365 Cc1cc(c(cn1)F)NCc2cnccn2 27a_100000737960_100009867690 [0,2,0,0,0,0|2,0,0]=4 18869 B17R2.5365 Cc1cc(c(cn1)F)NCc2cncnc2 27a_100011243677_100009867690 [0,2,0,0,0,0|2,0,0]=4 18870 B17R2.5365 Cc1cc(c(cn1)F)SCc2cccnc2 62a_100000741622_100009867690 [0,2,0,0,0,0|2,0,0]=4 18871 B17R2.5365 Cc1cc(c(cn1)F)SCc2cccnc2 62a_100009867690_100000741622 [0,2,0,0,0,0|2,0,0]=4 18872 B17R2.5365 Cc1cc(c(cn1)O)SCc2cccnc2 62a_100000741622_100009843476 [0,2,0,0,0,0|2,0,0]=4 18873 B17R2.5365 Cc1cc(c(cn1)O)SCc2cccnc2 62a_100009843476_100000741622 [0,2,0,0,0,0|2,0,0]=4 18874 B17R2.5365 Cc1ccc(c(c1)C=Cc2cccnc2)Br 271570a_100102525586_100012353751 [0,2,0,0,0,0|1,0,1]=4 18875 B17R2.5365 Cc1ccc(c(c1)C=Cc2cccnc2)C 271570a_100102525586_100000210833 [0,2,0,0,0,0|1,0,1]=4 18876 B17R2.5365 Cc1ccc(c(c1)C=Cc2cccnc2)Cl 271570a_100102525586_100012356289 [0,2,0,0,0,0|1,0,1]=4 18877 B17R2.5365 Cc1ccc(c(c1)C=Cc2cccnc2)F 271570a_100102525586_100000736223 [0,2,0,0,0,0|1,0,1]=4 18878 B17R2.5365 Cc1ccc(c(c1)C=Cc2cccnc2)N 271570a_100102525586_100000210942 [0,2,0,0,0,0|1,0,1]=4 18879 B17R2.5365 Cc1ccc(c(c1)C=Cc2cccnc2)O 271570a_100102525586_100000765521 [0,2,0,0,0,0|1,0,1]=4 18880 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)Br 207a_100000106764_100011551863 [0,2,0,0,0,0|1,0,0]=3 18881 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)Br 270302a_100000106764_100011551863 [0,2,0,0,0,0|1,0,0]=3 18882 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)C 207a_100000106764_100000211343 [0,2,0,0,0,0|1,0,0]=3 18883 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)C 270302a_100000106764_100000211343 [0,2,0,0,0,0|1,0,0]=3 18884 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)C 34a_100000106764_100000184699 [0,2,0,0,0,0|1,0,0]=3 18885 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)Cl 207a_100000106764_100011551332 [0,2,0,0,0,0|1,0,0]=3 18886 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)Cl 270302a_100000106764_100011551332 [0,2,0,0,0,0|1,0,0]=3 18887 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)Cl 34a_100000106764_100009871730 [0,2,0,0,0,0|1,0,0]=3 18888 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)F 207a_100000106764_100000756917 [0,2,0,0,0,0|1,0,0]=3 18889 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)F 270302a_100000106764_100000756917 [0,2,0,0,0,0|1,0,0]=3 18890 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)F 34a_100000106764_100011260760 [0,2,0,0,0,0|1,0,0]=3 18891 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)I 207a_100000106764_100010150105 [0,2,0,0,0,0|1,0,0]=3 18892 B17R2.5365 Cc1ccc(c(c1)COc2ccccc2)C 34a_100000210340_100000184699 [0,2,0,0,0,0|2,0,0]=4 18893 B17R2.5365 Cc1ccc(c(c1)COc2ccccc2)C 7a_100000210340_100000184699 [0,2,0,0,0,0|2,0,0]=4 18894 B17R2.5365 Cc1ccc(c(c1)COc2ccccc2)Cl 34a_100000210340_100009871730 [0,2,0,0,0,0|2,0,0]=4 18895 B17R2.5365 Cc1ccc(c(c1)COc2ccccc2)Cl 7a_100000210340_100009871730 [0,2,0,0,0,0|2,0,0]=4 18896 B17R2.5365 Cc1ccc(c(c1)COc2ccccc2)F 34a_100000210340_100011260760 [0,2,0,0,0,0|2,0,0]=4 18897 B17R2.5365 Cc1ccc(c(c1)COc2ccccc2)F 7a_100000210340_100011260760 [0,2,0,0,0,0|2,0,0]=4 18898 B17R2.5365 Cc1ccc(c(c1)COc2cccnc2)C 34a_100000210849_100000184699 [0,2,0,0,0,0|2,0,0]=4 18899 B17R2.5365 Cc1ccc(c(c1)COc2cccnc2)C 7a_100000210849_100000184699 [0,2,0,0,0,0|2,0,0]=4 18900 B17R2.5365 Cc1ccc(c(c1)COc2cccnc2)Cl 34a_100000210849_100009871730 [0,2,0,0,0,0|2,0,0]=4 18901 B17R2.5365 Cc1ccc(c(c1)COc2cccnc2)Cl 7a_100000210849_100009871730 [0,2,0,0,0,0|2,0,0]=4 18902 B17R2.5365 Cc1ccc(c(c1)COc2cccnc2)F 34a_100000210849_100011260760 [0,2,0,0,0,0|2,0,0]=4 18903 B17R2.5365 Cc1ccc(c(c1)COc2cccnc2)F 7a_100000210849_100011260760 [0,2,0,0,0,0|2,0,0]=4 18904 B17R2.5365 Cc1ccc(c(c1)CSc2ccccc2)C 62a_100000184699_100000041952 [0,2,0,0,0,0|2,0,0]=4 18905 B17R2.5365 Cc1ccc(c(c1)CSc2ccccc2)C 62a_100000719477_100000184699 [0,2,0,0,0,0|2,0,0]=4 18906 B17R2.5365 Cc1ccc(c(c1)CSc2ccccc2)Cl 62a_100000719477_100009871730 [0,2,0,0,0,0|2,0,0]=4 18907 B17R2.5365 Cc1ccc(c(c1)CSc2ccccc2)Cl 62a_100009871730_100000041952 [0,2,0,0,0,0|2,0,0]=4 18908 B17R2.5365 Cc1ccc(c(c1)CSc2ccccc2)F 62a_100000719477_100011260760 [0,2,0,0,0,0|2,0,0]=4 18909 B17R2.5365 Cc1ccc(c(c1)CSc2ccccc2)F 62a_100011260760_100000041952 [0,2,0,0,0,0|2,0,0]=4 18910 B17R2.5365 Cc1ccc(c(c1)CSc2cccnc2)C 62a_100000184699_100000210063 [0,2,0,0,0,0|2,0,0]=4 18911 B17R2.5365 Cc1ccc(c(c1)CSc2cccnc2)C 62a_100000210063_100000184699 [0,2,0,0,0,0|2,0,0]=4 18912 B17R2.5365 Cc1ccc(c(c1)CSc2cccnc2)Cl 62a_100000210063_100009871730 [0,2,0,0,0,0|2,0,0]=4 18913 B17R2.5365 Cc1ccc(c(c1)CSc2cccnc2)Cl 62a_100009871730_100000210063 [0,2,0,0,0,0|2,0,0]=4 18914 B17R2.5365 Cc1ccc(c(c1)CSc2cccnc2)F 62a_100000210063_100011260760 [0,2,0,0,0,0|2,0,0]=4 18915 B17R2.5365 Cc1ccc(c(c1)CSc2cccnc2)F 62a_100011260760_100000210063 [0,2,0,0,0,0|2,0,0]=4 18916 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)Br 270302a_100000745044_100015611070 [0,2,0,0,0,0|1,0,0]=3 18917 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)Br 34a_100000745044_100015291786 [0,2,0,0,0,0|1,0,0]=3 18918 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)C 207a_100000185781_100015611070 [0,2,0,0,0,0|1,0,0]=3 18919 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)C 2230a_100000185781_100015291786 [0,2,0,0,0,0|1,0,0]=3 18920 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)C 270302a_100000185781_100015611070 [0,2,0,0,0,0|1,0,0]=3 18921 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)C 34a_100000185781_100015291786 [0,2,0,0,0,0|1,0,0]=3 18922 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)C 7a_100000185781_100000211182 [0,2,0,0,0,0|1,0,0]=3 18923 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)Cl 207a_100011215360_100015611070 [0,2,0,0,0,0|1,0,0]=3 18924 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)Cl 270302a_100011215360_100015611070 [0,2,0,0,0,0|1,0,0]=3 18925 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)Cl 34a_100011215360_100015291786 [0,2,0,0,0,0|1,0,0]=3 18926 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)F 207a_100000211285_100015611070 [0,2,0,0,0,0|1,0,0]=3 18927 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)F 270302a_100000211285_100015611070 [0,2,0,0,0,0|1,0,0]=3 18928 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)F 34a_100000211285_100015291786 [0,2,0,0,0,0|1,0,0]=3 18929 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)I 270302a_100011216686_100015611070 [0,2,0,0,0,0|1,0,0]=3 18930 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)I 34a_100011216686_100015291786 [0,2,0,0,0,0|1,0,0]=3 18931 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)O 34a_100011215204_100015291786 [0,2,0,0,0,0|1,0,0]=3 18932 B17R2.5365 Cc1ccc(c(c1)NCc2ccccn2)Br 270302a_100000745044_100000209966 [0,2,0,0,0,0|2,0,0]=4 18933 B17R2.5365 Cc1ccc(c(c1)NCc2ccccn2)Br 34a_100000745044_100000721315 [0,2,0,0,0,0|2,0,0]=4 18934 B17R2.5365 Cc1ccc(c(c1)NCc2ccccn2)C 207a_100000185781_100000209966 [0,2,0,0,0,0|2,0,0]=4 18935 B17R2.5365 Cc1ccc(c(c1)NCc2ccccn2)C 2230a_100000185781_100000721315 [0,2,0,0,0,0|2,0,0]=4 18936 B17R2.5365 Cc1ccc(c(c1)NCc2ccccn2)C 270302a_100000185781_100000209966 [0,2,0,0,0,0|2,0,0]=4 18937 B17R2.5365 Cc1ccc(c(c1)NCc2ccccn2)C 34a_100000185781_100000721315 [0,2,0,0,0,0|2,0,0]=4 18938 B17R2.5365 Cc1ccc(c(c1)NCc2ccccn2)C 7a_100000185781_100000721315 [0,2,0,0,0,0|2,0,0]=4 18939 B17R2.5365 Cc1ccc(c(c1)NCc2ccccn2)Cl 207a_100011215360_100000209966 [0,2,0,0,0,0|2,0,0]=4 18940 B17R2.5365 Cc1ccc(c(c1)NCc2ccccn2)Cl 270302a_100011215360_100000209966 [0,2,0,0,0,0|2,0,0]=4 18941 B17R2.5365 Cc1ccc(c(c1)NCc2ccccn2)Cl 34a_100011215360_100000721315 [0,2,0,0,0,0|2,0,0]=4 18942 B17R2.5365 Cc1ccc(c(c1)NCc2ccccn2)F 207a_100000211285_100000209966 [0,2,0,0,0,0|2,0,0]=4 18943 B17R2.5365 Cc1ccc(c(c1)NCc2ccccn2)F 270302a_100000211285_100000209966 [0,2,0,0,0,0|2,0,0]=4 18944 B17R2.5365 Cc1ccc(c(c1)NCc2ccccn2)F 34a_100000211285_100000721315 [0,2,0,0,0,0|2,0,0]=4 18945 B17R2.5365 Cc1ccc(c(c1)NCc2ccccn2)I 270302a_100011216686_100000209966 [0,2,0,0,0,0|2,0,0]=4 18946 B17R2.5365 Cc1ccc(c(c1)NCc2ccccn2)I 34a_100011216686_100000721315 [0,2,0,0,0,0|2,0,0]=4 18947 B17R2.5365 Cc1ccc(c(c1)NCc2ccccn2)O 34a_100011215204_100000721315 [0,2,0,0,0,0|2,0,0]=4 18948 B17R2.5365 Cc1ccc(c(c1)NCc2cccnc2)Br 270302a_100000745044_100000209961 [0,2,0,0,0,0|0,0,0]=2 18949 B17R2.5365 Cc1ccc(c(c1)NCc2cccnc2)Br 34a_100000745044_100000733263 [0,2,0,0,0,0|0,0,0]=2 18950 B17R2.5365 Cc1ccc(c(c1)NCc2cccnc2)C 207a_100000185781_100000209961 [0,2,0,0,0,0|0,0,0]=2 18951 B17R2.5365 Cc1ccc(c(c1)NCc2cccnc2)C 2230a_100000185781_100000741622 [0,2,0,0,0,0|0,0,0]=2 18952 B17R2.5365 Cc1ccc(c(c1)NCc2cccnc2)C 270302a_100000185781_100000209961 [0,2,0,0,0,0|0,0,0]=2 18953 B17R2.5365 Cc1ccc(c(c1)NCc2cccnc2)C 34a_100000185781_100000733263 [0,2,0,0,0,0|0,0,0]=2 18954 B17R2.5365 Cc1ccc(c(c1)NCc2cccnc2)C 7a_100000185781_100000741622 [0,2,0,0,0,0|0,0,0]=2 18955 B17R2.5365 Cc1ccc(c(c1)NCc2cccnc2)Cl 207a_100011215360_100000209961 [0,2,0,0,0,0|0,0,0]=2 18956 B17R2.5365 Cc1ccc(c(c1)NCc2cccnc2)Cl 270302a_100011215360_100000209961 [0,2,0,0,0,0|0,0,0]=2 18957 B17R2.5365 Cc1ccc(c(c1)NCc2cccnc2)Cl 34a_100011215360_100000733263 [0,2,0,0,0,0|0,0,0]=2 18958 B17R2.5365 Cc1ccc(c(c1)NCc2cccnc2)F 207a_100000211285_100000209961 [0,2,0,0,0,0|0,0,0]=2 18959 B17R2.5365 Cc1ccc(c(c1)NCc2cccnc2)F 270302a_100000211285_100000209961 [0,2,0,0,0,0|0,0,0]=2 18960 B17R2.5365 Cc1ccc(c(c1)NCc2cccnc2)F 34a_100000211285_100000733263 [0,2,0,0,0,0|0,0,0]=2 18961 B17R2.5365 Cc1ccc(c(c1)NCc2cccnc2)I 270302a_100011216686_100000209961 [0,2,0,0,0,0|0,0,0]=2 18962 B17R2.5365 Cc1ccc(c(c1)NCc2cccnc2)I 34a_100011216686_100000733263 [0,2,0,0,0,0|0,0,0]=2 18963 B17R2.5365 Cc1ccc(c(c1)NCc2cccnc2)O 34a_100011215204_100000733263 [0,2,0,0,0,0|0,0,0]=2 18964 B17R2.5365 Cc1ccc(c(c1)NCc2cccnn2)Br 34a_100000745044_100016990269 [0,2,0,0,0,0|1,0,0]=3 18965 B17R2.5365 Cc1ccc(c(c1)NCc2cccnn2)C 2230a_100000185781_100016990269 [0,2,0,0,0,0|1,0,0]=3 18966 B17R2.5365 Cc1ccc(c(c1)NCc2cccnn2)C 34a_100000185781_100016990269 [0,2,0,0,0,0|1,0,0]=3 18967 B17R2.5365 Cc1ccc(c(c1)NCc2cccnn2)C 7a_100000185781_100016990269 [0,2,0,0,0,0|1,0,0]=3 18968 B17R2.5365 Cc1ccc(c(c1)NCc2cccnn2)Cl 34a_100011215360_100016990269 [0,2,0,0,0,0|1,0,0]=3 18969 B17R2.5365 Cc1ccc(c(c1)NCc2cccnn2)F 34a_100000211285_100016990269 [0,2,0,0,0,0|1,0,0]=3 18970 B17R2.5365 Cc1ccc(c(c1)NCc2cccnn2)I 34a_100011216686_100016990269 [0,2,0,0,0,0|1,0,0]=3 18971 B17R2.5365 Cc1ccc(c(c1)NCc2cccnn2)O 34a_100011215204_100016990269 [0,2,0,0,0,0|1,0,0]=3 18972 B17R2.5365 Cc1ccc(c(c1)NCc2ccncc2)C 207a_100000185781_100000186114 [0,2,0,0,0,0|2,0,0]=4 18973 B17R2.5365 Cc1ccc(c(c1)NCc2ccncc2)C 2230a_100000185781_100015193705 [0,2,0,0,0,0|2,0,0]=4 18974 B17R2.5365 Cc1ccc(c(c1)NCc2ccncc2)C 7a_100000185781_100015193705 [0,2,0,0,0,0|2,0,0]=4 18975 B17R2.5365 Cc1ccc(c(c1)NCc2ccncc2)Cl 207a_100011215360_100000186114 [0,2,0,0,0,0|2,0,0]=4 18976 B17R2.5365 Cc1ccc(c(c1)NCc2ccncc2)F 207a_100000211285_100000186114 [0,2,0,0,0,0|2,0,0]=4 18977 B17R2.5365 Cc1ccc(c(c1)NCc2ccnnc2)Br 270302a_100000745044_100011934578 [0,2,0,0,0,0|1,0,0]=3 18978 B17R2.5365 Cc1ccc(c(c1)NCc2ccnnc2)C 270302a_100000185781_100011934578 [0,2,0,0,0,0|1,0,0]=3 18979 B17R2.5365 Cc1ccc(c(c1)NCc2ccnnc2)Cl 270302a_100011215360_100011934578 [0,2,0,0,0,0|1,0,0]=3 18980 B17R2.5365 Cc1ccc(c(c1)NCc2ccnnc2)F 270302a_100000211285_100011934578 [0,2,0,0,0,0|1,0,0]=3 18981 B17R2.5365 Cc1ccc(c(c1)NCc2ccnnc2)I 270302a_100011216686_100011934578 [0,2,0,0,0,0|1,0,0]=3 18982 B17R2.5365 Cc1ccc(c(c1)NCc2cnccn2)Br 34a_100000745044_100016995436 [0,2,0,0,0,0|1,0,0]=3 18983 B17R2.5365 Cc1ccc(c(c1)NCc2cnccn2)C 2230a_100000185781_100016995436 [0,2,0,0,0,0|1,0,0]=3 18984 B17R2.5365 Cc1ccc(c(c1)NCc2cnccn2)C 34a_100000185781_100016995436 [0,2,0,0,0,0|1,0,0]=3 18985 B17R2.5365 Cc1ccc(c(c1)NCc2cnccn2)C 7a_100000185781_100016995436 [0,2,0,0,0,0|1,0,0]=3 18986 B17R2.5365 Cc1ccc(c(c1)NCc2cnccn2)Cl 34a_100011215360_100016995436 [0,2,0,0,0,0|1,0,0]=3 18987 B17R2.5365 Cc1ccc(c(c1)NCc2cnccn2)F 34a_100000211285_100016995436 [0,2,0,0,0,0|1,0,0]=3 18988 B17R2.5365 Cc1ccc(c(c1)NCc2cnccn2)I 34a_100011216686_100016995436 [0,2,0,0,0,0|1,0,0]=3 18989 B17R2.5365 Cc1ccc(c(c1)NCc2cnccn2)O 34a_100011215204_100016995436 [0,2,0,0,0,0|1,0,0]=3 18990 B17R2.5365 Cc1ccc(c(c1)NCc2cncnc2)Br 270302a_100000745044_100000749868 [0,2,0,0,0,0|1,0,0]=3 18991 B17R2.5365 Cc1ccc(c(c1)NCc2cncnc2)Br 34a_100000745044_100015196519 [0,2,0,0,0,0|1,0,0]=3 18992 B17R2.5365 Cc1ccc(c(c1)NCc2cncnc2)C 2230a_100000185781_100015196519 [0,2,0,0,0,0|1,0,0]=3 18993 B17R2.5365 Cc1ccc(c(c1)NCc2cncnc2)C 270302a_100000185781_100000749868 [0,2,0,0,0,0|1,0,0]=3 18994 B17R2.5365 Cc1ccc(c(c1)NCc2cncnc2)C 34a_100000185781_100015196519 [0,2,0,0,0,0|1,0,0]=3 18995 B17R2.5365 Cc1ccc(c(c1)NCc2cncnc2)C 7a_100000185781_100015196519 [0,2,0,0,0,0|1,0,0]=3 18996 B17R2.5365 Cc1ccc(c(c1)NCc2cncnc2)Cl 270302a_100011215360_100000749868 [0,2,0,0,0,0|1,0,0]=3 18997 B17R2.5365 Cc1ccc(c(c1)NCc2cncnc2)Cl 34a_100011215360_100015196519 [0,2,0,0,0,0|1,0,0]=3 18998 B17R2.5365 Cc1ccc(c(c1)NCc2cncnc2)F 270302a_100000211285_100000749868 [0,2,0,0,0,0|1,0,0]=3 18999 B17R2.5365 Cc1ccc(c(c1)NCc2cncnc2)F 34a_100000211285_100015196519 [0,2,0,0,0,0|1,0,0]=3 19000 B17R2.5365 Cc1ccc(c(c1)NCc2cncnc2)I 270302a_100011216686_100000749868 [0,2,0,0,0,0|1,0,0]=3 19001 B17R2.5365 Cc1ccc(c(c1)NCc2cncnc2)I 34a_100011216686_100015196519 [0,2,0,0,0,0|1,0,0]=3 19002 B17R2.5365 Cc1ccc(c(c1)NCc2cncnc2)O 34a_100011215204_100015196519 [0,2,0,0,0,0|1,0,0]=3 19003 B17R2.5365 Cc1ccc(c(c1)OCc2ccccc2)Br 34a_100012002257_100015291786 [0,2,0,0,0,0|2,0,0]=4 19004 B17R2.5365 Cc1ccc(c(c1)OCc2ccccc2)Br 7a_100012002257_100000211182 [0,2,0,0,0,0|2,0,0]=4 19005 B17R2.5365 Cc1ccc(c(c1)OCc2ccccc2)C 34a_100000210931_100015291786 [0,2,0,0,0,0|2,0,0]=4 19006 B17R2.5365 Cc1ccc(c(c1)OCc2ccccc2)C 7a_100000210931_100000211182 [0,2,0,0,0,0|2,0,0]=4 19007 B17R2.5365 Cc1ccc(c(c1)OCc2ccccc2)Cl 34a_100000211493_100015291786 [0,2,0,0,0,0|2,0,0]=4 19008 B17R2.5365 Cc1ccc(c(c1)OCc2ccccc2)Cl 7a_100000211493_100000211182 [0,2,0,0,0,0|2,0,0]=4 19009 B17R2.5365 Cc1ccc(c(c1)OCc2ccccc2)F 34a_100000759540_100015291786 [0,2,0,0,0,0|2,0,0]=4 19010 B17R2.5365 Cc1ccc(c(c1)OCc2ccccc2)F 7a_100000759540_100000211182 [0,2,0,0,0,0|2,0,0]=4 19011 B17R2.5365 Cc1ccc(c(c1)OCc2ccccc2)N 34a_100000211527_100015291786 [0,2,0,0,0,0|2,0,0]=4 19012 B17R2.5365 Cc1ccc(c(c1)OCc2ccccc2)N 7a_100000211527_100000211182 [0,2,0,0,0,0|2,0,0]=4 19013 B17R2.5365 Cc1ccc(c(c1)OCc2cccnc2)Br 34a_100012002257_100000733263 [0,2,0,0,0,0|1,0,0]=3 19014 B17R2.5365 Cc1ccc(c(c1)OCc2cccnc2)Br 7a_100012002257_100000741622 [0,2,0,0,0,0|1,0,0]=3 19015 B17R2.5365 Cc1ccc(c(c1)OCc2cccnc2)C 34a_100000210931_100000733263 [0,2,0,0,0,0|1,0,0]=3 19016 B17R2.5365 Cc1ccc(c(c1)OCc2cccnc2)C 7a_100000210931_100000741622 [0,2,0,0,0,0|1,0,0]=3 19017 B17R2.5365 Cc1ccc(c(c1)OCc2cccnc2)Cl 34a_100000211493_100000733263 [0,2,0,0,0,0|1,0,0]=3 19018 B17R2.5365 Cc1ccc(c(c1)OCc2cccnc2)Cl 7a_100000211493_100000741622 [0,2,0,0,0,0|1,0,0]=3 19019 B17R2.5365 Cc1ccc(c(c1)OCc2cccnc2)F 34a_100000759540_100000733263 [0,2,0,0,0,0|1,0,0]=3 19020 B17R2.5365 Cc1ccc(c(c1)OCc2cccnc2)F 7a_100000759540_100000741622 [0,2,0,0,0,0|1,0,0]=3 19021 B17R2.5365 Cc1ccc(c(c1)OCc2cccnc2)N 34a_100000211527_100000733263 [0,2,0,0,0,0|1,0,0]=3 19022 B17R2.5365 Cc1ccc(c(c1)OCc2cccnc2)N 7a_100000211527_100000741622 [0,2,0,0,0,0|1,0,0]=3 19023 B17R2.5365 Cc1ccc(c(c1)OCc2cccnn2)Br 34a_100012002257_100016990269 [0,2,0,0,0,0|2,0,0]=4 19024 B17R2.5365 Cc1ccc(c(c1)OCc2cccnn2)Br 7a_100012002257_100016990269 [0,2,0,0,0,0|2,0,0]=4 19025 B17R2.5365 Cc1ccc(c(c1)OCc2cccnn2)C 34a_100000210931_100016990269 [0,2,0,0,0,0|2,0,0]=4 19026 B17R2.5365 Cc1ccc(c(c1)OCc2cccnn2)C 7a_100000210931_100016990269 [0,2,0,0,0,0|2,0,0]=4 19027 B17R2.5365 Cc1ccc(c(c1)OCc2cccnn2)Cl 34a_100000211493_100016990269 [0,2,0,0,0,0|2,0,0]=4 19028 B17R2.5365 Cc1ccc(c(c1)OCc2cccnn2)Cl 7a_100000211493_100016990269 [0,2,0,0,0,0|2,0,0]=4 19029 B17R2.5365 Cc1ccc(c(c1)OCc2cccnn2)F 34a_100000759540_100016990269 [0,2,0,0,0,0|2,0,0]=4 19030 B17R2.5365 Cc1ccc(c(c1)OCc2cccnn2)F 7a_100000759540_100016990269 [0,2,0,0,0,0|2,0,0]=4 19031 B17R2.5365 Cc1ccc(c(c1)OCc2cccnn2)N 34a_100000211527_100016990269 [0,2,0,0,0,0|2,0,0]=4 19032 B17R2.5365 Cc1ccc(c(c1)OCc2cccnn2)N 7a_100000211527_100016990269 [0,2,0,0,0,0|2,0,0]=4 19033 B17R2.5365 Cc1ccc(c(c1)OCc2cnccn2)Br 34a_100012002257_100016995436 [0,2,0,0,0,0|2,0,0]=4 19034 B17R2.5365 Cc1ccc(c(c1)OCc2cnccn2)Br 7a_100012002257_100016995436 [0,2,0,0,0,0|2,0,0]=4 19035 B17R2.5365 Cc1ccc(c(c1)OCc2cnccn2)C 34a_100000210931_100016995436 [0,2,0,0,0,0|2,0,0]=4 19036 B17R2.5365 Cc1ccc(c(c1)OCc2cnccn2)C 7a_100000210931_100016995436 [0,2,0,0,0,0|2,0,0]=4 19037 B17R2.5365 Cc1ccc(c(c1)OCc2cnccn2)Cl 34a_100000211493_100016995436 [0,2,0,0,0,0|2,0,0]=4 19038 B17R2.5365 Cc1ccc(c(c1)OCc2cnccn2)Cl 7a_100000211493_100016995436 [0,2,0,0,0,0|2,0,0]=4 19039 B17R2.5365 Cc1ccc(c(c1)OCc2cnccn2)F 34a_100000759540_100016995436 [0,2,0,0,0,0|2,0,0]=4 19040 B17R2.5365 Cc1ccc(c(c1)OCc2cnccn2)F 7a_100000759540_100016995436 [0,2,0,0,0,0|2,0,0]=4 19041 B17R2.5365 Cc1ccc(c(c1)OCc2cnccn2)N 34a_100000211527_100016995436 [0,2,0,0,0,0|2,0,0]=4 19042 B17R2.5365 Cc1ccc(c(c1)OCc2cnccn2)N 7a_100000211527_100016995436 [0,2,0,0,0,0|2,0,0]=4 19043 B17R2.5365 Cc1ccc(c(c1)OCc2cncnc2)Br 34a_100012002257_100015196519 [0,2,0,0,0,0|2,0,0]=4 19044 B17R2.5365 Cc1ccc(c(c1)OCc2cncnc2)Br 7a_100012002257_100015196519 [0,2,0,0,0,0|2,0,0]=4 19045 B17R2.5365 Cc1ccc(c(c1)OCc2cncnc2)C 34a_100000210931_100015196519 [0,2,0,0,0,0|2,0,0]=4 19046 B17R2.5365 Cc1ccc(c(c1)OCc2cncnc2)C 7a_100000210931_100015196519 [0,2,0,0,0,0|2,0,0]=4 19047 B17R2.5365 Cc1ccc(c(c1)OCc2cncnc2)Cl 34a_100000211493_100015196519 [0,2,0,0,0,0|2,0,0]=4 19048 B17R2.5365 Cc1ccc(c(c1)OCc2cncnc2)Cl 7a_100000211493_100015196519 [0,2,0,0,0,0|2,0,0]=4 19049 B17R2.5365 Cc1ccc(c(c1)OCc2cncnc2)F 34a_100000759540_100015196519 [0,2,0,0,0,0|2,0,0]=4 19050 B17R2.5365 Cc1ccc(c(c1)OCc2cncnc2)F 7a_100000759540_100015196519 [0,2,0,0,0,0|2,0,0]=4 19051 B17R2.5365 Cc1ccc(c(c1)OCc2cncnc2)N 34a_100000211527_100015196519 [0,2,0,0,0,0|2,0,0]=4 19052 B17R2.5365 Cc1ccc(c(c1)OCc2cncnc2)N 7a_100000211527_100015196519 [0,2,0,0,0,0|2,0,0]=4 19053 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)Br 62a_100000211182_100012353751 [0,2,0,0,0,0|2,0,0]=4 19054 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)Br 62a_100012353751_100015291786 [0,2,0,0,0,0|2,0,0]=4 19055 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)C 62a_100000210833_100015291786 [0,2,0,0,0,0|2,0,0]=4 19056 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)C 62a_100000211182_100000210833 [0,2,0,0,0,0|2,0,0]=4 19057 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)Cl 62a_100000211182_100012356289 [0,2,0,0,0,0|2,0,0]=4 19058 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)Cl 62a_100012356289_100015291786 [0,2,0,0,0,0|2,0,0]=4 19059 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)F 62a_100000211182_100000736223 [0,2,0,0,0,0|2,0,0]=4 19060 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)F 62a_100000736223_100015291786 [0,2,0,0,0,0|2,0,0]=4 19061 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)N 62a_100000211182_100011356834 [0,2,0,0,0,0|2,0,0]=4 19062 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)N 62a_100011356834_100015291786 [0,2,0,0,0,0|2,0,0]=4 19063 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)O 62a_100000211182_100000765521 [0,2,0,0,0,0|2,0,0]=4 19064 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)O 62a_100000765521_100015291786 [0,2,0,0,0,0|2,0,0]=4 19065 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)Br 62a_100000741622_100012353751 [0,2,0,0,0,0|1,0,0]=3 19066 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)Br 62a_100012353751_100000741622 [0,2,0,0,0,0|1,0,0]=3 19067 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)C 62a_100000210833_100000741622 [0,2,0,0,0,0|1,0,0]=3 19068 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)C 62a_100000741622_100000210833 [0,2,0,0,0,0|1,0,0]=3 19069 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)Cl 62a_100000741622_100012356289 [0,2,0,0,0,0|1,0,0]=3 19070 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)Cl 62a_100012356289_100000741622 [0,2,0,0,0,0|1,0,0]=3 19071 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)F 62a_100000736223_100000741622 [0,2,0,0,0,0|1,0,0]=3 19072 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)F 62a_100000741622_100000736223 [0,2,0,0,0,0|1,0,0]=3 19073 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)N 62a_100000741622_100011356834 [0,2,0,0,0,0|1,0,0]=3 19074 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)N 62a_100011356834_100000741622 [0,2,0,0,0,0|1,0,0]=3 19075 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)O 62a_100000741622_100000765521 [0,2,0,0,0,0|1,0,0]=3 19076 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)O 62a_100000765521_100000741622 [0,2,0,0,0,0|1,0,0]=3 19077 B17R2.5365 Cc1ccc(c(c1)SCc2cccnn2)Br 62a_100012353751_100016990269 [0,2,0,0,0,0|2,0,0]=4 19078 B17R2.5365 Cc1ccc(c(c1)SCc2cccnn2)Br 62a_100016990269_100012353751 [0,2,0,0,0,0|2,0,0]=4 19079 B17R2.5365 Cc1ccc(c(c1)SCc2cccnn2)C 62a_100000210833_100016990269 [0,2,0,0,0,0|2,0,0]=4 19080 B17R2.5365 Cc1ccc(c(c1)SCc2cccnn2)C 62a_100016990269_100000210833 [0,2,0,0,0,0|2,0,0]=4 19081 B17R2.5365 Cc1ccc(c(c1)SCc2cccnn2)Cl 62a_100012356289_100016990269 [0,2,0,0,0,0|2,0,0]=4 19082 B17R2.5365 Cc1ccc(c(c1)SCc2cccnn2)Cl 62a_100016990269_100012356289 [0,2,0,0,0,0|2,0,0]=4 19083 B17R2.5365 Cc1ccc(c(c1)SCc2cccnn2)F 62a_100000736223_100016990269 [0,2,0,0,0,0|2,0,0]=4 19084 B17R2.5365 Cc1ccc(c(c1)SCc2cccnn2)F 62a_100016990269_100000736223 [0,2,0,0,0,0|2,0,0]=4 19085 B17R2.5365 Cc1ccc(c(c1)SCc2cccnn2)N 62a_100011356834_100016990269 [0,2,0,0,0,0|2,0,0]=4 19086 B17R2.5365 Cc1ccc(c(c1)SCc2cccnn2)N 62a_100016990269_100011356834 [0,2,0,0,0,0|2,0,0]=4 19087 B17R2.5365 Cc1ccc(c(c1)SCc2cccnn2)O 62a_100000765521_100016990269 [0,2,0,0,0,0|2,0,0]=4 19088 B17R2.5365 Cc1ccc(c(c1)SCc2cccnn2)O 62a_100016990269_100000765521 [0,2,0,0,0,0|2,0,0]=4 19089 B17R2.5365 Cc1ccc(c(c1)SCc2cnccn2)Br 62a_100012353751_100016995436 [0,2,0,0,0,0|2,0,0]=4 19090 B17R2.5365 Cc1ccc(c(c1)SCc2cnccn2)Br 62a_100016995436_100012353751 [0,2,0,0,0,0|2,0,0]=4 19091 B17R2.5365 Cc1ccc(c(c1)SCc2cnccn2)C 62a_100000210833_100016995436 [0,2,0,0,0,0|2,0,0]=4 19092 B17R2.5365 Cc1ccc(c(c1)SCc2cnccn2)C 62a_100016995436_100000210833 [0,2,0,0,0,0|2,0,0]=4 19093 B17R2.5365 Cc1ccc(c(c1)SCc2cnccn2)Cl 62a_100012356289_100016995436 [0,2,0,0,0,0|2,0,0]=4 19094 B17R2.5365 Cc1ccc(c(c1)SCc2cnccn2)Cl 62a_100016995436_100012356289 [0,2,0,0,0,0|2,0,0]=4 19095 B17R2.5365 Cc1ccc(c(c1)SCc2cnccn2)F 62a_100000736223_100016995436 [0,2,0,0,0,0|2,0,0]=4 19096 B17R2.5365 Cc1ccc(c(c1)SCc2cnccn2)F 62a_100016995436_100000736223 [0,2,0,0,0,0|2,0,0]=4 19097 B17R2.5365 Cc1ccc(c(c1)SCc2cnccn2)N 62a_100011356834_100016995436 [0,2,0,0,0,0|2,0,0]=4 19098 B17R2.5365 Cc1ccc(c(c1)SCc2cnccn2)N 62a_100016995436_100011356834 [0,2,0,0,0,0|2,0,0]=4 19099 B17R2.5365 Cc1ccc(c(c1)SCc2cnccn2)O 62a_100000765521_100016995436 [0,2,0,0,0,0|2,0,0]=4 19100 B17R2.5365 Cc1ccc(c(c1)SCc2cnccn2)O 62a_100016995436_100000765521 [0,2,0,0,0,0|2,0,0]=4 19101 B17R2.5365 Cc1ccc(c(c1)SCc2cncnc2)Br 62a_100012353751_100015196519 [0,2,0,0,0,0|2,0,0]=4 19102 B17R2.5365 Cc1ccc(c(c1)SCc2cncnc2)Br 62a_100015196519_100012353751 [0,2,0,0,0,0|2,0,0]=4 19103 B17R2.5365 Cc1ccc(c(c1)SCc2cncnc2)C 62a_100000210833_100015196519 [0,2,0,0,0,0|2,0,0]=4 19104 B17R2.5365 Cc1ccc(c(c1)SCc2cncnc2)C 62a_100015196519_100000210833 [0,2,0,0,0,0|2,0,0]=4 19105 B17R2.5365 Cc1ccc(c(c1)SCc2cncnc2)Cl 62a_100012356289_100015196519 [0,2,0,0,0,0|2,0,0]=4 19106 B17R2.5365 Cc1ccc(c(c1)SCc2cncnc2)Cl 62a_100015196519_100012356289 [0,2,0,0,0,0|2,0,0]=4 19107 B17R2.5365 Cc1ccc(c(c1)SCc2cncnc2)F 62a_100000736223_100015196519 [0,2,0,0,0,0|2,0,0]=4 19108 B17R2.5365 Cc1ccc(c(c1)SCc2cncnc2)F 62a_100015196519_100000736223 [0,2,0,0,0,0|2,0,0]=4 19109 B17R2.5365 Cc1ccc(c(c1)SCc2cncnc2)N 62a_100011356834_100015196519 [0,2,0,0,0,0|2,0,0]=4 19110 B17R2.5365 Cc1ccc(c(c1)SCc2cncnc2)N 62a_100015196519_100011356834 [0,2,0,0,0,0|2,0,0]=4 19111 B17R2.5365 Cc1ccc(c(c1)SCc2cncnc2)O 62a_100000765521_100015196519 [0,2,0,0,0,0|2,0,0]=4 19112 B17R2.5365 Cc1ccc(c(c1)SCc2cncnc2)O 62a_100015196519_100000765521 [0,2,0,0,0,0|2,0,0]=4 19113 B17R2.5365 Cc1ccc(c(n1)CNc2ccccc2)Br 207a_100000106764_100010173661 [0,2,0,0,0,0|2,0,0]=4 19114 B17R2.5365 Cc1ccc(c(n1)CNc2ccccc2)Cl 34a_100000106764_200009852033 [0,2,0,0,0,0|2,0,0]=4 19115 B17R2.5365 Cc1ccc(c(n1)CNc2ccccc2)O 34a_100000106764_100020630696 [0,2,0,0,0,0|2,0,0]=4 19116 B17R2.5365 Cc1ccc(c(n1)OCc2cccnc2)Br 34a_100009817604_100000733263 [0,2,0,0,0,0|2,0,0]=4 19117 B17R2.5365 Cc1ccc(c(n1)OCc2cccnc2)N 34a_100000687486_100000733263 [0,2,0,0,0,0|2,0,0]=4 19118 B17R2.5365 Cc1ccc(c(n1)SCc2cccnc2)C 62a_100000741622_100009854376 [0,2,0,0,0,0|2,0,0]=4 19119 B17R2.5365 Cc1ccc(c(n1)SCc2cccnc2)C 62a_100009854376_100000741622 [0,2,0,0,0,0|2,0,0]=4 19120 B17R2.5365 Cc1ccc(c(n1)SCc2cccnc2)F 62a_100000741622_100009817602 [0,2,0,0,0,0|2,0,0]=4 19121 B17R2.5365 Cc1ccc(c(n1)SCc2cccnc2)F 62a_100009817602_100000741622 [0,2,0,0,0,0|2,0,0]=4 19122 B17R2.5365 Cc1ccc(c(n1)SCc2cccnc2)N 62a_100000685570_100000741622 [0,2,0,0,0,0|2,0,0]=4 19123 B17R2.5365 Cc1ccc(c(n1)SCc2cccnc2)N 62a_100000741622_100000685570 [0,2,0,0,0,0|2,0,0]=4 19124 B17R2.5365 Cc1ccc(c(n1)SCc2cccnc2)O 62a_100000702858_100000741622 [0,2,0,0,0,0|2,0,0]=4 19125 B17R2.5365 Cc1ccc(c(n1)SCc2cccnc2)O 62a_100000741622_100000702858 [0,2,0,0,0,0|2,0,0]=4 19126 B17R2.5365 Cc1ccc(cc1C=Cc2cccnc2)Br 271570a_100102525586_100011344865 [0,2,0,0,0,0|1,0,1]=4 19127 B17R2.5365 Cc1ccc(cc1C=Cc2cccnc2)Cl 271570a_100102525586_100011263213 [0,2,0,0,0,0|1,0,1]=4 19128 B17R2.5365 Cc1ccc(cc1C=Cc2cccnc2)F 271570a_100102525586_100011218078 [0,2,0,0,0,0|1,0,1]=4 19129 B17R2.5365 Cc1ccc(cc1C=Cc2cccnc2)N 271570a_100102525586_100000736455 [0,2,0,0,0,0|1,0,1]=4 19130 B17R2.5365 Cc1ccc(cc1C=Cc2cccnc2)O 271570a_100102525586_100011380479 [0,2,0,0,0,0|1,0,1]=4 19131 B17R2.5365 Cc1ccc(cc1CNc2ccccc2)Br 207a_100000106764_100011361606 [0,2,0,0,0,0|1,0,0]=3 19132 B17R2.5365 Cc1ccc(cc1CNc2ccccc2)Br 270302a_100000106764_100011361606 [0,2,0,0,0,0|1,0,0]=3 19133 B17R2.5365 Cc1ccc(cc1CNc2ccccc2)Cl 207a_100000106764_100011551331 [0,2,0,0,0,0|1,0,0]=3 19134 B17R2.5365 Cc1ccc(cc1CNc2ccccc2)Cl 270302a_100000106764_100011551331 [0,2,0,0,0,0|1,0,0]=3 19135 B17R2.5365 Cc1ccc(cc1CNc2ccccc2)Cl 34a_100000106764_100012186985 [0,2,0,0,0,0|1,0,0]=3 19136 B17R2.5365 Cc1ccc(cc1CNc2ccccc2)F 207a_100000106764_100000697687 [0,2,0,0,0,0|1,0,0]=3 19137 B17R2.5365 Cc1ccc(cc1CNc2ccccc2)F 270302a_100000106764_100000697687 [0,2,0,0,0,0|1,0,0]=3 19138 B17R2.5365 Cc1ccc(cc1CNc2ccccc2)F 34a_100000106764_100000709795 [0,2,0,0,0,0|1,0,0]=3 19139 B17R2.5365 Cc1ccc(cc1COc2ccccc2)Cl 34a_100000210340_100012186985 [0,2,0,0,0,0|2,0,0]=4 19140 B17R2.5365 Cc1ccc(cc1COc2ccccc2)Cl 7a_100000210340_100012186985 [0,2,0,0,0,0|2,0,0]=4 19141 B17R2.5365 Cc1ccc(cc1COc2ccccc2)F 34a_100000210340_100000709795 [0,2,0,0,0,0|2,0,0]=4 19142 B17R2.5365 Cc1ccc(cc1COc2ccccc2)F 7a_100000210340_100000709795 [0,2,0,0,0,0|2,0,0]=4 19143 B17R2.5365 Cc1ccc(cc1COc2cccnc2)Cl 34a_100000210849_100012186985 [0,2,0,0,0,0|2,0,0]=4 19144 B17R2.5365 Cc1ccc(cc1COc2cccnc2)Cl 7a_100000210849_100012186985 [0,2,0,0,0,0|2,0,0]=4 19145 B17R2.5365 Cc1ccc(cc1COc2cccnc2)F 34a_100000210849_100000709795 [0,2,0,0,0,0|2,0,0]=4 19146 B17R2.5365 Cc1ccc(cc1COc2cccnc2)F 7a_100000210849_100000709795 [0,2,0,0,0,0|2,0,0]=4 19147 B17R2.5365 Cc1ccc(cc1CSc2ccccc2)Cl 62a_100000719477_100012186985 [0,2,0,0,0,0|2,0,0]=4 19148 B17R2.5365 Cc1ccc(cc1CSc2ccccc2)Cl 62a_100012186985_100000041952 [0,2,0,0,0,0|2,0,0]=4 19149 B17R2.5365 Cc1ccc(cc1CSc2ccccc2)F 62a_100000709795_100000041952 [0,2,0,0,0,0|2,0,0]=4 19150 B17R2.5365 Cc1ccc(cc1CSc2ccccc2)F 62a_100000719477_100000709795 [0,2,0,0,0,0|2,0,0]=4 19151 B17R2.5365 Cc1ccc(cc1CSc2cccnc2)Cl 62a_100000210063_100012186985 [0,2,0,0,0,0|2,0,0]=4 19152 B17R2.5365 Cc1ccc(cc1CSc2cccnc2)Cl 62a_100012186985_100000210063 [0,2,0,0,0,0|2,0,0]=4 19153 B17R2.5365 Cc1ccc(cc1CSc2cccnc2)F 62a_100000210063_100000709795 [0,2,0,0,0,0|2,0,0]=4 19154 B17R2.5365 Cc1ccc(cc1CSc2cccnc2)F 62a_100000709795_100000210063 [0,2,0,0,0,0|2,0,0]=4 19155 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)Br 207a_100000741167_100015611070 [0,2,0,0,0,0|1,0,0]=3 19156 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)Br 270302a_100000741167_100015611070 [0,2,0,0,0,0|1,0,0]=3 19157 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)Br 34a_100000741167_100015291786 [0,2,0,0,0,0|1,0,0]=3 19158 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)Br 7a_100000741167_100000211182 [0,2,0,0,0,0|1,0,0]=3 19159 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)Cl 207a_100000211374_100015611070 [0,2,0,0,0,0|1,0,0]=3 19160 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)Cl 270302a_100000211374_100015611070 [0,2,0,0,0,0|1,0,0]=3 19161 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)Cl 34a_100000211374_100015291786 [0,2,0,0,0,0|1,0,0]=3 19162 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)Cl 7a_100000211374_100000211182 [0,2,0,0,0,0|1,0,0]=3 19163 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)F 207a_100000211107_100015611070 [0,2,0,0,0,0|1,0,0]=3 19164 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)F 270302a_100000211107_100015611070 [0,2,0,0,0,0|1,0,0]=3 19165 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)F 34a_100000211107_100015291786 [0,2,0,0,0,0|1,0,0]=3 19166 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)F 7a_100000211107_100000211182 [0,2,0,0,0,0|1,0,0]=3 19167 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)I 207a_100000761890_100015611070 [0,2,0,0,0,0|1,0,0]=3 19168 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)I 270302a_100000761890_100015611070 [0,2,0,0,0,0|1,0,0]=3 19169 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)I 7a_100000761890_100000211182 [0,2,0,0,0,0|1,0,0]=3 19170 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)O 270302a_100011216113_100015611070 [0,2,0,0,0,0|1,0,0]=3 19171 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)O 34a_100011216113_100015291786 [0,2,0,0,0,0|1,0,0]=3 19172 B17R2.5365 Cc1ccc(cc1NCc2ccccn2)Br 207a_100000741167_100000209966 [0,2,0,0,0,0|2,0,0]=4 19173 B17R2.5365 Cc1ccc(cc1NCc2ccccn2)Br 270302a_100000741167_100000209966 [0,2,0,0,0,0|2,0,0]=4 19174 B17R2.5365 Cc1ccc(cc1NCc2ccccn2)Br 34a_100000741167_100000721315 [0,2,0,0,0,0|2,0,0]=4 19175 B17R2.5365 Cc1ccc(cc1NCc2ccccn2)Br 7a_100000741167_100000721315 [0,2,0,0,0,0|2,0,0]=4 19176 B17R2.5365 Cc1ccc(cc1NCc2ccccn2)Cl 207a_100000211374_100000209966 [0,2,0,0,0,0|2,0,0]=4 19177 B17R2.5365 Cc1ccc(cc1NCc2ccccn2)Cl 270302a_100000211374_100000209966 [0,2,0,0,0,0|2,0,0]=4 19178 B17R2.5365 Cc1ccc(cc1NCc2ccccn2)Cl 34a_100000211374_100000721315 [0,2,0,0,0,0|2,0,0]=4 19179 B17R2.5365 Cc1ccc(cc1NCc2ccccn2)Cl 7a_100000211374_100000721315 [0,2,0,0,0,0|2,0,0]=4 19180 B17R2.5365 Cc1ccc(cc1NCc2ccccn2)F 207a_100000211107_100000209966 [0,2,0,0,0,0|2,0,0]=4 19181 B17R2.5365 Cc1ccc(cc1NCc2ccccn2)F 270302a_100000211107_100000209966 [0,2,0,0,0,0|2,0,0]=4 19182 B17R2.5365 Cc1ccc(cc1NCc2ccccn2)F 34a_100000211107_100000721315 [0,2,0,0,0,0|2,0,0]=4 19183 B17R2.5365 Cc1ccc(cc1NCc2ccccn2)F 7a_100000211107_100000721315 [0,2,0,0,0,0|2,0,0]=4 19184 B17R2.5365 Cc1ccc(cc1NCc2ccccn2)I 207a_100000761890_100000209966 [0,2,0,0,0,0|2,0,0]=4 19185 B17R2.5365 Cc1ccc(cc1NCc2ccccn2)I 270302a_100000761890_100000209966 [0,2,0,0,0,0|2,0,0]=4 19186 B17R2.5365 Cc1ccc(cc1NCc2ccccn2)I 7a_100000761890_100000721315 [0,2,0,0,0,0|2,0,0]=4 19187 B17R2.5365 Cc1ccc(cc1NCc2ccccn2)O 270302a_100011216113_100000209966 [0,2,0,0,0,0|2,0,0]=4 19188 B17R2.5365 Cc1ccc(cc1NCc2ccccn2)O 34a_100011216113_100000721315 [0,2,0,0,0,0|2,0,0]=4 19189 B17R2.5365 Cc1ccc(cc1NCc2cccnc2)Br 207a_100000741167_100000209961 [0,2,0,0,0,0|0,0,0]=2 19190 B17R2.5365 Cc1ccc(cc1NCc2cccnc2)Br 270302a_100000741167_100000209961 [0,2,0,0,0,0|0,0,0]=2 19191 B17R2.5365 Cc1ccc(cc1NCc2cccnc2)Br 34a_100000741167_100000733263 [0,2,0,0,0,0|0,0,0]=2 19192 B17R2.5365 Cc1ccc(cc1NCc2cccnc2)Br 7a_100000741167_100000741622 [0,2,0,0,0,0|0,0,0]=2 19193 B17R2.5365 Cc1ccc(cc1NCc2cccnc2)Cl 207a_100000211374_100000209961 [0,2,0,0,0,0|0,0,0]=2 19194 B17R2.5365 Cc1ccc(cc1NCc2cccnc2)Cl 270302a_100000211374_100000209961 [0,2,0,0,0,0|0,0,0]=2 19195 B17R2.5365 Cc1ccc(cc1NCc2cccnc2)Cl 34a_100000211374_100000733263 [0,2,0,0,0,0|0,0,0]=2 19196 B17R2.5365 Cc1ccc(cc1NCc2cccnc2)Cl 7a_100000211374_100000741622 [0,2,0,0,0,0|0,0,0]=2 19197 B17R2.5365 Cc1ccc(cc1NCc2cccnc2)F 207a_100000211107_100000209961 [0,2,0,0,0,0|0,0,0]=2 19198 B17R2.5365 Cc1ccc(cc1NCc2cccnc2)F 270302a_100000211107_100000209961 [0,2,0,0,0,0|0,0,0]=2 19199 B17R2.5365 Cc1ccc(cc1NCc2cccnc2)F 34a_100000211107_100000733263 [0,2,0,0,0,0|0,0,0]=2 19200 B17R2.5365 Cc1ccc(cc1NCc2cccnc2)F 7a_100000211107_100000741622 [0,2,0,0,0,0|0,0,0]=2 19201 B17R2.5365 Cc1ccc(cc1NCc2cccnc2)I 207a_100000761890_100000209961 [0,2,0,0,0,0|0,0,0]=2 19202 B17R2.5365 Cc1ccc(cc1NCc2cccnc2)I 270302a_100000761890_100000209961 [0,2,0,0,0,0|0,0,0]=2 19203 B17R2.5365 Cc1ccc(cc1NCc2cccnc2)I 7a_100000761890_100000741622 [0,2,0,0,0,0|0,0,0]=2 19204 B17R2.5365 Cc1ccc(cc1NCc2cccnc2)O 270302a_100011216113_100000209961 [0,2,0,0,0,0|0,0,0]=2 19205 B17R2.5365 Cc1ccc(cc1NCc2cccnc2)O 34a_100011216113_100000733263 [0,2,0,0,0,0|0,0,0]=2 19206 B17R2.5365 Cc1ccc(cc1NCc2cccnn2)Br 34a_100000741167_100016990269 [0,2,0,0,0,0|1,0,0]=3 19207 B17R2.5365 Cc1ccc(cc1NCc2cccnn2)Br 7a_100000741167_100016990269 [0,2,0,0,0,0|1,0,0]=3 19208 B17R2.5365 Cc1ccc(cc1NCc2cccnn2)Cl 34a_100000211374_100016990269 [0,2,0,0,0,0|1,0,0]=3 19209 B17R2.5365 Cc1ccc(cc1NCc2cccnn2)Cl 7a_100000211374_100016990269 [0,2,0,0,0,0|1,0,0]=3 19210 B17R2.5365 Cc1ccc(cc1NCc2cccnn2)F 34a_100000211107_100016990269 [0,2,0,0,0,0|1,0,0]=3 19211 B17R2.5365 Cc1ccc(cc1NCc2cccnn2)F 7a_100000211107_100016990269 [0,2,0,0,0,0|1,0,0]=3 19212 B17R2.5365 Cc1ccc(cc1NCc2cccnn2)I 7a_100000761890_100016990269 [0,2,0,0,0,0|1,0,0]=3 19213 B17R2.5365 Cc1ccc(cc1NCc2cccnn2)O 34a_100011216113_100016990269 [0,2,0,0,0,0|1,0,0]=3 19214 B17R2.5365 Cc1ccc(cc1NCc2ccncc2)Br 207a_100000741167_100000186114 [0,2,0,0,0,0|2,0,0]=4 19215 B17R2.5365 Cc1ccc(cc1NCc2ccncc2)Br 7a_100000741167_100015193705 [0,2,0,0,0,0|2,0,0]=4 19216 B17R2.5365 Cc1ccc(cc1NCc2ccncc2)Cl 207a_100000211374_100000186114 [0,2,0,0,0,0|2,0,0]=4 19217 B17R2.5365 Cc1ccc(cc1NCc2ccncc2)Cl 7a_100000211374_100015193705 [0,2,0,0,0,0|2,0,0]=4 19218 B17R2.5365 Cc1ccc(cc1NCc2ccncc2)F 207a_100000211107_100000186114 [0,2,0,0,0,0|2,0,0]=4 19219 B17R2.5365 Cc1ccc(cc1NCc2ccncc2)F 7a_100000211107_100015193705 [0,2,0,0,0,0|2,0,0]=4 19220 B17R2.5365 Cc1ccc(cc1NCc2ccncc2)I 207a_100000761890_100000186114 [0,2,0,0,0,0|2,0,0]=4 19221 B17R2.5365 Cc1ccc(cc1NCc2ccncc2)I 7a_100000761890_100015193705 [0,2,0,0,0,0|2,0,0]=4 19222 B17R2.5365 Cc1ccc(cc1NCc2ccnnc2)Br 270302a_100000741167_100011934578 [0,2,0,0,0,0|1,0,0]=3 19223 B17R2.5365 Cc1ccc(cc1NCc2ccnnc2)Cl 270302a_100000211374_100011934578 [0,2,0,0,0,0|1,0,0]=3 19224 B17R2.5365 Cc1ccc(cc1NCc2ccnnc2)F 270302a_100000211107_100011934578 [0,2,0,0,0,0|1,0,0]=3 19225 B17R2.5365 Cc1ccc(cc1NCc2ccnnc2)I 270302a_100000761890_100011934578 [0,2,0,0,0,0|1,0,0]=3 19226 B17R2.5365 Cc1ccc(cc1NCc2ccnnc2)O 270302a_100011216113_100011934578 [0,2,0,0,0,0|1,0,0]=3 19227 B17R2.5365 Cc1ccc(cc1NCc2cnccn2)Br 34a_100000741167_100016995436 [0,2,0,0,0,0|1,0,0]=3 19228 B17R2.5365 Cc1ccc(cc1NCc2cnccn2)Br 7a_100000741167_100016995436 [0,2,0,0,0,0|1,0,0]=3 19229 B17R2.5365 Cc1ccc(cc1NCc2cnccn2)Cl 34a_100000211374_100016995436 [0,2,0,0,0,0|1,0,0]=3 19230 B17R2.5365 Cc1ccc(cc1NCc2cnccn2)Cl 7a_100000211374_100016995436 [0,2,0,0,0,0|1,0,0]=3 19231 B17R2.5365 Cc1ccc(cc1NCc2cnccn2)F 34a_100000211107_100016995436 [0,2,0,0,0,0|1,0,0]=3 19232 B17R2.5365 Cc1ccc(cc1NCc2cnccn2)F 7a_100000211107_100016995436 [0,2,0,0,0,0|1,0,0]=3 19233 B17R2.5365 Cc1ccc(cc1NCc2cnccn2)I 7a_100000761890_100016995436 [0,2,0,0,0,0|1,0,0]=3 19234 B17R2.5365 Cc1ccc(cc1NCc2cnccn2)O 34a_100011216113_100016995436 [0,2,0,0,0,0|1,0,0]=3 19235 B17R2.5365 Cc1ccc(cc1NCc2cncnc2)Br 270302a_100000741167_100000749868 [0,2,0,0,0,0|1,0,0]=3 19236 B17R2.5365 Cc1ccc(cc1NCc2cncnc2)Br 34a_100000741167_100015196519 [0,2,0,0,0,0|1,0,0]=3 19237 B17R2.5365 Cc1ccc(cc1NCc2cncnc2)Br 7a_100000741167_100015196519 [0,2,0,0,0,0|1,0,0]=3 19238 B17R2.5365 Cc1ccc(cc1NCc2cncnc2)Cl 270302a_100000211374_100000749868 [0,2,0,0,0,0|1,0,0]=3 19239 B17R2.5365 Cc1ccc(cc1NCc2cncnc2)Cl 34a_100000211374_100015196519 [0,2,0,0,0,0|1,0,0]=3 19240 B17R2.5365 Cc1ccc(cc1NCc2cncnc2)Cl 7a_100000211374_100015196519 [0,2,0,0,0,0|1,0,0]=3 19241 B17R2.5365 Cc1ccc(cc1NCc2cncnc2)F 270302a_100000211107_100000749868 [0,2,0,0,0,0|1,0,0]=3 19242 B17R2.5365 Cc1ccc(cc1NCc2cncnc2)F 34a_100000211107_100015196519 [0,2,0,0,0,0|1,0,0]=3 19243 B17R2.5365 Cc1ccc(cc1NCc2cncnc2)F 7a_100000211107_100015196519 [0,2,0,0,0,0|1,0,0]=3 19244 B17R2.5365 Cc1ccc(cc1NCc2cncnc2)I 270302a_100000761890_100000749868 [0,2,0,0,0,0|1,0,0]=3 19245 B17R2.5365 Cc1ccc(cc1NCc2cncnc2)I 7a_100000761890_100015196519 [0,2,0,0,0,0|1,0,0]=3 19246 B17R2.5365 Cc1ccc(cc1NCc2cncnc2)O 270302a_100011216113_100000749868 [0,2,0,0,0,0|1,0,0]=3 19247 B17R2.5365 Cc1ccc(cc1NCc2cncnc2)O 34a_100011216113_100015196519 [0,2,0,0,0,0|1,0,0]=3 19248 B17R2.5365 Cc1ccc(cc1OCc2ccccc2)Br 34a_100000685420_100015291786 [0,2,0,0,0,0|2,0,0]=4 19249 B17R2.5365 Cc1ccc(cc1OCc2ccccc2)Br 7a_100000685420_100000211182 [0,2,0,0,0,0|2,0,0]=4 19250 B17R2.5365 Cc1ccc(cc1OCc2ccccc2)Cl 34a_100000756515_100015291786 [0,2,0,0,0,0|2,0,0]=4 19251 B17R2.5365 Cc1ccc(cc1OCc2ccccc2)Cl 7a_100000756515_100000211182 [0,2,0,0,0,0|2,0,0]=4 19252 B17R2.5365 Cc1ccc(cc1OCc2ccccc2)F 34a_100000690566_100015291786 [0,2,0,0,0,0|2,0,0]=4 19253 B17R2.5365 Cc1ccc(cc1OCc2ccccc2)F 7a_100000690566_100000211182 [0,2,0,0,0,0|2,0,0]=4 19254 B17R2.5365 Cc1ccc(cc1OCc2ccccc2)I 7a_100000766334_100000211182 [0,2,0,0,0,0|2,0,0]=4 19255 B17R2.5365 Cc1ccc(cc1OCc2ccccc2)N 34a_100000759471_100015291786 [0,2,0,0,0,0|2,0,0]=4 19256 B17R2.5365 Cc1ccc(cc1OCc2ccccc2)N 7a_100000759471_100000211182 [0,2,0,0,0,0|2,0,0]=4 19257 B17R2.5365 Cc1ccc(cc1OCc2ccccc2)O 271570a_203496583355_200012360524 [0,2,0,0,0,0|2,0,0]=4 19258 B17R2.5365 Cc1ccc(cc1OCc2cccnc2)Br 34a_100000685420_100000733263 [0,2,0,0,0,0|1,0,0]=3 19259 B17R2.5365 Cc1ccc(cc1OCc2cccnc2)Br 7a_100000685420_100000741622 [0,2,0,0,0,0|1,0,0]=3 19260 B17R2.5365 Cc1ccc(cc1OCc2cccnc2)Cl 34a_100000756515_100000733263 [0,2,0,0,0,0|1,0,0]=3 19261 B17R2.5365 Cc1ccc(cc1OCc2cccnc2)Cl 7a_100000756515_100000741622 [0,2,0,0,0,0|1,0,0]=3 19262 B17R2.5365 Cc1ccc(cc1OCc2cccnc2)F 34a_100000690566_100000733263 [0,2,0,0,0,0|1,0,0]=3 19263 B17R2.5365 Cc1ccc(cc1OCc2cccnc2)F 7a_100000690566_100000741622 [0,2,0,0,0,0|1,0,0]=3 19264 B17R2.5365 Cc1ccc(cc1OCc2cccnc2)I 7a_100000766334_100000741622 [0,2,0,0,0,0|1,0,0]=3 19265 B17R2.5365 Cc1ccc(cc1OCc2cccnc2)N 34a_100000759471_100000733263 [0,2,0,0,0,0|1,0,0]=3 19266 B17R2.5365 Cc1ccc(cc1OCc2cccnc2)N 7a_100000759471_100000741622 [0,2,0,0,0,0|1,0,0]=3 19267 B17R2.5365 Cc1ccc(cc1OCc2cccnn2)Br 34a_100000685420_100016990269 [0,2,0,0,0,0|2,0,0]=4 19268 B17R2.5365 Cc1ccc(cc1OCc2cccnn2)Br 7a_100000685420_100016990269 [0,2,0,0,0,0|2,0,0]=4 19269 B17R2.5365 Cc1ccc(cc1OCc2cccnn2)Cl 34a_100000756515_100016990269 [0,2,0,0,0,0|2,0,0]=4 19270 B17R2.5365 Cc1ccc(cc1OCc2cccnn2)Cl 7a_100000756515_100016990269 [0,2,0,0,0,0|2,0,0]=4 19271 B17R2.5365 Cc1ccc(cc1OCc2cccnn2)F 34a_100000690566_100016990269 [0,2,0,0,0,0|2,0,0]=4 19272 B17R2.5365 Cc1ccc(cc1OCc2cccnn2)F 7a_100000690566_100016990269 [0,2,0,0,0,0|2,0,0]=4 19273 B17R2.5365 Cc1ccc(cc1OCc2cccnn2)I 7a_100000766334_100016990269 [0,2,0,0,0,0|2,0,0]=4 19274 B17R2.5365 Cc1ccc(cc1OCc2cccnn2)N 34a_100000759471_100016990269 [0,2,0,0,0,0|2,0,0]=4 19275 B17R2.5365 Cc1ccc(cc1OCc2cccnn2)N 7a_100000759471_100016990269 [0,2,0,0,0,0|2,0,0]=4 19276 B17R2.5365 Cc1ccc(cc1OCc2cnccn2)Br 34a_100000685420_100016995436 [0,2,0,0,0,0|2,0,0]=4 19277 B17R2.5365 Cc1ccc(cc1OCc2cnccn2)Br 7a_100000685420_100016995436 [0,2,0,0,0,0|2,0,0]=4 19278 B17R2.5365 Cc1ccc(cc1OCc2cnccn2)Cl 34a_100000756515_100016995436 [0,2,0,0,0,0|2,0,0]=4 19279 B17R2.5365 Cc1ccc(cc1OCc2cnccn2)Cl 7a_100000756515_100016995436 [0,2,0,0,0,0|2,0,0]=4 19280 B17R2.5365 Cc1ccc(cc1OCc2cnccn2)F 34a_100000690566_100016995436 [0,2,0,0,0,0|2,0,0]=4 19281 B17R2.5365 Cc1ccc(cc1OCc2cnccn2)F 7a_100000690566_100016995436 [0,2,0,0,0,0|2,0,0]=4 19282 B17R2.5365 Cc1ccc(cc1OCc2cnccn2)I 7a_100000766334_100016995436 [0,2,0,0,0,0|2,0,0]=4 19283 B17R2.5365 Cc1ccc(cc1OCc2cnccn2)N 34a_100000759471_100016995436 [0,2,0,0,0,0|2,0,0]=4 19284 B17R2.5365 Cc1ccc(cc1OCc2cnccn2)N 7a_100000759471_100016995436 [0,2,0,0,0,0|2,0,0]=4 19285 B17R2.5365 Cc1ccc(cc1OCc2cncnc2)Br 34a_100000685420_100015196519 [0,2,0,0,0,0|2,0,0]=4 19286 B17R2.5365 Cc1ccc(cc1OCc2cncnc2)Br 7a_100000685420_100015196519 [0,2,0,0,0,0|2,0,0]=4 19287 B17R2.5365 Cc1ccc(cc1OCc2cncnc2)Cl 34a_100000756515_100015196519 [0,2,0,0,0,0|2,0,0]=4 19288 B17R2.5365 Cc1ccc(cc1OCc2cncnc2)Cl 7a_100000756515_100015196519 [0,2,0,0,0,0|2,0,0]=4 19289 B17R2.5365 Cc1ccc(cc1OCc2cncnc2)F 34a_100000690566_100015196519 [0,2,0,0,0,0|2,0,0]=4 19290 B17R2.5365 Cc1ccc(cc1OCc2cncnc2)F 7a_100000690566_100015196519 [0,2,0,0,0,0|2,0,0]=4 19291 B17R2.5365 Cc1ccc(cc1OCc2cncnc2)I 7a_100000766334_100015196519 [0,2,0,0,0,0|2,0,0]=4 19292 B17R2.5365 Cc1ccc(cc1OCc2cncnc2)N 34a_100000759471_100015196519 [0,2,0,0,0,0|2,0,0]=4 19293 B17R2.5365 Cc1ccc(cc1OCc2cncnc2)N 7a_100000759471_100015196519 [0,2,0,0,0,0|2,0,0]=4 19294 B17R2.5365 Cc1ccc(cc1SCc2ccccc2)Br 62a_100000211182_100011344865 [0,2,0,0,0,0|2,0,0]=4 19295 B17R2.5365 Cc1ccc(cc1SCc2ccccc2)Br 62a_100011344865_100015291786 [0,2,0,0,0,0|2,0,0]=4 19296 B17R2.5365 Cc1ccc(cc1SCc2ccccc2)Cl 62a_100000211182_100011263213 [0,2,0,0,0,0|2,0,0]=4 19297 B17R2.5365 Cc1ccc(cc1SCc2ccccc2)Cl 62a_100011263213_100015291786 [0,2,0,0,0,0|2,0,0]=4 19298 B17R2.5365 Cc1ccc(cc1SCc2ccccc2)F 62a_100000211182_100011218078 [0,2,0,0,0,0|2,0,0]=4 19299 B17R2.5365 Cc1ccc(cc1SCc2ccccc2)F 62a_100011218078_100015291786 [0,2,0,0,0,0|2,0,0]=4 19300 B17R2.5365 Cc1ccc(cc1SCc2ccccc2)N 62a_100000211182_100000736455 [0,2,0,0,0,0|2,0,0]=4 19301 B17R2.5365 Cc1ccc(cc1SCc2ccccc2)N 62a_100000736455_100015291786 [0,2,0,0,0,0|2,0,0]=4 19302 B17R2.5365 Cc1ccc(cc1SCc2ccccc2)O 62a_100000211182_100011380479 [0,2,0,0,0,0|2,0,0]=4 19303 B17R2.5365 Cc1ccc(cc1SCc2ccccc2)O 62a_100011380479_100015291786 [0,2,0,0,0,0|2,0,0]=4 19304 B17R2.5365 Cc1ccc(cc1SCc2cccnc2)Br 62a_100000741622_100011344865 [0,2,0,0,0,0|1,0,0]=3 19305 B17R2.5365 Cc1ccc(cc1SCc2cccnc2)Br 62a_100011344865_100000741622 [0,2,0,0,0,0|1,0,0]=3 19306 B17R2.5365 Cc1ccc(cc1SCc2cccnc2)Cl 62a_100000741622_100011263213 [0,2,0,0,0,0|1,0,0]=3 19307 B17R2.5365 Cc1ccc(cc1SCc2cccnc2)Cl 62a_100011263213_100000741622 [0,2,0,0,0,0|1,0,0]=3 19308 B17R2.5365 Cc1ccc(cc1SCc2cccnc2)F 62a_100000741622_100011218078 [0,2,0,0,0,0|1,0,0]=3 19309 B17R2.5365 Cc1ccc(cc1SCc2cccnc2)F 62a_100011218078_100000741622 [0,2,0,0,0,0|1,0,0]=3 19310 B17R2.5365 Cc1ccc(cc1SCc2cccnc2)N 62a_100000736455_100000741622 [0,2,0,0,0,0|1,0,0]=3 19311 B17R2.5365 Cc1ccc(cc1SCc2cccnc2)N 62a_100000741622_100000736455 [0,2,0,0,0,0|1,0,0]=3 19312 B17R2.5365 Cc1ccc(cc1SCc2cccnc2)O 62a_100000741622_100011380479 [0,2,0,0,0,0|1,0,0]=3 19313 B17R2.5365 Cc1ccc(cc1SCc2cccnc2)O 62a_100011380479_100000741622 [0,2,0,0,0,0|1,0,0]=3 19314 B17R2.5365 Cc1ccc(cc1SCc2cccnn2)Br 62a_100011344865_100016990269 [0,2,0,0,0,0|2,0,0]=4 19315 B17R2.5365 Cc1ccc(cc1SCc2cccnn2)Br 62a_100016990269_100011344865 [0,2,0,0,0,0|2,0,0]=4 19316 B17R2.5365 Cc1ccc(cc1SCc2cccnn2)Cl 62a_100011263213_100016990269 [0,2,0,0,0,0|2,0,0]=4 19317 B17R2.5365 Cc1ccc(cc1SCc2cccnn2)Cl 62a_100016990269_100011263213 [0,2,0,0,0,0|2,0,0]=4 19318 B17R2.5365 Cc1ccc(cc1SCc2cccnn2)F 62a_100011218078_100016990269 [0,2,0,0,0,0|2,0,0]=4 19319 B17R2.5365 Cc1ccc(cc1SCc2cccnn2)F 62a_100016990269_100011218078 [0,2,0,0,0,0|2,0,0]=4 19320 B17R2.5365 Cc1ccc(cc1SCc2cccnn2)N 62a_100000736455_100016990269 [0,2,0,0,0,0|2,0,0]=4 19321 B17R2.5365 Cc1ccc(cc1SCc2cccnn2)N 62a_100016990269_100000736455 [0,2,0,0,0,0|2,0,0]=4 19322 B17R2.5365 Cc1ccc(cc1SCc2cccnn2)O 62a_100011380479_100016990269 [0,2,0,0,0,0|2,0,0]=4 19323 B17R2.5365 Cc1ccc(cc1SCc2cccnn2)O 62a_100016990269_100011380479 [0,2,0,0,0,0|2,0,0]=4 19324 B17R2.5365 Cc1ccc(cc1SCc2cnccn2)Br 62a_100011344865_100016995436 [0,2,0,0,0,0|2,0,0]=4 19325 B17R2.5365 Cc1ccc(cc1SCc2cnccn2)Br 62a_100016995436_100011344865 [0,2,0,0,0,0|2,0,0]=4 19326 B17R2.5365 Cc1ccc(cc1SCc2cnccn2)Cl 62a_100011263213_100016995436 [0,2,0,0,0,0|2,0,0]=4 19327 B17R2.5365 Cc1ccc(cc1SCc2cnccn2)Cl 62a_100016995436_100011263213 [0,2,0,0,0,0|2,0,0]=4 19328 B17R2.5365 Cc1ccc(cc1SCc2cnccn2)F 62a_100011218078_100016995436 [0,2,0,0,0,0|2,0,0]=4 19329 B17R2.5365 Cc1ccc(cc1SCc2cnccn2)F 62a_100016995436_100011218078 [0,2,0,0,0,0|2,0,0]=4 19330 B17R2.5365 Cc1ccc(cc1SCc2cnccn2)N 62a_100000736455_100016995436 [0,2,0,0,0,0|2,0,0]=4 19331 B17R2.5365 Cc1ccc(cc1SCc2cnccn2)N 62a_100016995436_100000736455 [0,2,0,0,0,0|2,0,0]=4 19332 B17R2.5365 Cc1ccc(cc1SCc2cnccn2)O 62a_100011380479_100016995436 [0,2,0,0,0,0|2,0,0]=4 19333 B17R2.5365 Cc1ccc(cc1SCc2cnccn2)O 62a_100016995436_100011380479 [0,2,0,0,0,0|2,0,0]=4 19334 B17R2.5365 Cc1ccc(cc1SCc2cncnc2)Br 62a_100011344865_100015196519 [0,2,0,0,0,0|2,0,0]=4 19335 B17R2.5365 Cc1ccc(cc1SCc2cncnc2)Br 62a_100015196519_100011344865 [0,2,0,0,0,0|2,0,0]=4 19336 B17R2.5365 Cc1ccc(cc1SCc2cncnc2)Cl 62a_100011263213_100015196519 [0,2,0,0,0,0|2,0,0]=4 19337 B17R2.5365 Cc1ccc(cc1SCc2cncnc2)Cl 62a_100015196519_100011263213 [0,2,0,0,0,0|2,0,0]=4 19338 B17R2.5365 Cc1ccc(cc1SCc2cncnc2)F 62a_100011218078_100015196519 [0,2,0,0,0,0|2,0,0]=4 19339 B17R2.5365 Cc1ccc(cc1SCc2cncnc2)F 62a_100015196519_100011218078 [0,2,0,0,0,0|2,0,0]=4 19340 B17R2.5365 Cc1ccc(cc1SCc2cncnc2)N 62a_100000736455_100015196519 [0,2,0,0,0,0|2,0,0]=4 19341 B17R2.5365 Cc1ccc(cc1SCc2cncnc2)N 62a_100015196519_100000736455 [0,2,0,0,0,0|2,0,0]=4 19342 B17R2.5365 Cc1ccc(cc1SCc2cncnc2)O 62a_100011380479_100015196519 [0,2,0,0,0,0|2,0,0]=4 19343 B17R2.5365 Cc1ccc(cc1SCc2cncnc2)O 62a_100015196519_100011380479 [0,2,0,0,0,0|2,0,0]=4 19344 B17R2.5365 Cc1ccc(nc1SCc2cccnc2)N 62a_100000126722_100000741622 [0,2,0,0,0,0|2,0,0]=4 19345 B17R2.5365 Cc1ccc(nc1SCc2cccnc2)N 62a_100000741622_100000126722 [0,2,0,0,0,0|2,0,0]=4 19346 B17R2.5365 Cc1cnc(c(c1)C#Cc2ccccc2)C 271570a_100000069678_100009817436 [0,2,0,0,0,0|1,0,1]=4 19347 B17R2.5365 Cc1cnc(c(c1)C#Cc2ccccc2)Cl 271570a_100000069678_100010210167 [0,2,0,0,0,0|1,0,1]=4 19348 B17R2.5365 Cc1cnc(c(c1)C#Cc2ccccc2)F 271570a_100000069678_100000049784 [0,2,0,0,0,0|1,0,1]=4 19349 B17R2.5365 Cc1cnc(c(c1)C#Cc2ccccc2)N 271570a_100000069678_100000049664 [0,2,0,0,0,0|1,0,1]=4 19350 B17R2.5365 Cc1cnc(c(c1)C#Cc2ccccc2)O 271570a_100000069678_100000049931 [0,2,0,0,0,0|1,0,1]=4 19351 B17R2.5365 Cc1cnc(c(c1)C=Cc2ccccc2)C 271570a_100102527694_100009817436 [0,2,0,0,0,0|1,0,1]=4 19352 B17R2.5365 Cc1cnc(c(c1)C=Cc2ccccc2)Cl 271570a_100102527694_100010210167 [0,2,0,0,0,0|1,0,1]=4 19353 B17R2.5365 Cc1cnc(c(c1)C=Cc2ccccc2)F 271570a_100102527694_100000049784 [0,2,0,0,0,0|1,0,1]=4 19354 B17R2.5365 Cc1cnc(c(c1)C=Cc2ccccc2)N 271570a_100102527694_100000049664 [0,2,0,0,0,0|1,0,1]=4 19355 B17R2.5365 Cc1cnc(c(c1)C=Cc2ccccc2)O 271570a_100102527694_100000049931 [0,2,0,0,0,0|1,0,1]=4 19356 B17R2.5365 Cc1cnc(c(c1)CNc2ccccc2)Cl 207a_100000106764_100000050350 [0,2,0,0,0,0|0,0,0]=2 19357 B17R2.5365 Cc1cnc(c(c1)CNc2ccccc2)Cl 270302a_100000106764_100000050350 [0,2,0,0,0,0|0,0,0]=2 19358 B17R2.5365 Cc1cnc(c(c1)CNc2ccccc2)F 207a_100000106764_100009854360 [0,2,0,0,0,0|0,0,0]=2 19359 B17R2.5365 Cc1cnc(c(c1)NCc2ccccc2)F 27a_100015324214_100009820679 [0,2,0,0,0,0|2,0,0]=4 19360 B17R2.5365 Cc1cnc(c(c1)NCc2cccnc2)F 27a_100000210453_100009820679 [0,2,0,0,0,0|1,0,0]=3 19361 B17R2.5365 Cc1cnc(c(c1)NCc2cccnn2)F 27a_100159270163_100009820679 [0,2,0,0,0,0|2,0,0]=4 19362 B17R2.5365 Cc1cnc(c(c1)NCc2cnccn2)F 27a_100000737960_100009820679 [0,2,0,0,0,0|2,0,0]=4 19363 B17R2.5365 Cc1cnc(c(c1)NCc2cncnc2)F 27a_100011243677_100009820679 [0,2,0,0,0,0|2,0,0]=4 19364 B17R2.5365 Cc1cnc(c(c1)OCc2ccccc2)Cl 34a_100012000487_100015291786 [0,2,0,0,0,0|2,0,0]=4 19365 B17R2.5365 Cc1cnc(c(c1)OCc2ccccc2)Cl 7a_100012000487_100000211182 [0,2,0,0,0,0|2,0,0]=4 19366 B17R2.5365 Cc1cnc(c(c1)OCc2ccccc2)F 34a_100009849810_100015291786 [0,2,0,0,0,0|2,0,0]=4 19367 B17R2.5365 Cc1cnc(c(c1)OCc2ccccc2)F 7a_100009849810_100000211182 [0,2,0,0,0,0|2,0,0]=4 19368 B17R2.5365 Cc1cnc(c(c1)OCc2cccnc2)Cl 34a_100012000487_100000733263 [0,2,0,0,0,0|2,0,0]=4 19369 B17R2.5365 Cc1cnc(c(c1)OCc2cccnc2)Cl 7a_100012000487_100000741622 [0,2,0,0,0,0|2,0,0]=4 19370 B17R2.5365 Cc1cnc(c(c1)OCc2cccnc2)F 34a_100009849810_100000733263 [0,2,0,0,0,0|2,0,0]=4 19371 B17R2.5365 Cc1cnc(c(c1)OCc2cccnc2)F 7a_100009849810_100000741622 [0,2,0,0,0,0|2,0,0]=4 19372 B17R2.5365 Cc1cnc(c(c1)SCc2ccccc2)C 62a_100000211182_100009817436 [0,2,0,0,0,0|2,0,0]=4 19373 B17R2.5365 Cc1cnc(c(c1)SCc2ccccc2)C 62a_100009817436_100015291786 [0,2,0,0,0,0|2,0,0]=4 19374 B17R2.5365 Cc1cnc(c(c1)SCc2ccccc2)Cl 62a_100000211182_100010210167 [0,2,0,0,0,0|2,0,0]=4 19375 B17R2.5365 Cc1cnc(c(c1)SCc2ccccc2)Cl 62a_100010210167_100015291786 [0,2,0,0,0,0|2,0,0]=4 19376 B17R2.5365 Cc1cnc(c(c1)SCc2ccccc2)F 62a_100000049784_100015291786 [0,2,0,0,0,0|2,0,0]=4 19377 B17R2.5365 Cc1cnc(c(c1)SCc2ccccc2)F 62a_100000211182_100000049784 [0,2,0,0,0,0|2,0,0]=4 19378 B17R2.5365 Cc1cnc(c(c1)SCc2ccccc2)N 62a_100000049664_100015291786 [0,2,0,0,0,0|2,0,0]=4 19379 B17R2.5365 Cc1cnc(c(c1)SCc2ccccc2)N 62a_100000211182_100000049664 [0,2,0,0,0,0|2,0,0]=4 19380 B17R2.5365 Cc1cnc(c(c1)SCc2ccccc2)O 62a_100000211182_100000719714 [0,2,0,0,0,0|2,0,0]=4 19381 B17R2.5365 Cc1cnc(c(c1)SCc2ccccc2)O 62a_100000719714_100015291786 [0,2,0,0,0,0|2,0,0]=4 19382 B17R2.5365 Cc1cnc(c(c1)SCc2cccnc2)C 62a_100000741622_100009817436 [0,2,0,0,0,0|2,0,0]=4 19383 B17R2.5365 Cc1cnc(c(c1)SCc2cccnc2)C 62a_100009817436_100000741622 [0,2,0,0,0,0|2,0,0]=4 19384 B17R2.5365 Cc1cnc(c(c1)SCc2cccnc2)Cl 62a_100000741622_100010210167 [0,2,0,0,0,0|2,0,0]=4 19385 B17R2.5365 Cc1cnc(c(c1)SCc2cccnc2)Cl 62a_100010210167_100000741622 [0,2,0,0,0,0|2,0,0]=4 19386 B17R2.5365 Cc1cnc(c(c1)SCc2cccnc2)F 62a_100000049784_100000741622 [0,2,0,0,0,0|2,0,0]=4 19387 B17R2.5365 Cc1cnc(c(c1)SCc2cccnc2)F 62a_100000741622_100000049784 [0,2,0,0,0,0|2,0,0]=4 19388 B17R2.5365 Cc1cnc(c(c1)SCc2cccnc2)N 62a_100000049664_100000741622 [0,2,0,0,0,0|2,0,0]=4 19389 B17R2.5365 Cc1cnc(c(c1)SCc2cccnc2)N 62a_100000741622_100000049664 [0,2,0,0,0,0|2,0,0]=4 19390 B17R2.5365 Cc1cnc(c(c1)SCc2cccnc2)O 62a_100000719714_100000741622 [0,2,0,0,0,0|2,0,0]=4 19391 B17R2.5365 Cc1cnc(c(c1)SCc2cccnc2)O 62a_100000741622_100000719714 [0,2,0,0,0,0|2,0,0]=4 19392 B17R2.5365 Cc1cnc(c(n1)NCc2cccnc2)C 27a_100000210453_100000211308 [0,2,0,0,0,0|2,0,0]=4 19393 B17R2.5365 Cc1cnc(cc1NCc2ccccc2)F 27a_100015324214_100000049870 [0,2,0,0,0,0|2,0,0]=4 19394 B17R2.5365 Cc1cnc(cc1NCc2cccnc2)F 27a_100000210453_100000049870 [0,2,0,0,0,0|1,0,0]=3 19395 B17R2.5365 Cc1cnc(cc1NCc2cccnn2)F 27a_100159270163_100000049870 [0,2,0,0,0,0|2,0,0]=4 19396 B17R2.5365 Cc1cnc(cc1NCc2cnccn2)F 27a_100000737960_100000049870 [0,2,0,0,0,0|2,0,0]=4 19397 B17R2.5365 Cc1cnc(cc1NCc2cncnc2)F 27a_100011243677_100000049870 [0,2,0,0,0,0|2,0,0]=4 19398 B17R2.5365 Cc1cnc(cc1OCc2cccnc2)Br 34a_100000704368_100000733263 [0,2,0,0,0,0|2,0,0]=4 19399 B17R2.5365 Cc1cnc(cc1OCc2cccnc2)Br 7a_100000704368_100000741622 [0,2,0,0,0,0|2,0,0]=4 19400 B17R2.5365 Cc1cnc(cc1SCc2cccnc2)Br 62a_100000741622_100010067628 [0,2,0,0,0,0|2,0,0]=4 19401 B17R2.5365 Cc1cnc(cc1SCc2cccnc2)Br 62a_100010067628_100000741622 [0,2,0,0,0,0|2,0,0]=4 19402 B17R2.5365 Cc1cnc(cc1SCc2cccnc2)Cl 62a_100000741622_100010068021 [0,2,0,0,0,0|2,0,0]=4 19403 B17R2.5365 Cc1cnc(cc1SCc2cccnc2)Cl 62a_100010068021_100000741622 [0,2,0,0,0,0|2,0,0]=4 19404 B17R2.5365 Cc1cnc(cc1SCc2cccnc2)F 62a_100000049870_100000741622 [0,2,0,0,0,0|2,0,0]=4 19405 B17R2.5365 Cc1cnc(cc1SCc2cccnc2)F 62a_100000741622_100000049870 [0,2,0,0,0,0|2,0,0]=4 19406 B17R2.5365 Cc1cnc(cc1SCc2cccnc2)N 62a_100000741622_100009819938 [0,2,0,0,0,0|2,0,0]=4 19407 B17R2.5365 Cc1cnc(cc1SCc2cccnc2)N 62a_100009819938_100000741622 [0,2,0,0,0,0|2,0,0]=4 19408 B17R2.5365 Cc1cnc(cc1SCc2cccnc2)O 62a_100000741622_100009831917 [0,2,0,0,0,0|2,0,0]=4 19409 B17R2.5365 Cc1cnc(cc1SCc2cccnc2)O 62a_100009831917_100000741622 [0,2,0,0,0,0|2,0,0]=4 19410 B17R2.5365 Cc1cnc(nc1NCc2cccnc2)N 27a_100000210453_100000016107 [0,2,0,0,0,0|2,0,0]=4 19411 B17R2.5365 Cc1ncc(c(n1)NCc2cccnc2)F 27a_100000210453_100000059819 [0,2,0,0,0,0|2,0,0]=4 19412 B17R2.5365 Cc1ncc(c(n1)NCc2cccnc2)N 27a_100000210453_100009873743 [0,2,0,0,0,0|2,0,0]=4 19413 B17R2.5365 Cc1ncc(cc1C#Cc2ccccc2)Br 271570a_100000069678_200010090566 [0,2,0,0,0,0|1,0,1]=4 19414 B17R2.5365 Cc1ncc(cc1C#Cc2ccccc2)F 271570a_100000069678_100009860710 [0,2,0,0,0,0|1,0,1]=4 19415 B17R2.5365 Cc1ncc(cc1C#Cc2ccccc2)N 271570a_100000069678_100011998591 [0,2,0,0,0,0|1,0,1]=4 19416 B17R2.5365 Cc1ncc(cc1C#Cc2ccccc2)O 271570a_100000069678_100009819603 [0,2,0,0,0,0|1,0,1]=4 19417 B17R2.5365 Cc1ncc(cc1C=Cc2ccccc2)Br 271570a_100102527694_200010090566 [0,2,0,0,0,0|1,0,1]=4 19418 B17R2.5365 Cc1ncc(cc1C=Cc2ccccc2)F 271570a_100102527694_100009860710 [0,2,0,0,0,0|1,0,1]=4 19419 B17R2.5365 Cc1ncc(cc1C=Cc2ccccc2)N 271570a_100102527694_100011998591 [0,2,0,0,0,0|1,0,1]=4 19420 B17R2.5365 Cc1ncc(cc1C=Cc2ccccc2)O 271570a_100102527694_100009819603 [0,2,0,0,0,0|1,0,1]=4 19421 B17R2.5365 Cc1ncc(cc1CNc2ccccc2)Cl 207a_100000106764_100000100030 [0,2,0,0,0,0|0,0,0]=2 19422 B17R2.5365 Cc1ncc(cc1CNc2ccccc2)Cl 270302a_100000106764_100000100030 [0,2,0,0,0,0|0,0,0]=2 19423 B17R2.5365 Cc1ncc(cc1OCc2ccccc2)Br 34a_100009864810_100015291786 [0,2,0,0,0,0|2,0,0]=4 19424 B17R2.5365 Cc1ncc(cc1OCc2ccccc2)Br 7a_100009864810_100000211182 [0,2,0,0,0,0|2,0,0]=4 19425 B17R2.5365 Cc1ncc(cc1OCc2cccnc2)Br 34a_100009864810_100000733263 [0,2,0,0,0,0|2,0,0]=4 19426 B17R2.5365 Cc1ncc(cc1OCc2cccnc2)Br 7a_100009864810_100000741622 [0,2,0,0,0,0|2,0,0]=4 19427 B17R2.5365 Cc1ncc(cc1SCc2ccccc2)Br 62a_100000211182_200010090566 [0,2,0,0,0,0|2,0,0]=4 19428 B17R2.5365 Cc1ncc(cc1SCc2ccccc2)Br 62a_200010090566_100015291786 [0,2,0,0,0,0|2,0,0]=4 19429 B17R2.5365 Cc1ncc(cc1SCc2ccccc2)F 62a_100000211182_100009860710 [0,2,0,0,0,0|2,0,0]=4 19430 B17R2.5365 Cc1ncc(cc1SCc2ccccc2)F 62a_100009860710_100015291786 [0,2,0,0,0,0|2,0,0]=4 19431 B17R2.5365 Cc1ncc(cc1SCc2ccccc2)N 62a_100000211182_100011998591 [0,2,0,0,0,0|2,0,0]=4 19432 B17R2.5365 Cc1ncc(cc1SCc2ccccc2)N 62a_100011998591_100015291786 [0,2,0,0,0,0|2,0,0]=4 19433 B17R2.5365 Cc1ncc(cc1SCc2ccccc2)O 62a_100000211182_100009819603 [0,2,0,0,0,0|2,0,0]=4 19434 B17R2.5365 Cc1ncc(cc1SCc2ccccc2)O 62a_100009819603_100015291786 [0,2,0,0,0,0|2,0,0]=4 19435 B17R2.5365 Cc1ncc(cc1SCc2cccnc2)Br 62a_100000741622_200010090566 [0,2,0,0,0,0|2,0,0]=4 19436 B17R2.5365 Cc1ncc(cc1SCc2cccnc2)Br 62a_200010090566_100000741622 [0,2,0,0,0,0|2,0,0]=4 19437 B17R2.5365 Cc1ncc(cc1SCc2cccnc2)F 62a_100000741622_100009860710 [0,2,0,0,0,0|2,0,0]=4 19438 B17R2.5365 Cc1ncc(cc1SCc2cccnc2)F 62a_100009860710_100000741622 [0,2,0,0,0,0|2,0,0]=4 19439 B17R2.5365 Cc1ncc(cc1SCc2cccnc2)N 62a_100000741622_100011998591 [0,2,0,0,0,0|2,0,0]=4 19440 B17R2.5365 Cc1ncc(cc1SCc2cccnc2)N 62a_100011998591_100000741622 [0,2,0,0,0,0|2,0,0]=4 19441 B17R2.5365 Cc1ncc(cc1SCc2cccnc2)O 62a_100000741622_100009819603 [0,2,0,0,0,0|2,0,0]=4 19442 B17R2.5365 Cc1ncc(cc1SCc2cccnc2)O 62a_100009819603_100000741622 [0,2,0,0,0,0|2,0,0]=4 19443 B17R2.5365 Clc1cc(c(cn1)Br)OCc2cccnc2 34a_100010173860_100000733263 [0,2,0,0,0,0|2,0,0]=4 19444 B17R2.5365 Clc1cc(c(cn1)Br)SCc2cccnc2 62a_100000741622_100009815598 [0,2,0,0,0,0|2,0,0]=4 19445 B17R2.5365 Clc1cc(c(cn1)Br)SCc2cccnc2 62a_100009815598_100000741622 [0,2,0,0,0,0|2,0,0]=4 19446 B17R2.5365 Clc1cc(c(cn1)Cl)SCc2cccnc2 62a_100000741622_100010172835 [0,2,0,0,0,0|2,0,0]=4 19447 B17R2.5365 Clc1cc(c(cn1)Cl)SCc2cccnc2 62a_100010172835_100000741622 [0,2,0,0,0,0|2,0,0]=4 19448 B17R2.5365 Clc1ccc(c(c1)C=Cc2cccnc2)Br 271570a_100102525586_100012339723 [0,2,0,0,0,0|1,0,1]=4 19449 B17R2.5365 Clc1ccc(c(c1)C=Cc2cccnc2)Cl 271570a_100102525586_100000707729 [0,2,0,0,0,0|1,0,1]=4 19450 B17R2.5365 Clc1ccc(c(c1)CNc2ccccc2)Br 207a_100000106764_100000746314 [0,2,0,0,0,0|1,0,0]=3 19451 B17R2.5365 Clc1ccc(c(c1)CNc2ccccc2)Br 270302a_100000106764_100000746314 [0,2,0,0,0,0|1,0,0]=3 19452 B17R2.5365 Clc1ccc(c(c1)CNc2ccccc2)Br 34a_100000106764_100000733903 [0,2,0,0,0,0|1,0,0]=3 19453 B17R2.5365 Clc1ccc(c(c1)CNc2ccccc2)Cl 207a_100000106764_100000746308 [0,2,0,0,0,0|1,0,0]=3 19454 B17R2.5365 Clc1ccc(c(c1)CNc2ccccc2)Cl 270302a_100000106764_100000746308 [0,2,0,0,0,0|1,0,0]=3 19455 B17R2.5365 Clc1ccc(c(c1)CNc2ccccc2)Cl 34a_100000106764_100000756322 [0,2,0,0,0,0|1,0,0]=3 19456 B17R2.5365 Clc1ccc(c(c1)CNc2ccccc2)I 207a_100000106764_100010254386 [0,2,0,0,0,0|1,0,0]=3 19457 B17R2.5365 Clc1ccc(c(c1)CNc2ccccc2)I 34a_100000106764_100012348826 [0,2,0,0,0,0|1,0,0]=3 19458 B17R2.5365 Clc1ccc(c(c1)COc2ccccc2)Br 34a_100000210340_100000733903 [0,2,0,0,0,0|2,0,0]=4 19459 B17R2.5365 Clc1ccc(c(c1)COc2ccccc2)Br 7a_100000210340_100000733903 [0,2,0,0,0,0|2,0,0]=4 19460 B17R2.5365 Clc1ccc(c(c1)COc2ccccc2)Cl 34a_100000210340_100000756322 [0,2,0,0,0,0|2,0,0]=4 19461 B17R2.5365 Clc1ccc(c(c1)COc2ccccc2)Cl 7a_100000210340_100000756322 [0,2,0,0,0,0|2,0,0]=4 19462 B17R2.5365 Clc1ccc(c(c1)COc2ccccc2)I 34a_100000210340_100012348826 [0,2,0,0,0,0|2,0,0]=4 19463 B17R2.5365 Clc1ccc(c(c1)COc2ccccc2)I 7a_100000210340_100012348826 [0,2,0,0,0,0|2,0,0]=4 19464 B17R2.5365 Clc1ccc(c(c1)COc2cccnc2)Br 34a_100000210849_100000733903 [0,2,0,0,0,0|2,0,0]=4 19465 B17R2.5365 Clc1ccc(c(c1)COc2cccnc2)Br 7a_100000210849_100000733903 [0,2,0,0,0,0|2,0,0]=4 19466 B17R2.5365 Clc1ccc(c(c1)COc2cccnc2)Cl 34a_100000210849_100000756322 [0,2,0,0,0,0|2,0,0]=4 19467 B17R2.5365 Clc1ccc(c(c1)COc2cccnc2)Cl 7a_100000210849_100000756322 [0,2,0,0,0,0|2,0,0]=4 19468 B17R2.5365 Clc1ccc(c(c1)COc2cccnc2)I 34a_100000210849_100012348826 [0,2,0,0,0,0|2,0,0]=4 19469 B17R2.5365 Clc1ccc(c(c1)COc2cccnc2)I 7a_100000210849_100012348826 [0,2,0,0,0,0|2,0,0]=4 19470 B17R2.5365 Clc1ccc(c(c1)CSc2ccccc2)Br 62a_100000719477_100000733903 [0,2,0,0,0,0|2,0,0]=4 19471 B17R2.5365 Clc1ccc(c(c1)CSc2ccccc2)Br 62a_100000733903_100000041952 [0,2,0,0,0,0|2,0,0]=4 19472 B17R2.5365 Clc1ccc(c(c1)CSc2ccccc2)Cl 62a_100000719477_100000756322 [0,2,0,0,0,0|2,0,0]=4 19473 B17R2.5365 Clc1ccc(c(c1)CSc2ccccc2)Cl 62a_100000756322_100000041952 [0,2,0,0,0,0|2,0,0]=4 19474 B17R2.5365 Clc1ccc(c(c1)CSc2ccccc2)I 62a_100000719477_100012348826 [0,2,0,0,0,0|2,0,0]=4 19475 B17R2.5365 Clc1ccc(c(c1)CSc2ccccc2)I 62a_100012348826_100000041952 [0,2,0,0,0,0|2,0,0]=4 19476 B17R2.5365 Clc1ccc(c(c1)CSc2cccnc2)Br 62a_100000210063_100000733903 [0,2,0,0,0,0|2,0,0]=4 19477 B17R2.5365 Clc1ccc(c(c1)CSc2cccnc2)Br 62a_100000733903_100000210063 [0,2,0,0,0,0|2,0,0]=4 19478 B17R2.5365 Clc1ccc(c(c1)CSc2cccnc2)Cl 62a_100000210063_100000756322 [0,2,0,0,0,0|2,0,0]=4 19479 B17R2.5365 Clc1ccc(c(c1)CSc2cccnc2)Cl 62a_100000756322_100000210063 [0,2,0,0,0,0|2,0,0]=4 19480 B17R2.5365 Clc1ccc(c(c1)CSc2cccnc2)I 62a_100000210063_100012348826 [0,2,0,0,0,0|2,0,0]=4 19481 B17R2.5365 Clc1ccc(c(c1)CSc2cccnc2)I 62a_100012348826_100000210063 [0,2,0,0,0,0|2,0,0]=4 19482 B17R2.5365 Clc1ccc(c(c1)NCc2ccccc2)Br 34a_100000687073_100015291786 [0,2,0,0,0,0|1,0,0]=3 19483 B17R2.5365 Clc1ccc(c(c1)NCc2ccccc2)Cl 270302a_100000184485_100015611070 [0,2,0,0,0,0|1,0,0]=3 19484 B17R2.5365 Clc1ccc(c(c1)NCc2ccccc2)Cl 34a_100000184485_100015291786 [0,2,0,0,0,0|1,0,0]=3 19485 B17R2.5365 Clc1ccc(c(c1)NCc2ccccc2)I 34a_100000761886_100015291786 [0,2,0,0,0,0|1,0,0]=3 19486 B17R2.5365 Clc1ccc(c(c1)NCc2ccccn2)Br 34a_100000687073_100000721315 [0,2,0,0,0,0|2,0,0]=4 19487 B17R2.5365 Clc1ccc(c(c1)NCc2ccccn2)Cl 270302a_100000184485_100000209966 [0,2,0,0,0,0|2,0,0]=4 19488 B17R2.5365 Clc1ccc(c(c1)NCc2ccccn2)Cl 34a_100000184485_100000721315 [0,2,0,0,0,0|2,0,0]=4 19489 B17R2.5365 Clc1ccc(c(c1)NCc2ccccn2)I 34a_100000761886_100000721315 [0,2,0,0,0,0|2,0,0]=4 19490 B17R2.5365 Clc1ccc(c(c1)NCc2cccnc2)Br 34a_100000687073_100000733263 [0,2,0,0,0,0|0,0,0]=2 19491 B17R2.5365 Clc1ccc(c(c1)NCc2cccnc2)Cl 270302a_100000184485_100000209961 [0,2,0,0,0,0|0,0,0]=2 19492 B17R2.5365 Clc1ccc(c(c1)NCc2cccnc2)Cl 34a_100000184485_100000733263 [0,2,0,0,0,0|0,0,0]=2 19493 B17R2.5365 Clc1ccc(c(c1)NCc2cccnc2)I 34a_100000761886_100000733263 [0,2,0,0,0,0|0,0,0]=2 19494 B17R2.5365 Clc1ccc(c(c1)NCc2cccnn2)Br 34a_100000687073_100016990269 [0,2,0,0,0,0|1,0,0]=3 19495 B17R2.5365 Clc1ccc(c(c1)NCc2cccnn2)Cl 34a_100000184485_100016990269 [0,2,0,0,0,0|1,0,0]=3 19496 B17R2.5365 Clc1ccc(c(c1)NCc2cccnn2)I 34a_100000761886_100016990269 [0,2,0,0,0,0|1,0,0]=3 19497 B17R2.5365 Clc1ccc(c(c1)NCc2ccnnc2)Cl 270302a_100000184485_100011934578 [0,2,0,0,0,0|1,0,0]=3 19498 B17R2.5365 Clc1ccc(c(c1)NCc2cnccn2)Br 34a_100000687073_100016995436 [0,2,0,0,0,0|1,0,0]=3 19499 B17R2.5365 Clc1ccc(c(c1)NCc2cnccn2)Cl 34a_100000184485_100016995436 [0,2,0,0,0,0|1,0,0]=3 19500 B17R2.5365 Clc1ccc(c(c1)NCc2cnccn2)I 34a_100000761886_100016995436 [0,2,0,0,0,0|1,0,0]=3 19501 B17R2.5365 Clc1ccc(c(c1)NCc2cncnc2)Br 34a_100000687073_100015196519 [0,2,0,0,0,0|1,0,0]=3 19502 B17R2.5365 Clc1ccc(c(c1)NCc2cncnc2)Cl 270302a_100000184485_100000749868 [0,2,0,0,0,0|1,0,0]=3 19503 B17R2.5365 Clc1ccc(c(c1)NCc2cncnc2)Cl 34a_100000184485_100015196519 [0,2,0,0,0,0|1,0,0]=3 19504 B17R2.5365 Clc1ccc(c(c1)NCc2cncnc2)I 34a_100000761886_100015196519 [0,2,0,0,0,0|1,0,0]=3 19505 B17R2.5365 Clc1ccc(c(c1)OCc2ccccc2)Br 34a_100012339455_100015291786 [0,2,0,0,0,0|2,0,0]=4 19506 B17R2.5365 Clc1ccc(c(c1)OCc2ccccc2)Br 7a_100012339455_100000211182 [0,2,0,0,0,0|2,0,0]=4 19507 B17R2.5365 Clc1ccc(c(c1)OCc2ccccc2)Cl 34a_100000211422_100015291786 [0,2,0,0,0,0|2,0,0]=4 19508 B17R2.5365 Clc1ccc(c(c1)OCc2ccccc2)Cl 7a_100000211422_100000211182 [0,2,0,0,0,0|2,0,0]=4 19509 B17R2.5365 Clc1ccc(c(c1)OCc2ccccc2)I 34a_100000050036_100015291786 [0,2,0,0,0,0|2,0,0]=4 19510 B17R2.5365 Clc1ccc(c(c1)OCc2ccccc2)I 7a_100000050036_100000211182 [0,2,0,0,0,0|2,0,0]=4 19511 B17R2.5365 Clc1ccc(c(c1)OCc2cccnc2)Br 34a_100012339455_100000733263 [0,2,0,0,0,0|1,0,0]=3 19512 B17R2.5365 Clc1ccc(c(c1)OCc2cccnc2)Br 7a_100012339455_100000741622 [0,2,0,0,0,0|1,0,0]=3 19513 B17R2.5365 Clc1ccc(c(c1)OCc2cccnc2)Cl 34a_100000211422_100000733263 [0,2,0,0,0,0|1,0,0]=3 19514 B17R2.5365 Clc1ccc(c(c1)OCc2cccnc2)Cl 7a_100000211422_100000741622 [0,2,0,0,0,0|1,0,0]=3 19515 B17R2.5365 Clc1ccc(c(c1)OCc2cccnc2)I 34a_100000050036_100000733263 [0,2,0,0,0,0|1,0,0]=3 19516 B17R2.5365 Clc1ccc(c(c1)OCc2cccnc2)I 7a_100000050036_100000741622 [0,2,0,0,0,0|1,0,0]=3 19517 B17R2.5365 Clc1ccc(c(c1)OCc2cccnn2)Br 34a_100012339455_100016990269 [0,2,0,0,0,0|2,0,0]=4 19518 B17R2.5365 Clc1ccc(c(c1)OCc2cccnn2)Br 7a_100012339455_100016990269 [0,2,0,0,0,0|2,0,0]=4 19519 B17R2.5365 Clc1ccc(c(c1)OCc2cccnn2)Cl 34a_100000211422_100016990269 [0,2,0,0,0,0|2,0,0]=4 19520 B17R2.5365 Clc1ccc(c(c1)OCc2cccnn2)Cl 7a_100000211422_100016990269 [0,2,0,0,0,0|2,0,0]=4 19521 B17R2.5365 Clc1ccc(c(c1)OCc2cccnn2)I 34a_100000050036_100016990269 [0,2,0,0,0,0|2,0,0]=4 19522 B17R2.5365 Clc1ccc(c(c1)OCc2cccnn2)I 7a_100000050036_100016990269 [0,2,0,0,0,0|2,0,0]=4 19523 B17R2.5365 Clc1ccc(c(c1)OCc2cnccn2)Br 34a_100012339455_100016995436 [0,2,0,0,0,0|2,0,0]=4 19524 B17R2.5365 Clc1ccc(c(c1)OCc2cnccn2)Br 7a_100012339455_100016995436 [0,2,0,0,0,0|2,0,0]=4 19525 B17R2.5365 Clc1ccc(c(c1)OCc2cnccn2)Cl 34a_100000211422_100016995436 [0,2,0,0,0,0|2,0,0]=4 19526 B17R2.5365 Clc1ccc(c(c1)OCc2cnccn2)Cl 7a_100000211422_100016995436 [0,2,0,0,0,0|2,0,0]=4 19527 B17R2.5365 Clc1ccc(c(c1)OCc2cnccn2)I 34a_100000050036_100016995436 [0,2,0,0,0,0|2,0,0]=4 19528 B17R2.5365 Clc1ccc(c(c1)OCc2cnccn2)I 7a_100000050036_100016995436 [0,2,0,0,0,0|2,0,0]=4 19529 B17R2.5365 Clc1ccc(c(c1)OCc2cncnc2)Br 34a_100012339455_100015196519 [0,2,0,0,0,0|2,0,0]=4 19530 B17R2.5365 Clc1ccc(c(c1)OCc2cncnc2)Br 7a_100012339455_100015196519 [0,2,0,0,0,0|2,0,0]=4 19531 B17R2.5365 Clc1ccc(c(c1)OCc2cncnc2)Cl 34a_100000211422_100015196519 [0,2,0,0,0,0|2,0,0]=4 19532 B17R2.5365 Clc1ccc(c(c1)OCc2cncnc2)Cl 7a_100000211422_100015196519 [0,2,0,0,0,0|2,0,0]=4 19533 B17R2.5365 Clc1ccc(c(c1)OCc2cncnc2)I 34a_100000050036_100015196519 [0,2,0,0,0,0|2,0,0]=4 19534 B17R2.5365 Clc1ccc(c(c1)OCc2cncnc2)I 7a_100000050036_100015196519 [0,2,0,0,0,0|2,0,0]=4 19535 B17R2.5365 Clc1ccc(c(c1)SCc2ccccc2)Br 62a_100000211182_100012339723 [0,2,0,0,0,0|2,0,0]=4 19536 B17R2.5365 Clc1ccc(c(c1)SCc2ccccc2)Br 62a_100012339723_100015291786 [0,2,0,0,0,0|2,0,0]=4 19537 B17R2.5365 Clc1ccc(c(c1)SCc2ccccc2)Cl 62a_100000211182_100000707729 [0,2,0,0,0,0|2,0,0]=4 19538 B17R2.5365 Clc1ccc(c(c1)SCc2ccccc2)Cl 62a_100000707729_100015291786 [0,2,0,0,0,0|2,0,0]=4 19539 B17R2.5365 Clc1ccc(c(c1)SCc2cccnc2)Br 62a_100000741622_100012339723 [0,2,0,0,0,0|1,0,0]=3 19540 B17R2.5365 Clc1ccc(c(c1)SCc2cccnc2)Br 62a_100012339723_100000741622 [0,2,0,0,0,0|1,0,0]=3 19541 B17R2.5365 Clc1ccc(c(c1)SCc2cccnc2)Cl 62a_100000707729_100000741622 [0,2,0,0,0,0|1,0,0]=3 19542 B17R2.5365 Clc1ccc(c(c1)SCc2cccnc2)Cl 62a_100000741622_100000707729 [0,2,0,0,0,0|1,0,0]=3 19543 B17R2.5365 Clc1ccc(c(c1)SCc2cccnn2)Br 62a_100012339723_100016990269 [0,2,0,0,0,0|2,0,0]=4 19544 B17R2.5365 Clc1ccc(c(c1)SCc2cccnn2)Br 62a_100016990269_100012339723 [0,2,0,0,0,0|2,0,0]=4 19545 B17R2.5365 Clc1ccc(c(c1)SCc2cccnn2)Cl 62a_100000707729_100016990269 [0,2,0,0,0,0|2,0,0]=4 19546 B17R2.5365 Clc1ccc(c(c1)SCc2cccnn2)Cl 62a_100016990269_100000707729 [0,2,0,0,0,0|2,0,0]=4 19547 B17R2.5365 Clc1ccc(c(c1)SCc2cnccn2)Br 62a_100012339723_100016995436 [0,2,0,0,0,0|2,0,0]=4 19548 B17R2.5365 Clc1ccc(c(c1)SCc2cnccn2)Br 62a_100016995436_100012339723 [0,2,0,0,0,0|2,0,0]=4 19549 B17R2.5365 Clc1ccc(c(c1)SCc2cnccn2)Cl 62a_100000707729_100016995436 [0,2,0,0,0,0|2,0,0]=4 19550 B17R2.5365 Clc1ccc(c(c1)SCc2cnccn2)Cl 62a_100016995436_100000707729 [0,2,0,0,0,0|2,0,0]=4 19551 B17R2.5365 Clc1ccc(c(c1)SCc2cncnc2)Br 62a_100012339723_100015196519 [0,2,0,0,0,0|2,0,0]=4 19552 B17R2.5365 Clc1ccc(c(c1)SCc2cncnc2)Br 62a_100015196519_100012339723 [0,2,0,0,0,0|2,0,0]=4 19553 B17R2.5365 Clc1ccc(c(c1)SCc2cncnc2)Cl 62a_100000707729_100015196519 [0,2,0,0,0,0|2,0,0]=4 19554 B17R2.5365 Clc1ccc(c(c1)SCc2cncnc2)Cl 62a_100015196519_100000707729 [0,2,0,0,0,0|2,0,0]=4 19555 B17R2.5365 Clc1ccc(c(n1)CNc2ccccc2)Cl 34a_100000106764_100000059412 [0,2,0,0,0,0|2,0,0]=4 19556 B17R2.5365 Clc1ccc(cc1C=Cc2cccnc2)Br 271570a_100102525586_100011772130 [0,2,0,0,0,0|1,0,1]=4 19557 B17R2.5365 Clc1ccc(cc1CNc2ccccc2)Br 207a_100000106764_100000746309 [0,2,0,0,0,0|1,0,0]=3 19558 B17R2.5365 Clc1ccc(cc1CNc2ccccc2)Br 270302a_100000106764_100000746309 [0,2,0,0,0,0|1,0,0]=3 19559 B17R2.5365 Clc1ccc(cc1CNc2ccccc2)Br 34a_100000106764_100000763347 [0,2,0,0,0,0|1,0,0]=3 19560 B17R2.5365 Clc1ccc(cc1CNc2ccccc2)I 207a_100000106764_100010254384 [0,2,0,0,0,0|1,0,0]=3 19561 B17R2.5365 Clc1ccc(cc1CNc2ccccc2)I 34a_100000106764_100010188191 [0,2,0,0,0,0|1,0,0]=3 19562 B17R2.5365 Clc1ccc(cc1COc2ccccc2)Br 34a_100000210340_100000763347 [0,2,0,0,0,0|2,0,0]=4 19563 B17R2.5365 Clc1ccc(cc1COc2ccccc2)Br 7a_100000210340_100000763347 [0,2,0,0,0,0|2,0,0]=4 19564 B17R2.5365 Clc1ccc(cc1COc2ccccc2)I 34a_100000210340_100010188191 [0,2,0,0,0,0|2,0,0]=4 19565 B17R2.5365 Clc1ccc(cc1COc2ccccc2)I 7a_100000210340_100010188191 [0,2,0,0,0,0|2,0,0]=4 19566 B17R2.5365 Clc1ccc(cc1COc2cccnc2)Br 34a_100000210849_100000763347 [0,2,0,0,0,0|2,0,0]=4 19567 B17R2.5365 Clc1ccc(cc1COc2cccnc2)Br 7a_100000210849_100000763347 [0,2,0,0,0,0|2,0,0]=4 19568 B17R2.5365 Clc1ccc(cc1COc2cccnc2)I 34a_100000210849_100010188191 [0,2,0,0,0,0|2,0,0]=4 19569 B17R2.5365 Clc1ccc(cc1COc2cccnc2)I 7a_100000210849_100010188191 [0,2,0,0,0,0|2,0,0]=4 19570 B17R2.5365 Clc1ccc(cc1CSc2ccccc2)Br 62a_100000719477_100000763347 [0,2,0,0,0,0|2,0,0]=4 19571 B17R2.5365 Clc1ccc(cc1CSc2ccccc2)Br 62a_100000763347_100000041952 [0,2,0,0,0,0|2,0,0]=4 19572 B17R2.5365 Clc1ccc(cc1CSc2ccccc2)I 62a_100000719477_100010188191 [0,2,0,0,0,0|2,0,0]=4 19573 B17R2.5365 Clc1ccc(cc1CSc2ccccc2)I 62a_100010188191_100000041952 [0,2,0,0,0,0|2,0,0]=4 19574 B17R2.5365 Clc1ccc(cc1CSc2cccnc2)Br 62a_100000210063_100000763347 [0,2,0,0,0,0|2,0,0]=4 19575 B17R2.5365 Clc1ccc(cc1CSc2cccnc2)Br 62a_100000763347_100000210063 [0,2,0,0,0,0|2,0,0]=4 19576 B17R2.5365 Clc1ccc(cc1CSc2cccnc2)I 62a_100000210063_100010188191 [0,2,0,0,0,0|2,0,0]=4 19577 B17R2.5365 Clc1ccc(cc1CSc2cccnc2)I 62a_100010188191_100000210063 [0,2,0,0,0,0|2,0,0]=4 19578 B17R2.5365 Clc1ccc(cc1NCc2ccccc2)Br 270302a_100000750497_100015611070 [0,2,0,0,0,0|1,0,0]=3 19579 B17R2.5365 Clc1ccc(cc1NCc2ccccc2)Br 34a_100000750497_100015291786 [0,2,0,0,0,0|1,0,0]=3 19580 B17R2.5365 Clc1ccc(cc1NCc2ccccc2)I 270302a_200000761891_100015611070 [0,2,0,0,0,0|1,0,0]=3 19581 B17R2.5365 Clc1ccc(cc1NCc2ccccc2)I 34a_200000761891_100015291786 [0,2,0,0,0,0|1,0,0]=3 19582 B17R2.5365 Clc1ccc(cc1NCc2ccccn2)Br 270302a_100000750497_100000209966 [0,2,0,0,0,0|2,0,0]=4 19583 B17R2.5365 Clc1ccc(cc1NCc2ccccn2)Br 34a_100000750497_100000721315 [0,2,0,0,0,0|2,0,0]=4 19584 B17R2.5365 Clc1ccc(cc1NCc2ccccn2)I 270302a_200000761891_100000209966 [0,2,0,0,0,0|2,0,0]=4 19585 B17R2.5365 Clc1ccc(cc1NCc2ccccn2)I 34a_200000761891_100000721315 [0,2,0,0,0,0|2,0,0]=4 19586 B17R2.5365 Clc1ccc(cc1NCc2cccnc2)Br 270302a_100000750497_100000209961 [0,2,0,0,0,0|0,0,0]=2 19587 B17R2.5365 Clc1ccc(cc1NCc2cccnc2)Br 34a_100000750497_100000733263 [0,2,0,0,0,0|0,0,0]=2 19588 B17R2.5365 Clc1ccc(cc1NCc2cccnc2)I 270302a_200000761891_100000209961 [0,2,0,0,0,0|0,0,0]=2 19589 B17R2.5365 Clc1ccc(cc1NCc2cccnc2)I 34a_200000761891_100000733263 [0,2,0,0,0,0|0,0,0]=2 19590 B17R2.5365 Clc1ccc(cc1NCc2cccnn2)Br 34a_100000750497_100016990269 [0,2,0,0,0,0|1,0,0]=3 19591 B17R2.5365 Clc1ccc(cc1NCc2cccnn2)I 34a_200000761891_100016990269 [0,2,0,0,0,0|1,0,0]=3 19592 B17R2.5365 Clc1ccc(cc1NCc2ccnnc2)Br 270302a_100000750497_100011934578 [0,2,0,0,0,0|1,0,0]=3 19593 B17R2.5365 Clc1ccc(cc1NCc2ccnnc2)I 270302a_200000761891_100011934578 [0,2,0,0,0,0|1,0,0]=3 19594 B17R2.5365 Clc1ccc(cc1NCc2cnccn2)Br 34a_100000750497_100016995436 [0,2,0,0,0,0|1,0,0]=3 19595 B17R2.5365 Clc1ccc(cc1NCc2cnccn2)I 34a_200000761891_100016995436 [0,2,0,0,0,0|1,0,0]=3 19596 B17R2.5365 Clc1ccc(cc1NCc2cncnc2)Br 270302a_100000750497_100000749868 [0,2,0,0,0,0|1,0,0]=3 19597 B17R2.5365 Clc1ccc(cc1NCc2cncnc2)Br 34a_100000750497_100015196519 [0,2,0,0,0,0|1,0,0]=3 19598 B17R2.5365 Clc1ccc(cc1NCc2cncnc2)I 270302a_200000761891_100000749868 [0,2,0,0,0,0|1,0,0]=3 19599 B17R2.5365 Clc1ccc(cc1NCc2cncnc2)I 34a_200000761891_100015196519 [0,2,0,0,0,0|1,0,0]=3 19600 B17R2.5365 Clc1ccc(cc1OCc2ccccc2)Br 34a_100000738945_100015291786 [0,2,0,0,0,0|2,0,0]=4 19601 B17R2.5365 Clc1ccc(cc1OCc2ccccc2)Br 7a_100000738945_100000211182 [0,2,0,0,0,0|2,0,0]=4 19602 B17R2.5365 Clc1ccc(cc1OCc2ccccc2)I 34a_100011356854_100015291786 [0,2,0,0,0,0|2,0,0]=4 19603 B17R2.5365 Clc1ccc(cc1OCc2ccccc2)I 7a_100011356854_100000211182 [0,2,0,0,0,0|2,0,0]=4 19604 B17R2.5365 Clc1ccc(cc1OCc2cccnc2)Br 34a_100000738945_100000733263 [0,2,0,0,0,0|1,0,0]=3 19605 B17R2.5365 Clc1ccc(cc1OCc2cccnc2)Br 7a_100000738945_100000741622 [0,2,0,0,0,0|1,0,0]=3 19606 B17R2.5365 Clc1ccc(cc1OCc2cccnc2)I 34a_100011356854_100000733263 [0,2,0,0,0,0|1,0,0]=3 19607 B17R2.5365 Clc1ccc(cc1OCc2cccnc2)I 7a_100011356854_100000741622 [0,2,0,0,0,0|1,0,0]=3 19608 B17R2.5365 Clc1ccc(cc1OCc2cccnn2)Br 34a_100000738945_100016990269 [0,2,0,0,0,0|2,0,0]=4 19609 B17R2.5365 Clc1ccc(cc1OCc2cccnn2)Br 7a_100000738945_100016990269 [0,2,0,0,0,0|2,0,0]=4 19610 B17R2.5365 Clc1ccc(cc1OCc2cccnn2)I 34a_100011356854_100016990269 [0,2,0,0,0,0|2,0,0]=4 19611 B17R2.5365 Clc1ccc(cc1OCc2cccnn2)I 7a_100011356854_100016990269 [0,2,0,0,0,0|2,0,0]=4 19612 B17R2.5365 Clc1ccc(cc1OCc2cnccn2)Br 34a_100000738945_100016995436 [0,2,0,0,0,0|2,0,0]=4 19613 B17R2.5365 Clc1ccc(cc1OCc2cnccn2)Br 7a_100000738945_100016995436 [0,2,0,0,0,0|2,0,0]=4 19614 B17R2.5365 Clc1ccc(cc1OCc2cnccn2)I 34a_100011356854_100016995436 [0,2,0,0,0,0|2,0,0]=4 19615 B17R2.5365 Clc1ccc(cc1OCc2cnccn2)I 7a_100011356854_100016995436 [0,2,0,0,0,0|2,0,0]=4 19616 B17R2.5365 Clc1ccc(cc1OCc2cncnc2)Br 34a_100000738945_100015196519 [0,2,0,0,0,0|2,0,0]=4 19617 B17R2.5365 Clc1ccc(cc1OCc2cncnc2)Br 7a_100000738945_100015196519 [0,2,0,0,0,0|2,0,0]=4 19618 B17R2.5365 Clc1ccc(cc1OCc2cncnc2)I 34a_100011356854_100015196519 [0,2,0,0,0,0|2,0,0]=4 19619 B17R2.5365 Clc1ccc(cc1OCc2cncnc2)I 7a_100011356854_100015196519 [0,2,0,0,0,0|2,0,0]=4 19620 B17R2.5365 Clc1ccc(cc1SCc2ccccc2)Br 62a_100000211182_100011772130 [0,2,0,0,0,0|2,0,0]=4 19621 B17R2.5365 Clc1ccc(cc1SCc2ccccc2)Br 62a_100011772130_100015291786 [0,2,0,0,0,0|2,0,0]=4 19622 B17R2.5365 Clc1ccc(cc1SCc2cccnc2)Br 62a_100000741622_100011772130 [0,2,0,0,0,0|1,0,0]=3 19623 B17R2.5365 Clc1ccc(cc1SCc2cccnc2)Br 62a_100011772130_100000741622 [0,2,0,0,0,0|1,0,0]=3 19624 B17R2.5365 Clc1ccc(cc1SCc2cccnn2)Br 62a_100011772130_100016990269 [0,2,0,0,0,0|2,0,0]=4 19625 B17R2.5365 Clc1ccc(cc1SCc2cccnn2)Br 62a_100016990269_100011772130 [0,2,0,0,0,0|2,0,0]=4 19626 B17R2.5365 Clc1ccc(cc1SCc2cnccn2)Br 62a_100011772130_100016995436 [0,2,0,0,0,0|2,0,0]=4 19627 B17R2.5365 Clc1ccc(cc1SCc2cnccn2)Br 62a_100016995436_100011772130 [0,2,0,0,0,0|2,0,0]=4 19628 B17R2.5365 Clc1ccc(cc1SCc2cncnc2)Br 62a_100011772130_100015196519 [0,2,0,0,0,0|2,0,0]=4 19629 B17R2.5365 Clc1ccc(cc1SCc2cncnc2)Br 62a_100015196519_100011772130 [0,2,0,0,0,0|2,0,0]=4 19630 B17R2.5365 Clc1cnc(c(c1)C#Cc2ccccc2)Cl 271570a_100000069678_200000062399 [0,2,0,0,0,0|1,0,1]=4 19631 B17R2.5365 Clc1cnc(c(c1)C=Cc2ccccc2)Cl 271570a_100102527694_200000062399 [0,2,0,0,0,0|1,0,1]=4 19632 B17R2.5365 Clc1cnc(c(c1)CNc2ccccc2)Cl 207a_100000106764_100000086932 [0,2,0,0,0,0|0,0,0]=2 19633 B17R2.5365 Clc1cnc(c(c1)OCc2ccccc2)Br 34a_100000697010_100015291786 [0,2,0,0,0,0|2,0,0]=4 19634 B17R2.5365 Clc1cnc(c(c1)OCc2ccccc2)Br 7a_100000697010_100000211182 [0,2,0,0,0,0|2,0,0]=4 19635 B17R2.5365 Clc1cnc(c(c1)OCc2ccccc2)I 34a_100010233512_100015291786 [0,2,0,0,0,0|2,0,0]=4 19636 B17R2.5365 Clc1cnc(c(c1)OCc2ccccc2)I 7a_100010233512_100000211182 [0,2,0,0,0,0|2,0,0]=4 19637 B17R2.5365 Clc1cnc(c(c1)OCc2cccnc2)Br 34a_100000697010_100000733263 [0,2,0,0,0,0|2,0,0]=4 19638 B17R2.5365 Clc1cnc(c(c1)OCc2cccnc2)Br 7a_100000697010_100000741622 [0,2,0,0,0,0|2,0,0]=4 19639 B17R2.5365 Clc1cnc(c(c1)OCc2cccnc2)I 34a_100010233512_100000733263 [0,2,0,0,0,0|2,0,0]=4 19640 B17R2.5365 Clc1cnc(c(c1)OCc2cccnc2)I 7a_100010233512_100000741622 [0,2,0,0,0,0|2,0,0]=4 19641 B17R2.5365 Clc1cnc(c(c1)SCc2ccccc2)Cl 62a_100000211182_200000062399 [0,2,0,0,0,0|2,0,0]=4 19642 B17R2.5365 Clc1cnc(c(c1)SCc2ccccc2)Cl 62a_200000062399_100015291786 [0,2,0,0,0,0|2,0,0]=4 19643 B17R2.5365 Clc1cnc(c(c1)SCc2cccnc2)Cl 62a_100000741622_200000062399 [0,2,0,0,0,0|2,0,0]=4 19644 B17R2.5365 Clc1cnc(c(c1)SCc2cccnc2)Cl 62a_200000062399_100000741622 [0,2,0,0,0,0|2,0,0]=4 19645 B17R2.5365 Clc1cnc(cc1OCc2cccnc2)Br 34a_100010173861_100000733263 [0,2,0,0,0,0|2,0,0]=4 19646 B17R2.5365 Clc1cnc(cc1SCc2cccnc2)Br 62a_100000741622_100010223331 [0,2,0,0,0,0|2,0,0]=4 19647 B17R2.5365 Clc1cnc(cc1SCc2cccnc2)Br 62a_100010223331_100000741622 [0,2,0,0,0,0|2,0,0]=4 19648 B17R2.5365 Clc1ncc(cc1C#Cc2ccccc2)Br 271570a_100000069678_100009814771 [0,2,0,0,0,0|1,0,1]=4 19649 B17R2.5365 Clc1ncc(cc1C=Cc2ccccc2)Br 271570a_100102527694_100009814771 [0,2,0,0,0,0|1,0,1]=4 19650 B17R2.5365 Clc1ncc(cc1CNc2ccccc2)Br 207a_100000106764_100009816941 [0,2,0,0,0,0|0,0,0]=2 19651 B17R2.5365 Clc1ncc(cc1CNc2ccccc2)Br 34a_100000106764_100009816982 [0,2,0,0,0,0|0,0,0]=2 19652 B17R2.5365 Clc1ncc(cc1COc2ccccc2)Br 34a_100000210340_100009816982 [0,2,0,0,0,0|1,0,0]=3 19653 B17R2.5365 Clc1ncc(cc1COc2ccccc2)Br 7a_100000210340_100009816982 [0,2,0,0,0,0|1,0,0]=3 19654 B17R2.5365 Clc1ncc(cc1COc2cccnc2)Br 34a_100000210849_100009816982 [0,2,0,0,0,0|2,0,0]=4 19655 B17R2.5365 Clc1ncc(cc1COc2cccnc2)Br 7a_100000210849_100009816982 [0,2,0,0,0,0|2,0,0]=4 19656 B17R2.5365 Clc1ncc(cc1COc2ccncc2)Br 34a_100000212176_100009816982 [0,2,0,0,0,0|2,0,0]=4 19657 B17R2.5365 Clc1ncc(cc1CSc2ccccc2)Br 62a_100000719477_100009816982 [0,2,0,0,0,0|1,0,0]=3 19658 B17R2.5365 Clc1ncc(cc1CSc2ccccc2)Br 62a_100009816982_100000041952 [0,2,0,0,0,0|1,0,0]=3 19659 B17R2.5365 Clc1ncc(cc1CSc2ccccn2)Br 62a_100009816982_100011216584 [0,2,0,0,0,0|2,0,0]=4 19660 B17R2.5365 Clc1ncc(cc1CSc2ccccn2)Br 62a_100011216584_100009816982 [0,2,0,0,0,0|2,0,0]=4 19661 B17R2.5365 Clc1ncc(cc1CSc2cccnc2)Br 62a_100000210063_100009816982 [0,2,0,0,0,0|2,0,0]=4 19662 B17R2.5365 Clc1ncc(cc1CSc2cccnc2)Br 62a_100009816982_100000210063 [0,2,0,0,0,0|2,0,0]=4 19663 B17R2.5365 Clc1ncc(cc1CSc2ccncc2)Br 62a_100000728582_100009816982 [0,2,0,0,0,0|2,0,0]=4 19664 B17R2.5365 Clc1ncc(cc1CSc2ccncc2)Br 62a_100009816982_100000728582 [0,2,0,0,0,0|2,0,0]=4 19665 B17R2.5365 Clc1ncc(cc1OCc2ccccc2)Br 34a_100012354860_100015291786 [0,2,0,0,0,0|2,0,0]=4 19666 B17R2.5365 Clc1ncc(cc1OCc2ccccc2)Br 7a_100012354860_100000211182 [0,2,0,0,0,0|2,0,0]=4 19667 B17R2.5365 Clc1ncc(cc1OCc2cccnc2)Br 34a_100012354860_100000733263 [0,2,0,0,0,0|2,0,0]=4 19668 B17R2.5365 Clc1ncc(cc1OCc2cccnc2)Br 7a_100012354860_100000741622 [0,2,0,0,0,0|2,0,0]=4 19669 B17R2.5365 Clc1ncc(cc1SCc2ccccc2)Br 62a_100000211182_100009814771 [0,2,0,0,0,0|2,0,0]=4 19670 B17R2.5365 Clc1ncc(cc1SCc2ccccc2)Br 62a_100009814771_100015291786 [0,2,0,0,0,0|2,0,0]=4 19671 B17R2.5365 Clc1ncc(cc1SCc2cccnc2)Br 62a_100000741622_100009814771 [0,2,0,0,0,0|2,0,0]=4 19672 B17R2.5365 Clc1ncc(cc1SCc2cccnc2)Br 62a_100009814771_100000741622 [0,2,0,0,0,0|2,0,0]=4 19673 B17R2.5365 Cn1ccc(=O)c(c1)SCc2cccnc2 62a_100000741622_100010750718 [0,2,0,0,0,0|2,0,0]=4 19674 B17R2.5365 Cn1ccc(=O)c(c1)SCc2cccnc2 62a_100010750718_100000741622 [0,2,0,0,0,0|2,0,0]=4 19675 B17R2.5365 Fc1cc(c(cn1)Cl)NCc2ccccc2 27a_100015324214_100009892587 [0,2,0,0,0,0|2,0,0]=4 19676 B17R2.5365 Fc1cc(c(cn1)Cl)NCc2cccnc2 27a_100000210453_100009892587 [0,2,0,0,0,0|1,0,0]=3 19677 B17R2.5365 Fc1cc(c(cn1)Cl)NCc2cccnn2 27a_100159270163_100009892587 [0,2,0,0,0,0|2,0,0]=4 19678 B17R2.5365 Fc1cc(c(cn1)Cl)NCc2cnccn2 27a_100000737960_100009892587 [0,2,0,0,0,0|2,0,0]=4 19679 B17R2.5365 Fc1cc(c(cn1)Cl)NCc2cncnc2 27a_100011243677_100009892587 [0,2,0,0,0,0|2,0,0]=4 19680 B17R2.5365 Fc1cc(c(cn1)Cl)SCc2cccnc2 62a_100000741622_100009892587 [0,2,0,0,0,0|2,0,0]=4 19681 B17R2.5365 Fc1cc(c(cn1)Cl)SCc2cccnc2 62a_100009892587_100000741622 [0,2,0,0,0,0|2,0,0]=4 19682 B17R2.5365 Fc1cc(c(cn1)F)NCc2ccccc2 27a_100015324214_100010233071 [0,2,0,0,0,0|2,0,0]=4 19683 B17R2.5365 Fc1cc(c(cn1)F)NCc2cccnc2 27a_100000210453_100010233071 [0,2,0,0,0,0|1,0,0]=3 19684 B17R2.5365 Fc1cc(c(cn1)F)NCc2cccnn2 27a_100159270163_100010233071 [0,2,0,0,0,0|2,0,0]=4 19685 B17R2.5365 Fc1cc(c(cn1)F)NCc2cnccn2 27a_100000737960_100010233071 [0,2,0,0,0,0|2,0,0]=4 19686 B17R2.5365 Fc1cc(c(cn1)F)NCc2cncnc2 27a_100011243677_100010233071 [0,2,0,0,0,0|2,0,0]=4 19687 B17R2.5365 Fc1cc(c(cn1)F)SCc2cccnc2 62a_100000741622_100010233071 [0,2,0,0,0,0|2,0,0]=4 19688 B17R2.5365 Fc1cc(c(cn1)F)SCc2cccnc2 62a_100010233071_100000741622 [0,2,0,0,0,0|2,0,0]=4 19689 B17R2.5365 Fc1ccc(c(c1)C=Cc2cccnc2)Br 271570a_100102525586_100011217576 [0,2,0,0,0,0|1,0,1]=4 19690 B17R2.5365 Fc1ccc(c(c1)C=Cc2cccnc2)Cl 271570a_100102525586_100011217299 [0,2,0,0,0,0|1,0,1]=4 19691 B17R2.5365 Fc1ccc(c(c1)C=Cc2cccnc2)F 271570a_100102525586_100000750033 [0,2,0,0,0,0|1,0,1]=4 19692 B17R2.5365 Fc1ccc(c(c1)CNc2ccccc2)Br 207a_100000106764_100000766564 [0,2,0,0,0,0|1,0,0]=3 19693 B17R2.5365 Fc1ccc(c(c1)CNc2ccccc2)Br 34a_100000106764_100000736370 [0,2,0,0,0,0|1,0,0]=3 19694 B17R2.5365 Fc1ccc(c(c1)CNc2ccccc2)Cl 207a_100000106764_100011218309 [0,2,0,0,0,0|1,0,0]=3 19695 B17R2.5365 Fc1ccc(c(c1)CNc2ccccc2)Cl 270302a_100000106764_100011218309 [0,2,0,0,0,0|1,0,0]=3 19696 B17R2.5365 Fc1ccc(c(c1)CNc2ccccc2)Cl 34a_100000106764_100000709952 [0,2,0,0,0,0|1,0,0]=3 19697 B17R2.5365 Fc1ccc(c(c1)CNc2ccccc2)F 207a_100000106764_100000740046 [0,2,0,0,0,0|1,0,0]=3 19698 B17R2.5365 Fc1ccc(c(c1)CNc2ccccc2)F 34a_100000106764_100000741279 [0,2,0,0,0,0|1,0,0]=3 19699 B17R2.5365 Fc1ccc(c(c1)CNc2ccccc2)I 207a_100000106764_100010186294 [0,2,0,0,0,0|1,0,0]=3 19700 B17R2.5365 Fc1ccc(c(c1)CNc2ccccc2)I 34a_100000106764_100010149606 [0,2,0,0,0,0|1,0,0]=3 19701 B17R2.5365 Fc1ccc(c(c1)COc2ccccc2)Br 34a_100000210340_100000736370 [0,2,0,0,0,0|2,0,0]=4 19702 B17R2.5365 Fc1ccc(c(c1)COc2ccccc2)Br 7a_100000210340_100000736370 [0,2,0,0,0,0|2,0,0]=4 19703 B17R2.5365 Fc1ccc(c(c1)COc2ccccc2)Cl 34a_100000210340_100000709952 [0,2,0,0,0,0|2,0,0]=4 19704 B17R2.5365 Fc1ccc(c(c1)COc2ccccc2)Cl 7a_100000210340_100000709952 [0,2,0,0,0,0|2,0,0]=4 19705 B17R2.5365 Fc1ccc(c(c1)COc2ccccc2)F 34a_100000210340_100000741279 [0,2,0,0,0,0|2,0,0]=4 19706 B17R2.5365 Fc1ccc(c(c1)COc2ccccc2)F 7a_100000210340_100000741279 [0,2,0,0,0,0|2,0,0]=4 19707 B17R2.5365 Fc1ccc(c(c1)COc2ccccc2)I 34a_100000210340_100010149606 [0,2,0,0,0,0|2,0,0]=4 19708 B17R2.5365 Fc1ccc(c(c1)COc2ccccc2)I 7a_100000210340_100010149606 [0,2,0,0,0,0|2,0,0]=4 19709 B17R2.5365 Fc1ccc(c(c1)COc2cccnc2)Br 34a_100000210849_100000736370 [0,2,0,0,0,0|2,0,0]=4 19710 B17R2.5365 Fc1ccc(c(c1)COc2cccnc2)Br 7a_100000210849_100000736370 [0,2,0,0,0,0|2,0,0]=4 19711 B17R2.5365 Fc1ccc(c(c1)COc2cccnc2)Cl 34a_100000210849_100000709952 [0,2,0,0,0,0|2,0,0]=4 19712 B17R2.5365 Fc1ccc(c(c1)COc2cccnc2)Cl 7a_100000210849_100000709952 [0,2,0,0,0,0|2,0,0]=4 19713 B17R2.5365 Fc1ccc(c(c1)COc2cccnc2)F 34a_100000210849_100000741279 [0,2,0,0,0,0|2,0,0]=4 19714 B17R2.5365 Fc1ccc(c(c1)COc2cccnc2)F 7a_100000210849_100000741279 [0,2,0,0,0,0|2,0,0]=4 19715 B17R2.5365 Fc1ccc(c(c1)COc2cccnc2)I 34a_100000210849_100010149606 [0,2,0,0,0,0|2,0,0]=4 19716 B17R2.5365 Fc1ccc(c(c1)COc2cccnc2)I 7a_100000210849_100010149606 [0,2,0,0,0,0|2,0,0]=4 19717 B17R2.5365 Fc1ccc(c(c1)CSc2ccccc2)Br 62a_100000719477_100000736370 [0,2,0,0,0,0|2,0,0]=4 19718 B17R2.5365 Fc1ccc(c(c1)CSc2ccccc2)Br 62a_100000736370_100000041952 [0,2,0,0,0,0|2,0,0]=4 19719 B17R2.5365 Fc1ccc(c(c1)CSc2ccccc2)Cl 62a_100000709952_100000041952 [0,2,0,0,0,0|2,0,0]=4 19720 B17R2.5365 Fc1ccc(c(c1)CSc2ccccc2)Cl 62a_100000719477_100000709952 [0,2,0,0,0,0|2,0,0]=4 19721 B17R2.5365 Fc1ccc(c(c1)CSc2ccccc2)F 62a_100000685659_100000041952 [0,2,0,0,0,0|2,0,0]=4 19722 B17R2.5365 Fc1ccc(c(c1)CSc2ccccc2)F 62a_100000719477_100000685659 [0,2,0,0,0,0|2,0,0]=4 19723 B17R2.5365 Fc1ccc(c(c1)CSc2ccccc2)I 62a_100000719477_100010149606 [0,2,0,0,0,0|2,0,0]=4 19724 B17R2.5365 Fc1ccc(c(c1)CSc2ccccc2)I 62a_100010149606_100000041952 [0,2,0,0,0,0|2,0,0]=4 19725 B17R2.5365 Fc1ccc(c(c1)CSc2cccnc2)Br 62a_100000210063_100000736370 [0,2,0,0,0,0|2,0,0]=4 19726 B17R2.5365 Fc1ccc(c(c1)CSc2cccnc2)Br 62a_100000736370_100000210063 [0,2,0,0,0,0|2,0,0]=4 19727 B17R2.5365 Fc1ccc(c(c1)CSc2cccnc2)Cl 62a_100000210063_100000709952 [0,2,0,0,0,0|2,0,0]=4 19728 B17R2.5365 Fc1ccc(c(c1)CSc2cccnc2)Cl 62a_100000709952_100000210063 [0,2,0,0,0,0|2,0,0]=4 19729 B17R2.5365 Fc1ccc(c(c1)CSc2cccnc2)F 62a_100000210063_100000685659 [0,2,0,0,0,0|2,0,0]=4 19730 B17R2.5365 Fc1ccc(c(c1)CSc2cccnc2)F 62a_100000685659_100000210063 [0,2,0,0,0,0|2,0,0]=4 19731 B17R2.5365 Fc1ccc(c(c1)CSc2cccnc2)I 62a_100000210063_100010149606 [0,2,0,0,0,0|2,0,0]=4 19732 B17R2.5365 Fc1ccc(c(c1)CSc2cccnc2)I 62a_100010149606_100000210063 [0,2,0,0,0,0|2,0,0]=4 19733 B17R2.5365 Fc1ccc(c(c1)NCc2ccccc2)Br 270302a_100000687223_100015611070 [0,2,0,0,0,0|1,0,0]=3 19734 B17R2.5365 Fc1ccc(c(c1)NCc2ccccc2)Br 34a_100000687223_100015291786 [0,2,0,0,0,0|1,0,0]=3 19735 B17R2.5365 Fc1ccc(c(c1)NCc2ccccc2)Cl 270302a_100000751338_100015611070 [0,2,0,0,0,0|1,0,0]=3 19736 B17R2.5365 Fc1ccc(c(c1)NCc2ccccc2)Cl 34a_100000751338_100015291786 [0,2,0,0,0,0|1,0,0]=3 19737 B17R2.5365 Fc1ccc(c(c1)NCc2ccccc2)F 207a_100000210742_100015611070 [0,2,0,0,0,0|1,0,0]=3 19738 B17R2.5365 Fc1ccc(c(c1)NCc2ccccc2)F 270302a_100000210742_100015611070 [0,2,0,0,0,0|1,0,0]=3 19739 B17R2.5365 Fc1ccc(c(c1)NCc2ccccc2)F 34a_100000210742_100015291786 [0,2,0,0,0,0|1,0,0]=3 19740 B17R2.5365 Fc1ccc(c(c1)NCc2ccccc2)I 34a_100011218093_100015291786 [0,2,0,0,0,0|1,0,0]=3 19741 B17R2.5365 Fc1ccc(c(c1)NCc2ccccn2)Br 270302a_100000687223_100000209966 [0,2,0,0,0,0|2,0,0]=4 19742 B17R2.5365 Fc1ccc(c(c1)NCc2ccccn2)Br 34a_100000687223_100000721315 [0,2,0,0,0,0|2,0,0]=4 19743 B17R2.5365 Fc1ccc(c(c1)NCc2ccccn2)Cl 270302a_100000751338_100000209966 [0,2,0,0,0,0|2,0,0]=4 19744 B17R2.5365 Fc1ccc(c(c1)NCc2ccccn2)Cl 34a_100000751338_100000721315 [0,2,0,0,0,0|2,0,0]=4 19745 B17R2.5365 Fc1ccc(c(c1)NCc2ccccn2)F 207a_100000210742_100000209966 [0,2,0,0,0,0|2,0,0]=4 19746 B17R2.5365 Fc1ccc(c(c1)NCc2ccccn2)F 270302a_100000210742_100000209966 [0,2,0,0,0,0|2,0,0]=4 19747 B17R2.5365 Fc1ccc(c(c1)NCc2ccccn2)F 34a_100000210742_100000721315 [0,2,0,0,0,0|2,0,0]=4 19748 B17R2.5365 Fc1ccc(c(c1)NCc2ccccn2)I 34a_100011218093_100000721315 [0,2,0,0,0,0|2,0,0]=4 19749 B17R2.5365 Fc1ccc(c(c1)NCc2cccnc2)Br 270302a_100000687223_100000209961 [0,2,0,0,0,0|0,0,0]=2 19750 B17R2.5365 Fc1ccc(c(c1)NCc2cccnc2)Br 34a_100000687223_100000733263 [0,2,0,0,0,0|0,0,0]=2 19751 B17R2.5365 Fc1ccc(c(c1)NCc2cccnc2)Cl 270302a_100000751338_100000209961 [0,2,0,0,0,0|0,0,0]=2 19752 B17R2.5365 Fc1ccc(c(c1)NCc2cccnc2)Cl 34a_100000751338_100000733263 [0,2,0,0,0,0|0,0,0]=2 19753 B17R2.5365 Fc1ccc(c(c1)NCc2cccnc2)F 207a_100000210742_100000209961 [0,2,0,0,0,0|0,0,0]=2 19754 B17R2.5365 Fc1ccc(c(c1)NCc2cccnc2)F 270302a_100000210742_100000209961 [0,2,0,0,0,0|0,0,0]=2 19755 B17R2.5365 Fc1ccc(c(c1)NCc2cccnc2)F 34a_100000210742_100000733263 [0,2,0,0,0,0|0,0,0]=2 19756 B17R2.5365 Fc1ccc(c(c1)NCc2cccnc2)I 34a_100011218093_100000733263 [0,2,0,0,0,0|0,0,0]=2 19757 B17R2.5365 Fc1ccc(c(c1)NCc2cccnn2)Br 34a_100000687223_100016990269 [0,2,0,0,0,0|1,0,0]=3 19758 B17R2.5365 Fc1ccc(c(c1)NCc2cccnn2)Cl 34a_100000751338_100016990269 [0,2,0,0,0,0|1,0,0]=3 19759 B17R2.5365 Fc1ccc(c(c1)NCc2cccnn2)F 34a_100000210742_100016990269 [0,2,0,0,0,0|1,0,0]=3 19760 B17R2.5365 Fc1ccc(c(c1)NCc2cccnn2)I 34a_100011218093_100016990269 [0,2,0,0,0,0|1,0,0]=3 19761 B17R2.5365 Fc1ccc(c(c1)NCc2ccncc2)F 207a_100000210742_100000186114 [0,2,0,0,0,0|2,0,0]=4 19762 B17R2.5365 Fc1ccc(c(c1)NCc2ccnnc2)Br 270302a_100000687223_100011934578 [0,2,0,0,0,0|1,0,0]=3 19763 B17R2.5365 Fc1ccc(c(c1)NCc2ccnnc2)Cl 270302a_100000751338_100011934578 [0,2,0,0,0,0|1,0,0]=3 19764 B17R2.5365 Fc1ccc(c(c1)NCc2ccnnc2)F 270302a_100000210742_100011934578 [0,2,0,0,0,0|1,0,0]=3 19765 B17R2.5365 Fc1ccc(c(c1)NCc2cnccn2)Br 34a_100000687223_100016995436 [0,2,0,0,0,0|1,0,0]=3 19766 B17R2.5365 Fc1ccc(c(c1)NCc2cnccn2)Cl 34a_100000751338_100016995436 [0,2,0,0,0,0|1,0,0]=3 19767 B17R2.5365 Fc1ccc(c(c1)NCc2cnccn2)F 34a_100000210742_100016995436 [0,2,0,0,0,0|1,0,0]=3 19768 B17R2.5365 Fc1ccc(c(c1)NCc2cnccn2)I 34a_100011218093_100016995436 [0,2,0,0,0,0|1,0,0]=3 19769 B17R2.5365 Fc1ccc(c(c1)NCc2cncnc2)Br 270302a_100000687223_100000749868 [0,2,0,0,0,0|1,0,0]=3 19770 B17R2.5365 Fc1ccc(c(c1)NCc2cncnc2)Br 34a_100000687223_100015196519 [0,2,0,0,0,0|1,0,0]=3 19771 B17R2.5365 Fc1ccc(c(c1)NCc2cncnc2)Cl 270302a_100000751338_100000749868 [0,2,0,0,0,0|1,0,0]=3 19772 B17R2.5365 Fc1ccc(c(c1)NCc2cncnc2)Cl 34a_100000751338_100015196519 [0,2,0,0,0,0|1,0,0]=3 19773 B17R2.5365 Fc1ccc(c(c1)NCc2cncnc2)F 270302a_100000210742_100000749868 [0,2,0,0,0,0|1,0,0]=3 19774 B17R2.5365 Fc1ccc(c(c1)NCc2cncnc2)F 34a_100000210742_100015196519 [0,2,0,0,0,0|1,0,0]=3 19775 B17R2.5365 Fc1ccc(c(c1)NCc2cncnc2)I 34a_100011218093_100015196519 [0,2,0,0,0,0|1,0,0]=3 19776 B17R2.5365 Fc1ccc(c(c1)OCc2ccccc2)Br 34a_100000690578_100015291786 [0,2,0,0,0,0|2,0,0]=4 19777 B17R2.5365 Fc1ccc(c(c1)OCc2ccccc2)Br 7a_100000690578_100000211182 [0,2,0,0,0,0|2,0,0]=4 19778 B17R2.5365 Fc1ccc(c(c1)OCc2ccccc2)Cl 34a_100000692107_100015291786 [0,2,0,0,0,0|2,0,0]=4 19779 B17R2.5365 Fc1ccc(c(c1)OCc2ccccc2)Cl 7a_100000692107_100000211182 [0,2,0,0,0,0|2,0,0]=4 19780 B17R2.5365 Fc1ccc(c(c1)OCc2ccccc2)F 34a_100000752141_100015291786 [0,2,0,0,0,0|2,0,0]=4 19781 B17R2.5365 Fc1ccc(c(c1)OCc2ccccc2)F 7a_100000752141_100000211182 [0,2,0,0,0,0|2,0,0]=4 19782 B17R2.5365 Fc1ccc(c(c1)OCc2ccccc2)I 34a_100010084537_100015291786 [0,2,0,0,0,0|2,0,0]=4 19783 B17R2.5365 Fc1ccc(c(c1)OCc2ccccc2)I 7a_100010084537_100000211182 [0,2,0,0,0,0|2,0,0]=4 19784 B17R2.5365 Fc1ccc(c(c1)OCc2cccnc2)Br 34a_100000690578_100000733263 [0,2,0,0,0,0|1,0,0]=3 19785 B17R2.5365 Fc1ccc(c(c1)OCc2cccnc2)Br 7a_100000690578_100000741622 [0,2,0,0,0,0|1,0,0]=3 19786 B17R2.5365 Fc1ccc(c(c1)OCc2cccnc2)Cl 34a_100000692107_100000733263 [0,2,0,0,0,0|1,0,0]=3 19787 B17R2.5365 Fc1ccc(c(c1)OCc2cccnc2)Cl 7a_100000692107_100000741622 [0,2,0,0,0,0|1,0,0]=3 19788 B17R2.5365 Fc1ccc(c(c1)OCc2cccnc2)F 34a_100000752141_100000733263 [0,2,0,0,0,0|1,0,0]=3 19789 B17R2.5365 Fc1ccc(c(c1)OCc2cccnc2)F 7a_100000752141_100000741622 [0,2,0,0,0,0|1,0,0]=3 19790 B17R2.5365 Fc1ccc(c(c1)OCc2cccnc2)I 34a_100010084537_100000733263 [0,2,0,0,0,0|1,0,0]=3 19791 B17R2.5365 Fc1ccc(c(c1)OCc2cccnc2)I 7a_100010084537_100000741622 [0,2,0,0,0,0|1,0,0]=3 19792 B17R2.5365 Fc1ccc(c(c1)OCc2cccnn2)Br 34a_100000690578_100016990269 [0,2,0,0,0,0|2,0,0]=4 19793 B17R2.5365 Fc1ccc(c(c1)OCc2cccnn2)Br 7a_100000690578_100016990269 [0,2,0,0,0,0|2,0,0]=4 19794 B17R2.5365 Fc1ccc(c(c1)OCc2cccnn2)Cl 34a_100000692107_100016990269 [0,2,0,0,0,0|2,0,0]=4 19795 B17R2.5365 Fc1ccc(c(c1)OCc2cccnn2)Cl 7a_100000692107_100016990269 [0,2,0,0,0,0|2,0,0]=4 19796 B17R2.5365 Fc1ccc(c(c1)OCc2cccnn2)F 34a_100000752141_100016990269 [0,2,0,0,0,0|2,0,0]=4 19797 B17R2.5365 Fc1ccc(c(c1)OCc2cccnn2)F 7a_100000752141_100016990269 [0,2,0,0,0,0|2,0,0]=4 19798 B17R2.5365 Fc1ccc(c(c1)OCc2cccnn2)I 34a_100010084537_100016990269 [0,2,0,0,0,0|2,0,0]=4 19799 B17R2.5365 Fc1ccc(c(c1)OCc2cccnn2)I 7a_100010084537_100016990269 [0,2,0,0,0,0|2,0,0]=4 19800 B17R2.5365 Fc1ccc(c(c1)OCc2cnccn2)Br 34a_100000690578_100016995436 [0,2,0,0,0,0|2,0,0]=4 19801 B17R2.5365 Fc1ccc(c(c1)OCc2cnccn2)Br 7a_100000690578_100016995436 [0,2,0,0,0,0|2,0,0]=4 19802 B17R2.5365 Fc1ccc(c(c1)OCc2cnccn2)Cl 34a_100000692107_100016995436 [0,2,0,0,0,0|2,0,0]=4 19803 B17R2.5365 Fc1ccc(c(c1)OCc2cnccn2)Cl 7a_100000692107_100016995436 [0,2,0,0,0,0|2,0,0]=4 19804 B17R2.5365 Fc1ccc(c(c1)OCc2cnccn2)F 34a_100000752141_100016995436 [0,2,0,0,0,0|2,0,0]=4 19805 B17R2.5365 Fc1ccc(c(c1)OCc2cnccn2)F 7a_100000752141_100016995436 [0,2,0,0,0,0|2,0,0]=4 19806 B17R2.5365 Fc1ccc(c(c1)OCc2cnccn2)I 34a_100010084537_100016995436 [0,2,0,0,0,0|2,0,0]=4 19807 B17R2.5365 Fc1ccc(c(c1)OCc2cnccn2)I 7a_100010084537_100016995436 [0,2,0,0,0,0|2,0,0]=4 19808 B17R2.5365 Fc1ccc(c(c1)OCc2cncnc2)Br 34a_100000690578_100015196519 [0,2,0,0,0,0|2,0,0]=4 19809 B17R2.5365 Fc1ccc(c(c1)OCc2cncnc2)Br 7a_100000690578_100015196519 [0,2,0,0,0,0|2,0,0]=4 19810 B17R2.5365 Fc1ccc(c(c1)OCc2cncnc2)Cl 34a_100000692107_100015196519 [0,2,0,0,0,0|2,0,0]=4 19811 B17R2.5365 Fc1ccc(c(c1)OCc2cncnc2)Cl 7a_100000692107_100015196519 [0,2,0,0,0,0|2,0,0]=4 19812 B17R2.5365 Fc1ccc(c(c1)OCc2cncnc2)F 34a_100000752141_100015196519 [0,2,0,0,0,0|2,0,0]=4 19813 B17R2.5365 Fc1ccc(c(c1)OCc2cncnc2)F 7a_100000752141_100015196519 [0,2,0,0,0,0|2,0,0]=4 19814 B17R2.5365 Fc1ccc(c(c1)OCc2cncnc2)I 34a_100010084537_100015196519 [0,2,0,0,0,0|2,0,0]=4 19815 B17R2.5365 Fc1ccc(c(c1)OCc2cncnc2)I 7a_100010084537_100015196519 [0,2,0,0,0,0|2,0,0]=4 19816 B17R2.5365 Fc1ccc(c(c1)SCc2ccccc2)Br 62a_100000211182_100011217576 [0,2,0,0,0,0|2,0,0]=4 19817 B17R2.5365 Fc1ccc(c(c1)SCc2ccccc2)Br 62a_100011217576_100015291786 [0,2,0,0,0,0|2,0,0]=4 19818 B17R2.5365 Fc1ccc(c(c1)SCc2ccccc2)Cl 62a_100000211182_100011217299 [0,2,0,0,0,0|2,0,0]=4 19819 B17R2.5365 Fc1ccc(c(c1)SCc2ccccc2)Cl 62a_100011217299_100015291786 [0,2,0,0,0,0|2,0,0]=4 19820 B17R2.5365 Fc1ccc(c(c1)SCc2ccccc2)F 62a_100000211182_100011219198 [0,2,0,0,0,0|2,0,0]=4 19821 B17R2.5365 Fc1ccc(c(c1)SCc2ccccc2)F 62a_100011219198_100015291786 [0,2,0,0,0,0|2,0,0]=4 19822 B17R2.5365 Fc1ccc(c(c1)SCc2cccnc2)Br 62a_100000741622_100011217576 [0,2,0,0,0,0|1,0,0]=3 19823 B17R2.5365 Fc1ccc(c(c1)SCc2cccnc2)Br 62a_100011217576_100000741622 [0,2,0,0,0,0|1,0,0]=3 19824 B17R2.5365 Fc1ccc(c(c1)SCc2cccnc2)Cl 62a_100000741622_100011217299 [0,2,0,0,0,0|1,0,0]=3 19825 B17R2.5365 Fc1ccc(c(c1)SCc2cccnc2)Cl 62a_100011217299_100000741622 [0,2,0,0,0,0|1,0,0]=3 19826 B17R2.5365 Fc1ccc(c(c1)SCc2cccnc2)F 62a_100000741622_100011219198 [0,2,0,0,0,0|1,0,0]=3 19827 B17R2.5365 Fc1ccc(c(c1)SCc2cccnc2)F 62a_100011219198_100000741622 [0,2,0,0,0,0|1,0,0]=3 19828 B17R2.5365 Fc1ccc(c(c1)SCc2cccnn2)Br 62a_100011217576_100016990269 [0,2,0,0,0,0|2,0,0]=4 19829 B17R2.5365 Fc1ccc(c(c1)SCc2cccnn2)Br 62a_100016990269_100011217576 [0,2,0,0,0,0|2,0,0]=4 19830 B17R2.5365 Fc1ccc(c(c1)SCc2cccnn2)Cl 62a_100011217299_100016990269 [0,2,0,0,0,0|2,0,0]=4 19831 B17R2.5365 Fc1ccc(c(c1)SCc2cccnn2)Cl 62a_100016990269_100011217299 [0,2,0,0,0,0|2,0,0]=4 19832 B17R2.5365 Fc1ccc(c(c1)SCc2cccnn2)F 62a_100011219198_100016990269 [0,2,0,0,0,0|2,0,0]=4 19833 B17R2.5365 Fc1ccc(c(c1)SCc2cccnn2)F 62a_100016990269_100011219198 [0,2,0,0,0,0|2,0,0]=4 19834 B17R2.5365 Fc1ccc(c(c1)SCc2cnccn2)Br 62a_100011217576_100016995436 [0,2,0,0,0,0|2,0,0]=4 19835 B17R2.5365 Fc1ccc(c(c1)SCc2cnccn2)Br 62a_100016995436_100011217576 [0,2,0,0,0,0|2,0,0]=4 19836 B17R2.5365 Fc1ccc(c(c1)SCc2cnccn2)Cl 62a_100011217299_100016995436 [0,2,0,0,0,0|2,0,0]=4 19837 B17R2.5365 Fc1ccc(c(c1)SCc2cnccn2)Cl 62a_100016995436_100011217299 [0,2,0,0,0,0|2,0,0]=4 19838 B17R2.5365 Fc1ccc(c(c1)SCc2cnccn2)F 62a_100011219198_100016995436 [0,2,0,0,0,0|2,0,0]=4 19839 B17R2.5365 Fc1ccc(c(c1)SCc2cnccn2)F 62a_100016995436_100011219198 [0,2,0,0,0,0|2,0,0]=4 19840 B17R2.5365 Fc1ccc(c(c1)SCc2cncnc2)Br 62a_100011217576_100015196519 [0,2,0,0,0,0|2,0,0]=4 19841 B17R2.5365 Fc1ccc(c(c1)SCc2cncnc2)Br 62a_100015196519_100011217576 [0,2,0,0,0,0|2,0,0]=4 19842 B17R2.5365 Fc1ccc(c(c1)SCc2cncnc2)Cl 62a_100011217299_100015196519 [0,2,0,0,0,0|2,0,0]=4 19843 B17R2.5365 Fc1ccc(c(c1)SCc2cncnc2)Cl 62a_100015196519_100011217299 [0,2,0,0,0,0|2,0,0]=4 19844 B17R2.5365 Fc1ccc(c(c1)SCc2cncnc2)F 62a_100011219198_100015196519 [0,2,0,0,0,0|2,0,0]=4 19845 B17R2.5365 Fc1ccc(c(c1)SCc2cncnc2)F 62a_100015196519_100011219198 [0,2,0,0,0,0|2,0,0]=4 19846 B17R2.5365 Fc1ccc(c(n1)NCc2ccccc2)F 27a_100015324214_100010997973 [0,2,0,0,0,0|2,0,0]=4 19847 B17R2.5365 Fc1ccc(c(n1)NCc2cccnc2)F 27a_100000210453_100010997973 [0,2,0,0,0,0|1,0,0]=3 19848 B17R2.5365 Fc1ccc(c(n1)NCc2cccnn2)F 27a_100159270163_100010997973 [0,2,0,0,0,0|2,0,0]=4 19849 B17R2.5365 Fc1ccc(c(n1)NCc2cnccn2)F 27a_100000737960_100010997973 [0,2,0,0,0,0|2,0,0]=4 19850 B17R2.5365 Fc1ccc(c(n1)NCc2cncnc2)F 27a_100011243677_100010997973 [0,2,0,0,0,0|2,0,0]=4 19851 B17R2.5365 Fc1ccc(c(n1)SCc2cccnc2)F 62a_100000741622_100010997973 [0,2,0,0,0,0|2,0,0]=4 19852 B17R2.5365 Fc1ccc(c(n1)SCc2cccnc2)F 62a_100010997973_100000741622 [0,2,0,0,0,0|2,0,0]=4 19853 B17R2.5365 Fc1ccc(cc1C=Cc2cccnc2)Br 271570a_100102525586_100011217312 [0,2,0,0,0,0|1,0,1]=4 19854 B17R2.5365 Fc1ccc(cc1C=Cc2cccnc2)Cl 271570a_100102525586_100011218116 [0,2,0,0,0,0|1,0,1]=4 19855 B17R2.5365 Fc1ccc(cc1CNc2ccccc2)Br 207a_100000106764_100000211465 [0,2,0,0,0,0|1,0,0]=3 19856 B17R2.5365 Fc1ccc(cc1CNc2ccccc2)Br 34a_100000106764_100000736399 [0,2,0,0,0,0|1,0,0]=3 19857 B17R2.5365 Fc1ccc(cc1CNc2ccccc2)Cl 207a_100000106764_100000745245 [0,2,0,0,0,0|1,0,0]=3 19858 B17R2.5365 Fc1ccc(cc1CNc2ccccc2)Cl 34a_100000106764_100000716957 [0,2,0,0,0,0|1,0,0]=3 19859 B17R2.5365 Fc1ccc(cc1CNc2ccccc2)I 207a_100000106764_100000050626 [0,2,0,0,0,0|1,0,0]=3 19860 B17R2.5365 Fc1ccc(cc1CNc2ccccc2)I 34a_100000106764_200010149601 [0,2,0,0,0,0|1,0,0]=3 19861 B17R2.5365 Fc1ccc(cc1COc2ccccc2)Br 34a_100000210340_100000736399 [0,2,0,0,0,0|2,0,0]=4 19862 B17R2.5365 Fc1ccc(cc1COc2ccccc2)Br 7a_100000210340_100000736399 [0,2,0,0,0,0|2,0,0]=4 19863 B17R2.5365 Fc1ccc(cc1COc2ccccc2)Cl 34a_100000210340_100000716957 [0,2,0,0,0,0|2,0,0]=4 19864 B17R2.5365 Fc1ccc(cc1COc2ccccc2)Cl 7a_100000210340_100000716957 [0,2,0,0,0,0|2,0,0]=4 19865 B17R2.5365 Fc1ccc(cc1COc2ccccc2)I 34a_100000210340_200010149601 [0,2,0,0,0,0|2,0,0]=4 19866 B17R2.5365 Fc1ccc(cc1COc2ccccc2)I 7a_100000210340_200010149601 [0,2,0,0,0,0|2,0,0]=4 19867 B17R2.5365 Fc1ccc(cc1COc2cccnc2)Br 34a_100000210849_100000736399 [0,2,0,0,0,0|2,0,0]=4 19868 B17R2.5365 Fc1ccc(cc1COc2cccnc2)Br 7a_100000210849_100000736399 [0,2,0,0,0,0|2,0,0]=4 19869 B17R2.5365 Fc1ccc(cc1COc2cccnc2)Cl 34a_100000210849_100000716957 [0,2,0,0,0,0|2,0,0]=4 19870 B17R2.5365 Fc1ccc(cc1COc2cccnc2)Cl 7a_100000210849_100000716957 [0,2,0,0,0,0|2,0,0]=4 19871 B17R2.5365 Fc1ccc(cc1COc2cccnc2)I 34a_100000210849_200010149601 [0,2,0,0,0,0|2,0,0]=4 19872 B17R2.5365 Fc1ccc(cc1COc2cccnc2)I 7a_100000210849_200010149601 [0,2,0,0,0,0|2,0,0]=4 19873 B17R2.5365 Fc1ccc(cc1CSc2ccccc2)Br 62a_100000719477_100000736399 [0,2,0,0,0,0|2,0,0]=4 19874 B17R2.5365 Fc1ccc(cc1CSc2ccccc2)Br 62a_100000736399_100000041952 [0,2,0,0,0,0|2,0,0]=4 19875 B17R2.5365 Fc1ccc(cc1CSc2ccccc2)Cl 62a_100000716957_100000041952 [0,2,0,0,0,0|2,0,0]=4 19876 B17R2.5365 Fc1ccc(cc1CSc2ccccc2)Cl 62a_100000719477_100000716957 [0,2,0,0,0,0|2,0,0]=4 19877 B17R2.5365 Fc1ccc(cc1CSc2ccccc2)I 62a_100000719477_200010149601 [0,2,0,0,0,0|2,0,0]=4 19878 B17R2.5365 Fc1ccc(cc1CSc2ccccc2)I 62a_200010149601_100000041952 [0,2,0,0,0,0|2,0,0]=4 19879 B17R2.5365 Fc1ccc(cc1CSc2cccnc2)Br 62a_100000210063_100000736399 [0,2,0,0,0,0|2,0,0]=4 19880 B17R2.5365 Fc1ccc(cc1CSc2cccnc2)Br 62a_100000736399_100000210063 [0,2,0,0,0,0|2,0,0]=4 19881 B17R2.5365 Fc1ccc(cc1CSc2cccnc2)Cl 62a_100000210063_100000716957 [0,2,0,0,0,0|2,0,0]=4 19882 B17R2.5365 Fc1ccc(cc1CSc2cccnc2)Cl 62a_100000716957_100000210063 [0,2,0,0,0,0|2,0,0]=4 19883 B17R2.5365 Fc1ccc(cc1CSc2cccnc2)I 62a_100000210063_200010149601 [0,2,0,0,0,0|2,0,0]=4 19884 B17R2.5365 Fc1ccc(cc1CSc2cccnc2)I 62a_200010149601_100000210063 [0,2,0,0,0,0|2,0,0]=4 19885 B17R2.5365 Fc1ccc(cc1NCc2ccccc2)Br 207a_100000740924_100015611070 [0,2,0,0,0,0|1,0,0]=3 19886 B17R2.5365 Fc1ccc(cc1NCc2ccccc2)Br 270302a_100000740924_100015611070 [0,2,0,0,0,0|1,0,0]=3 19887 B17R2.5365 Fc1ccc(cc1NCc2ccccc2)Br 34a_100000740924_100015291786 [0,2,0,0,0,0|1,0,0]=3 19888 B17R2.5365 Fc1ccc(cc1NCc2ccccc2)Cl 207a_100000212115_100015611070 [0,2,0,0,0,0|1,0,0]=3 19889 B17R2.5365 Fc1ccc(cc1NCc2ccccc2)Cl 270302a_100000212115_100015611070 [0,2,0,0,0,0|1,0,0]=3 19890 B17R2.5365 Fc1ccc(cc1NCc2ccccc2)Cl 34a_100000212115_100015291786 [0,2,0,0,0,0|1,0,0]=3 19891 B17R2.5365 Fc1ccc(cc1NCc2ccccc2)I 207a_100011464823_100015611070 [0,2,0,0,0,0|1,0,0]=3 19892 B17R2.5365 Fc1ccc(cc1NCc2ccccc2)I 270302a_100011464823_100015611070 [0,2,0,0,0,0|1,0,0]=3 19893 B17R2.5365 Fc1ccc(cc1NCc2ccccc2)I 34a_100011464823_100015291786 [0,2,0,0,0,0|1,0,0]=3 19894 B17R2.5365 Fc1ccc(cc1NCc2ccccn2)Br 207a_100000740924_100000209966 [0,2,0,0,0,0|2,0,0]=4 19895 B17R2.5365 Fc1ccc(cc1NCc2ccccn2)Br 270302a_100000740924_100000209966 [0,2,0,0,0,0|2,0,0]=4 19896 B17R2.5365 Fc1ccc(cc1NCc2ccccn2)Br 34a_100000740924_100000721315 [0,2,0,0,0,0|2,0,0]=4 19897 B17R2.5365 Fc1ccc(cc1NCc2ccccn2)Cl 207a_100000212115_100000209966 [0,2,0,0,0,0|2,0,0]=4 19898 B17R2.5365 Fc1ccc(cc1NCc2ccccn2)Cl 270302a_100000212115_100000209966 [0,2,0,0,0,0|2,0,0]=4 19899 B17R2.5365 Fc1ccc(cc1NCc2ccccn2)Cl 34a_100000212115_100000721315 [0,2,0,0,0,0|2,0,0]=4 19900 B17R2.5365 Fc1ccc(cc1NCc2ccccn2)I 207a_100011464823_100000209966 [0,2,0,0,0,0|2,0,0]=4 19901 B17R2.5365 Fc1ccc(cc1NCc2ccccn2)I 270302a_100011464823_100000209966 [0,2,0,0,0,0|2,0,0]=4 19902 B17R2.5365 Fc1ccc(cc1NCc2ccccn2)I 34a_100011464823_100000721315 [0,2,0,0,0,0|2,0,0]=4 19903 B17R2.5365 Fc1ccc(cc1NCc2cccnc2)Br 207a_100000740924_100000209961 [0,2,0,0,0,0|0,0,0]=2 19904 B17R2.5365 Fc1ccc(cc1NCc2cccnc2)Br 270302a_100000740924_100000209961 [0,2,0,0,0,0|0,0,0]=2 19905 B17R2.5365 Fc1ccc(cc1NCc2cccnc2)Br 34a_100000740924_100000733263 [0,2,0,0,0,0|0,0,0]=2 19906 B17R2.5365 Fc1ccc(cc1NCc2cccnc2)Cl 207a_100000212115_100000209961 [0,2,0,0,0,0|0,0,0]=2 19907 B17R2.5365 Fc1ccc(cc1NCc2cccnc2)Cl 270302a_100000212115_100000209961 [0,2,0,0,0,0|0,0,0]=2 19908 B17R2.5365 Fc1ccc(cc1NCc2cccnc2)Cl 34a_100000212115_100000733263 [0,2,0,0,0,0|0,0,0]=2 19909 B17R2.5365 Fc1ccc(cc1NCc2cccnc2)I 207a_100011464823_100000209961 [0,2,0,0,0,0|0,0,0]=2 19910 B17R2.5365 Fc1ccc(cc1NCc2cccnc2)I 270302a_100011464823_100000209961 [0,2,0,0,0,0|0,0,0]=2 19911 B17R2.5365 Fc1ccc(cc1NCc2cccnc2)I 34a_100011464823_100000733263 [0,2,0,0,0,0|0,0,0]=2 19912 B17R2.5365 Fc1ccc(cc1NCc2cccnn2)Br 34a_100000740924_100016990269 [0,2,0,0,0,0|1,0,0]=3 19913 B17R2.5365 Fc1ccc(cc1NCc2cccnn2)Cl 34a_100000212115_100016990269 [0,2,0,0,0,0|1,0,0]=3 19914 B17R2.5365 Fc1ccc(cc1NCc2cccnn2)I 34a_100011464823_100016990269 [0,2,0,0,0,0|1,0,0]=3 19915 B17R2.5365 Fc1ccc(cc1NCc2ccncc2)Br 207a_100000740924_100000186114 [0,2,0,0,0,0|2,0,0]=4 19916 B17R2.5365 Fc1ccc(cc1NCc2ccncc2)Cl 207a_100000212115_100000186114 [0,2,0,0,0,0|2,0,0]=4 19917 B17R2.5365 Fc1ccc(cc1NCc2ccncc2)I 207a_100011464823_100000186114 [0,2,0,0,0,0|2,0,0]=4 19918 B17R2.5365 Fc1ccc(cc1NCc2ccnnc2)Br 270302a_100000740924_100011934578 [0,2,0,0,0,0|1,0,0]=3 19919 B17R2.5365 Fc1ccc(cc1NCc2ccnnc2)Cl 270302a_100000212115_100011934578 [0,2,0,0,0,0|1,0,0]=3 19920 B17R2.5365 Fc1ccc(cc1NCc2ccnnc2)I 270302a_100011464823_100011934578 [0,2,0,0,0,0|1,0,0]=3 19921 B17R2.5365 Fc1ccc(cc1NCc2cnccn2)Br 34a_100000740924_100016995436 [0,2,0,0,0,0|1,0,0]=3 19922 B17R2.5365 Fc1ccc(cc1NCc2cnccn2)Cl 34a_100000212115_100016995436 [0,2,0,0,0,0|1,0,0]=3 19923 B17R2.5365 Fc1ccc(cc1NCc2cnccn2)I 34a_100011464823_100016995436 [0,2,0,0,0,0|1,0,0]=3 19924 B17R2.5365 Fc1ccc(cc1NCc2cncnc2)Br 270302a_100000740924_100000749868 [0,2,0,0,0,0|1,0,0]=3 19925 B17R2.5365 Fc1ccc(cc1NCc2cncnc2)Br 34a_100000740924_100015196519 [0,2,0,0,0,0|1,0,0]=3 19926 B17R2.5365 Fc1ccc(cc1NCc2cncnc2)Cl 270302a_100000212115_100000749868 [0,2,0,0,0,0|1,0,0]=3 19927 B17R2.5365 Fc1ccc(cc1NCc2cncnc2)Cl 34a_100000212115_100015196519 [0,2,0,0,0,0|1,0,0]=3 19928 B17R2.5365 Fc1ccc(cc1NCc2cncnc2)I 270302a_100011464823_100000749868 [0,2,0,0,0,0|1,0,0]=3 19929 B17R2.5365 Fc1ccc(cc1NCc2cncnc2)I 34a_100011464823_100015196519 [0,2,0,0,0,0|1,0,0]=3 19930 B17R2.5365 Fc1ccc(cc1OCc2ccccc2)Br 34a_100000686035_100015291786 [0,2,0,0,0,0|2,0,0]=4 19931 B17R2.5365 Fc1ccc(cc1OCc2ccccc2)Br 7a_100000686035_100000211182 [0,2,0,0,0,0|2,0,0]=4 19932 B17R2.5365 Fc1ccc(cc1OCc2ccccc2)Cl 34a_100000757397_100015291786 [0,2,0,0,0,0|2,0,0]=4 19933 B17R2.5365 Fc1ccc(cc1OCc2ccccc2)Cl 7a_100000757397_100000211182 [0,2,0,0,0,0|2,0,0]=4 19934 B17R2.5365 Fc1ccc(cc1OCc2ccccc2)I 34a_100009958187_100015291786 [0,2,0,0,0,0|2,0,0]=4 19935 B17R2.5365 Fc1ccc(cc1OCc2ccccc2)I 7a_100009958187_100000211182 [0,2,0,0,0,0|2,0,0]=4 19936 B17R2.5365 Fc1ccc(cc1OCc2cccnc2)Br 34a_100000686035_100000733263 [0,2,0,0,0,0|1,0,0]=3 19937 B17R2.5365 Fc1ccc(cc1OCc2cccnc2)Br 7a_100000686035_100000741622 [0,2,0,0,0,0|1,0,0]=3 19938 B17R2.5365 Fc1ccc(cc1OCc2cccnc2)Cl 34a_100000757397_100000733263 [0,2,0,0,0,0|1,0,0]=3 19939 B17R2.5365 Fc1ccc(cc1OCc2cccnc2)Cl 7a_100000757397_100000741622 [0,2,0,0,0,0|1,0,0]=3 19940 B17R2.5365 Fc1ccc(cc1OCc2cccnc2)I 34a_100009958187_100000733263 [0,2,0,0,0,0|1,0,0]=3 19941 B17R2.5365 Fc1ccc(cc1OCc2cccnc2)I 7a_100009958187_100000741622 [0,2,0,0,0,0|1,0,0]=3 19942 B17R2.5365 Fc1ccc(cc1OCc2cccnn2)Br 34a_100000686035_100016990269 [0,2,0,0,0,0|2,0,0]=4 19943 B17R2.5365 Fc1ccc(cc1OCc2cccnn2)Br 7a_100000686035_100016990269 [0,2,0,0,0,0|2,0,0]=4 19944 B17R2.5365 Fc1ccc(cc1OCc2cccnn2)Cl 34a_100000757397_100016990269 [0,2,0,0,0,0|2,0,0]=4 19945 B17R2.5365 Fc1ccc(cc1OCc2cccnn2)Cl 7a_100000757397_100016990269 [0,2,0,0,0,0|2,0,0]=4 19946 B17R2.5365 Fc1ccc(cc1OCc2cccnn2)I 34a_100009958187_100016990269 [0,2,0,0,0,0|2,0,0]=4 19947 B17R2.5365 Fc1ccc(cc1OCc2cccnn2)I 7a_100009958187_100016990269 [0,2,0,0,0,0|2,0,0]=4 19948 B17R2.5365 Fc1ccc(cc1OCc2cnccn2)Br 34a_100000686035_100016995436 [0,2,0,0,0,0|2,0,0]=4 19949 B17R2.5365 Fc1ccc(cc1OCc2cnccn2)Br 7a_100000686035_100016995436 [0,2,0,0,0,0|2,0,0]=4 19950 B17R2.5365 Fc1ccc(cc1OCc2cnccn2)Cl 34a_100000757397_100016995436 [0,2,0,0,0,0|2,0,0]=4 19951 B17R2.5365 Fc1ccc(cc1OCc2cnccn2)Cl 7a_100000757397_100016995436 [0,2,0,0,0,0|2,0,0]=4 19952 B17R2.5365 Fc1ccc(cc1OCc2cnccn2)I 34a_100009958187_100016995436 [0,2,0,0,0,0|2,0,0]=4 19953 B17R2.5365 Fc1ccc(cc1OCc2cnccn2)I 7a_100009958187_100016995436 [0,2,0,0,0,0|2,0,0]=4 19954 B17R2.5365 Fc1ccc(cc1OCc2cncnc2)Br 34a_100000686035_100015196519 [0,2,0,0,0,0|2,0,0]=4 19955 B17R2.5365 Fc1ccc(cc1OCc2cncnc2)Br 7a_100000686035_100015196519 [0,2,0,0,0,0|2,0,0]=4 19956 B17R2.5365 Fc1ccc(cc1OCc2cncnc2)Cl 34a_100000757397_100015196519 [0,2,0,0,0,0|2,0,0]=4 19957 B17R2.5365 Fc1ccc(cc1OCc2cncnc2)Cl 7a_100000757397_100015196519 [0,2,0,0,0,0|2,0,0]=4 19958 B17R2.5365 Fc1ccc(cc1OCc2cncnc2)I 34a_100009958187_100015196519 [0,2,0,0,0,0|2,0,0]=4 19959 B17R2.5365 Fc1ccc(cc1OCc2cncnc2)I 7a_100009958187_100015196519 [0,2,0,0,0,0|2,0,0]=4 19960 B17R2.5365 Fc1ccc(cc1SCc2ccccc2)Br 62a_100000211182_100011217312 [0,2,0,0,0,0|2,0,0]=4 19961 B17R2.5365 Fc1ccc(cc1SCc2ccccc2)Br 62a_100011217312_100015291786 [0,2,0,0,0,0|2,0,0]=4 19962 B17R2.5365 Fc1ccc(cc1SCc2ccccc2)Cl 62a_100000211182_100011218116 [0,2,0,0,0,0|2,0,0]=4 19963 B17R2.5365 Fc1ccc(cc1SCc2ccccc2)Cl 62a_100011218116_100015291786 [0,2,0,0,0,0|2,0,0]=4 19964 B17R2.5365 Fc1ccc(cc1SCc2cccnc2)Br 62a_100000741622_100011217312 [0,2,0,0,0,0|1,0,0]=3 19965 B17R2.5365 Fc1ccc(cc1SCc2cccnc2)Br 62a_100011217312_100000741622 [0,2,0,0,0,0|1,0,0]=3 19966 B17R2.5365 Fc1ccc(cc1SCc2cccnc2)Cl 62a_100000741622_100011218116 [0,2,0,0,0,0|1,0,0]=3 19967 B17R2.5365 Fc1ccc(cc1SCc2cccnc2)Cl 62a_100011218116_100000741622 [0,2,0,0,0,0|1,0,0]=3 19968 B17R2.5365 Fc1ccc(cc1SCc2cccnn2)Br 62a_100011217312_100016990269 [0,2,0,0,0,0|2,0,0]=4 19969 B17R2.5365 Fc1ccc(cc1SCc2cccnn2)Br 62a_100016990269_100011217312 [0,2,0,0,0,0|2,0,0]=4 19970 B17R2.5365 Fc1ccc(cc1SCc2cccnn2)Cl 62a_100011218116_100016990269 [0,2,0,0,0,0|2,0,0]=4 19971 B17R2.5365 Fc1ccc(cc1SCc2cccnn2)Cl 62a_100016990269_100011218116 [0,2,0,0,0,0|2,0,0]=4 19972 B17R2.5365 Fc1ccc(cc1SCc2cnccn2)Br 62a_100011217312_100016995436 [0,2,0,0,0,0|2,0,0]=4 19973 B17R2.5365 Fc1ccc(cc1SCc2cnccn2)Br 62a_100016995436_100011217312 [0,2,0,0,0,0|2,0,0]=4 19974 B17R2.5365 Fc1ccc(cc1SCc2cnccn2)Cl 62a_100011218116_100016995436 [0,2,0,0,0,0|2,0,0]=4 19975 B17R2.5365 Fc1ccc(cc1SCc2cnccn2)Cl 62a_100016995436_100011218116 [0,2,0,0,0,0|2,0,0]=4 19976 B17R2.5365 Fc1ccc(cc1SCc2cncnc2)Br 62a_100011217312_100015196519 [0,2,0,0,0,0|2,0,0]=4 19977 B17R2.5365 Fc1ccc(cc1SCc2cncnc2)Br 62a_100015196519_100011217312 [0,2,0,0,0,0|2,0,0]=4 19978 B17R2.5365 Fc1ccc(cc1SCc2cncnc2)Cl 62a_100011218116_100015196519 [0,2,0,0,0,0|2,0,0]=4 19979 B17R2.5365 Fc1ccc(cc1SCc2cncnc2)Cl 62a_100015196519_100011218116 [0,2,0,0,0,0|2,0,0]=4 19980 B17R2.5365 Fc1ccc(nc1CNc2ccccc2)Br 34a_100000106764_100010065826 [0,2,0,0,0,0|2,0,0]=4 19981 B17R2.5365 Fc1ccc(nc1CNc2ccccc2)Cl 34a_100000106764_100009881012 [0,2,0,0,0,0|2,0,0]=4 19982 B17R2.5365 Fc1ccc(nc1OCc2cccnc2)Cl 34a_100010729010_100000733263 [0,2,0,0,0,0|2,0,0]=4 19983 B17R2.5365 Fc1ccc(nc1SCc2cccnc2)Cl 62a_100000741622_100010136221 [0,2,0,0,0,0|2,0,0]=4 19984 B17R2.5365 Fc1ccc(nc1SCc2cccnc2)Cl 62a_100010136221_100000741622 [0,2,0,0,0,0|2,0,0]=4 19985 B17R2.5365 Fc1cnc(c(c1)C#Cc2ccccc2)F 271570a_100000069678_100009820768 [0,2,0,0,0,0|1,0,1]=4 19986 B17R2.5365 Fc1cnc(c(c1)C=Cc2ccccc2)F 271570a_100102527694_100009820768 [0,2,0,0,0,0|1,0,1]=4 19987 B17R2.5365 Fc1cnc(c(c1)CNc2ccccc2)Cl 207a_100000106764_100000079965 [0,2,0,0,0,0|0,0,0]=2 19988 B17R2.5365 Fc1cnc(c(c1)CNc2cccnn2)Br 27a_100010760786_100016991348 [0,2,0,0,0,0|2,0,0]=4 19989 B17R2.5365 Fc1cnc(c(c1)CNc2ccncn2)Br 27a_100010760786_100000703185 [0,2,0,0,0,0|2,0,0]=4 19990 B17R2.5365 Fc1cnc(c(c1)CNc2cnccn2)Br 27a_100010760786_100000211759 [0,2,0,0,0,0|2,0,0]=4 19991 B17R2.5365 Fc1cnc(c(c1)CNc2ncccn2)Br 27a_100010760786_100000211032 [0,2,0,0,0,0|2,0,0]=4 19992 B17R2.5365 Fc1cnc(c(c1)OCc2ccccc2)Br 34a_100009820119_100015291786 [0,2,0,0,0,0|2,0,0]=4 19993 B17R2.5365 Fc1cnc(c(c1)OCc2ccccc2)Br 7a_100009820119_100000211182 [0,2,0,0,0,0|2,0,0]=4 19994 B17R2.5365 Fc1cnc(c(c1)OCc2ccccc2)Cl 34a_100000079967_100015291786 [0,2,0,0,0,0|2,0,0]=4 19995 B17R2.5365 Fc1cnc(c(c1)OCc2ccccc2)Cl 7a_100000079967_100000211182 [0,2,0,0,0,0|2,0,0]=4 19996 B17R2.5365 Fc1cnc(c(c1)OCc2ccccc2)I 34a_100015624800_100015291786 [0,2,0,0,0,0|2,0,0]=4 19997 B17R2.5365 Fc1cnc(c(c1)OCc2ccccc2)I 7a_100015624800_100000211182 [0,2,0,0,0,0|2,0,0]=4 19998 B17R2.5365 Fc1cnc(c(c1)OCc2cccnc2)Br 34a_100009820119_100000733263 [0,2,0,0,0,0|2,0,0]=4 19999 B17R2.5365 Fc1cnc(c(c1)OCc2cccnc2)Br 7a_100009820119_100000741622 [0,2,0,0,0,0|2,0,0]=4 20000 B17R2.5365 Fc1cnc(c(c1)OCc2cccnc2)Cl 34a_100000079967_100000733263 [0,2,0,0,0,0|2,0,0]=4 20001 B17R2.5365 Fc1cnc(c(c1)OCc2cccnc2)Cl 7a_100000079967_100000741622 [0,2,0,0,0,0|2,0,0]=4 20002 B17R2.5365 Fc1cnc(c(c1)OCc2cccnc2)I 34a_100015624800_100000733263 [0,2,0,0,0,0|2,0,0]=4 20003 B17R2.5365 Fc1cnc(c(c1)OCc2cccnc2)I 7a_100015624800_100000741622 [0,2,0,0,0,0|2,0,0]=4 20004 B17R2.5365 Fc1cnc(c(c1)SCc2ccccc2)F 62a_100000211182_100009820768 [0,2,0,0,0,0|2,0,0]=4 20005 B17R2.5365 Fc1cnc(c(c1)SCc2ccccc2)F 62a_100009820768_100015291786 [0,2,0,0,0,0|2,0,0]=4 20006 B17R2.5365 Fc1cnc(c(c1)SCc2cccnc2)F 62a_100000741622_100009820768 [0,2,0,0,0,0|2,0,0]=4 20007 B17R2.5365 Fc1cnc(c(c1)SCc2cccnc2)F 62a_100009820768_100000741622 [0,2,0,0,0,0|2,0,0]=4 20008 B17R2.5365 Fc1cnc(cc1OCc2cccnc2)Br 34a_100009854642_100000733263 [0,2,0,0,0,0|2,0,0]=4 20009 B17R2.5365 Fc1cnc(cc1OCc2cccnc2)Cl 34a_100009851168_100000733263 [0,2,0,0,0,0|2,0,0]=4 20010 B17R2.5365 Fc1cnc(cc1SCc2cccnc2)Br 62a_100000741622_100010193852 [0,2,0,0,0,0|2,0,0]=4 20011 B17R2.5365 Fc1cnc(cc1SCc2cccnc2)Br 62a_100010193852_100000741622 [0,2,0,0,0,0|2,0,0]=4 20012 B17R2.5365 Fc1cnc(cc1SCc2cccnc2)Cl 62a_100000708277_100000741622 [0,2,0,0,0,0|2,0,0]=4 20013 B17R2.5365 Fc1cnc(cc1SCc2cccnc2)Cl 62a_100000741622_100000708277 [0,2,0,0,0,0|2,0,0]=4 20014 B17R2.5365 Fc1ncc(cc1C#Cc2ccccc2)Br 271570a_100000069678_100010172738 [0,2,0,0,0,0|1,0,1]=4 20015 B17R2.5365 Fc1ncc(cc1C#Cc2ccccc2)Cl 271570a_100000069678_100010188783 [0,2,0,0,0,0|1,0,1]=4 20016 B17R2.5365 Fc1ncc(cc1C=Cc2ccccc2)Br 271570a_100102527694_100010172738 [0,2,0,0,0,0|1,0,1]=4 20017 B17R2.5365 Fc1ncc(cc1C=Cc2ccccc2)Cl 271570a_100102527694_100010188783 [0,2,0,0,0,0|1,0,1]=4 20018 B17R2.5365 Fc1ncc(cc1NCc2ccccc2)Br 27a_100015324214_100010172738 [0,2,0,0,0,0|2,0,0]=4 20019 B17R2.5365 Fc1ncc(cc1NCc2ccccc2)Cl 27a_100015324214_100010188783 [0,2,0,0,0,0|2,0,0]=4 20020 B17R2.5365 Fc1ncc(cc1NCc2cccnc2)Br 27a_100000210453_100010172738 [0,2,0,0,0,0|1,0,0]=3 20021 B17R2.5365 Fc1ncc(cc1NCc2cccnc2)Cl 27a_100000210453_100010188783 [0,2,0,0,0,0|1,0,0]=3 20022 B17R2.5365 Fc1ncc(cc1NCc2cccnn2)Br 27a_100159270163_100010172738 [0,2,0,0,0,0|2,0,0]=4 20023 B17R2.5365 Fc1ncc(cc1NCc2cccnn2)Cl 27a_100159270163_100010188783 [0,2,0,0,0,0|2,0,0]=4 20024 B17R2.5365 Fc1ncc(cc1NCc2cnccn2)Br 27a_100000737960_100010172738 [0,2,0,0,0,0|2,0,0]=4 20025 B17R2.5365 Fc1ncc(cc1NCc2cnccn2)Cl 27a_100000737960_100010188783 [0,2,0,0,0,0|2,0,0]=4 20026 B17R2.5365 Fc1ncc(cc1NCc2cncnc2)Br 27a_100011243677_100010172738 [0,2,0,0,0,0|2,0,0]=4 20027 B17R2.5365 Fc1ncc(cc1NCc2cncnc2)Cl 27a_100011243677_100010188783 [0,2,0,0,0,0|2,0,0]=4 20028 B17R2.5365 Fc1ncc(cc1OCc2ccccc2)Br 34a_100009819871_100015291786 [0,2,0,0,0,0|2,0,0]=4 20029 B17R2.5365 Fc1ncc(cc1OCc2ccccc2)Br 7a_100009819871_100000211182 [0,2,0,0,0,0|2,0,0]=4 20030 B17R2.5365 Fc1ncc(cc1OCc2ccccc2)Cl 34a_100000094372_100015291786 [0,2,0,0,0,0|2,0,0]=4 20031 B17R2.5365 Fc1ncc(cc1OCc2ccccc2)Cl 7a_100000094372_100000211182 [0,2,0,0,0,0|2,0,0]=4 20032 B17R2.5365 Fc1ncc(cc1OCc2cccnc2)Br 34a_100009819871_100000733263 [0,2,0,0,0,0|2,0,0]=4 20033 B17R2.5365 Fc1ncc(cc1OCc2cccnc2)Br 7a_100009819871_100000741622 [0,2,0,0,0,0|2,0,0]=4 20034 B17R2.5365 Fc1ncc(cc1OCc2cccnc2)Cl 34a_100000094372_100000733263 [0,2,0,0,0,0|2,0,0]=4 20035 B17R2.5365 Fc1ncc(cc1OCc2cccnc2)Cl 7a_100000094372_100000741622 [0,2,0,0,0,0|2,0,0]=4 20036 B17R2.5365 Fc1ncc(cc1SCc2ccccc2)Br 62a_100000211182_100010172738 [0,2,0,0,0,0|2,0,0]=4 20037 B17R2.5365 Fc1ncc(cc1SCc2ccccc2)Br 62a_100010172738_100015291786 [0,2,0,0,0,0|2,0,0]=4 20038 B17R2.5365 Fc1ncc(cc1SCc2ccccc2)Cl 62a_100000211182_100010188783 [0,2,0,0,0,0|2,0,0]=4 20039 B17R2.5365 Fc1ncc(cc1SCc2ccccc2)Cl 62a_100010188783_100015291786 [0,2,0,0,0,0|2,0,0]=4 20040 B17R2.5365 Fc1ncc(cc1SCc2cccnc2)Br 62a_100000741622_100010172738 [0,2,0,0,0,0|2,0,0]=4 20041 B17R2.5365 Fc1ncc(cc1SCc2cccnc2)Br 62a_100010172738_100000741622 [0,2,0,0,0,0|2,0,0]=4 20042 B17R2.5365 Fc1ncc(cc1SCc2cccnc2)Cl 62a_100000741622_100010188783 [0,2,0,0,0,0|2,0,0]=4 20043 B17R2.5365 Fc1ncc(cc1SCc2cccnc2)Cl 62a_100010188783_100000741622 [0,2,0,0,0,0|2,0,0]=4 20044 B17R2.5365 Nc1cc(c(cn1)Cl)SCc2cccnc2 62a_100000741622_100010134119 [0,2,0,0,0,0|2,0,0]=4 20045 B17R2.5365 Nc1cc(c(cn1)Cl)SCc2cccnc2 62a_100010134119_100000741622 [0,2,0,0,0,0|2,0,0]=4 20046 B17R2.5365 Nc1cc(c(cn1)F)SCc2cccnc2 62a_100000741622_100015713587 [0,2,0,0,0,0|2,0,0]=4 20047 B17R2.5365 Nc1cc(c(cn1)F)SCc2cccnc2 62a_100015713587_100000741622 [0,2,0,0,0,0|2,0,0]=4 20048 B17R2.5365 Nc1ccc(c(c1)C=Cc2cccnc2)Br 271570a_100102525586_100000750459 [0,2,0,0,0,0|1,0,1]=4 20049 B17R2.5365 Nc1ccc(c(c1)C=Cc2cccnc2)Cl 271570a_100102525586_100012360549 [0,2,0,0,0,0|1,0,1]=4 20050 B17R2.5365 Nc1ccc(c(c1)C=Cc2cccnc2)F 271570a_100102525586_100000760356 [0,2,0,0,0,0|1,0,1]=4 20051 B17R2.5365 Nc1ccc(c(c1)C=Cc2cccnc2)N 271570a_100102525586_100011534242 [0,2,0,0,0,0|1,0,1]=4 20052 B17R2.5365 Nc1ccc(c(c1)C=Cc2cccnc2)O 271570a_100102525586_100011534360 [0,2,0,0,0,0|1,0,1]=4 20053 B17R2.5365 Nc1ccc(c(c1)OCc2ccccc2)Cl 34a_100011934209_100015291786 [0,2,0,0,0,0|2,0,0]=4 20054 B17R2.5365 Nc1ccc(c(c1)OCc2ccccc2)F 34a_100012017398_100015291786 [0,2,0,0,0,0|2,0,0]=4 20055 B17R2.5365 Nc1ccc(c(c1)OCc2ccccc2)F 7a_100012017398_100000211182 [0,2,0,0,0,0|2,0,0]=4 20056 B17R2.5365 Nc1ccc(c(c1)OCc2ccccc2)N 34a_100025717382_100015291786 [0,2,0,0,0,0|2,0,0]=4 20057 B17R2.5365 Nc1ccc(c(c1)OCc2cccnc2)Cl 34a_100011934209_100000733263 [0,2,0,0,0,0|1,0,0]=3 20058 B17R2.5365 Nc1ccc(c(c1)OCc2cccnc2)F 34a_100012017398_100000733263 [0,2,0,0,0,0|1,0,0]=3 20059 B17R2.5365 Nc1ccc(c(c1)OCc2cccnc2)F 7a_100012017398_100000741622 [0,2,0,0,0,0|1,0,0]=3 20060 B17R2.5365 Nc1ccc(c(c1)OCc2cccnc2)N 34a_100025717382_100000733263 [0,2,0,0,0,0|1,0,0]=3 20061 B17R2.5365 Nc1ccc(c(c1)OCc2cccnn2)Cl 34a_100011934209_100016990269 [0,2,0,0,0,0|2,0,0]=4 20062 B17R2.5365 Nc1ccc(c(c1)OCc2cccnn2)F 34a_100012017398_100016990269 [0,2,0,0,0,0|2,0,0]=4 20063 B17R2.5365 Nc1ccc(c(c1)OCc2cccnn2)F 7a_100012017398_100016990269 [0,2,0,0,0,0|2,0,0]=4 20064 B17R2.5365 Nc1ccc(c(c1)OCc2cccnn2)N 34a_100025717382_100016990269 [0,2,0,0,0,0|2,0,0]=4 20065 B17R2.5365 Nc1ccc(c(c1)OCc2cnccn2)Cl 34a_100011934209_100016995436 [0,2,0,0,0,0|2,0,0]=4 20066 B17R2.5365 Nc1ccc(c(c1)OCc2cnccn2)F 34a_100012017398_100016995436 [0,2,0,0,0,0|2,0,0]=4 20067 B17R2.5365 Nc1ccc(c(c1)OCc2cnccn2)F 7a_100012017398_100016995436 [0,2,0,0,0,0|2,0,0]=4 20068 B17R2.5365 Nc1ccc(c(c1)OCc2cnccn2)N 34a_100025717382_100016995436 [0,2,0,0,0,0|2,0,0]=4 20069 B17R2.5365 Nc1ccc(c(c1)OCc2cncnc2)Cl 34a_100011934209_100015196519 [0,2,0,0,0,0|2,0,0]=4 20070 B17R2.5365 Nc1ccc(c(c1)OCc2cncnc2)F 34a_100012017398_100015196519 [0,2,0,0,0,0|2,0,0]=4 20071 B17R2.5365 Nc1ccc(c(c1)OCc2cncnc2)F 7a_100012017398_100015196519 [0,2,0,0,0,0|2,0,0]=4 20072 B17R2.5365 Nc1ccc(c(c1)OCc2cncnc2)N 34a_100025717382_100015196519 [0,2,0,0,0,0|2,0,0]=4 20073 B17R2.5365 Nc1ccc(c(c1)SCc2ccccc2)Br 62a_100000211182_100000750459 [0,2,0,0,0,0|2,0,0]=4 20074 B17R2.5365 Nc1ccc(c(c1)SCc2ccccc2)Br 62a_100000750459_100015291786 [0,2,0,0,0,0|2,0,0]=4 20075 B17R2.5365 Nc1ccc(c(c1)SCc2ccccc2)Cl 62a_100000211182_100012360549 [0,2,0,0,0,0|2,0,0]=4 20076 B17R2.5365 Nc1ccc(c(c1)SCc2ccccc2)Cl 62a_100012360549_100015291786 [0,2,0,0,0,0|2,0,0]=4 20077 B17R2.5365 Nc1ccc(c(c1)SCc2ccccc2)F 62a_100000211182_100000760356 [0,2,0,0,0,0|2,0,0]=4 20078 B17R2.5365 Nc1ccc(c(c1)SCc2ccccc2)F 62a_100000760356_100015291786 [0,2,0,0,0,0|2,0,0]=4 20079 B17R2.5365 Nc1ccc(c(c1)SCc2ccccc2)N 62a_100000211182_100011534242 [0,2,0,0,0,0|2,0,0]=4 20080 B17R2.5365 Nc1ccc(c(c1)SCc2ccccc2)N 62a_100011534242_100015291786 [0,2,0,0,0,0|2,0,0]=4 20081 B17R2.5365 Nc1ccc(c(c1)SCc2ccccc2)O 62a_100000211182_100011534360 [0,2,0,0,0,0|2,0,0]=4 20082 B17R2.5365 Nc1ccc(c(c1)SCc2ccccc2)O 62a_100011534360_100015291786 [0,2,0,0,0,0|2,0,0]=4 20083 B17R2.5365 Nc1ccc(c(c1)SCc2cccnc2)Br 62a_100000741622_100000750459 [0,2,0,0,0,0|1,0,0]=3 20084 B17R2.5365 Nc1ccc(c(c1)SCc2cccnc2)Br 62a_100000750459_100000741622 [0,2,0,0,0,0|1,0,0]=3 20085 B17R2.5365 Nc1ccc(c(c1)SCc2cccnc2)Cl 62a_100000741622_100012360549 [0,2,0,0,0,0|1,0,0]=3 20086 B17R2.5365 Nc1ccc(c(c1)SCc2cccnc2)Cl 62a_100012360549_100000741622 [0,2,0,0,0,0|1,0,0]=3 20087 B17R2.5365 Nc1ccc(c(c1)SCc2cccnc2)F 62a_100000741622_100000760356 [0,2,0,0,0,0|1,0,0]=3 20088 B17R2.5365 Nc1ccc(c(c1)SCc2cccnc2)F 62a_100000760356_100000741622 [0,2,0,0,0,0|1,0,0]=3 20089 B17R2.5365 Nc1ccc(c(c1)SCc2cccnc2)N 62a_100000741622_100011534242 [0,2,0,0,0,0|1,0,0]=3 20090 B17R2.5365 Nc1ccc(c(c1)SCc2cccnc2)N 62a_100011534242_100000741622 [0,2,0,0,0,0|1,0,0]=3 20091 B17R2.5365 Nc1ccc(c(c1)SCc2cccnc2)O 62a_100000741622_100011534360 [0,2,0,0,0,0|1,0,0]=3 20092 B17R2.5365 Nc1ccc(c(c1)SCc2cccnc2)O 62a_100011534360_100000741622 [0,2,0,0,0,0|1,0,0]=3 20093 B17R2.5365 Nc1ccc(c(c1)SCc2cccnn2)Br 62a_100000750459_100016990269 [0,2,0,0,0,0|2,0,0]=4 20094 B17R2.5365 Nc1ccc(c(c1)SCc2cccnn2)Br 62a_100016990269_100000750459 [0,2,0,0,0,0|2,0,0]=4 20095 B17R2.5365 Nc1ccc(c(c1)SCc2cccnn2)Cl 62a_100012360549_100016990269 [0,2,0,0,0,0|2,0,0]=4 20096 B17R2.5365 Nc1ccc(c(c1)SCc2cccnn2)Cl 62a_100016990269_100012360549 [0,2,0,0,0,0|2,0,0]=4 20097 B17R2.5365 Nc1ccc(c(c1)SCc2cccnn2)F 62a_100000760356_100016990269 [0,2,0,0,0,0|2,0,0]=4 20098 B17R2.5365 Nc1ccc(c(c1)SCc2cccnn2)F 62a_100016990269_100000760356 [0,2,0,0,0,0|2,0,0]=4 20099 B17R2.5365 Nc1ccc(c(c1)SCc2cccnn2)N 62a_100011534242_100016990269 [0,2,0,0,0,0|2,0,0]=4 20100 B17R2.5365 Nc1ccc(c(c1)SCc2cccnn2)N 62a_100016990269_100011534242 [0,2,0,0,0,0|2,0,0]=4 20101 B17R2.5365 Nc1ccc(c(c1)SCc2cccnn2)O 62a_100011534360_100016990269 [0,2,0,0,0,0|2,0,0]=4 20102 B17R2.5365 Nc1ccc(c(c1)SCc2cccnn2)O 62a_100016990269_100011534360 [0,2,0,0,0,0|2,0,0]=4 20103 B17R2.5365 Nc1ccc(c(c1)SCc2cnccn2)Br 62a_100000750459_100016995436 [0,2,0,0,0,0|2,0,0]=4 20104 B17R2.5365 Nc1ccc(c(c1)SCc2cnccn2)Br 62a_100016995436_100000750459 [0,2,0,0,0,0|2,0,0]=4 20105 B17R2.5365 Nc1ccc(c(c1)SCc2cnccn2)Cl 62a_100012360549_100016995436 [0,2,0,0,0,0|2,0,0]=4 20106 B17R2.5365 Nc1ccc(c(c1)SCc2cnccn2)Cl 62a_100016995436_100012360549 [0,2,0,0,0,0|2,0,0]=4 20107 B17R2.5365 Nc1ccc(c(c1)SCc2cnccn2)F 62a_100000760356_100016995436 [0,2,0,0,0,0|2,0,0]=4 20108 B17R2.5365 Nc1ccc(c(c1)SCc2cnccn2)F 62a_100016995436_100000760356 [0,2,0,0,0,0|2,0,0]=4 20109 B17R2.5365 Nc1ccc(c(c1)SCc2cnccn2)N 62a_100011534242_100016995436 [0,2,0,0,0,0|2,0,0]=4 20110 B17R2.5365 Nc1ccc(c(c1)SCc2cnccn2)N 62a_100016995436_100011534242 [0,2,0,0,0,0|2,0,0]=4 20111 B17R2.5365 Nc1ccc(c(c1)SCc2cnccn2)O 62a_100011534360_100016995436 [0,2,0,0,0,0|2,0,0]=4 20112 B17R2.5365 Nc1ccc(c(c1)SCc2cnccn2)O 62a_100016995436_100011534360 [0,2,0,0,0,0|2,0,0]=4 20113 B17R2.5365 Nc1ccc(c(c1)SCc2cncnc2)Br 62a_100000750459_100015196519 [0,2,0,0,0,0|2,0,0]=4 20114 B17R2.5365 Nc1ccc(c(c1)SCc2cncnc2)Br 62a_100015196519_100000750459 [0,2,0,0,0,0|2,0,0]=4 20115 B17R2.5365 Nc1ccc(c(c1)SCc2cncnc2)Cl 62a_100012360549_100015196519 [0,2,0,0,0,0|2,0,0]=4 20116 B17R2.5365 Nc1ccc(c(c1)SCc2cncnc2)Cl 62a_100015196519_100012360549 [0,2,0,0,0,0|2,0,0]=4 20117 B17R2.5365 Nc1ccc(c(c1)SCc2cncnc2)F 62a_100000760356_100015196519 [0,2,0,0,0,0|2,0,0]=4 20118 B17R2.5365 Nc1ccc(c(c1)SCc2cncnc2)F 62a_100015196519_100000760356 [0,2,0,0,0,0|2,0,0]=4 20119 B17R2.5365 Nc1ccc(c(c1)SCc2cncnc2)N 62a_100011534242_100015196519 [0,2,0,0,0,0|2,0,0]=4 20120 B17R2.5365 Nc1ccc(c(c1)SCc2cncnc2)N 62a_100015196519_100011534242 [0,2,0,0,0,0|2,0,0]=4 20121 B17R2.5365 Nc1ccc(c(c1)SCc2cncnc2)O 62a_100011534360_100015196519 [0,2,0,0,0,0|2,0,0]=4 20122 B17R2.5365 Nc1ccc(c(c1)SCc2cncnc2)O 62a_100015196519_100011534360 [0,2,0,0,0,0|2,0,0]=4 20123 B17R2.5365 Nc1ccc(c(n1)SCc2cccnc2)Br 62a_100000741622_100010192275 [0,2,0,0,0,0|2,0,0]=4 20124 B17R2.5365 Nc1ccc(c(n1)SCc2cccnc2)Br 62a_100010192275_100000741622 [0,2,0,0,0,0|2,0,0]=4 20125 B17R2.5365 Nc1ccc(c(n1)SCc2cccnc2)F 62a_100000741622_100010892222 [0,2,0,0,0,0|2,0,0]=4 20126 B17R2.5365 Nc1ccc(c(n1)SCc2cccnc2)F 62a_100010892222_100000741622 [0,2,0,0,0,0|2,0,0]=4 20127 B17R2.5365 Nc1ccc(c(n1)SCc2cccnc2)N 62a_100000741622_200009884323 [0,2,0,0,0,0|2,0,0]=4 20128 B17R2.5365 Nc1ccc(c(n1)SCc2cccnc2)N 62a_200009884323_100000741622 [0,2,0,0,0,0|2,0,0]=4 20129 B17R2.5365 Nc1ccc(cc1C=Cc2cccnc2)Br 271570a_100102525586_100000187925 [0,2,0,0,0,0|1,0,1]=4 20130 B17R2.5365 Nc1ccc(cc1C=Cc2cccnc2)Cl 271570a_100102525586_100000761889 [0,2,0,0,0,0|1,0,1]=4 20131 B17R2.5365 Nc1ccc(cc1C=Cc2cccnc2)F 271570a_100102525586_100000760547 [0,2,0,0,0,0|1,0,1]=4 20132 B17R2.5365 Nc1ccc(cc1C=Cc2cccnc2)O 271570a_100102525586_100012001276 [0,2,0,0,0,0|1,0,1]=4 20133 B17R2.5365 Nc1ccc(cc1OCc2ccccc2)Br 34a_100000739049_100015291786 [0,2,0,0,0,0|2,0,0]=4 20134 B17R2.5365 Nc1ccc(cc1OCc2ccccc2)Br 7a_100000739049_100000211182 [0,2,0,0,0,0|2,0,0]=4 20135 B17R2.5365 Nc1ccc(cc1OCc2ccccc2)Cl 34a_100000185728_100015291786 [0,2,0,0,0,0|2,0,0]=4 20136 B17R2.5365 Nc1ccc(cc1OCc2ccccc2)Cl 7a_100000185728_100000211182 [0,2,0,0,0,0|2,0,0]=4 20137 B17R2.5365 Nc1ccc(cc1OCc2ccccc2)F 34a_100000753323_100015291786 [0,2,0,0,0,0|2,0,0]=4 20138 B17R2.5365 Nc1ccc(cc1OCc2ccccc2)F 7a_100000753323_100000211182 [0,2,0,0,0,0|2,0,0]=4 20139 B17R2.5365 Nc1ccc(cc1OCc2ccccc2)I 34a_100000057187_100015291786 [0,2,0,0,0,0|2,0,0]=4 20140 B17R2.5365 Nc1ccc(cc1OCc2ccccc2)I 7a_100000057187_100000211182 [0,2,0,0,0,0|2,0,0]=4 20141 B17R2.5365 Nc1ccc(cc1OCc2cccnc2)Br 34a_100000739049_100000733263 [0,2,0,0,0,0|1,0,0]=3 20142 B17R2.5365 Nc1ccc(cc1OCc2cccnc2)Br 7a_100000739049_100000741622 [0,2,0,0,0,0|1,0,0]=3 20143 B17R2.5365 Nc1ccc(cc1OCc2cccnc2)Cl 34a_100000185728_100000733263 [0,2,0,0,0,0|1,0,0]=3 20144 B17R2.5365 Nc1ccc(cc1OCc2cccnc2)Cl 7a_100000185728_100000741622 [0,2,0,0,0,0|1,0,0]=3 20145 B17R2.5365 Nc1ccc(cc1OCc2cccnc2)F 34a_100000753323_100000733263 [0,2,0,0,0,0|1,0,0]=3 20146 B17R2.5365 Nc1ccc(cc1OCc2cccnc2)F 7a_100000753323_100000741622 [0,2,0,0,0,0|1,0,0]=3 20147 B17R2.5365 Nc1ccc(cc1OCc2cccnc2)I 34a_100000057187_100000733263 [0,2,0,0,0,0|1,0,0]=3 20148 B17R2.5365 Nc1ccc(cc1OCc2cccnc2)I 7a_100000057187_100000741622 [0,2,0,0,0,0|1,0,0]=3 20149 B17R2.5365 Nc1ccc(cc1OCc2cccnn2)Br 34a_100000739049_100016990269 [0,2,0,0,0,0|2,0,0]=4 20150 B17R2.5365 Nc1ccc(cc1OCc2cccnn2)Br 7a_100000739049_100016990269 [0,2,0,0,0,0|2,0,0]=4 20151 B17R2.5365 Nc1ccc(cc1OCc2cccnn2)Cl 34a_100000185728_100016990269 [0,2,0,0,0,0|2,0,0]=4 20152 B17R2.5365 Nc1ccc(cc1OCc2cccnn2)Cl 7a_100000185728_100016990269 [0,2,0,0,0,0|2,0,0]=4 20153 B17R2.5365 Nc1ccc(cc1OCc2cccnn2)F 34a_100000753323_100016990269 [0,2,0,0,0,0|2,0,0]=4 20154 B17R2.5365 Nc1ccc(cc1OCc2cccnn2)F 7a_100000753323_100016990269 [0,2,0,0,0,0|2,0,0]=4 20155 B17R2.5365 Nc1ccc(cc1OCc2cccnn2)I 34a_100000057187_100016990269 [0,2,0,0,0,0|2,0,0]=4 20156 B17R2.5365 Nc1ccc(cc1OCc2cccnn2)I 7a_100000057187_100016990269 [0,2,0,0,0,0|2,0,0]=4 20157 B17R2.5365 Nc1ccc(cc1OCc2cnccn2)Br 34a_100000739049_100016995436 [0,2,0,0,0,0|2,0,0]=4 20158 B17R2.5365 Nc1ccc(cc1OCc2cnccn2)Br 7a_100000739049_100016995436 [0,2,0,0,0,0|2,0,0]=4 20159 B17R2.5365 Nc1ccc(cc1OCc2cnccn2)Cl 34a_100000185728_100016995436 [0,2,0,0,0,0|2,0,0]=4 20160 B17R2.5365 Nc1ccc(cc1OCc2cnccn2)Cl 7a_100000185728_100016995436 [0,2,0,0,0,0|2,0,0]=4 20161 B17R2.5365 Nc1ccc(cc1OCc2cnccn2)F 34a_100000753323_100016995436 [0,2,0,0,0,0|2,0,0]=4 20162 B17R2.5365 Nc1ccc(cc1OCc2cnccn2)F 7a_100000753323_100016995436 [0,2,0,0,0,0|2,0,0]=4 20163 B17R2.5365 Nc1ccc(cc1OCc2cnccn2)I 34a_100000057187_100016995436 [0,2,0,0,0,0|2,0,0]=4 20164 B17R2.5365 Nc1ccc(cc1OCc2cnccn2)I 7a_100000057187_100016995436 [0,2,0,0,0,0|2,0,0]=4 20165 B17R2.5365 Nc1ccc(cc1OCc2cncnc2)Br 34a_100000739049_100015196519 [0,2,0,0,0,0|2,0,0]=4 20166 B17R2.5365 Nc1ccc(cc1OCc2cncnc2)Br 7a_100000739049_100015196519 [0,2,0,0,0,0|2,0,0]=4 20167 B17R2.5365 Nc1ccc(cc1OCc2cncnc2)Cl 34a_100000185728_100015196519 [0,2,0,0,0,0|2,0,0]=4 20168 B17R2.5365 Nc1ccc(cc1OCc2cncnc2)Cl 7a_100000185728_100015196519 [0,2,0,0,0,0|2,0,0]=4 20169 B17R2.5365 Nc1ccc(cc1OCc2cncnc2)F 34a_100000753323_100015196519 [0,2,0,0,0,0|2,0,0]=4 20170 B17R2.5365 Nc1ccc(cc1OCc2cncnc2)F 7a_100000753323_100015196519 [0,2,0,0,0,0|2,0,0]=4 20171 B17R2.5365 Nc1ccc(cc1OCc2cncnc2)I 34a_100000057187_100015196519 [0,2,0,0,0,0|2,0,0]=4 20172 B17R2.5365 Nc1ccc(cc1OCc2cncnc2)I 7a_100000057187_100015196519 [0,2,0,0,0,0|2,0,0]=4 20173 B17R2.5365 Nc1ccc(cc1SCc2ccccc2)Br 62a_100000187925_100015291786 [0,2,0,0,0,0|2,0,0]=4 20174 B17R2.5365 Nc1ccc(cc1SCc2ccccc2)Br 62a_100000211182_100000187925 [0,2,0,0,0,0|2,0,0]=4 20175 B17R2.5365 Nc1ccc(cc1SCc2ccccc2)Cl 62a_100000211182_100000761889 [0,2,0,0,0,0|2,0,0]=4 20176 B17R2.5365 Nc1ccc(cc1SCc2ccccc2)Cl 62a_100000761889_100015291786 [0,2,0,0,0,0|2,0,0]=4 20177 B17R2.5365 Nc1ccc(cc1SCc2ccccc2)F 62a_100000211182_100000760547 [0,2,0,0,0,0|2,0,0]=4 20178 B17R2.5365 Nc1ccc(cc1SCc2ccccc2)F 62a_100000760547_100015291786 [0,2,0,0,0,0|2,0,0]=4 20179 B17R2.5365 Nc1ccc(cc1SCc2ccccc2)O 62a_100000211182_100012001276 [0,2,0,0,0,0|2,0,0]=4 20180 B17R2.5365 Nc1ccc(cc1SCc2ccccc2)O 62a_100012001276_100015291786 [0,2,0,0,0,0|2,0,0]=4 20181 B17R2.5365 Nc1ccc(cc1SCc2cccnc2)Br 62a_100000187925_100000741622 [0,2,0,0,0,0|1,0,0]=3 20182 B17R2.5365 Nc1ccc(cc1SCc2cccnc2)Br 62a_100000741622_100000187925 [0,2,0,0,0,0|1,0,0]=3 20183 B17R2.5365 Nc1ccc(cc1SCc2cccnc2)Cl 62a_100000741622_100000761889 [0,2,0,0,0,0|1,0,0]=3 20184 B17R2.5365 Nc1ccc(cc1SCc2cccnc2)Cl 62a_100000761889_100000741622 [0,2,0,0,0,0|1,0,0]=3 20185 B17R2.5365 Nc1ccc(cc1SCc2cccnc2)F 62a_100000741622_100000760547 [0,2,0,0,0,0|1,0,0]=3 20186 B17R2.5365 Nc1ccc(cc1SCc2cccnc2)F 62a_100000760547_100000741622 [0,2,0,0,0,0|1,0,0]=3 20187 B17R2.5365 Nc1ccc(cc1SCc2cccnc2)O 62a_100000741622_100012001276 [0,2,0,0,0,0|1,0,0]=3 20188 B17R2.5365 Nc1ccc(cc1SCc2cccnc2)O 62a_100012001276_100000741622 [0,2,0,0,0,0|1,0,0]=3 20189 B17R2.5365 Nc1ccc(cc1SCc2cccnn2)Br 62a_100000187925_100016990269 [0,2,0,0,0,0|2,0,0]=4 20190 B17R2.5365 Nc1ccc(cc1SCc2cccnn2)Br 62a_100016990269_100000187925 [0,2,0,0,0,0|2,0,0]=4 20191 B17R2.5365 Nc1ccc(cc1SCc2cccnn2)Cl 62a_100000761889_100016990269 [0,2,0,0,0,0|2,0,0]=4 20192 B17R2.5365 Nc1ccc(cc1SCc2cccnn2)Cl 62a_100016990269_100000761889 [0,2,0,0,0,0|2,0,0]=4 20193 B17R2.5365 Nc1ccc(cc1SCc2cccnn2)F 62a_100000760547_100016990269 [0,2,0,0,0,0|2,0,0]=4 20194 B17R2.5365 Nc1ccc(cc1SCc2cccnn2)F 62a_100016990269_100000760547 [0,2,0,0,0,0|2,0,0]=4 20195 B17R2.5365 Nc1ccc(cc1SCc2cccnn2)O 62a_100012001276_100016990269 [0,2,0,0,0,0|2,0,0]=4 20196 B17R2.5365 Nc1ccc(cc1SCc2cccnn2)O 62a_100016990269_100012001276 [0,2,0,0,0,0|2,0,0]=4 20197 B17R2.5365 Nc1ccc(cc1SCc2cnccn2)Br 62a_100000187925_100016995436 [0,2,0,0,0,0|2,0,0]=4 20198 B17R2.5365 Nc1ccc(cc1SCc2cnccn2)Br 62a_100016995436_100000187925 [0,2,0,0,0,0|2,0,0]=4 20199 B17R2.5365 Nc1ccc(cc1SCc2cnccn2)Cl 62a_100000761889_100016995436 [0,2,0,0,0,0|2,0,0]=4 20200 B17R2.5365 Nc1ccc(cc1SCc2cnccn2)Cl 62a_100016995436_100000761889 [0,2,0,0,0,0|2,0,0]=4 20201 B17R2.5365 Nc1ccc(cc1SCc2cnccn2)F 62a_100000760547_100016995436 [0,2,0,0,0,0|2,0,0]=4 20202 B17R2.5365 Nc1ccc(cc1SCc2cnccn2)F 62a_100016995436_100000760547 [0,2,0,0,0,0|2,0,0]=4 20203 B17R2.5365 Nc1ccc(cc1SCc2cnccn2)O 62a_100012001276_100016995436 [0,2,0,0,0,0|2,0,0]=4 20204 B17R2.5365 Nc1ccc(cc1SCc2cnccn2)O 62a_100016995436_100012001276 [0,2,0,0,0,0|2,0,0]=4 20205 B17R2.5365 Nc1ccc(cc1SCc2cncnc2)Br 62a_100000187925_100015196519 [0,2,0,0,0,0|2,0,0]=4 20206 B17R2.5365 Nc1ccc(cc1SCc2cncnc2)Br 62a_100015196519_100000187925 [0,2,0,0,0,0|2,0,0]=4 20207 B17R2.5365 Nc1ccc(cc1SCc2cncnc2)Cl 62a_100000761889_100015196519 [0,2,0,0,0,0|2,0,0]=4 20208 B17R2.5365 Nc1ccc(cc1SCc2cncnc2)Cl 62a_100015196519_100000761889 [0,2,0,0,0,0|2,0,0]=4 20209 B17R2.5365 Nc1ccc(cc1SCc2cncnc2)F 62a_100000760547_100015196519 [0,2,0,0,0,0|2,0,0]=4 20210 B17R2.5365 Nc1ccc(cc1SCc2cncnc2)F 62a_100015196519_100000760547 [0,2,0,0,0,0|2,0,0]=4 20211 B17R2.5365 Nc1ccc(cc1SCc2cncnc2)O 62a_100012001276_100015196519 [0,2,0,0,0,0|2,0,0]=4 20212 B17R2.5365 Nc1ccc(cc1SCc2cncnc2)O 62a_100015196519_100012001276 [0,2,0,0,0,0|2,0,0]=4 20213 B17R2.5365 Nc1ccc(nc1NCc2ccccc2)F 27a_100015324214_100009879877 [0,2,0,0,0,0|2,0,0]=4 20214 B17R2.5365 Nc1ccc(nc1NCc2cccnc2)F 27a_100000210453_100009879877 [0,2,0,0,0,0|1,0,0]=3 20215 B17R2.5365 Nc1ccc(nc1NCc2cccnn2)F 27a_100159270163_100009879877 [0,2,0,0,0,0|2,0,0]=4 20216 B17R2.5365 Nc1ccc(nc1NCc2cnccn2)F 27a_100000737960_100009879877 [0,2,0,0,0,0|2,0,0]=4 20217 B17R2.5365 Nc1ccc(nc1NCc2cncnc2)F 27a_100011243677_100009879877 [0,2,0,0,0,0|2,0,0]=4 20218 B17R2.5365 Nc1ccc(nc1SCc2cccnc2)Br 62a_100000741622_100010168765 [0,2,0,0,0,0|2,0,0]=4 20219 B17R2.5365 Nc1ccc(nc1SCc2cccnc2)Br 62a_100010168765_100000741622 [0,2,0,0,0,0|2,0,0]=4 20220 B17R2.5365 Nc1ccc(nc1SCc2cccnc2)Cl 62a_100000741622_100010233647 [0,2,0,0,0,0|2,0,0]=4 20221 B17R2.5365 Nc1ccc(nc1SCc2cccnc2)Cl 62a_100010233647_100000741622 [0,2,0,0,0,0|2,0,0]=4 20222 B17R2.5365 Nc1ccc(nc1SCc2cccnc2)F 62a_100000741622_100009879877 [0,2,0,0,0,0|2,0,0]=4 20223 B17R2.5365 Nc1ccc(nc1SCc2cccnc2)F 62a_100009879877_100000741622 [0,2,0,0,0,0|2,0,0]=4 20224 B17R2.5365 Nc1cnc(c(c1)C#Cc2ccccc2)Br 271570a_100000069678_100010201102 [0,2,0,0,0,0|1,0,1]=4 20225 B17R2.5365 Nc1cnc(c(c1)C#Cc2ccccc2)Cl 271570a_100000069678_100010253917 [0,2,0,0,0,0|1,0,1]=4 20226 B17R2.5365 Nc1cnc(c(c1)C#Cc2ccccc2)F 271570a_100000069678_100009840397 [0,2,0,0,0,0|1,0,1]=4 20227 B17R2.5365 Nc1cnc(c(c1)C#Cc2ccccc2)N 271570a_100000069678_200011934315 [0,2,0,0,0,0|1,0,1]=4 20228 B17R2.5365 Nc1cnc(c(c1)C=Cc2ccccc2)Br 271570a_100102527694_100010201102 [0,2,0,0,0,0|1,0,1]=4 20229 B17R2.5365 Nc1cnc(c(c1)C=Cc2ccccc2)Cl 271570a_100102527694_100010253917 [0,2,0,0,0,0|1,0,1]=4 20230 B17R2.5365 Nc1cnc(c(c1)C=Cc2ccccc2)F 271570a_100102527694_100009840397 [0,2,0,0,0,0|1,0,1]=4 20231 B17R2.5365 Nc1cnc(c(c1)C=Cc2ccccc2)N 271570a_100102527694_200011934315 [0,2,0,0,0,0|1,0,1]=4 20232 B17R2.5365 Nc1cnc(c(c1)SCc2ccccc2)Br 62a_100000211182_100010201102 [0,2,0,0,0,0|2,0,0]=4 20233 B17R2.5365 Nc1cnc(c(c1)SCc2ccccc2)Br 62a_100010201102_100015291786 [0,2,0,0,0,0|2,0,0]=4 20234 B17R2.5365 Nc1cnc(c(c1)SCc2ccccc2)Cl 62a_100000211182_100010253917 [0,2,0,0,0,0|2,0,0]=4 20235 B17R2.5365 Nc1cnc(c(c1)SCc2ccccc2)Cl 62a_100010253917_100015291786 [0,2,0,0,0,0|2,0,0]=4 20236 B17R2.5365 Nc1cnc(c(c1)SCc2ccccc2)F 62a_100000211182_100009840397 [0,2,0,0,0,0|2,0,0]=4 20237 B17R2.5365 Nc1cnc(c(c1)SCc2ccccc2)F 62a_100009840397_100015291786 [0,2,0,0,0,0|2,0,0]=4 20238 B17R2.5365 Nc1cnc(c(c1)SCc2ccccc2)N 62a_100000211182_200011934315 [0,2,0,0,0,0|2,0,0]=4 20239 B17R2.5365 Nc1cnc(c(c1)SCc2ccccc2)N 62a_200011934315_100015291786 [0,2,0,0,0,0|2,0,0]=4 20240 B17R2.5365 Nc1cnc(c(c1)SCc2cccnc2)Br 62a_100000741622_100010201102 [0,2,0,0,0,0|2,0,0]=4 20241 B17R2.5365 Nc1cnc(c(c1)SCc2cccnc2)Br 62a_100010201102_100000741622 [0,2,0,0,0,0|2,0,0]=4 20242 B17R2.5365 Nc1cnc(c(c1)SCc2cccnc2)Cl 62a_100000741622_100010253917 [0,2,0,0,0,0|2,0,0]=4 20243 B17R2.5365 Nc1cnc(c(c1)SCc2cccnc2)Cl 62a_100010253917_100000741622 [0,2,0,0,0,0|2,0,0]=4 20244 B17R2.5365 Nc1cnc(c(c1)SCc2cccnc2)F 62a_100000741622_100009840397 [0,2,0,0,0,0|2,0,0]=4 20245 B17R2.5365 Nc1cnc(c(c1)SCc2cccnc2)F 62a_100009840397_100000741622 [0,2,0,0,0,0|2,0,0]=4 20246 B17R2.5365 Nc1cnc(c(c1)SCc2cccnc2)N 62a_100000741622_200011934315 [0,2,0,0,0,0|2,0,0]=4 20247 B17R2.5365 Nc1cnc(c(c1)SCc2cccnc2)N 62a_200011934315_100000741622 [0,2,0,0,0,0|2,0,0]=4 20248 B17R2.5365 Nc1cnc(cc1SCc2cccnc2)Cl 62a_100000050123_100000741622 [0,2,0,0,0,0|2,0,0]=4 20249 B17R2.5365 Nc1cnc(cc1SCc2cccnc2)Cl 62a_100000741622_100000050123 [0,2,0,0,0,0|2,0,0]=4 20250 B17R2.5365 Nc1ncc(c(n1)NCc2cccnc2)F 27a_100000210453_200000093006 [0,2,0,0,0,0|2,0,0]=4 20251 B17R2.5365 Nc1ncc(cc1C#Cc2ccccc2)Br 271570a_100000069678_100000760472 [0,2,0,0,0,0|1,0,1]=4 20252 B17R2.5365 Nc1ncc(cc1C#Cc2ccccc2)Cl 271570a_100000069678_100000050159 [0,2,0,0,0,0|1,0,1]=4 20253 B17R2.5365 Nc1ncc(cc1C#Cc2ccccc2)F 271570a_100000069678_100009814671 [0,2,0,0,0,0|1,0,1]=4 20254 B17R2.5365 Nc1ncc(cc1C=Cc2ccccc2)Br 271570a_100102527694_100000760472 [0,2,0,0,0,0|1,0,1]=4 20255 B17R2.5365 Nc1ncc(cc1C=Cc2ccccc2)Cl 271570a_100102527694_100000050159 [0,2,0,0,0,0|1,0,1]=4 20256 B17R2.5365 Nc1ncc(cc1C=Cc2ccccc2)F 271570a_100102527694_100009814671 [0,2,0,0,0,0|1,0,1]=4 20257 B17R2.5365 Nc1ncc(cc1OCc2ccccc2)Br 34a_100009819042_100015291786 [0,2,0,0,0,0|2,0,0]=4 20258 B17R2.5365 Nc1ncc(cc1OCc2ccccc2)Br 7a_100009819042_100000211182 [0,2,0,0,0,0|2,0,0]=4 20259 B17R2.5365 Nc1ncc(cc1OCc2ccccc2)Cl 34a_100000123674_100015291786 [0,2,0,0,0,0|2,0,0]=4 20260 B17R2.5365 Nc1ncc(cc1OCc2ccccc2)Cl 7a_100000123674_100000211182 [0,2,0,0,0,0|2,0,0]=4 20261 B17R2.5365 Nc1ncc(cc1OCc2ccccc2)F 34a_100000094369_100015291786 [0,2,0,0,0,0|2,0,0]=4 20262 B17R2.5365 Nc1ncc(cc1OCc2ccccc2)F 7a_100000094369_100000211182 [0,2,0,0,0,0|2,0,0]=4 20263 B17R2.5365 Nc1ncc(cc1OCc2ccccc2)O 271570a_203496583355_100010235692 [0,2,0,0,0,0|2,0,0]=4 20264 B17R2.5365 Nc1ncc(cc1OCc2cccnc2)Br 34a_100009819042_100000733263 [0,2,0,0,0,0|2,0,0]=4 20265 B17R2.5365 Nc1ncc(cc1OCc2cccnc2)Br 7a_100009819042_100000741622 [0,2,0,0,0,0|2,0,0]=4 20266 B17R2.5365 Nc1ncc(cc1OCc2cccnc2)Cl 34a_100000123674_100000733263 [0,2,0,0,0,0|2,0,0]=4 20267 B17R2.5365 Nc1ncc(cc1OCc2cccnc2)Cl 7a_100000123674_100000741622 [0,2,0,0,0,0|2,0,0]=4 20268 B17R2.5365 Nc1ncc(cc1OCc2cccnc2)F 34a_100000094369_100000733263 [0,2,0,0,0,0|2,0,0]=4 20269 B17R2.5365 Nc1ncc(cc1OCc2cccnc2)F 7a_100000094369_100000741622 [0,2,0,0,0,0|2,0,0]=4 20270 B17R2.5365 Nc1ncc(cc1SCc2ccccc2)Br 62a_100000211182_100000760472 [0,2,0,0,0,0|2,0,0]=4 20271 B17R2.5365 Nc1ncc(cc1SCc2ccccc2)Br 62a_100000760472_100015291786 [0,2,0,0,0,0|2,0,0]=4 20272 B17R2.5365 Nc1ncc(cc1SCc2ccccc2)Cl 62a_100000050159_100015291786 [0,2,0,0,0,0|2,0,0]=4 20273 B17R2.5365 Nc1ncc(cc1SCc2ccccc2)Cl 62a_100000211182_100000050159 [0,2,0,0,0,0|2,0,0]=4 20274 B17R2.5365 Nc1ncc(cc1SCc2ccccc2)F 62a_100000211182_100009814671 [0,2,0,0,0,0|2,0,0]=4 20275 B17R2.5365 Nc1ncc(cc1SCc2ccccc2)F 62a_100009814671_100015291786 [0,2,0,0,0,0|2,0,0]=4 20276 B17R2.5365 Nc1ncc(cc1SCc2cccnc2)Br 62a_100000741622_100000760472 [0,2,0,0,0,0|2,0,0]=4 20277 B17R2.5365 Nc1ncc(cc1SCc2cccnc2)Br 62a_100000760472_100000741622 [0,2,0,0,0,0|2,0,0]=4 20278 B17R2.5365 Nc1ncc(cc1SCc2cccnc2)Cl 62a_100000050159_100000741622 [0,2,0,0,0,0|2,0,0]=4 20279 B17R2.5365 Nc1ncc(cc1SCc2cccnc2)Cl 62a_100000741622_100000050159 [0,2,0,0,0,0|2,0,0]=4 20280 B17R2.5365 Nc1ncc(cc1SCc2cccnc2)F 62a_100000741622_100009814671 [0,2,0,0,0,0|2,0,0]=4 20281 B17R2.5365 Nc1ncc(cc1SCc2cccnc2)F 62a_100009814671_100000741622 [0,2,0,0,0,0|2,0,0]=4 20282 B17R2.5365 O=c1[nH]cc(cc1CNc2ccccc2)F 207a_100000106764_100000137007 [0,2,0,0,0,0|0,0,1]=3 20283 B17R2.5365 O=c1[nH]cc(cc1SCc2cccnc2)F 62a_100000741622_100009817720 [0,2,0,0,0,0|2,0,0]=4 20284 B17R2.5365 O=c1[nH]cc(cc1SCc2cccnc2)F 62a_100009817720_100000741622 [0,2,0,0,0,0|2,0,0]=4 20285 B17R2.5365 O=c1cc(c(c[nH]1)Cl)OCc2cccnc2 34a_100000069390_100000733263 [0,2,0,0,0,0|2,0,0]=4 20286 B17R2.5365 O=c1cc(c(c[nH]1)F)SCc2cccnc2 62a_100000741622_100009817642 [0,2,0,0,0,0|2,0,0]=4 20287 B17R2.5365 O=c1cc(c(c[nH]1)F)SCc2cccnc2 62a_100009817642_100000741622 [0,2,0,0,0,0|2,0,0]=4 20288 B17R2.5365 Oc1ccc(c(c1)C=Cc2cccnc2)Br 271570a_100102525586_100012339312 [0,2,0,0,0,0|1,0,1]=4 20289 B17R2.5365 Oc1ccc(c(c1)C=Cc2cccnc2)Cl 271570a_100102525586_100000049588 [0,2,0,0,0,0|1,0,1]=4 20290 B17R2.5365 Oc1ccc(c(c1)C=Cc2cccnc2)F 271570a_100102525586_100000693481 [0,2,0,0,0,0|1,0,1]=4 20291 B17R2.5365 Oc1ccc(c(c1)C=Cc2cccnc2)O 271570a_100102525586_100009813629 [0,2,0,0,0,0|1,0,1]=4 20292 B17R2.5365 Oc1ccc(c(c1)NCc2ccccc2)Br 34a_100011999798_100015291786 [0,2,0,0,0,0|1,0,0]=3 20293 B17R2.5365 Oc1ccc(c(c1)NCc2ccccc2)Cl 34a_100011934297_100015291786 [0,2,0,0,0,0|1,0,0]=3 20294 B17R2.5365 Oc1ccc(c(c1)NCc2ccccc2)F 270302a_100012017239_100015611070 [0,2,0,0,0,0|1,0,0]=3 20295 B17R2.5365 Oc1ccc(c(c1)NCc2ccccc2)F 34a_100012017239_100015291786 [0,2,0,0,0,0|1,0,0]=3 20296 B17R2.5365 Oc1ccc(c(c1)NCc2ccccn2)Br 34a_100011999798_100000721315 [0,2,0,0,0,0|2,0,0]=4 20297 B17R2.5365 Oc1ccc(c(c1)NCc2ccccn2)Cl 34a_100011934297_100000721315 [0,2,0,0,0,0|2,0,0]=4 20298 B17R2.5365 Oc1ccc(c(c1)NCc2ccccn2)F 270302a_100012017239_100000209966 [0,2,0,0,0,0|2,0,0]=4 20299 B17R2.5365 Oc1ccc(c(c1)NCc2ccccn2)F 34a_100012017239_100000721315 [0,2,0,0,0,0|2,0,0]=4 20300 B17R2.5365 Oc1ccc(c(c1)NCc2cccnc2)Br 34a_100011999798_100000733263 [0,2,0,0,0,0|0,0,0]=2 20301 B17R2.5365 Oc1ccc(c(c1)NCc2cccnc2)Cl 34a_100011934297_100000733263 [0,2,0,0,0,0|0,0,0]=2 20302 B17R2.5365 Oc1ccc(c(c1)NCc2cccnc2)F 270302a_100012017239_100000209961 [0,2,0,0,0,0|0,0,0]=2 20303 B17R2.5365 Oc1ccc(c(c1)NCc2cccnc2)F 34a_100012017239_100000733263 [0,2,0,0,0,0|0,0,0]=2 20304 B17R2.5365 Oc1ccc(c(c1)NCc2cccnn2)Br 34a_100011999798_100016990269 [0,2,0,0,0,0|1,0,0]=3 20305 B17R2.5365 Oc1ccc(c(c1)NCc2cccnn2)Cl 34a_100011934297_100016990269 [0,2,0,0,0,0|1,0,0]=3 20306 B17R2.5365 Oc1ccc(c(c1)NCc2cccnn2)F 34a_100012017239_100016990269 [0,2,0,0,0,0|1,0,0]=3 20307 B17R2.5365 Oc1ccc(c(c1)NCc2ccnnc2)F 270302a_100012017239_100011934578 [0,2,0,0,0,0|1,0,0]=3 20308 B17R2.5365 Oc1ccc(c(c1)NCc2cnccn2)Br 34a_100011999798_100016995436 [0,2,0,0,0,0|1,0,0]=3 20309 B17R2.5365 Oc1ccc(c(c1)NCc2cnccn2)Cl 34a_100011934297_100016995436 [0,2,0,0,0,0|1,0,0]=3 20310 B17R2.5365 Oc1ccc(c(c1)NCc2cnccn2)F 34a_100012017239_100016995436 [0,2,0,0,0,0|1,0,0]=3 20311 B17R2.5365 Oc1ccc(c(c1)NCc2cncnc2)Br 34a_100011999798_100015196519 [0,2,0,0,0,0|1,0,0]=3 20312 B17R2.5365 Oc1ccc(c(c1)NCc2cncnc2)Cl 34a_100011934297_100015196519 [0,2,0,0,0,0|1,0,0]=3 20313 B17R2.5365 Oc1ccc(c(c1)NCc2cncnc2)F 270302a_100012017239_100000749868 [0,2,0,0,0,0|1,0,0]=3 20314 B17R2.5365 Oc1ccc(c(c1)NCc2cncnc2)F 34a_100012017239_100015196519 [0,2,0,0,0,0|1,0,0]=3 20315 B17R2.5365 Oc1ccc(c(c1)OCc2ccccc2)F 271570a_203496583355_100012360525 [0,2,0,0,0,0|2,0,0]=4 20316 B17R2.5365 Oc1ccc(c(c1)OCc2ccccc2)O 271570a_203496583355_100010157380 [0,2,0,0,0,0|2,0,0]=4 20317 B17R2.5365 Oc1ccc(c(c1)SCc2ccccc2)Br 62a_100000211182_100012339312 [0,2,0,0,0,0|2,0,0]=4 20318 B17R2.5365 Oc1ccc(c(c1)SCc2ccccc2)Br 62a_100012339312_100015291786 [0,2,0,0,0,0|2,0,0]=4 20319 B17R2.5365 Oc1ccc(c(c1)SCc2ccccc2)Cl 62a_100000049588_100015291786 [0,2,0,0,0,0|2,0,0]=4 20320 B17R2.5365 Oc1ccc(c(c1)SCc2ccccc2)Cl 62a_100000211182_100000049588 [0,2,0,0,0,0|2,0,0]=4 20321 B17R2.5365 Oc1ccc(c(c1)SCc2ccccc2)F 62a_100000211182_100000693481 [0,2,0,0,0,0|2,0,0]=4 20322 B17R2.5365 Oc1ccc(c(c1)SCc2ccccc2)F 62a_100000693481_100015291786 [0,2,0,0,0,0|2,0,0]=4 20323 B17R2.5365 Oc1ccc(c(c1)SCc2ccccc2)O 62a_100000211182_100009813629 [0,2,0,0,0,0|2,0,0]=4 20324 B17R2.5365 Oc1ccc(c(c1)SCc2cccnc2)Br 62a_100000741622_100012339312 [0,2,0,0,0,0|1,0,0]=3 20325 B17R2.5365 Oc1ccc(c(c1)SCc2cccnc2)Br 62a_100012339312_100000741622 [0,2,0,0,0,0|1,0,0]=3 20326 B17R2.5365 Oc1ccc(c(c1)SCc2cccnc2)Cl 62a_100000049588_100000741622 [0,2,0,0,0,0|1,0,0]=3 20327 B17R2.5365 Oc1ccc(c(c1)SCc2cccnc2)Cl 62a_100000741622_100000049588 [0,2,0,0,0,0|1,0,0]=3 20328 B17R2.5365 Oc1ccc(c(c1)SCc2cccnc2)F 62a_100000693481_100000741622 [0,2,0,0,0,0|1,0,0]=3 20329 B17R2.5365 Oc1ccc(c(c1)SCc2cccnc2)F 62a_100000741622_100000693481 [0,2,0,0,0,0|1,0,0]=3 20330 B17R2.5365 Oc1ccc(c(c1)SCc2cccnc2)O 62a_100000741622_100009813629 [0,2,0,0,0,0|1,0,0]=3 20331 B17R2.5365 Oc1ccc(c(c1)SCc2cccnn2)Br 62a_100012339312_100016990269 [0,2,0,0,0,0|2,0,0]=4 20332 B17R2.5365 Oc1ccc(c(c1)SCc2cccnn2)Br 62a_100016990269_100012339312 [0,2,0,0,0,0|2,0,0]=4 20333 B17R2.5365 Oc1ccc(c(c1)SCc2cccnn2)Cl 62a_100000049588_100016990269 [0,2,0,0,0,0|2,0,0]=4 20334 B17R2.5365 Oc1ccc(c(c1)SCc2cccnn2)Cl 62a_100016990269_100000049588 [0,2,0,0,0,0|2,0,0]=4 20335 B17R2.5365 Oc1ccc(c(c1)SCc2cccnn2)F 62a_100000693481_100016990269 [0,2,0,0,0,0|2,0,0]=4 20336 B17R2.5365 Oc1ccc(c(c1)SCc2cccnn2)F 62a_100016990269_100000693481 [0,2,0,0,0,0|2,0,0]=4 20337 B17R2.5365 Oc1ccc(c(c1)SCc2cccnn2)O 62a_100016990269_100009813629 [0,2,0,0,0,0|2,0,0]=4 20338 B17R2.5365 Oc1ccc(c(c1)SCc2cnccn2)Br 62a_100012339312_100016995436 [0,2,0,0,0,0|2,0,0]=4 20339 B17R2.5365 Oc1ccc(c(c1)SCc2cnccn2)Br 62a_100016995436_100012339312 [0,2,0,0,0,0|2,0,0]=4 20340 B17R2.5365 Oc1ccc(c(c1)SCc2cnccn2)Cl 62a_100000049588_100016995436 [0,2,0,0,0,0|2,0,0]=4 20341 B17R2.5365 Oc1ccc(c(c1)SCc2cnccn2)Cl 62a_100016995436_100000049588 [0,2,0,0,0,0|2,0,0]=4 20342 B17R2.5365 Oc1ccc(c(c1)SCc2cnccn2)F 62a_100000693481_100016995436 [0,2,0,0,0,0|2,0,0]=4 20343 B17R2.5365 Oc1ccc(c(c1)SCc2cnccn2)F 62a_100016995436_100000693481 [0,2,0,0,0,0|2,0,0]=4 20344 B17R2.5365 Oc1ccc(c(c1)SCc2cnccn2)O 62a_100016995436_100009813629 [0,2,0,0,0,0|2,0,0]=4 20345 B17R2.5365 Oc1ccc(c(c1)SCc2cncnc2)Br 62a_100012339312_100015196519 [0,2,0,0,0,0|2,0,0]=4 20346 B17R2.5365 Oc1ccc(c(c1)SCc2cncnc2)Br 62a_100015196519_100012339312 [0,2,0,0,0,0|2,0,0]=4 20347 B17R2.5365 Oc1ccc(c(c1)SCc2cncnc2)Cl 62a_100000049588_100015196519 [0,2,0,0,0,0|2,0,0]=4 20348 B17R2.5365 Oc1ccc(c(c1)SCc2cncnc2)Cl 62a_100015196519_100000049588 [0,2,0,0,0,0|2,0,0]=4 20349 B17R2.5365 Oc1ccc(c(c1)SCc2cncnc2)F 62a_100000693481_100015196519 [0,2,0,0,0,0|2,0,0]=4 20350 B17R2.5365 Oc1ccc(c(c1)SCc2cncnc2)F 62a_100015196519_100000693481 [0,2,0,0,0,0|2,0,0]=4 20351 B17R2.5365 Oc1ccc(c(c1)SCc2cncnc2)O 62a_100015196519_100009813629 [0,2,0,0,0,0|2,0,0]=4 20352 B17R2.5365 Oc1ccc(cc1C=Cc2cccnc2)Br 271570a_100102525586_100012355227 [0,2,0,0,0,0|1,0,1]=4 20353 B17R2.5365 Oc1ccc(cc1C=Cc2cccnc2)Cl 271570a_100102525586_100011356953 [0,2,0,0,0,0|1,0,1]=4 20354 B17R2.5365 Oc1ccc(cc1C=Cc2cccnc2)F 271570a_100102525586_100000211999 [0,2,0,0,0,0|1,0,1]=4 20355 B17R2.5365 Oc1ccc(cc1CNc2ccccc2)F 34a_100000106764_100010161318 [0,2,0,0,0,0|1,0,0]=3 20356 B17R2.5365 Oc1ccc(cc1COc2ccccc2)F 34a_100000210340_100010161318 [0,2,0,0,0,0|2,0,0]=4 20357 B17R2.5365 Oc1ccc(cc1COc2ccccc2)F 7a_100000210340_100010161318 [0,2,0,0,0,0|2,0,0]=4 20358 B17R2.5365 Oc1ccc(cc1COc2cccnc2)F 34a_100000210849_100010161318 [0,2,0,0,0,0|2,0,0]=4 20359 B17R2.5365 Oc1ccc(cc1COc2cccnc2)F 7a_100000210849_100010161318 [0,2,0,0,0,0|2,0,0]=4 20360 B17R2.5365 Oc1ccc(cc1CSc2ccccc2)F 62a_100000719477_100010161318 [0,2,0,0,0,0|2,0,0]=4 20361 B17R2.5365 Oc1ccc(cc1CSc2ccccc2)F 62a_100010161318_100000041952 [0,2,0,0,0,0|2,0,0]=4 20362 B17R2.5365 Oc1ccc(cc1CSc2cccnc2)F 62a_100000210063_100010161318 [0,2,0,0,0,0|2,0,0]=4 20363 B17R2.5365 Oc1ccc(cc1CSc2cccnc2)F 62a_100010161318_100000210063 [0,2,0,0,0,0|2,0,0]=4 20364 B17R2.5365 Oc1ccc(cc1NCc2ccccc2)Br 34a_100000752626_100015291786 [0,2,0,0,0,0|1,0,0]=3 20365 B17R2.5365 Oc1ccc(cc1NCc2ccccc2)Cl 34a_100000210500_100015291786 [0,2,0,0,0,0|1,0,0]=3 20366 B17R2.5365 Oc1ccc(cc1NCc2ccccc2)F 34a_100000759472_100015291786 [0,2,0,0,0,0|1,0,0]=3 20367 B17R2.5365 Oc1ccc(cc1NCc2ccccn2)Br 34a_100000752626_100000721315 [0,2,0,0,0,0|2,0,0]=4 20368 B17R2.5365 Oc1ccc(cc1NCc2ccccn2)Cl 34a_100000210500_100000721315 [0,2,0,0,0,0|2,0,0]=4 20369 B17R2.5365 Oc1ccc(cc1NCc2ccccn2)F 34a_100000759472_100000721315 [0,2,0,0,0,0|2,0,0]=4 20370 B17R2.5365 Oc1ccc(cc1NCc2cccnc2)Br 34a_100000752626_100000733263 [0,2,0,0,0,0|0,0,0]=2 20371 B17R2.5365 Oc1ccc(cc1NCc2cccnc2)Cl 34a_100000210500_100000733263 [0,2,0,0,0,0|0,0,0]=2 20372 B17R2.5365 Oc1ccc(cc1NCc2cccnc2)F 34a_100000759472_100000733263 [0,2,0,0,0,0|0,0,0]=2 20373 B17R2.5365 Oc1ccc(cc1NCc2cccnn2)Br 34a_100000752626_100016990269 [0,2,0,0,0,0|1,0,0]=3 20374 B17R2.5365 Oc1ccc(cc1NCc2cccnn2)Cl 34a_100000210500_100016990269 [0,2,0,0,0,0|1,0,0]=3 20375 B17R2.5365 Oc1ccc(cc1NCc2cccnn2)F 34a_100000759472_100016990269 [0,2,0,0,0,0|1,0,0]=3 20376 B17R2.5365 Oc1ccc(cc1NCc2cnccn2)Br 34a_100000752626_100016995436 [0,2,0,0,0,0|1,0,0]=3 20377 B17R2.5365 Oc1ccc(cc1NCc2cnccn2)Cl 34a_100000210500_100016995436 [0,2,0,0,0,0|1,0,0]=3 20378 B17R2.5365 Oc1ccc(cc1NCc2cnccn2)F 34a_100000759472_100016995436 [0,2,0,0,0,0|1,0,0]=3 20379 B17R2.5365 Oc1ccc(cc1NCc2cncnc2)Br 34a_100000752626_100015196519 [0,2,0,0,0,0|1,0,0]=3 20380 B17R2.5365 Oc1ccc(cc1NCc2cncnc2)Cl 34a_100000210500_100015196519 [0,2,0,0,0,0|1,0,0]=3 20381 B17R2.5365 Oc1ccc(cc1NCc2cncnc2)F 34a_100000759472_100015196519 [0,2,0,0,0,0|1,0,0]=3 20382 B17R2.5365 Oc1ccc(cc1OCc2ccccc2)F 271570a_203496583355_100012355265 [0,2,0,0,0,0|2,0,0]=4 20383 B17R2.5365 Oc1ccc(cc1SCc2ccccc2)Br 62a_100000211182_100012355227 [0,2,0,0,0,0|2,0,0]=4 20384 B17R2.5365 Oc1ccc(cc1SCc2ccccc2)Br 62a_100012355227_100015291786 [0,2,0,0,0,0|2,0,0]=4 20385 B17R2.5365 Oc1ccc(cc1SCc2ccccc2)Cl 62a_100000211182_100011356953 [0,2,0,0,0,0|2,0,0]=4 20386 B17R2.5365 Oc1ccc(cc1SCc2ccccc2)Cl 62a_100011356953_100015291786 [0,2,0,0,0,0|2,0,0]=4 20387 B17R2.5365 Oc1ccc(cc1SCc2ccccc2)F 62a_100000211182_100000211999 [0,2,0,0,0,0|2,0,0]=4 20388 B17R2.5365 Oc1ccc(cc1SCc2ccccc2)F 62a_100000211999_100015291786 [0,2,0,0,0,0|2,0,0]=4 20389 B17R2.5365 Oc1ccc(cc1SCc2cccnc2)Br 62a_100000741622_100012355227 [0,2,0,0,0,0|1,0,0]=3 20390 B17R2.5365 Oc1ccc(cc1SCc2cccnc2)Br 62a_100012355227_100000741622 [0,2,0,0,0,0|1,0,0]=3 20391 B17R2.5365 Oc1ccc(cc1SCc2cccnc2)Cl 62a_100000741622_100011356953 [0,2,0,0,0,0|1,0,0]=3 20392 B17R2.5365 Oc1ccc(cc1SCc2cccnc2)Cl 62a_100011356953_100000741622 [0,2,0,0,0,0|1,0,0]=3 20393 B17R2.5365 Oc1ccc(cc1SCc2cccnc2)F 62a_100000211999_100000741622 [0,2,0,0,0,0|1,0,0]=3 20394 B17R2.5365 Oc1ccc(cc1SCc2cccnc2)F 62a_100000741622_100000211999 [0,2,0,0,0,0|1,0,0]=3 20395 B17R2.5365 Oc1ccc(cc1SCc2cccnn2)Br 62a_100012355227_100016990269 [0,2,0,0,0,0|2,0,0]=4 20396 B17R2.5365 Oc1ccc(cc1SCc2cccnn2)Br 62a_100016990269_100012355227 [0,2,0,0,0,0|2,0,0]=4 20397 B17R2.5365 Oc1ccc(cc1SCc2cccnn2)Cl 62a_100011356953_100016990269 [0,2,0,0,0,0|2,0,0]=4 20398 B17R2.5365 Oc1ccc(cc1SCc2cccnn2)Cl 62a_100016990269_100011356953 [0,2,0,0,0,0|2,0,0]=4 20399 B17R2.5365 Oc1ccc(cc1SCc2cccnn2)F 62a_100000211999_100016990269 [0,2,0,0,0,0|2,0,0]=4 20400 B17R2.5365 Oc1ccc(cc1SCc2cccnn2)F 62a_100016990269_100000211999 [0,2,0,0,0,0|2,0,0]=4 20401 B17R2.5365 Oc1ccc(cc1SCc2cnccn2)Br 62a_100012355227_100016995436 [0,2,0,0,0,0|2,0,0]=4 20402 B17R2.5365 Oc1ccc(cc1SCc2cnccn2)Br 62a_100016995436_100012355227 [0,2,0,0,0,0|2,0,0]=4 20403 B17R2.5365 Oc1ccc(cc1SCc2cnccn2)Cl 62a_100011356953_100016995436 [0,2,0,0,0,0|2,0,0]=4 20404 B17R2.5365 Oc1ccc(cc1SCc2cnccn2)Cl 62a_100016995436_100011356953 [0,2,0,0,0,0|2,0,0]=4 20405 B17R2.5365 Oc1ccc(cc1SCc2cnccn2)F 62a_100000211999_100016995436 [0,2,0,0,0,0|2,0,0]=4 20406 B17R2.5365 Oc1ccc(cc1SCc2cnccn2)F 62a_100016995436_100000211999 [0,2,0,0,0,0|2,0,0]=4 20407 B17R2.5365 Oc1ccc(cc1SCc2cncnc2)Br 62a_100012355227_100015196519 [0,2,0,0,0,0|2,0,0]=4 20408 B17R2.5365 Oc1ccc(cc1SCc2cncnc2)Br 62a_100015196519_100012355227 [0,2,0,0,0,0|2,0,0]=4 20409 B17R2.5365 Oc1ccc(cc1SCc2cncnc2)Cl 62a_100011356953_100015196519 [0,2,0,0,0,0|2,0,0]=4 20410 B17R2.5365 Oc1ccc(cc1SCc2cncnc2)Cl 62a_100015196519_100011356953 [0,2,0,0,0,0|2,0,0]=4 20411 B17R2.5365 Oc1ccc(cc1SCc2cncnc2)F 62a_100000211999_100015196519 [0,2,0,0,0,0|2,0,0]=4 20412 B17R2.5365 Oc1ccc(cc1SCc2cncnc2)F 62a_100015196519_100000211999 [0,2,0,0,0,0|2,0,0]=4 20413 B17R2.5365 Oc1ccc(nc1SCc2cccnc2)Br 62a_100000741622_100010253912 [0,2,0,0,0,0|2,0,0]=4 20414 B17R2.5365 Oc1ccc(nc1SCc2cccnc2)Br 62a_100010253912_100000741622 [0,2,0,0,0,0|2,0,0]=4 20415 B17R2.5365 Oc1ccc(nc1SCc2cccnc2)Cl 62a_100000741622_100000696390 [0,2,0,0,0,0|2,0,0]=4 20416 B17R2.5365 Oc1ccc(nc1SCc2cccnc2)F 62a_100000741622_100010382442 [0,2,0,0,0,0|2,0,0]=4 20417 B17R2.5365 Oc1ccc(nc1SCc2cccnc2)F 62a_100010382442_100000741622 [0,2,0,0,0,0|2,0,0]=4 20418 B17R2.5365 Oc1cnc(c(c1)C#Cc2ccccc2)F 271570a_100000069678_100009817267 [0,2,0,0,0,0|1,0,1]=4 20419 B17R2.5365 Oc1cnc(c(c1)C=Cc2ccccc2)F 271570a_100102527694_100009817267 [0,2,0,0,0,0|1,0,1]=4 20420 B17R2.5365 Oc1cnc(c(c1)OCc2ccccc2)F 271570a_203496583355_200010760775 [0,2,0,0,0,0|2,0,0]=4 20421 B17R2.5365 Oc1cnc(c(c1)SCc2ccccc2)F 62a_100000211182_100009817267 [0,2,0,0,0,0|2,0,0]=4 20422 B17R2.5365 Oc1cnc(c(c1)SCc2ccccc2)F 62a_100009817267_100015291786 [0,2,0,0,0,0|2,0,0]=4 20423 B17R2.5365 Oc1cnc(c(c1)SCc2cccnc2)F 62a_100000741622_100009817267 [0,2,0,0,0,0|2,0,0]=4 20424 B17R2.5365 Oc1cnc(c(c1)SCc2cccnc2)F 62a_100009817267_100000741622 [0,2,0,0,0,0|2,0,0]=4 20425 B17R2.5365 Oc1cnc(cc1SCc2cccnc2)Cl 62a_100000698892_100000741622 [0,2,0,0,0,0|2,0,0]=4 20426 B17R2.5365 Oc1cnc(cc1SCc2cccnc2)Cl 62a_100000741622_100000698892 [0,2,0,0,0,0|2,0,0]=4 20427 B17R2.5365 Oc1ncc(cc1C#Cc2ccccc2)Br 271570a_100000069678_100010197142 [0,2,0,0,0,0|1,0,1]=4 20428 B17R2.5365 Oc1ncc(cc1C#Cc2ccccc2)Cl 271570a_100000069678_100010188700 [0,2,0,0,0,0|1,0,1]=4 20429 B17R2.5365 Oc1ncc(cc1C=Cc2ccccc2)Br 271570a_100102527694_100010197142 [0,2,0,0,0,0|1,0,1]=4 20430 B17R2.5365 Oc1ncc(cc1C=Cc2ccccc2)Cl 271570a_100102527694_100010188700 [0,2,0,0,0,0|1,0,1]=4 20431 B17R2.5365 Oc1ncc(cc1CNc2ccccc2)Br 207a_100000106764_100010064889 [0,2,0,0,0,0|0,0,0]=2 20432 B17R2.5365 Oc1ncc(cc1CNc2ccccc2)Br 270302a_100000106764_100010064889 [0,2,0,0,0,0|0,0,0]=2 20433 B17R2.5365 Oc1ncc(cc1SCc2ccccc2)Br 62a_100000211182_100010197142 [0,2,0,0,0,0|2,0,0]=4 20434 B17R2.5365 Oc1ncc(cc1SCc2ccccc2)Br 62a_100010197142_100015291786 [0,2,0,0,0,0|2,0,0]=4 20435 B17R2.5365 Oc1ncc(cc1SCc2ccccc2)Cl 62a_100000211182_100010188700 [0,2,0,0,0,0|2,0,0]=4 20436 B17R2.5365 Oc1ncc(cc1SCc2ccccc2)Cl 62a_100010188700_100015291786 [0,2,0,0,0,0|2,0,0]=4 20437 B17R2.5365 Oc1ncc(cc1SCc2cccnc2)Br 62a_100000741622_100010197142 [0,2,0,0,0,0|2,0,0]=4 20438 B17R2.5365 Oc1ncc(cc1SCc2cccnc2)Br 62a_100010197142_100000741622 [0,2,0,0,0,0|2,0,0]=4 20439 B17R2.5365 Oc1ncc(cc1SCc2cccnc2)Cl 62a_100000741622_100010188700 [0,2,0,0,0,0|2,0,0]=4 20440 B17R2.5365 Oc1ncc(cc1SCc2cccnc2)Cl 62a_100010188700_100000741622 [0,2,0,0,0,0|2,0,0]=4 20441 B17R2.41893 Brc1cc(ccn1)CNc2ccccc2Br 34a_100000210017_100010243470 [0,2,0,0,0,0|2,0,0]=4 20442 B17R2.41893 Brc1cc(ccn1)CNc2ccccc2I 34a_100000210053_100010243470 [0,2,0,0,0,0|2,0,0]=4 20443 B17R2.41893 Brc1cc(ccn1)SCc2cccnc2Br 62a_100009814637_100010140945 [0,2,0,0,0,0|2,0,0]=4 20444 B17R2.41893 Brc1cc(ccn1)SCc2cccnc2Br 62a_100010140945_100009814637 [0,2,0,0,0,0|2,0,0]=4 20445 B17R2.41893 Brc1cccc(c1)CNc2ccccc2Br 207a_100000210017_100000210085 [0,2,0,0,0,0|1,0,0]=3 20446 B17R2.41893 Brc1cccc(c1)CNc2ccccc2Br 34a_100000210017_100000698116 [0,2,0,0,0,0|1,0,0]=3 20447 B17R2.41893 Brc1cccc(c1)CNc2ccccc2I 207a_100000210053_100000210085 [0,2,0,0,0,0|1,0,0]=3 20448 B17R2.41893 Brc1cccc(c1)CNc2ccccc2I 34a_100000210053_100000698116 [0,2,0,0,0,0|1,0,0]=3 20449 B17R2.41893 Brc1cccc(c1)CNc2ccncc2Br 27a_100000174977_100000726257 [0,2,0,0,0,0|2,0,0]=4 20450 B17R2.41893 Brc1cccc(c1)CNc2ncccc2Br 27a_100000174977_100000696092 [0,2,0,0,0,0|2,0,0]=4 20451 B17R2.41893 Brc1cccc(c1)COc2ccccc2Br 34a_100000181306_100000698116 [0,2,0,0,0,0|2,0,0]=4 20452 B17R2.41893 Brc1cccc(c1)COc2ccccc2Br 7a_100000181306_100000211773 [0,2,0,0,0,0|2,0,0]=4 20453 B17R2.41893 Brc1cccc(c1)COc2ccccc2I 34a_100000739446_100000698116 [0,2,0,0,0,0|2,0,0]=4 20454 B17R2.41893 Brc1cccc(c1)COc2ccccc2I 7a_100000739446_100000211773 [0,2,0,0,0,0|2,0,0]=4 20455 B17R2.41893 Brc1cccc(c1)COc2cccnc2Br 34a_100000744436_100000698116 [0,2,0,0,0,0|2,0,0]=4 20456 B17R2.41893 Brc1cccc(c1)COc2cccnc2Br 7a_100000744436_100000211773 [0,2,0,0,0,0|2,0,0]=4 20457 B17R2.41893 Brc1cccc(c1)COc2cccnc2I 34a_100000034122_100000698116 [0,2,0,0,0,0|2,0,0]=4 20458 B17R2.41893 Brc1cccc(c1)COc2cccnc2I 7a_100000034122_100000211773 [0,2,0,0,0,0|2,0,0]=4 20459 B17R2.41893 Brc1cccc(c1)COc2cnccc2I 34a_100000050107_100000698116 [0,2,0,0,0,0|2,0,0]=4 20460 B17R2.41893 Brc1cccc(c1)CSc2ccccc2Br 62a_100000211773_100000695589 [0,2,0,0,0,0|2,0,0]=4 20461 B17R2.41893 Brc1cccc(c1)CSc2ccccc2Br 62a_100000695589_100000211773 [0,2,0,0,0,0|2,0,0]=4 20462 B17R2.41893 Brc1cccc(c1)CSc2cccnc2Br 62a_100000211773_100010202626 [0,2,0,0,0,0|2,0,0]=4 20463 B17R2.41893 Brc1cccc(c1)CSc2cccnc2Br 62a_100010202626_100000211773 [0,2,0,0,0,0|2,0,0]=4 20464 B17R2.41893 Brc1cccc(c1)CSc2cnccc2Br 62a_100000211773_100010138639 [0,2,0,0,0,0|2,0,0]=4 20465 B17R2.41893 Brc1cccc(c1)CSc2cnccc2Br 62a_100010138639_100000211773 [0,2,0,0,0,0|2,0,0]=4 20466 B17R2.41893 Brc1cccc(c1)NCc2ccccc2Br 207a_100000210019_100000211189 [0,2,0,0,0,0|1,0,0]=3 20467 B17R2.41893 Brc1cccc(c1)NCc2ccccc2Br 270302a_100000210019_100000211189 [0,2,0,0,0,0|1,0,0]=3 20468 B17R2.41893 Brc1cccc(c1)NCc2ccccc2Br 34a_100000210019_100000184730 [0,2,0,0,0,0|1,0,0]=3 20469 B17R2.41893 Brc1cccc(c1)NCc2ccccc2I 207a_100000210019_100000010305 [0,2,0,0,0,0|1,0,0]=3 20470 B17R2.41893 Brc1cccc(c1)NCc2ccccc2I 34a_100000210019_100011215278 [0,2,0,0,0,0|1,0,0]=3 20471 B17R2.41893 Brc1cccc(c1)NCc2cccnc2Br 34a_100000210019_100010140945 [0,2,0,0,0,0|0,0,0]=2 20472 B17R2.41893 Brc1cccc(c1)NCc2ncccc2Br 207a_100000210019_100011934733 [0,2,0,0,0,0|2,0,0]=4 20473 B17R2.41893 Brc1cccc(c1)NCc2ncccc2Br 34a_100000210019_100025702911 [0,2,0,0,0,0|2,0,0]=4 20474 B17R2.41893 Brc1cccc(c1)OCc2ccccc2Br 34a_100000210342_100000184730 [0,2,0,0,0,0|2,0,0]=4 20475 B17R2.41893 Brc1cccc(c1)OCc2ccccc2Br 7a_100000210342_100000184730 [0,2,0,0,0,0|2,0,0]=4 20476 B17R2.41893 Brc1cccc(c1)OCc2ccccc2I 34a_100000210342_100011215278 [0,2,0,0,0,0|2,0,0]=4 20477 B17R2.41893 Brc1cccc(c1)OCc2ccccc2I 7a_100000210342_100011215278 [0,2,0,0,0,0|2,0,0]=4 20478 B17R2.41893 Brc1cccc(c1)OCc2cccnc2Br 34a_100000210342_100010140945 [0,2,0,0,0,0|1,0,0]=3 20479 B17R2.41893 Brc1cccc(c1)OCc2cccnc2Br 7a_100000210342_100010140945 [0,2,0,0,0,0|1,0,0]=3 20480 B17R2.41893 Brc1cccc(c1)SCc2ccccc2Br 62a_100000184730_100000691529 [0,2,0,0,0,0|2,0,0]=4 20481 B17R2.41893 Brc1cccc(c1)SCc2ccccc2Br 62a_100000691529_100000184730 [0,2,0,0,0,0|2,0,0]=4 20482 B17R2.41893 Brc1cccc(c1)SCc2ccccc2I 62a_100000691529_100011216222 [0,2,0,0,0,0|2,0,0]=4 20483 B17R2.41893 Brc1cccc(c1)SCc2ccccc2I 62a_100011216222_100000691529 [0,2,0,0,0,0|2,0,0]=4 20484 B17R2.41893 Brc1cccc(c1)SCc2cccnc2Br 62a_100000691529_100010140945 [0,2,0,0,0,0|1,0,0]=3 20485 B17R2.41893 Brc1cccc(c1)SCc2cccnc2Br 62a_100010140945_100000691529 [0,2,0,0,0,0|1,0,0]=3 20486 B17R2.41893 Brc1cccc(n1)CNc2ccccc2Br 34a_100000210017_100009889011 [0,2,0,0,0,0|2,0,0]=4 20487 B17R2.41893 Brc1cccc(n1)CNc2ccccc2I 34a_100000210053_100009889011 [0,2,0,0,0,0|2,0,0]=4 20488 B17R2.41893 Brc1cccc(n1)SCc2cccnc2Br 62a_100000684672_100010140945 [0,2,0,0,0,0|2,0,0]=4 20489 B17R2.41893 Brc1cccc(n1)SCc2cccnc2Br 62a_100010140945_100000684672 [0,2,0,0,0,0|2,0,0]=4 20490 B17R2.41893 Brc1ccccc1CNc2cccc(c2)I 207a_100000211102_100000211189 [0,2,0,0,0,0|1,0,0]=3 20491 B17R2.41893 Brc1ccccc1CNc2cccc(c2)I 270302a_100000211102_100000211189 [0,2,0,0,0,0|1,0,0]=3 20492 B17R2.41893 Brc1ccccc1CNc2cccc(c2)I 34a_100000211102_100000184730 [0,2,0,0,0,0|1,0,0]=3 20493 B17R2.41893 Brc1ccccc1COc2cccc(c2)I 34a_100000211634_100000184730 [0,2,0,0,0,0|2,0,0]=4 20494 B17R2.41893 Brc1ccccc1COc2cccc(c2)I 7a_100000211634_100000184730 [0,2,0,0,0,0|2,0,0]=4 20495 B17R2.41893 Brc1ccccc1NCc2cccc(c2)I 207a_100000210017_100000014684 [0,2,0,0,0,0|1,0,0]=3 20496 B17R2.41893 Brc1ccccc1NCc2cccc(c2)I 34a_100000210017_100011218688 [0,2,0,0,0,0|1,0,0]=3 20497 B17R2.41893 Brc1ccccc1OCc2cccc(c2)I 34a_100000181306_100011218688 [0,2,0,0,0,0|2,0,0]=4 20498 B17R2.41893 Brc1ccccc1OCc2cccc(c2)I 7a_100000181306_100011218688 [0,2,0,0,0,0|2,0,0]=4 20499 B17R2.41893 Brc1ccccc1SCc2cccc(c2)I 62a_100000695589_100011218688 [0,2,0,0,0,0|2,0,0]=4 20500 B17R2.41893 Brc1ccccc1SCc2cccc(c2)I 62a_100011218688_100000695589 [0,2,0,0,0,0|2,0,0]=4 20501 B17R2.41893 Brc1cccnc1CNc2cccc(c2)I 207a_100000211102_100011934733 [0,2,0,0,0,0|2,0,0]=4 20502 B17R2.41893 Brc1cccnc1CNc2cccc(c2)I 34a_100000211102_100025702911 [0,2,0,0,0,0|2,0,0]=4 20503 B17R2.41893 Brc1cccnc1NCc2cccc(c2)I 27a_100000106179_100000696092 [0,2,0,0,0,0|2,0,0]=4 20504 B17R2.41893 Brc1ccnc(c1)CNc2ccccc2Br 34a_100000210017_100010173614 [0,2,0,0,0,0|2,0,0]=4 20505 B17R2.41893 Brc1ccnc(c1)CNc2ccccc2I 34a_100000210053_100010173614 [0,2,0,0,0,0|2,0,0]=4 20506 B17R2.41893 Brc1ccncc1SCc2cccc(c2)I 62a_100010138639_100011218688 [0,2,0,0,0,0|2,0,0]=4 20507 B17R2.41893 Brc1ccncc1SCc2cccc(c2)I 62a_100011218688_100010138639 [0,2,0,0,0,0|2,0,0]=4 20508 B17R2.41893 Brc1cncc(c1)CNc2ccccc2Br 207a_100000210017_100000687066 [0,2,0,0,0,0|0,0,0]=2 20509 B17R2.41893 Brc1cncc(c1)CNc2ccccc2Br 34a_100000210017_100000738771 [0,2,0,0,0,0|0,0,0]=2 20510 B17R2.41893 Brc1cncc(c1)CNc2ccccc2I 207a_100000210053_100000687066 [0,2,0,0,0,0|0,0,0]=2 20511 B17R2.41893 Brc1cncc(c1)CNc2ccccc2I 34a_100000210053_100000738771 [0,2,0,0,0,0|0,0,0]=2 20512 B17R2.41893 Brc1cncc(c1)CNc2ccncc2Br 27a_100011249555_100000726257 [0,2,0,0,0,0|1,0,0]=3 20513 B17R2.41893 Brc1cncc(c1)CNc2ncccc2Br 27a_100011249555_100000696092 [0,2,0,0,0,0|1,0,0]=3 20514 B17R2.41893 Brc1cncc(c1)COc2ccccc2Br 34a_100000181306_100000738771 [0,2,0,0,0,0|1,0,0]=3 20515 B17R2.41893 Brc1cncc(c1)COc2ccccc2Br 7a_100000181306_100000738771 [0,2,0,0,0,0|1,0,0]=3 20516 B17R2.41893 Brc1cncc(c1)COc2ccccc2I 34a_100000739446_100000738771 [0,2,0,0,0,0|1,0,0]=3 20517 B17R2.41893 Brc1cncc(c1)COc2ccccc2I 7a_100000739446_100000738771 [0,2,0,0,0,0|1,0,0]=3 20518 B17R2.41893 Brc1cncc(c1)COc2cccnc2Br 34a_100000744436_100000738771 [0,2,0,0,0,0|2,0,0]=4 20519 B17R2.41893 Brc1cncc(c1)COc2cccnc2Br 7a_100000744436_100000738771 [0,2,0,0,0,0|2,0,0]=4 20520 B17R2.41893 Brc1cncc(c1)COc2cccnc2I 34a_100000034122_100000738771 [0,2,0,0,0,0|2,0,0]=4 20521 B17R2.41893 Brc1cncc(c1)COc2cccnc2I 7a_100000034122_100000738771 [0,2,0,0,0,0|2,0,0]=4 20522 B17R2.41893 Brc1cncc(c1)COc2ccncc2Br 34a_100011996408_100000738771 [0,2,0,0,0,0|2,0,0]=4 20523 B17R2.41893 Brc1cncc(c1)COc2cnccc2I 34a_100000050107_100000738771 [0,2,0,0,0,0|2,0,0]=4 20524 B17R2.41893 Brc1cncc(c1)CSc2ccccc2Br 62a_100000695589_100000738771 [0,2,0,0,0,0|1,0,0]=3 20525 B17R2.41893 Brc1cncc(c1)CSc2ccccc2Br 62a_100000738771_100000695589 [0,2,0,0,0,0|1,0,0]=3 20526 B17R2.41893 Brc1cncc(c1)CSc2cccnc2Br 62a_100000738771_100010202626 [0,2,0,0,0,0|2,0,0]=4 20527 B17R2.41893 Brc1cncc(c1)CSc2cccnc2Br 62a_100010202626_100000738771 [0,2,0,0,0,0|2,0,0]=4 20528 B17R2.41893 Brc1cncc(c1)CSc2ccncc2Br 62a_100000726257_100000738771 [0,2,0,0,0,0|2,0,0]=4 20529 B17R2.41893 Brc1cncc(c1)CSc2ccncc2Br 62a_100000738771_100000726257 [0,2,0,0,0,0|2,0,0]=4 20530 B17R2.41893 Brc1cncc(c1)CSc2cnccc2Br 62a_100000738771_100010138639 [0,2,0,0,0,0|2,0,0]=4 20531 B17R2.41893 Brc1cncc(c1)CSc2cnccc2Br 62a_100010138639_100000738771 [0,2,0,0,0,0|2,0,0]=4 20532 B17R2.41893 Brc1cncc(c1)CSc2ncccc2Br 62a_100000696092_100000738771 [0,2,0,0,0,0|2,0,0]=4 20533 B17R2.41893 Brc1cncc(c1)CSc2ncccc2Br 62a_100000738771_100000696092 [0,2,0,0,0,0|2,0,0]=4 20534 B17R2.41893 Brc1cncc(c1)OCc2ccccc2Br 34a_100000754920_100000184730 [0,2,0,0,0,0|2,0,0]=4 20535 B17R2.41893 Brc1cncc(c1)OCc2ccccc2Br 7a_100000754920_100000184730 [0,2,0,0,0,0|2,0,0]=4 20536 B17R2.41893 Brc1cncc(c1)OCc2ccccc2I 34a_100000754920_100011215278 [0,2,0,0,0,0|2,0,0]=4 20537 B17R2.41893 Brc1cncc(c1)OCc2ccccc2I 7a_100000754920_100011215278 [0,2,0,0,0,0|2,0,0]=4 20538 B17R2.41893 Brc1cncc(c1)OCc2cccnc2Br 34a_100000754920_100010140945 [0,2,0,0,0,0|2,0,0]=4 20539 B17R2.41893 Brc1cncc(c1)OCc2cccnc2Br 7a_100000754920_100010140945 [0,2,0,0,0,0|2,0,0]=4 20540 B17R2.41893 Brc1cncc(c1)SCc2ccccc2Br 62a_100000184730_100000728054 [0,2,0,0,0,0|2,0,0]=4 20541 B17R2.41893 Brc1cncc(c1)SCc2ccccc2Br 62a_100000728054_100000184730 [0,2,0,0,0,0|2,0,0]=4 20542 B17R2.41893 Brc1cncc(c1)SCc2ccccc2I 62a_100000728054_100011216222 [0,2,0,0,0,0|2,0,0]=4 20543 B17R2.41893 Brc1cncc(c1)SCc2ccccc2I 62a_100011216222_100000728054 [0,2,0,0,0,0|2,0,0]=4 20544 B17R2.41893 Brc1cncc(c1)SCc2cccnc2Br 62a_100000728054_100010140945 [0,2,0,0,0,0|2,0,0]=4 20545 B17R2.41893 Brc1cncc(c1)SCc2cccnc2Br 62a_100010140945_100000728054 [0,2,0,0,0,0|2,0,0]=4 20546 B17R2.41893 Brc1cnccc1NCc2cccc(c2)I 27a_100000106179_100000726257 [0,2,0,0,0,0|2,0,0]=4 20547 B17R2.41893 Brc1ncccc1CNc2cccc(c2)I 34a_100000211102_100010140945 [0,2,0,0,0,0|0,0,0]=2 20548 B17R2.41893 Brc1ncccc1COc2cccc(c2)I 34a_100000211634_100010140945 [0,2,0,0,0,0|1,0,0]=3 20549 B17R2.41893 Brc1ncccc1COc2cccc(c2)I 7a_100000211634_100010140945 [0,2,0,0,0,0|1,0,0]=3 20550 B17R2.41893 Brc1ncccc1OCc2cccc(c2)I 34a_100000744436_100011218688 [0,2,0,0,0,0|2,0,0]=4 20551 B17R2.41893 Brc1ncccc1OCc2cccc(c2)I 7a_100000744436_100011218688 [0,2,0,0,0,0|2,0,0]=4 20552 B17R2.41893 Brc1ncccc1SCc2cccc(c2)I 62a_100010202626_100011218688 [0,2,0,0,0,0|2,0,0]=4 20553 B17R2.41893 Brc1ncccc1SCc2cccc(c2)I 62a_100011218688_100010202626 [0,2,0,0,0,0|2,0,0]=4 20554 B17R2.41893 C[n+]1cccc(c1)SCc2cccnc2Br 62a_100009996589_100010140945 [0,2,0,0,0,0|2,0,0]=4 20555 B17R2.41893 C[n+]1cccc(c1)SCc2cccnc2Br 62a_100010140945_100009996589 [0,2,0,0,0,0|2,0,0]=4 20556 B17R2.41893 C[n+]1cccc(c1)SCc2cccnc2Cl 62a_100000045678_100009996589 [0,2,0,0,0,0|2,0,0]=4 20557 B17R2.41893 C[n+]1cccc(c1)SCc2cccnc2Cl 62a_100009996589_100000045678 [0,2,0,0,0,0|2,0,0]=4 20558 B17R2.41893 C[n+]1cccc(c1)SCc2cccnc2F 62a_100000099810_100009996589 [0,2,0,0,0,0|2,0,0]=4 20559 B17R2.41893 C[n+]1cccc(c1)SCc2cccnc2F 62a_100009996589_100000099810 [0,2,0,0,0,0|2,0,0]=4 20560 B17R2.41893 C[n+]1ccccc1SCc2cncc(c2)Br 62a_100000738771_100000212160 [0,2,0,0,0,0|2,0,0]=4 20561 B17R2.41893 C[n+]1ccccc1SCc2cncc(c2)Cl 62a_100016992070_100000212160 [0,2,0,0,0,0|2,0,0]=4 20562 B17R2.41893 C[n+]1ccccc1SCc2cncc(c2)F 62a_100000725299_100000212160 [0,2,0,0,0,0|2,0,0]=4 20563 B17R2.41893 Cc1cc(ccn1)CNc2ccccc2Br 207a_100000210017_100011361630 [0,2,0,0,0,0|2,0,0]=4 20564 B17R2.41893 Cc1cc(ccn1)CNc2ccccc2Br 34a_100000210017_200020672517 [0,2,0,0,0,0|2,0,0]=4 20565 B17R2.41893 Cc1cc(ccn1)CNc2ccccc2C 207a_100015192222_100011361630 [0,2,0,0,0,0|2,0,0]=4 20566 B17R2.41893 Cc1cc(ccn1)CNc2ccccc2C 34a_100015192222_200020672517 [0,2,0,0,0,0|2,0,0]=4 20567 B17R2.41893 Cc1cc(ccn1)CNc2ccccc2Cl 207a_100000185783_100011361630 [0,2,0,0,0,0|2,0,0]=4 20568 B17R2.41893 Cc1cc(ccn1)CNc2ccccc2Cl 34a_100000185783_200020672517 [0,2,0,0,0,0|2,0,0]=4 20569 B17R2.41893 Cc1cc(ccn1)CNc2ccccc2F 207a_100000210422_100011361630 [0,2,0,0,0,0|2,0,0]=4 20570 B17R2.41893 Cc1cc(ccn1)CNc2ccccc2F 34a_100000210422_200020672517 [0,2,0,0,0,0|2,0,0]=4 20571 B17R2.41893 Cc1cc(ccn1)CNc2ccccc2I 207a_100000210053_100011361630 [0,2,0,0,0,0|2,0,0]=4 20572 B17R2.41893 Cc1cc(ccn1)CNc2ccccc2I 34a_100000210053_200020672517 [0,2,0,0,0,0|2,0,0]=4 20573 B17R2.41893 Cc1cc(ccn1)CNc2ccccc2O 34a_100000185747_200020672517 [0,2,0,0,0,0|2,0,0]=4 20574 B17R2.41893 Cc1cc(ccn1)NCc2ccccc2Br 27a_100000689332_100000758586 [0,2,0,0,0,0|2,0,0]=4 20575 B17R2.41893 Cc1cc(ccn1)NCc2ccccc2C 27a_100000174972_100000758586 [0,2,0,0,0,0|2,0,0]=4 20576 B17R2.41893 Cc1cc(ccn1)NCc2ccccc2Cl 27a_100000174879_100000758586 [0,2,0,0,0,0|2,0,0]=4 20577 B17R2.41893 Cc1cc(ccn1)NCc2ccccc2F 27a_100000174869_100000758586 [0,2,0,0,0,0|2,0,0]=4 20578 B17R2.41893 Cc1cc(ccn1)NCc2ccccc2I 27a_100015347259_100000758586 [0,2,0,0,0,0|2,0,0]=4 20579 B17R2.41893 Cc1cc(ccn1)NCc2ccccc2O 27a_100000185550_100000758586 [0,2,0,0,0,0|2,0,0]=4 20580 B17R2.41893 Cc1cc(ccn1)NCc2cccnc2Br 27a_100009818023_100000758586 [0,2,0,0,0,0|1,0,0]=3 20581 B17R2.41893 Cc1cc(ccn1)NCc2cccnc2Cl 27a_100015189234_100000758586 [0,2,0,0,0,0|1,0,0]=3 20582 B17R2.41893 Cc1cc(ccn1)NCc2cccnc2F 27a_100000724633_100000758586 [0,2,0,0,0,0|1,0,0]=3 20583 B17R2.41893 Cc1cc(ccn1)NCc2cnccc2C 27a_100011997553_100000758586 [0,2,0,0,0,0|1,0,0]=3 20584 B17R2.41893 Cc1cc(ccn1)NCc2nccnc2C 27a_100020641712_100000758586 [0,2,0,0,0,0|2,0,0]=4 20585 B17R2.41893 Cc1cc(ccn1)NCc2nccnc2Cl 27a_100000729963_100000758586 [0,2,0,0,0,0|2,0,0]=4 20586 B17R2.41893 Cc1cc(ccn1)OCc2cccnc2Br 34a_100000688365_100010140945 [0,2,0,0,0,0|2,0,0]=4 20587 B17R2.41893 Cc1cc(ccn1)OCc2cccnc2C 34a_100000688365_100000732876 [0,2,0,0,0,0|2,0,0]=4 20588 B17R2.41893 Cc1cc(ccn1)OCc2cccnc2Cl 34a_100000688365_100000045678 [0,2,0,0,0,0|2,0,0]=4 20589 B17R2.41893 Cc1cc(ccn1)OCc2cccnc2F 34a_100000688365_100000099810 [0,2,0,0,0,0|2,0,0]=4 20590 B17R2.41893 Cc1cc(ccn1)OCc2cnccc2C 34a_100000688365_100000690890 [0,2,0,0,0,0|2,0,0]=4 20591 B17R2.41893 Cc1cc(ccn1)SCc2cccnc2Br 62a_100000758586_100010140945 [0,2,0,0,0,0|2,0,0]=4 20592 B17R2.41893 Cc1cc(ccn1)SCc2cccnc2Br 62a_100010140945_100000758586 [0,2,0,0,0,0|2,0,0]=4 20593 B17R2.41893 Cc1cc(ccn1)SCc2cccnc2C 62a_100000732876_100000758586 [0,2,0,0,0,0|2,0,0]=4 20594 B17R2.41893 Cc1cc(ccn1)SCc2cccnc2C 62a_100000758586_100000732876 [0,2,0,0,0,0|2,0,0]=4 20595 B17R2.41893 Cc1cc(ccn1)SCc2cccnc2Cl 62a_100000045678_100000758586 [0,2,0,0,0,0|2,0,0]=4 20596 B17R2.41893 Cc1cc(ccn1)SCc2cccnc2Cl 62a_100000758586_100000045678 [0,2,0,0,0,0|2,0,0]=4 20597 B17R2.41893 Cc1cc(ccn1)SCc2cccnc2F 62a_100000099810_100000758586 [0,2,0,0,0,0|2,0,0]=4 20598 B17R2.41893 Cc1cc(ccn1)SCc2cccnc2F 62a_100000758586_100000099810 [0,2,0,0,0,0|2,0,0]=4 20599 B17R2.41893 Cc1cc(ccn1)SCc2cnccc2C 62a_100000690890_100000758586 [0,2,0,0,0,0|2,0,0]=4 20600 B17R2.41893 Cc1cc(ccn1)SCc2cnccc2C 62a_100000758586_100000690890 [0,2,0,0,0,0|2,0,0]=4 20601 B17R2.41893 Cc1cc(ncn1)NCc2cccnc2Br 27a_100009818023_100000744208 [0,2,0,0,0,0|2,0,0]=4 20602 B17R2.41893 Cc1cc(ncn1)NCc2cccnc2Cl 27a_100015189234_100000744208 [0,2,0,0,0,0|2,0,0]=4 20603 B17R2.41893 Cc1cc(ncn1)NCc2cccnc2F 27a_100000724633_100000744208 [0,2,0,0,0,0|2,0,0]=4 20604 B17R2.41893 Cc1cc(ncn1)NCc2cnccc2C 27a_100011997553_100000744208 [0,2,0,0,0,0|2,0,0]=4 20605 B17R2.41893 Cc1cccc(c1)C=Cc2cccnc2Br 271570a_200135466880_100010202626 [0,2,0,0,0,0|1,0,1]=4 20606 B17R2.41893 Cc1cccc(c1)C=Cc2cccnc2C 271570a_200135466880_100000751574 [0,2,0,0,0,0|1,0,1]=4 20607 B17R2.41893 Cc1cccc(c1)C=Cc2cccnc2Cl 271570a_200135466880_100000036424 [0,2,0,0,0,0|1,0,1]=4 20608 B17R2.41893 Cc1cccc(c1)C=Cc2cccnc2F 271570a_200135466880_100009816115 [0,2,0,0,0,0|1,0,1]=4 20609 B17R2.41893 Cc1cccc(c1)C=Cc2cccnc2N 271570a_200135466880_100000045569 [0,2,0,0,0,0|1,0,1]=4 20610 B17R2.41893 Cc1cccc(c1)C=Cc2cnccc2Br 271570a_200135466880_100010138639 [0,2,0,0,0,0|1,0,1]=4 20611 B17R2.41893 Cc1cccc(c1)C=Cc2cnccc2C 271570a_200135466880_100000761580 [0,2,0,0,0,0|1,0,1]=4 20612 B17R2.41893 Cc1cccc(c1)C=Cc2cnccc2Cl 271570a_200135466880_100009995489 [0,2,0,0,0,0|1,0,1]=4 20613 B17R2.41893 Cc1cccc(c1)C=Cc2cnccc2F 271570a_200135466880_100009820683 [0,2,0,0,0,0|1,0,1]=4 20614 B17R2.41893 Cc1cccc(c1)C=Cc2cnccc2N 271570a_200135466880_100000047001 [0,2,0,0,0,0|1,0,1]=4 20615 B17R2.41893 Cc1cccc(c1)CNc2ccccc2Br 207a_100000210017_100000211157 [0,2,0,0,0,0|1,0,0]=3 20616 B17R2.41893 Cc1cccc(c1)CNc2ccccc2Br 34a_100000210017_100000211840 [0,2,0,0,0,0|1,0,0]=3 20617 B17R2.41893 Cc1cccc(c1)CNc2ccccc2C 207a_100015192222_100000211157 [0,2,0,0,0,0|1,0,0]=3 20618 B17R2.41893 Cc1cccc(c1)CNc2ccccc2C 270302a_100015192222_100000211157 [0,2,0,0,0,0|1,0,0]=3 20619 B17R2.41893 Cc1cccc(c1)CNc2ccccc2C 34a_100015192222_100000211840 [0,2,0,0,0,0|1,0,0]=3 20620 B17R2.41893 Cc1cccc(c1)CNc2ccccc2Cl 207a_100000185783_100000211157 [0,2,0,0,0,0|1,0,0]=3 20621 B17R2.41893 Cc1cccc(c1)CNc2ccccc2Cl 34a_100000185783_100000211840 [0,2,0,0,0,0|1,0,0]=3 20622 B17R2.41893 Cc1cccc(c1)CNc2ccccc2F 207a_100000210422_100000211157 [0,2,0,0,0,0|1,0,0]=3 20623 B17R2.41893 Cc1cccc(c1)CNc2ccccc2F 34a_100000210422_100000211840 [0,2,0,0,0,0|1,0,0]=3 20624 B17R2.41893 Cc1cccc(c1)CNc2ccccc2I 207a_100000210053_100000211157 [0,2,0,0,0,0|1,0,0]=3 20625 B17R2.41893 Cc1cccc(c1)CNc2ccccc2I 34a_100000210053_100000211840 [0,2,0,0,0,0|1,0,0]=3 20626 B17R2.41893 Cc1cccc(c1)CNc2ccccc2O 34a_100000185747_100000211840 [0,2,0,0,0,0|1,0,0]=3 20627 B17R2.41893 Cc1cccc(c1)CNc2ccncc2Br 27a_100000185548_100000726257 [0,2,0,0,0,0|2,0,0]=4 20628 B17R2.41893 Cc1cccc(c1)CNc2ccncc2C 27a_100000185548_100000765111 [0,2,0,0,0,0|2,0,0]=4 20629 B17R2.41893 Cc1cccc(c1)CNc2ccncc2F 27a_100000185548_100000035921 [0,2,0,0,0,0|2,0,0]=4 20630 B17R2.41893 Cc1cccc(c1)CNc2ncccc2Br 27a_100000185548_100000696092 [0,2,0,0,0,0|2,0,0]=4 20631 B17R2.41893 Cc1cccc(c1)COc2ccccc2Br 34a_100000181306_100000211840 [0,2,0,0,0,0|2,0,0]=4 20632 B17R2.41893 Cc1cccc(c1)COc2ccccc2Br 7a_100000181306_100000211840 [0,2,0,0,0,0|2,0,0]=4 20633 B17R2.41893 Cc1cccc(c1)COc2ccccc2C 34a_100000210338_100000211840 [0,2,0,0,0,0|2,0,0]=4 20634 B17R2.41893 Cc1cccc(c1)COc2ccccc2C 7a_100000210338_100000211840 [0,2,0,0,0,0|2,0,0]=4 20635 B17R2.41893 Cc1cccc(c1)COc2ccccc2Cl 34a_100000210172_100000211840 [0,2,0,0,0,0|2,0,0]=4 20636 B17R2.41893 Cc1cccc(c1)COc2ccccc2Cl 7a_100000210172_100000211840 [0,2,0,0,0,0|2,0,0]=4 20637 B17R2.41893 Cc1cccc(c1)COc2ccccc2F 34a_100000210171_100000211840 [0,2,0,0,0,0|2,0,0]=4 20638 B17R2.41893 Cc1cccc(c1)COc2ccccc2F 7a_100000210171_100000211840 [0,2,0,0,0,0|2,0,0]=4 20639 B17R2.41893 Cc1cccc(c1)COc2ccccc2I 34a_100000739446_100000211840 [0,2,0,0,0,0|2,0,0]=4 20640 B17R2.41893 Cc1cccc(c1)COc2ccccc2I 7a_100000739446_100000211840 [0,2,0,0,0,0|2,0,0]=4 20641 B17R2.41893 Cc1cccc(c1)COc2ccccc2N 34a_100000185747_100000211840 [0,2,0,0,0,0|2,0,0]=4 20642 B17R2.41893 Cc1cccc(c1)COc2ccccc2N 7a_100000185747_100000211840 [0,2,0,0,0,0|2,0,0]=4 20643 B17R2.41893 Cc1cccc(c1)COc2cccnc2Br 34a_100000744436_100000211840 [0,2,0,0,0,0|2,0,0]=4 20644 B17R2.41893 Cc1cccc(c1)COc2cccnc2Br 7a_100000744436_100000211840 [0,2,0,0,0,0|2,0,0]=4 20645 B17R2.41893 Cc1cccc(c1)COc2cccnc2C 34a_100000745507_100000211840 [0,2,0,0,0,0|2,0,0]=4 20646 B17R2.41893 Cc1cccc(c1)COc2cccnc2C 7a_100000745507_100000211840 [0,2,0,0,0,0|2,0,0]=4 20647 B17R2.41893 Cc1cccc(c1)COc2cccnc2Cl 34a_100000757616_100000211840 [0,2,0,0,0,0|2,0,0]=4 20648 B17R2.41893 Cc1cccc(c1)COc2cccnc2Cl 7a_100000757616_100000211840 [0,2,0,0,0,0|2,0,0]=4 20649 B17R2.41893 Cc1cccc(c1)COc2cccnc2F 34a_100000061740_100000211840 [0,2,0,0,0,0|2,0,0]=4 20650 B17R2.41893 Cc1cccc(c1)COc2cccnc2F 7a_100000061740_100000211840 [0,2,0,0,0,0|2,0,0]=4 20651 B17R2.41893 Cc1cccc(c1)COc2cccnc2I 34a_100000034122_100000211840 [0,2,0,0,0,0|2,0,0]=4 20652 B17R2.41893 Cc1cccc(c1)COc2cccnc2I 7a_100000034122_100000211840 [0,2,0,0,0,0|2,0,0]=4 20653 B17R2.41893 Cc1cccc(c1)COc2cccnc2N 34a_100000211975_100000211840 [0,2,0,0,0,0|2,0,0]=4 20654 B17R2.41893 Cc1cccc(c1)COc2cccnc2N 7a_100000211975_100000211840 [0,2,0,0,0,0|2,0,0]=4 20655 B17R2.41893 Cc1cccc(c1)COc2cnccc2C 34a_100011997053_100000211840 [0,2,0,0,0,0|2,0,0]=4 20656 B17R2.41893 Cc1cccc(c1)COc2cnccc2C 7a_100011997053_100000211840 [0,2,0,0,0,0|2,0,0]=4 20657 B17R2.41893 Cc1cccc(c1)COc2cnccc2Cl 34a_100011996695_100000211840 [0,2,0,0,0,0|2,0,0]=4 20658 B17R2.41893 Cc1cccc(c1)COc2cnccc2I 34a_100000050107_100000211840 [0,2,0,0,0,0|2,0,0]=4 20659 B17R2.41893 Cc1cccc(c1)COc2cnccc2N 34a_100000753702_100000211840 [0,2,0,0,0,0|2,0,0]=4 20660 B17R2.41893 Cc1cccc(c1)CSc2ccccc2Br 62a_100000211840_100000695589 [0,2,0,0,0,0|2,0,0]=4 20661 B17R2.41893 Cc1cccc(c1)CSc2ccccc2Br 62a_100000695589_100000211840 [0,2,0,0,0,0|2,0,0]=4 20662 B17R2.41893 Cc1cccc(c1)CSc2ccccc2C 62a_100000210755_100000211840 [0,2,0,0,0,0|2,0,0]=4 20663 B17R2.41893 Cc1cccc(c1)CSc2ccccc2C 62a_100000211840_100000210755 [0,2,0,0,0,0|2,0,0]=4 20664 B17R2.41893 Cc1cccc(c1)CSc2ccccc2Cl 62a_100000211840_100000764095 [0,2,0,0,0,0|2,0,0]=4 20665 B17R2.41893 Cc1cccc(c1)CSc2ccccc2Cl 62a_100000764095_100000211840 [0,2,0,0,0,0|2,0,0]=4 20666 B17R2.41893 Cc1cccc(c1)CSc2ccccc2F 62a_100000211840_100011215700 [0,2,0,0,0,0|2,0,0]=4 20667 B17R2.41893 Cc1cccc(c1)CSc2ccccc2F 62a_100011215700_100000211840 [0,2,0,0,0,0|2,0,0]=4 20668 B17R2.41893 Cc1cccc(c1)CSc2ccccc2N 62a_100000210017_100000211840 [0,2,0,0,0,0|2,0,0]=4 20669 B17R2.41893 Cc1cccc(c1)CSc2ccccc2N 62a_100000211840_100000210017 [0,2,0,0,0,0|2,0,0]=4 20670 B17R2.41893 Cc1cccc(c1)CSc2ccccc2O 62a_100000211840_100000739446 [0,2,0,0,0,0|2,0,0]=4 20671 B17R2.41893 Cc1cccc(c1)CSc2ccccc2O 62a_100000739446_100000211840 [0,2,0,0,0,0|2,0,0]=4 20672 B17R2.41893 Cc1cccc(c1)CSc2cccnc2Br 62a_100000211840_100010202626 [0,2,0,0,0,0|2,0,0]=4 20673 B17R2.41893 Cc1cccc(c1)CSc2cccnc2Br 62a_100010202626_100000211840 [0,2,0,0,0,0|2,0,0]=4 20674 B17R2.41893 Cc1cccc(c1)CSc2cccnc2C 62a_100000211840_100000751574 [0,2,0,0,0,0|2,0,0]=4 20675 B17R2.41893 Cc1cccc(c1)CSc2cccnc2C 62a_100000751574_100000211840 [0,2,0,0,0,0|2,0,0]=4 20676 B17R2.41893 Cc1cccc(c1)CSc2cccnc2Cl 62a_100000036424_100000211840 [0,2,0,0,0,0|2,0,0]=4 20677 B17R2.41893 Cc1cccc(c1)CSc2cccnc2Cl 62a_100000211840_100000036424 [0,2,0,0,0,0|2,0,0]=4 20678 B17R2.41893 Cc1cccc(c1)CSc2cccnc2F 62a_100000211840_100009816115 [0,2,0,0,0,0|2,0,0]=4 20679 B17R2.41893 Cc1cccc(c1)CSc2cccnc2F 62a_100009816115_100000211840 [0,2,0,0,0,0|2,0,0]=4 20680 B17R2.41893 Cc1cccc(c1)CSc2cccnc2N 62a_100000045569_100000211840 [0,2,0,0,0,0|2,0,0]=4 20681 B17R2.41893 Cc1cccc(c1)CSc2cccnc2N 62a_100000211840_100000045569 [0,2,0,0,0,0|2,0,0]=4 20682 B17R2.41893 Cc1cccc(c1)CSc2cccnc2O 62a_100000211840_100000760158 [0,2,0,0,0,0|2,0,0]=4 20683 B17R2.41893 Cc1cccc(c1)CSc2cccnc2O 62a_100000760158_100000211840 [0,2,0,0,0,0|2,0,0]=4 20684 B17R2.41893 Cc1cccc(c1)CSc2cnccc2Br 62a_100000211840_100010138639 [0,2,0,0,0,0|2,0,0]=4 20685 B17R2.41893 Cc1cccc(c1)CSc2cnccc2Br 62a_100010138639_100000211840 [0,2,0,0,0,0|2,0,0]=4 20686 B17R2.41893 Cc1cccc(c1)CSc2cnccc2C 62a_100000211840_100000761580 [0,2,0,0,0,0|2,0,0]=4 20687 B17R2.41893 Cc1cccc(c1)CSc2cnccc2C 62a_100000761580_100000211840 [0,2,0,0,0,0|2,0,0]=4 20688 B17R2.41893 Cc1cccc(c1)CSc2cnccc2Cl 62a_100000211840_100009995489 [0,2,0,0,0,0|2,0,0]=4 20689 B17R2.41893 Cc1cccc(c1)CSc2cnccc2Cl 62a_100009995489_100000211840 [0,2,0,0,0,0|2,0,0]=4 20690 B17R2.41893 Cc1cccc(c1)CSc2cnccc2F 62a_100000211840_100009820683 [0,2,0,0,0,0|2,0,0]=4 20691 B17R2.41893 Cc1cccc(c1)CSc2cnccc2F 62a_100009820683_100000211840 [0,2,0,0,0,0|2,0,0]=4 20692 B17R2.41893 Cc1cccc(c1)CSc2cnccc2N 62a_100000047001_100000211840 [0,2,0,0,0,0|2,0,0]=4 20693 B17R2.41893 Cc1cccc(c1)CSc2cnccc2N 62a_100000211840_100000047001 [0,2,0,0,0,0|2,0,0]=4 20694 B17R2.41893 Cc1cccc(c1)NCc2ccccc2Br 207a_100000188690_100000211189 [0,2,0,0,0,0|1,0,0]=3 20695 B17R2.41893 Cc1cccc(c1)NCc2ccccc2Br 2230a_100000188690_100000184730 [0,2,0,0,0,0|1,0,0]=3 20696 B17R2.41893 Cc1cccc(c1)NCc2ccccc2Br 270302a_100000188690_100000211189 [0,2,0,0,0,0|1,0,0]=3 20697 B17R2.41893 Cc1cccc(c1)NCc2ccccc2Br 34a_100000188690_100000184730 [0,2,0,0,0,0|1,0,0]=3 20698 B17R2.41893 Cc1cccc(c1)NCc2ccccc2C 207a_100000188690_100000211143 [0,2,0,0,0,0|1,0,0]=3 20699 B17R2.41893 Cc1cccc(c1)NCc2ccccc2C 2230a_100000188690_100000211839 [0,2,0,0,0,0|1,0,0]=3 20700 B17R2.41893 Cc1cccc(c1)NCc2ccccc2C 270302a_100000188690_100000211143 [0,2,0,0,0,0|1,0,0]=3 20701 B17R2.41893 Cc1cccc(c1)NCc2ccccc2C 34a_100000188690_100000211839 [0,2,0,0,0,0|1,0,0]=3 20702 B17R2.41893 Cc1cccc(c1)NCc2ccccc2Cl 207a_100000188690_100000210073 [0,2,0,0,0,0|1,0,0]=3 20703 B17R2.41893 Cc1cccc(c1)NCc2ccccc2Cl 2230a_100000188690_100000187162 [0,2,0,0,0,0|1,0,0]=3 20704 B17R2.41893 Cc1cccc(c1)NCc2ccccc2Cl 270302a_100000188690_100000210073 [0,2,0,0,0,0|1,0,0]=3 20705 B17R2.41893 Cc1cccc(c1)NCc2ccccc2Cl 34a_100000188690_100000187162 [0,2,0,0,0,0|1,0,0]=3 20706 B17R2.41893 Cc1cccc(c1)NCc2ccccc2F 207a_100000188690_100000210811 [0,2,0,0,0,0|1,0,0]=3 20707 B17R2.41893 Cc1cccc(c1)NCc2ccccc2F 2230a_100000188690_100000211605 [0,2,0,0,0,0|1,0,0]=3 20708 B17R2.41893 Cc1cccc(c1)NCc2ccccc2F 270302a_100000188690_100000210811 [0,2,0,0,0,0|1,0,0]=3 20709 B17R2.41893 Cc1cccc(c1)NCc2ccccc2F 34a_100000188690_100000211605 [0,2,0,0,0,0|1,0,0]=3 20710 B17R2.41893 Cc1cccc(c1)NCc2ccccc2I 207a_100000188690_100000010305 [0,2,0,0,0,0|1,0,0]=3 20711 B17R2.41893 Cc1cccc(c1)NCc2ccccc2I 2230a_100000188690_100011215278 [0,2,0,0,0,0|1,0,0]=3 20712 B17R2.41893 Cc1cccc(c1)NCc2ccccc2I 34a_100000188690_100011215278 [0,2,0,0,0,0|1,0,0]=3 20713 B17R2.41893 Cc1cccc(c1)NCc2ccccc2O 270302a_100000188690_100000185834 [0,2,0,0,0,0|1,0,0]=3 20714 B17R2.41893 Cc1cccc(c1)NCc2cccnc2Br 2230a_100000188690_100010140945 [0,2,0,0,0,0|0,0,0]=2 20715 B17R2.41893 Cc1cccc(c1)NCc2cccnc2Br 34a_100000188690_100010140945 [0,2,0,0,0,0|0,0,0]=2 20716 B17R2.41893 Cc1cccc(c1)NCc2cccnc2C 207a_100000188690_100000751968 [0,2,0,0,0,0|0,0,0]=2 20717 B17R2.41893 Cc1cccc(c1)NCc2cccnc2C 2230a_100000188690_100000732876 [0,2,0,0,0,0|0,0,0]=2 20718 B17R2.41893 Cc1cccc(c1)NCc2cccnc2C 34a_100000188690_100000732876 [0,2,0,0,0,0|0,0,0]=2 20719 B17R2.41893 Cc1cccc(c1)NCc2cccnc2Cl 2230a_100000188690_100000045678 [0,2,0,0,0,0|0,0,0]=2 20720 B17R2.41893 Cc1cccc(c1)NCc2cccnc2Cl 34a_100000188690_100000045678 [0,2,0,0,0,0|0,0,0]=2 20721 B17R2.41893 Cc1cccc(c1)NCc2cccnc2F 2230a_100000188690_100000099810 [0,2,0,0,0,0|0,0,0]=2 20722 B17R2.41893 Cc1cccc(c1)NCc2cccnc2F 34a_100000188690_100000099810 [0,2,0,0,0,0|0,0,0]=2 20723 B17R2.41893 Cc1cccc(c1)NCc2cccnc2O 207a_100000188690_100011998315 [0,2,0,0,0,0|0,0,0]=2 20724 B17R2.41893 Cc1cccc(c1)NCc2cccnc2O 270302a_100000188690_100011998315 [0,2,0,0,0,0|0,0,0]=2 20725 B17R2.41893 Cc1cccc(c1)NCc2ccncc2C 2230a_100000188690_100020672808 [0,2,0,0,0,0|2,0,0]=4 20726 B17R2.41893 Cc1cccc(c1)NCc2ccncc2C 34a_100000188690_100020672809 [0,2,0,0,0,0|2,0,0]=4 20727 B17R2.41893 Cc1cccc(c1)NCc2ccncc2Cl 207a_100000188690_100011934409 [0,2,0,0,0,0|2,0,0]=4 20728 B17R2.41893 Cc1cccc(c1)NCc2ccncc2Cl 2230a_100000188690_100000763264 [0,2,0,0,0,0|2,0,0]=4 20729 B17R2.41893 Cc1cccc(c1)NCc2cnccc2C 207a_100000188690_100000685662 [0,2,0,0,0,0|0,0,0]=2 20730 B17R2.41893 Cc1cccc(c1)NCc2cnccc2C 2230a_100000188690_100000690890 [0,2,0,0,0,0|0,0,0]=2 20731 B17R2.41893 Cc1cccc(c1)NCc2cnccc2C 34a_100000188690_100000690890 [0,2,0,0,0,0|0,0,0]=2 20732 B17R2.41893 Cc1cccc(c1)NCc2ncccc2Br 207a_100000188690_100011934733 [0,2,0,0,0,0|2,0,0]=4 20733 B17R2.41893 Cc1cccc(c1)NCc2ncccc2Br 2230a_100000188690_100025702911 [0,2,0,0,0,0|2,0,0]=4 20734 B17R2.41893 Cc1cccc(c1)NCc2ncccc2Br 34a_100000188690_100025702911 [0,2,0,0,0,0|2,0,0]=4 20735 B17R2.41893 Cc1cccc(c1)NCc2ncccc2C 207a_100000188690_100000698913 [0,2,0,0,0,0|2,0,0]=4 20736 B17R2.41893 Cc1cccc(c1)NCc2ncccc2C 2230a_100000188690_100000696600 [0,2,0,0,0,0|2,0,0]=4 20737 B17R2.41893 Cc1cccc(c1)NCc2ncccc2C 34a_100000188690_100000696600 [0,2,0,0,0,0|2,0,0]=4 20738 B17R2.41893 Cc1cccc(c1)NCc2ncccc2Cl 207a_100000188690_100012001307 [0,2,0,0,0,0|2,0,0]=4 20739 B17R2.41893 Cc1cccc(c1)NCc2ncccc2Cl 2230a_100000188690_100000099807 [0,2,0,0,0,0|2,0,0]=4 20740 B17R2.41893 Cc1cccc(c1)NCc2ncccc2F 207a_100000188690_100011934734 [0,2,0,0,0,0|2,0,0]=4 20741 B17R2.41893 Cc1cccc(c1)NCc2ncccc2F 2230a_100000188690_100000104219 [0,2,0,0,0,0|2,0,0]=4 20742 B17R2.41893 Cc1cccc(c1)NCc2ncccc2F 34a_100000188690_100000104219 [0,2,0,0,0,0|2,0,0]=4 20743 B17R2.41893 Cc1cccc(c1)NCc2ncccc2O 34a_100000188690_200020655725 [0,2,0,0,0,0|2,0,0]=4 20744 B17R2.41893 Cc1cccc(c1)OCc2ccccc2Br 34a_100000210337_100000184730 [0,2,0,0,0,0|2,0,0]=4 20745 B17R2.41893 Cc1cccc(c1)OCc2ccccc2Br 7a_100000210337_100000184730 [0,2,0,0,0,0|2,0,0]=4 20746 B17R2.41893 Cc1cccc(c1)OCc2ccccc2C 34a_100000210337_100000211839 [0,2,0,0,0,0|2,0,0]=4 20747 B17R2.41893 Cc1cccc(c1)OCc2ccccc2C 7a_100000210337_100000211839 [0,2,0,0,0,0|2,0,0]=4 20748 B17R2.41893 Cc1cccc(c1)OCc2ccccc2Cl 34a_100000210337_100000187162 [0,2,0,0,0,0|2,0,0]=4 20749 B17R2.41893 Cc1cccc(c1)OCc2ccccc2Cl 7a_100000210337_100000187162 [0,2,0,0,0,0|2,0,0]=4 20750 B17R2.41893 Cc1cccc(c1)OCc2ccccc2F 34a_100000210337_100000211605 [0,2,0,0,0,0|2,0,0]=4 20751 B17R2.41893 Cc1cccc(c1)OCc2ccccc2F 7a_100000210337_100000211605 [0,2,0,0,0,0|2,0,0]=4 20752 B17R2.41893 Cc1cccc(c1)OCc2ccccc2I 34a_100000210337_100011215278 [0,2,0,0,0,0|2,0,0]=4 20753 B17R2.41893 Cc1cccc(c1)OCc2ccccc2I 7a_100000210337_100011215278 [0,2,0,0,0,0|2,0,0]=4 20754 B17R2.41893 Cc1cccc(c1)OCc2cccnc2Br 34a_100000210337_100010140945 [0,2,0,0,0,0|1,0,0]=3 20755 B17R2.41893 Cc1cccc(c1)OCc2cccnc2Br 7a_100000210337_100010140945 [0,2,0,0,0,0|1,0,0]=3 20756 B17R2.41893 Cc1cccc(c1)OCc2cccnc2C 34a_100000210337_100000732876 [0,2,0,0,0,0|1,0,0]=3 20757 B17R2.41893 Cc1cccc(c1)OCc2cccnc2C 7a_100000210337_100000732876 [0,2,0,0,0,0|1,0,0]=3 20758 B17R2.41893 Cc1cccc(c1)OCc2cccnc2Cl 34a_100000210337_100000045678 [0,2,0,0,0,0|1,0,0]=3 20759 B17R2.41893 Cc1cccc(c1)OCc2cccnc2Cl 7a_100000210337_100000045678 [0,2,0,0,0,0|1,0,0]=3 20760 B17R2.41893 Cc1cccc(c1)OCc2cccnc2F 34a_100000210337_100000099810 [0,2,0,0,0,0|1,0,0]=3 20761 B17R2.41893 Cc1cccc(c1)OCc2cccnc2F 7a_100000210337_100000099810 [0,2,0,0,0,0|1,0,0]=3 20762 B17R2.41893 Cc1cccc(c1)OCc2cnccc2C 34a_100000210337_100000690890 [0,2,0,0,0,0|1,0,0]=3 20763 B17R2.41893 Cc1cccc(c1)OCc2cnccc2C 7a_100000210337_100000690890 [0,2,0,0,0,0|1,0,0]=3 20764 B17R2.41893 Cc1cccc(c1)SCc2ccccc2Br 62a_100000184730_100011215228 [0,2,0,0,0,0|2,0,0]=4 20765 B17R2.41893 Cc1cccc(c1)SCc2ccccc2Br 62a_100011215228_100000184730 [0,2,0,0,0,0|2,0,0]=4 20766 B17R2.41893 Cc1cccc(c1)SCc2ccccc2C 62a_100000211839_100011215228 [0,2,0,0,0,0|2,0,0]=4 20767 B17R2.41893 Cc1cccc(c1)SCc2ccccc2C 62a_100011215228_100000211839 [0,2,0,0,0,0|2,0,0]=4 20768 B17R2.41893 Cc1cccc(c1)SCc2ccccc2Cl 62a_100000187162_100011215228 [0,2,0,0,0,0|2,0,0]=4 20769 B17R2.41893 Cc1cccc(c1)SCc2ccccc2Cl 62a_100011215228_100000187162 [0,2,0,0,0,0|2,0,0]=4 20770 B17R2.41893 Cc1cccc(c1)SCc2ccccc2F 62a_100000211605_100011215228 [0,2,0,0,0,0|2,0,0]=4 20771 B17R2.41893 Cc1cccc(c1)SCc2ccccc2F 62a_100011215228_100000211605 [0,2,0,0,0,0|2,0,0]=4 20772 B17R2.41893 Cc1cccc(c1)SCc2ccccc2I 62a_100011215228_100011216222 [0,2,0,0,0,0|2,0,0]=4 20773 B17R2.41893 Cc1cccc(c1)SCc2ccccc2I 62a_100011216222_100011215228 [0,2,0,0,0,0|2,0,0]=4 20774 B17R2.41893 Cc1cccc(c1)SCc2cccnc2Br 62a_100010140945_100011215228 [0,2,0,0,0,0|1,0,0]=3 20775 B17R2.41893 Cc1cccc(c1)SCc2cccnc2Br 62a_100011215228_100010140945 [0,2,0,0,0,0|1,0,0]=3 20776 B17R2.41893 Cc1cccc(c1)SCc2cccnc2C 62a_100000732876_100011215228 [0,2,0,0,0,0|1,0,0]=3 20777 B17R2.41893 Cc1cccc(c1)SCc2cccnc2C 62a_100011215228_100000732876 [0,2,0,0,0,0|1,0,0]=3 20778 B17R2.41893 Cc1cccc(c1)SCc2cccnc2Cl 62a_100000045678_100011215228 [0,2,0,0,0,0|1,0,0]=3 20779 B17R2.41893 Cc1cccc(c1)SCc2cccnc2Cl 62a_100011215228_100000045678 [0,2,0,0,0,0|1,0,0]=3 20780 B17R2.41893 Cc1cccc(c1)SCc2cccnc2F 62a_100000099810_100011215228 [0,2,0,0,0,0|1,0,0]=3 20781 B17R2.41893 Cc1cccc(c1)SCc2cccnc2F 62a_100011215228_100000099810 [0,2,0,0,0,0|1,0,0]=3 20782 B17R2.41893 Cc1cccc(c1)SCc2cnccc2C 62a_100000690890_100011215228 [0,2,0,0,0,0|1,0,0]=3 20783 B17R2.41893 Cc1cccc(c1)SCc2cnccc2C 62a_100011215228_100000690890 [0,2,0,0,0,0|1,0,0]=3 20784 B17R2.41893 Cc1cccc(n1)CNc2ccccc2Br 207a_100000210017_100011215050 [0,2,0,0,0,0|2,0,0]=4 20785 B17R2.41893 Cc1cccc(n1)CNc2ccccc2Br 34a_100000210017_100000757606 [0,2,0,0,0,0|2,0,0]=4 20786 B17R2.41893 Cc1cccc(n1)CNc2ccccc2C 207a_100015192222_100011215050 [0,2,0,0,0,0|2,0,0]=4 20787 B17R2.41893 Cc1cccc(n1)CNc2ccccc2C 34a_100015192222_100000757606 [0,2,0,0,0,0|2,0,0]=4 20788 B17R2.41893 Cc1cccc(n1)CNc2ccccc2Cl 207a_100000185783_100011215050 [0,2,0,0,0,0|2,0,0]=4 20789 B17R2.41893 Cc1cccc(n1)CNc2ccccc2Cl 34a_100000185783_100000757606 [0,2,0,0,0,0|2,0,0]=4 20790 B17R2.41893 Cc1cccc(n1)CNc2ccccc2F 207a_100000210422_100011215050 [0,2,0,0,0,0|2,0,0]=4 20791 B17R2.41893 Cc1cccc(n1)CNc2ccccc2F 34a_100000210422_100000757606 [0,2,0,0,0,0|2,0,0]=4 20792 B17R2.41893 Cc1cccc(n1)CNc2ccccc2I 207a_100000210053_100011215050 [0,2,0,0,0,0|2,0,0]=4 20793 B17R2.41893 Cc1cccc(n1)CNc2ccccc2I 34a_100000210053_100000757606 [0,2,0,0,0,0|2,0,0]=4 20794 B17R2.41893 Cc1cccc(n1)CNc2ccccc2O 34a_100000185747_100000757606 [0,2,0,0,0,0|2,0,0]=4 20795 B17R2.41893 Cc1cccc(n1)SCc2cccnc2Br 62a_100000742759_100010140945 [0,2,0,0,0,0|2,0,0]=4 20796 B17R2.41893 Cc1cccc(n1)SCc2cccnc2Br 62a_100010140945_100000742759 [0,2,0,0,0,0|2,0,0]=4 20797 B17R2.41893 Cc1cccc(n1)SCc2cccnc2C 62a_100000732876_100000742759 [0,2,0,0,0,0|2,0,0]=4 20798 B17R2.41893 Cc1cccc(n1)SCc2cccnc2C 62a_100000742759_100000732876 [0,2,0,0,0,0|2,0,0]=4 20799 B17R2.41893 Cc1cccc(n1)SCc2cccnc2Cl 62a_100000045678_100000742759 [0,2,0,0,0,0|2,0,0]=4 20800 B17R2.41893 Cc1cccc(n1)SCc2cccnc2Cl 62a_100000742759_100000045678 [0,2,0,0,0,0|2,0,0]=4 20801 B17R2.41893 Cc1cccc(n1)SCc2cccnc2F 62a_100000099810_100000742759 [0,2,0,0,0,0|2,0,0]=4 20802 B17R2.41893 Cc1cccc(n1)SCc2cccnc2F 62a_100000742759_100000099810 [0,2,0,0,0,0|2,0,0]=4 20803 B17R2.41893 Cc1cccc(n1)SCc2cnccc2C 62a_100000690890_100000742759 [0,2,0,0,0,0|2,0,0]=4 20804 B17R2.41893 Cc1cccc(n1)SCc2cnccc2C 62a_100000742759_100000690890 [0,2,0,0,0,0|2,0,0]=4 20805 B17R2.41893 Cc1ccccc1CNc2cc(ccn2)F 27a_100000174972_100000764206 [0,2,0,0,0,0|2,0,0]=4 20806 B17R2.41893 Cc1ccccc1CNc2cc[nH]c(=O)c2 27a_100000174972_100000061649 [0,2,0,0,0,0|2,0,0]=4 20807 B17R2.41893 Cc1ccccc1CNc2cccc(c2)Br 207a_100000210019_100000211143 [0,2,0,0,0,0|1,0,0]=3 20808 B17R2.41893 Cc1ccccc1CNc2cccc(c2)Br 270302a_100000210019_100000211143 [0,2,0,0,0,0|1,0,0]=3 20809 B17R2.41893 Cc1ccccc1CNc2cccc(c2)Br 34a_100000210019_100000211839 [0,2,0,0,0,0|1,0,0]=3 20810 B17R2.41893 Cc1ccccc1CNc2cccc(c2)Cl 207a_100000185859_100000211143 [0,2,0,0,0,0|1,0,0]=3 20811 B17R2.41893 Cc1ccccc1CNc2cccc(c2)Cl 270302a_100000185859_100000211143 [0,2,0,0,0,0|1,0,0]=3 20812 B17R2.41893 Cc1ccccc1CNc2cccc(c2)Cl 34a_100000185859_100000211839 [0,2,0,0,0,0|1,0,0]=3 20813 B17R2.41893 Cc1ccccc1CNc2cccc(c2)F 207a_100000210047_100000211143 [0,2,0,0,0,0|1,0,0]=3 20814 B17R2.41893 Cc1ccccc1CNc2cccc(c2)F 270302a_100000210047_100000211143 [0,2,0,0,0,0|1,0,0]=3 20815 B17R2.41893 Cc1ccccc1CNc2cccc(c2)F 34a_100000210047_100000211839 [0,2,0,0,0,0|1,0,0]=3 20816 B17R2.41893 Cc1ccccc1CNc2cccc(c2)I 207a_100000211102_100000211143 [0,2,0,0,0,0|1,0,0]=3 20817 B17R2.41893 Cc1ccccc1CNc2cccc(c2)I 270302a_100000211102_100000211143 [0,2,0,0,0,0|1,0,0]=3 20818 B17R2.41893 Cc1ccccc1CNc2cccc(c2)I 34a_100000211102_100000211839 [0,2,0,0,0,0|1,0,0]=3 20819 B17R2.41893 Cc1ccccc1CNc2cccc(c2)O 270302a_100000210217_100000211143 [0,2,0,0,0,0|1,0,0]=3 20820 B17R2.41893 Cc1ccccc1CNc2cccc(c2)O 34a_100000210217_100000211839 [0,2,0,0,0,0|1,0,0]=3 20821 B17R2.41893 Cc1ccccc1CNc2cccc(n2)F 27a_100000174972_100009815982 [0,2,0,0,0,0|2,0,0]=4 20822 B17R2.41893 Cc1ccccc1CNc2ccnc(c2)F 27a_100000174972_100009816116 [0,2,0,0,0,0|2,0,0]=4 20823 B17R2.41893 Cc1ccccc1COc2cccc(c2)Br 34a_100000210342_100000211839 [0,2,0,0,0,0|2,0,0]=4 20824 B17R2.41893 Cc1ccccc1COc2cccc(c2)Br 7a_100000210342_100000211839 [0,2,0,0,0,0|2,0,0]=4 20825 B17R2.41893 Cc1ccccc1COc2cccc(c2)Cl 34a_100000210295_100000211839 [0,2,0,0,0,0|2,0,0]=4 20826 B17R2.41893 Cc1ccccc1COc2cccc(c2)Cl 7a_100000210295_100000211839 [0,2,0,0,0,0|2,0,0]=4 20827 B17R2.41893 Cc1ccccc1COc2cccc(c2)F 34a_100000210426_100000211839 [0,2,0,0,0,0|2,0,0]=4 20828 B17R2.41893 Cc1ccccc1COc2cccc(c2)F 7a_100000210426_100000211839 [0,2,0,0,0,0|2,0,0]=4 20829 B17R2.41893 Cc1ccccc1COc2cccc(c2)I 34a_100000211634_100000211839 [0,2,0,0,0,0|2,0,0]=4 20830 B17R2.41893 Cc1ccccc1COc2cccc(c2)I 7a_100000211634_100000211839 [0,2,0,0,0,0|2,0,0]=4 20831 B17R2.41893 Cc1ccccc1COc2cccc(c2)N 34a_100000210217_100000211839 [0,2,0,0,0,0|2,0,0]=4 20832 B17R2.41893 Cc1ccccc1COc2cccc(c2)O 271570a_203496583355_200000151848 [0,2,0,0,0,0|2,0,0]=4 20833 B17R2.41893 Cc1ccccc1COc2cncc(c2)Br 34a_100000754920_100000211839 [0,2,0,0,0,0|2,0,0]=4 20834 B17R2.41893 Cc1ccccc1COc2cncc(c2)Br 7a_100000754920_100000211839 [0,2,0,0,0,0|2,0,0]=4 20835 B17R2.41893 Cc1ccccc1COc2cncc(c2)Cl 7a_100000032511_100000211839 [0,2,0,0,0,0|2,0,0]=4 20836 B17R2.41893 Cc1ccccc1COc2cncc(c2)F 34a_100011830296_100000211839 [0,2,0,0,0,0|2,0,0]=4 20837 B17R2.41893 Cc1ccccc1COc2cncc(c2)F 7a_100011830296_100000211839 [0,2,0,0,0,0|2,0,0]=4 20838 B17R2.41893 Cc1ccccc1COc2cncc(c2)N 34a_100011997051_100000211839 [0,2,0,0,0,0|2,0,0]=4 20839 B17R2.41893 Cc1ccccc1CSc2cccc(c2)Br 62a_100000211839_100000691529 [0,2,0,0,0,0|2,0,0]=4 20840 B17R2.41893 Cc1ccccc1CSc2cccc(c2)Br 62a_100000691529_100000211839 [0,2,0,0,0,0|2,0,0]=4 20841 B17R2.41893 Cc1ccccc1CSc2cccc(c2)Cl 62a_100000211839_100000699651 [0,2,0,0,0,0|2,0,0]=4 20842 B17R2.41893 Cc1ccccc1CSc2cccc(c2)Cl 62a_100000699651_100000211839 [0,2,0,0,0,0|2,0,0]=4 20843 B17R2.41893 Cc1ccccc1CSc2cccc(c2)F 62a_100000211839_100000685547 [0,2,0,0,0,0|2,0,0]=4 20844 B17R2.41893 Cc1ccccc1CSc2cccc(c2)F 62a_100000685547_100000211839 [0,2,0,0,0,0|2,0,0]=4 20845 B17R2.41893 Cc1ccccc1CSc2cccc(c2)N 62a_100000210019_100000211839 [0,2,0,0,0,0|2,0,0]=4 20846 B17R2.41893 Cc1ccccc1CSc2cccc(c2)N 62a_100000211839_100000210019 [0,2,0,0,0,0|2,0,0]=4 20847 B17R2.41893 Cc1ccccc1CSc2cccc(c2)O 62a_100000211839_100000211634 [0,2,0,0,0,0|2,0,0]=4 20848 B17R2.41893 Cc1ccccc1CSc2cccc(c2)[S] 62a_100000211839_114929384022 [0,2,0,0,0,0|2,0,0]=4 20849 B17R2.41893 Cc1ccccc1CSc2cccc(c2)[S] 62a_114929384022_100000211839 [0,2,0,0,0,0|2,0,0]=4 20850 B17R2.41893 Cc1ccccc1CSc2cncc(c2)Br 62a_100000211839_100000728054 [0,2,0,0,0,0|2,0,0]=4 20851 B17R2.41893 Cc1ccccc1CSc2cncc(c2)Br 62a_100000728054_100000211839 [0,2,0,0,0,0|2,0,0]=4 20852 B17R2.41893 Cc1ccccc1CSc2cncc(c2)Cl 62a_100000049639_100000211839 [0,2,0,0,0,0|2,0,0]=4 20853 B17R2.41893 Cc1ccccc1CSc2cncc(c2)Cl 62a_100000211839_100000049639 [0,2,0,0,0,0|2,0,0]=4 20854 B17R2.41893 Cc1ccccc1CSc2cncc(c2)F 62a_100000211839_100000744099 [0,2,0,0,0,0|2,0,0]=4 20855 B17R2.41893 Cc1ccccc1CSc2cncc(c2)F 62a_100000744099_100000211839 [0,2,0,0,0,0|2,0,0]=4 20856 B17R2.41893 Cc1ccccc1CSc2cncc(c2)N 62a_100000211839_100000687067 [0,2,0,0,0,0|2,0,0]=4 20857 B17R2.41893 Cc1ccccc1CSc2cncc(c2)N 62a_100000687067_100000211839 [0,2,0,0,0,0|2,0,0]=4 20858 B17R2.41893 Cc1ccccc1CSc2cncc(c2)O 62a_100000211839_100000754920 [0,2,0,0,0,0|2,0,0]=4 20859 B17R2.41893 Cc1ccccc1CSc2cncc(c2)O 62a_100000754920_100000211839 [0,2,0,0,0,0|2,0,0]=4 20860 B17R2.41893 Cc1ccccc1NCc2cc(ccn2)Br 34a_100015192222_100010173614 [0,2,0,0,0,0|2,0,0]=4 20861 B17R2.41893 Cc1ccccc1NCc2cc(ccn2)Cl 34a_100015192222_100016988179 [0,2,0,0,0,0|2,0,0]=4 20862 B17R2.41893 Cc1ccccc1NCc2cccc(=O)[nH]2 207a_100015192222_100011935257 [0,2,0,0,0,0|2,0,0]=4 20863 B17R2.41893 Cc1ccccc1NCc2cccc(c2)Br 207a_100015192222_100000210085 [0,2,0,0,0,0|1,0,0]=3 20864 B17R2.41893 Cc1ccccc1NCc2cccc(c2)Br 270302a_100015192222_100000210085 [0,2,0,0,0,0|1,0,0]=3 20865 B17R2.41893 Cc1ccccc1NCc2cccc(c2)Br 34a_100015192222_100000698116 [0,2,0,0,0,0|1,0,0]=3 20866 B17R2.41893 Cc1ccccc1NCc2cccc(c2)Cl 207a_100015192222_100000210801 [0,2,0,0,0,0|1,0,0]=3 20867 B17R2.41893 Cc1ccccc1NCc2cccc(c2)Cl 270302a_100015192222_100000210801 [0,2,0,0,0,0|1,0,0]=3 20868 B17R2.41893 Cc1ccccc1NCc2cccc(c2)Cl 34a_100015192222_100000187163 [0,2,0,0,0,0|1,0,0]=3 20869 B17R2.41893 Cc1ccccc1NCc2cccc(c2)F 207a_100015192222_100000210812 [0,2,0,0,0,0|1,0,0]=3 20870 B17R2.41893 Cc1ccccc1NCc2cccc(c2)F 270302a_100015192222_100000210812 [0,2,0,0,0,0|1,0,0]=3 20871 B17R2.41893 Cc1ccccc1NCc2cccc(c2)F 34a_100015192222_100000187166 [0,2,0,0,0,0|1,0,0]=3 20872 B17R2.41893 Cc1ccccc1NCc2cccc(c2)I 207a_100015192222_100000014684 [0,2,0,0,0,0|1,0,0]=3 20873 B17R2.41893 Cc1ccccc1NCc2cccc(c2)I 270302a_100015192222_100000014684 [0,2,0,0,0,0|1,0,0]=3 20874 B17R2.41893 Cc1ccccc1NCc2cccc(c2)I 34a_100015192222_100011218688 [0,2,0,0,0,0|1,0,0]=3 20875 B17R2.41893 Cc1ccccc1NCc2cccc(c2)O 207a_100015192222_100000188321 [0,2,0,0,0,0|1,0,0]=3 20876 B17R2.41893 Cc1ccccc1NCc2cccc(c2)O 34a_100015192222_100011660834 [0,2,0,0,0,0|1,0,0]=3 20877 B17R2.41893 Cc1ccccc1NCc2cccc(n2)Br 34a_100015192222_100009889011 [0,2,0,0,0,0|2,0,0]=4 20878 B17R2.41893 Cc1ccccc1NCc2cccc(n2)Cl 34a_100015192222_100000086093 [0,2,0,0,0,0|2,0,0]=4 20879 B17R2.41893 Cc1ccccc1NCc2cccc(n2)F 34a_100015192222_100009819644 [0,2,0,0,0,0|2,0,0]=4 20880 B17R2.41893 Cc1ccccc1NCc2ccnc(c2)Br 34a_100015192222_100010243470 [0,2,0,0,0,0|2,0,0]=4 20881 B17R2.41893 Cc1ccccc1NCc2ccnc(c2)Cl 34a_100015192222_100000764220 [0,2,0,0,0,0|2,0,0]=4 20882 B17R2.41893 Cc1ccccc1NCc2ccnc(c2)O 207a_100015192222_100000688113 [0,2,0,0,0,0|2,0,0]=4 20883 B17R2.41893 Cc1ccccc1NCc2cncc(c2)Br 207a_100015192222_100000687066 [0,2,0,0,0,0|0,0,0]=2 20884 B17R2.41893 Cc1ccccc1NCc2cncc(c2)Br 270302a_100015192222_100000687066 [0,2,0,0,0,0|0,0,0]=2 20885 B17R2.41893 Cc1ccccc1NCc2cncc(c2)Br 34a_100015192222_100000738771 [0,2,0,0,0,0|0,0,0]=2 20886 B17R2.41893 Cc1ccccc1NCc2cncc(c2)Cl 207a_100015192222_100000088910 [0,2,0,0,0,0|0,0,0]=2 20887 B17R2.41893 Cc1ccccc1NCc2cncc(c2)Cl 270302a_100015192222_100000088910 [0,2,0,0,0,0|0,0,0]=2 20888 B17R2.41893 Cc1ccccc1NCc2cncc(c2)Cl 34a_100015192222_100016992070 [0,2,0,0,0,0|0,0,0]=2 20889 B17R2.41893 Cc1ccccc1NCc2cncc(c2)F 207a_100015192222_100011361476 [0,2,0,0,0,0|0,0,0]=2 20890 B17R2.41893 Cc1ccccc1NCc2cncc(c2)F 270302a_100015192222_100011361476 [0,2,0,0,0,0|0,0,0]=2 20891 B17R2.41893 Cc1ccccc1NCc2cncc(c2)F 34a_100015192222_100000725299 [0,2,0,0,0,0|0,0,0]=2 20892 B17R2.41893 Cc1ccccc1NCc2cncc(c2)O 207a_100015192222_100012187055 [0,2,0,0,0,0|0,0,0]=2 20893 B17R2.41893 Cc1ccccc1OCc2cccc(c2)Br 34a_100000210338_100000698116 [0,2,0,0,0,0|2,0,0]=4 20894 B17R2.41893 Cc1ccccc1OCc2cccc(c2)Br 7a_100000210338_100000211773 [0,2,0,0,0,0|2,0,0]=4 20895 B17R2.41893 Cc1ccccc1OCc2cccc(c2)Cl 34a_100000210338_100000187163 [0,2,0,0,0,0|2,0,0]=4 20896 B17R2.41893 Cc1ccccc1OCc2cccc(c2)Cl 7a_100000210338_100000187163 [0,2,0,0,0,0|2,0,0]=4 20897 B17R2.41893 Cc1ccccc1OCc2cccc(c2)F 34a_100000210338_100000187166 [0,2,0,0,0,0|2,0,0]=4 20898 B17R2.41893 Cc1ccccc1OCc2cccc(c2)F 7a_100000210338_100000230114 [0,2,0,0,0,0|2,0,0]=4 20899 B17R2.41893 Cc1ccccc1OCc2cccc(c2)I 34a_100000210338_100011218688 [0,2,0,0,0,0|2,0,0]=4 20900 B17R2.41893 Cc1ccccc1OCc2cccc(c2)I 7a_100000210338_100011218688 [0,2,0,0,0,0|2,0,0]=4 20901 B17R2.41893 Cc1ccccc1OCc2cccc(c2)O 34a_100000210338_100011660834 [0,2,0,0,0,0|2,0,0]=4 20902 B17R2.41893 Cc1ccccc1OCc2cccc(c2)O 7a_100000210338_100000084143 [0,2,0,0,0,0|2,0,0]=4 20903 B17R2.41893 Cc1ccccc1OCc2cncc(c2)Br 34a_100000210338_100000738771 [0,2,0,0,0,0|1,0,0]=3 20904 B17R2.41893 Cc1ccccc1OCc2cncc(c2)Br 7a_100000210338_100000738771 [0,2,0,0,0,0|1,0,0]=3 20905 B17R2.41893 Cc1ccccc1OCc2cncc(c2)Cl 34a_100000210338_100016992070 [0,2,0,0,0,0|1,0,0]=3 20906 B17R2.41893 Cc1ccccc1OCc2cncc(c2)Cl 7a_100000210338_100016992070 [0,2,0,0,0,0|1,0,0]=3 20907 B17R2.41893 Cc1ccccc1OCc2cncc(c2)F 34a_100000210338_100000725299 [0,2,0,0,0,0|1,0,0]=3 20908 B17R2.41893 Cc1ccccc1OCc2cncc(c2)F 7a_100000210338_100000725299 [0,2,0,0,0,0|1,0,0]=3 20909 B17R2.41893 Cc1ccccc1SCc2cccc(c2)Br 62a_100000210755_100000211773 [0,2,0,0,0,0|2,0,0]=4 20910 B17R2.41893 Cc1ccccc1SCc2cccc(c2)Br 62a_100000211773_100000210755 [0,2,0,0,0,0|2,0,0]=4 20911 B17R2.41893 Cc1ccccc1SCc2cccc(c2)Cl 62a_100000187163_100000210755 [0,2,0,0,0,0|2,0,0]=4 20912 B17R2.41893 Cc1ccccc1SCc2cccc(c2)Cl 62a_100000210755_100000187163 [0,2,0,0,0,0|2,0,0]=4 20913 B17R2.41893 Cc1ccccc1SCc2cccc(c2)F 62a_100000210755_100000230114 [0,2,0,0,0,0|2,0,0]=4 20914 B17R2.41893 Cc1ccccc1SCc2cccc(c2)F 62a_100000230114_100000210755 [0,2,0,0,0,0|2,0,0]=4 20915 B17R2.41893 Cc1ccccc1SCc2cccc(c2)I 62a_100000210755_100011218688 [0,2,0,0,0,0|2,0,0]=4 20916 B17R2.41893 Cc1ccccc1SCc2cccc(c2)I 62a_100011218688_100000210755 [0,2,0,0,0,0|2,0,0]=4 20917 B17R2.41893 Cc1ccccc1SCc2cccc(c2)O 62a_100000210755_100011660834 [0,2,0,0,0,0|2,0,0]=4 20918 B17R2.41893 Cc1ccccc1SCc2cccc(c2)O 62a_100011660834_100000210755 [0,2,0,0,0,0|2,0,0]=4 20919 B17R2.41893 Cc1ccccc1SCc2cncc(c2)Br 62a_100000210755_100000738771 [0,2,0,0,0,0|1,0,0]=3 20920 B17R2.41893 Cc1ccccc1SCc2cncc(c2)Br 62a_100000738771_100000210755 [0,2,0,0,0,0|1,0,0]=3 20921 B17R2.41893 Cc1ccccc1SCc2cncc(c2)Cl 62a_100000210755_100016992070 [0,2,0,0,0,0|1,0,0]=3 20922 B17R2.41893 Cc1ccccc1SCc2cncc(c2)Cl 62a_100016992070_100000210755 [0,2,0,0,0,0|1,0,0]=3 20923 B17R2.41893 Cc1ccccc1SCc2cncc(c2)F 62a_100000210755_100000725299 [0,2,0,0,0,0|1,0,0]=3 20924 B17R2.41893 Cc1ccccc1SCc2cncc(c2)F 62a_100000725299_100000210755 [0,2,0,0,0,0|1,0,0]=3 20925 B17R2.41893 Cc1cccnc1CNc2cccc(c2)Br 207a_100000210019_100000698913 [0,2,0,0,0,0|2,0,0]=4 20926 B17R2.41893 Cc1cccnc1CNc2cccc(c2)Br 34a_100000210019_100000696600 [0,2,0,0,0,0|2,0,0]=4 20927 B17R2.41893 Cc1cccnc1CNc2cccc(c2)Cl 207a_100000185859_100000698913 [0,2,0,0,0,0|2,0,0]=4 20928 B17R2.41893 Cc1cccnc1CNc2cccc(c2)Cl 34a_100000185859_100000696600 [0,2,0,0,0,0|2,0,0]=4 20929 B17R2.41893 Cc1cccnc1CNc2cccc(c2)F 207a_100000210047_100000698913 [0,2,0,0,0,0|2,0,0]=4 20930 B17R2.41893 Cc1cccnc1CNc2cccc(c2)F 34a_100000210047_100000696600 [0,2,0,0,0,0|2,0,0]=4 20931 B17R2.41893 Cc1cccnc1CNc2cccc(c2)I 207a_100000211102_100000698913 [0,2,0,0,0,0|2,0,0]=4 20932 B17R2.41893 Cc1cccnc1CNc2cccc(c2)I 34a_100000211102_100000696600 [0,2,0,0,0,0|2,0,0]=4 20933 B17R2.41893 Cc1cccnc1CNc2cccc(c2)O 34a_100000210217_100000696600 [0,2,0,0,0,0|2,0,0]=4 20934 B17R2.41893 Cc1cccnc1SCc2cncc(c2)Br 62a_100000738771_100000751373 [0,2,0,0,0,0|2,0,0]=4 20935 B17R2.41893 Cc1cccnc1SCc2cncc(c2)Br 62a_100000751373_100000738771 [0,2,0,0,0,0|2,0,0]=4 20936 B17R2.41893 Cc1cccnc1SCc2cncc(c2)Cl 62a_100000751373_100016992070 [0,2,0,0,0,0|2,0,0]=4 20937 B17R2.41893 Cc1cccnc1SCc2cncc(c2)Cl 62a_100016992070_100000751373 [0,2,0,0,0,0|2,0,0]=4 20938 B17R2.41893 Cc1cccnc1SCc2cncc(c2)F 62a_100000725299_100000751373 [0,2,0,0,0,0|2,0,0]=4 20939 B17R2.41893 Cc1cccnc1SCc2cncc(c2)F 62a_100000751373_100000725299 [0,2,0,0,0,0|2,0,0]=4 20940 B17R2.41893 Cc1ccnc(c1)CNc2ccccc2Br 207a_100000210017_100011361488 [0,2,0,0,0,0|2,0,0]=4 20941 B17R2.41893 Cc1ccnc(c1)CNc2ccccc2Br 34a_100000210017_100000718516 [0,2,0,0,0,0|2,0,0]=4 20942 B17R2.41893 Cc1ccnc(c1)CNc2ccccc2C 207a_100015192222_100011361488 [0,2,0,0,0,0|2,0,0]=4 20943 B17R2.41893 Cc1ccnc(c1)CNc2ccccc2C 34a_100015192222_100000718516 [0,2,0,0,0,0|2,0,0]=4 20944 B17R2.41893 Cc1ccnc(c1)CNc2ccccc2Cl 207a_100000185783_100011361488 [0,2,0,0,0,0|2,0,0]=4 20945 B17R2.41893 Cc1ccnc(c1)CNc2ccccc2Cl 34a_100000185783_100000718516 [0,2,0,0,0,0|2,0,0]=4 20946 B17R2.41893 Cc1ccnc(c1)CNc2ccccc2F 207a_100000210422_100011361488 [0,2,0,0,0,0|2,0,0]=4 20947 B17R2.41893 Cc1ccnc(c1)CNc2ccccc2F 34a_100000210422_100000718516 [0,2,0,0,0,0|2,0,0]=4 20948 B17R2.41893 Cc1ccnc(c1)CNc2ccccc2I 207a_100000210053_100011361488 [0,2,0,0,0,0|2,0,0]=4 20949 B17R2.41893 Cc1ccnc(c1)CNc2ccccc2I 34a_100000210053_100000718516 [0,2,0,0,0,0|2,0,0]=4 20950 B17R2.41893 Cc1ccnc(c1)CNc2ccccc2O 34a_100000185747_100000718516 [0,2,0,0,0,0|2,0,0]=4 20951 B17R2.41893 Cc1ccnc(c1)SCc2cccnc2Br 62a_100000750283_100010140945 [0,2,0,0,0,0|2,0,0]=4 20952 B17R2.41893 Cc1ccnc(c1)SCc2cccnc2Br 62a_100010140945_100000750283 [0,2,0,0,0,0|2,0,0]=4 20953 B17R2.41893 Cc1ccnc(c1)SCc2cccnc2C 62a_100000732876_100000750283 [0,2,0,0,0,0|2,0,0]=4 20954 B17R2.41893 Cc1ccnc(c1)SCc2cccnc2C 62a_100000750283_100000732876 [0,2,0,0,0,0|2,0,0]=4 20955 B17R2.41893 Cc1ccnc(c1)SCc2cccnc2Cl 62a_100000045678_100000750283 [0,2,0,0,0,0|2,0,0]=4 20956 B17R2.41893 Cc1ccnc(c1)SCc2cccnc2Cl 62a_100000750283_100000045678 [0,2,0,0,0,0|2,0,0]=4 20957 B17R2.41893 Cc1ccnc(c1)SCc2cccnc2F 62a_100000099810_100000750283 [0,2,0,0,0,0|2,0,0]=4 20958 B17R2.41893 Cc1ccnc(c1)SCc2cccnc2F 62a_100000750283_100000099810 [0,2,0,0,0,0|2,0,0]=4 20959 B17R2.41893 Cc1ccnc(c1)SCc2cnccc2C 62a_100000690890_100000750283 [0,2,0,0,0,0|2,0,0]=4 20960 B17R2.41893 Cc1ccnc(c1)SCc2cnccc2C 62a_100000750283_100000690890 [0,2,0,0,0,0|2,0,0]=4 20961 B17R2.41893 Cc1ccnc(n1)NCc2cccnc2Br 27a_100009818023_100000750684 [0,2,0,0,0,0|2,0,0]=4 20962 B17R2.41893 Cc1ccnc(n1)NCc2cccnc2Cl 27a_100015189234_100000750684 [0,2,0,0,0,0|2,0,0]=4 20963 B17R2.41893 Cc1ccnc(n1)NCc2cccnc2F 27a_100000724633_100000750684 [0,2,0,0,0,0|2,0,0]=4 20964 B17R2.41893 Cc1ccnc(n1)NCc2cnccc2C 27a_100011997553_100000750684 [0,2,0,0,0,0|2,0,0]=4 20965 B17R2.41893 Cc1ccncc1C=Cc2cccc(c2)Cl 271570a_100102525933_100000761580 [0,2,0,0,0,0|1,0,1]=4 20966 B17R2.41893 Cc1ccncc1C=Cc2cccc(c2)F 271570a_100102525537_100000761580 [0,2,0,0,0,0|1,0,1]=4 20967 B17R2.41893 Cc1ccncc1CNc2c[n+](ccn2)[O-] 27a_100011997553_100009880115 [0,2,0,0,0,0|2,0,0]=4 20968 B17R2.41893 Cc1ccncc1CNc2cc(ccn2)F 27a_100011997553_100000764206 [0,2,0,0,0,0|1,0,0]=3 20969 B17R2.41893 Cc1ccncc1CNc2cc(ncn2)F 27a_100011997553_200009880791 [0,2,0,0,0,0|2,0,0]=4 20970 B17R2.41893 Cc1ccncc1CNc2cc(ncn2)N 27a_100011997553_100000701291 [0,2,0,0,0,0|2,0,0]=4 20971 B17R2.41893 Cc1ccncc1CNc2cc(ncn2)O 27a_100011997553_100000765262 [0,2,0,0,0,0|2,0,0]=4 20972 B17R2.41893 Cc1ccncc1CNc2cc[nH]c(=O)c2 27a_100011997553_100000061649 [0,2,0,0,0,0|1,0,0]=3 20973 B17R2.41893 Cc1ccncc1CNc2cc[nH]c(=O)n2 27a_100011997553_200000134032 [0,2,0,0,0,0|2,0,0]=4 20974 B17R2.41893 Cc1ccncc1CNc2cccc(c2)Br 207a_100000210019_100000685662 [0,2,0,0,0,0|0,0,0]=2 20975 B17R2.41893 Cc1ccncc1CNc2cccc(c2)Br 34a_100000210019_100000690890 [0,2,0,0,0,0|0,0,0]=2 20976 B17R2.41893 Cc1ccncc1CNc2cccc(c2)Cl 207a_100000185859_100000685662 [0,2,0,0,0,0|0,0,0]=2 20977 B17R2.41893 Cc1ccncc1CNc2cccc(c2)Cl 34a_100000185859_100000690890 [0,2,0,0,0,0|0,0,0]=2 20978 B17R2.41893 Cc1ccncc1CNc2cccc(c2)F 207a_100000210047_100000685662 [0,2,0,0,0,0|0,0,0]=2 20979 B17R2.41893 Cc1ccncc1CNc2cccc(c2)F 34a_100000210047_100000690890 [0,2,0,0,0,0|0,0,0]=2 20980 B17R2.41893 Cc1ccncc1CNc2cccc(c2)I 207a_100000211102_100000685662 [0,2,0,0,0,0|0,0,0]=2 20981 B17R2.41893 Cc1ccncc1CNc2cccc(c2)I 34a_100000211102_100000690890 [0,2,0,0,0,0|0,0,0]=2 20982 B17R2.41893 Cc1ccncc1CNc2cccc(c2)O 34a_100000210217_100000690890 [0,2,0,0,0,0|0,0,0]=2 20983 B17R2.41893 Cc1ccncc1CNc2cccc(n2)F 27a_100011997553_100009815982 [0,2,0,0,0,0|1,0,0]=3 20984 B17R2.41893 Cc1ccncc1CNc2ccnc(c2)F 27a_100011997553_100009816116 [0,2,0,0,0,0|1,0,0]=3 20985 B17R2.41893 Cc1ccncc1CNc2ccnc(n2)N 27a_100011997553_100000055538 [0,2,0,0,0,0|2,0,0]=4 20986 B17R2.41893 Cc1ccncc1CNc2cncc(n2)Cl 27a_100011997553_100010892449 [0,2,0,0,0,0|2,0,0]=4 20987 B17R2.41893 Cc1ccncc1CNc2cncc(n2)F 27a_100011997553_200009863489 [0,2,0,0,0,0|2,0,0]=4 20988 B17R2.41893 Cc1ccncc1CNc2nccc(n2)N 27a_100011997553_100000757536 [0,2,0,0,0,0|2,0,0]=4 20989 B17R2.41893 Cc1ccncc1CNc2nccc(n2)O 27a_100011997553_100011649813 [0,2,0,0,0,0|2,0,0]=4 20990 B17R2.41893 Cc1ccncc1COc2cc[nH]c(=O)c2 34a_100000032262_100000690890 [0,2,0,0,0,0|2,0,0]=4 20991 B17R2.41893 Cc1ccncc1COc2ccc[n+](c2)[O-] 34a_100000039713_100000690890 [0,2,0,0,0,0|2,0,0]=4 20992 B17R2.41893 Cc1ccncc1COc2ccc[n+](c2)[O-] 7a_100000039713_100000690890 [0,2,0,0,0,0|2,0,0]=4 20993 B17R2.41893 Cc1ccncc1COc2cccc(=O)[nH]2 34a_100000033347_100000690890 [0,2,0,0,0,0|2,0,0]=4 20994 B17R2.41893 Cc1ccncc1COc2cccc(c2)Br 34a_100000210342_100000690890 [0,2,0,0,0,0|1,0,0]=3 20995 B17R2.41893 Cc1ccncc1COc2cccc(c2)Br 7a_100000210342_100000690890 [0,2,0,0,0,0|1,0,0]=3 20996 B17R2.41893 Cc1ccncc1COc2cccc(c2)Cl 34a_100000210295_100000690890 [0,2,0,0,0,0|1,0,0]=3 20997 B17R2.41893 Cc1ccncc1COc2cccc(c2)Cl 7a_100000210295_100000690890 [0,2,0,0,0,0|1,0,0]=3 20998 B17R2.41893 Cc1ccncc1COc2cccc(c2)F 34a_100000210426_100000690890 [0,2,0,0,0,0|1,0,0]=3 20999 B17R2.41893 Cc1ccncc1COc2cccc(c2)F 7a_100000210426_100000690890 [0,2,0,0,0,0|1,0,0]=3 21000 B17R2.41893 Cc1ccncc1COc2cccc(c2)I 34a_100000211634_100000690890 [0,2,0,0,0,0|1,0,0]=3 21001 B17R2.41893 Cc1ccncc1COc2cccc(c2)I 7a_100000211634_100000690890 [0,2,0,0,0,0|1,0,0]=3 21002 B17R2.41893 Cc1ccncc1COc2cccc(c2)N 34a_100000210217_100000690890 [0,2,0,0,0,0|1,0,0]=3 21003 B17R2.41893 Cc1ccncc1COc2cccc(n2)F 34a_100011432558_100000690890 [0,2,0,0,0,0|2,0,0]=4 21004 B17R2.41893 Cc1ccncc1COc2ccnc(c2)Cl 34a_100000762945_100000690890 [0,2,0,0,0,0|2,0,0]=4 21005 B17R2.41893 Cc1ccncc1COc2ccnc(c2)F 34a_100000732698_100000690890 [0,2,0,0,0,0|2,0,0]=4 21006 B17R2.41893 Cc1ccncc1COc2ccnc(c2)N 34a_100011834064_100000690890 [0,2,0,0,0,0|2,0,0]=4 21007 B17R2.41893 Cc1ccncc1COc2cncc(c2)Br 34a_100000754920_100000690890 [0,2,0,0,0,0|2,0,0]=4 21008 B17R2.41893 Cc1ccncc1COc2cncc(c2)Br 7a_100000754920_100000690890 [0,2,0,0,0,0|2,0,0]=4 21009 B17R2.41893 Cc1ccncc1COc2cncc(c2)Cl 7a_100000032511_100000690890 [0,2,0,0,0,0|2,0,0]=4 21010 B17R2.41893 Cc1ccncc1COc2cncc(c2)F 34a_100011830296_100000690890 [0,2,0,0,0,0|2,0,0]=4 21011 B17R2.41893 Cc1ccncc1COc2cncc(c2)F 7a_100011830296_100000690890 [0,2,0,0,0,0|2,0,0]=4 21012 B17R2.41893 Cc1ccncc1COc2cncc(c2)N 34a_100011997051_100000690890 [0,2,0,0,0,0|2,0,0]=4 21013 B17R2.41893 Cc1ccncc1CSc2cc(=O)cc[nH]2 62a_100009817434_100000690890 [0,2,0,0,0,0|2,0,0]=4 21014 B17R2.41893 Cc1ccncc1CSc2cc(ccn2)Cl 62a_100000690890_100010167805 [0,2,0,0,0,0|2,0,0]=4 21015 B17R2.41893 Cc1ccncc1CSc2cc(ccn2)Cl 62a_100010167805_100000690890 [0,2,0,0,0,0|2,0,0]=4 21016 B17R2.41893 Cc1ccncc1CSc2cc(ccn2)F 62a_100000690890_100000764206 [0,2,0,0,0,0|2,0,0]=4 21017 B17R2.41893 Cc1ccncc1CSc2cc(ccn2)F 62a_100000764206_100000690890 [0,2,0,0,0,0|2,0,0]=4 21018 B17R2.41893 Cc1ccncc1CSc2cc(ccn2)N 62a_100000690890_100009814236 [0,2,0,0,0,0|2,0,0]=4 21019 B17R2.41893 Cc1ccncc1CSc2cc(ccn2)N 62a_100009814236_100000690890 [0,2,0,0,0,0|2,0,0]=4 21020 B17R2.41893 Cc1ccncc1CSc2cc(ccn2)O 62a_100000690890_100000762945 [0,2,0,0,0,0|2,0,0]=4 21021 B17R2.41893 Cc1ccncc1CSc2cc[nH]c(=O)c2 62a_100000690890_100009816521 [0,2,0,0,0,0|2,0,0]=4 21022 B17R2.41893 Cc1ccncc1CSc2cc[nH]c(=O)c2 62a_100009816521_100000690890 [0,2,0,0,0,0|2,0,0]=4 21023 B17R2.41893 Cc1ccncc1CSc2ccc[n+](c2)C 62a_100000690890_100009996589 [0,2,0,0,0,0|2,0,0]=4 21024 B17R2.41893 Cc1ccncc1CSc2ccc[n+](c2)C 62a_100009996589_100000690890 [0,2,0,0,0,0|2,0,0]=4 21025 B17R2.41893 Cc1ccncc1CSc2ccc[n+](c2)[O-] 62a_100000690890_100009815978 [0,2,0,0,0,0|2,0,0]=4 21026 B17R2.41893 Cc1ccncc1CSc2cccc(=O)[nH]2 62a_100000690890_100000752884 [0,2,0,0,0,0|2,0,0]=4 21027 B17R2.41893 Cc1ccncc1CSc2cccc(c2)Br 62a_100000690890_100000691529 [0,2,0,0,0,0|1,0,0]=3 21028 B17R2.41893 Cc1ccncc1CSc2cccc(c2)Br 62a_100000691529_100000690890 [0,2,0,0,0,0|1,0,0]=3 21029 B17R2.41893 Cc1ccncc1CSc2cccc(c2)Cl 62a_100000690890_100000699651 [0,2,0,0,0,0|1,0,0]=3 21030 B17R2.41893 Cc1ccncc1CSc2cccc(c2)Cl 62a_100000699651_100000690890 [0,2,0,0,0,0|1,0,0]=3 21031 B17R2.41893 Cc1ccncc1CSc2cccc(c2)F 62a_100000685547_100000690890 [0,2,0,0,0,0|1,0,0]=3 21032 B17R2.41893 Cc1ccncc1CSc2cccc(c2)F 62a_100000690890_100000685547 [0,2,0,0,0,0|1,0,0]=3 21033 B17R2.41893 Cc1ccncc1CSc2cccc(c2)N 62a_100000210019_100000690890 [0,2,0,0,0,0|1,0,0]=3 21034 B17R2.41893 Cc1ccncc1CSc2cccc(c2)N 62a_100000690890_100000210019 [0,2,0,0,0,0|1,0,0]=3 21035 B17R2.41893 Cc1ccncc1CSc2cccc(c2)O 62a_100000690890_100000211634 [0,2,0,0,0,0|1,0,0]=3 21036 B17R2.41893 Cc1ccncc1CSc2cccc(c2)[S] 62a_100000690890_114929384022 [0,2,0,0,0,0|1,0,0]=3 21037 B17R2.41893 Cc1ccncc1CSc2cccc(c2)[S] 62a_114929384022_100000690890 [0,2,0,0,0,0|1,0,0]=3 21038 B17R2.41893 Cc1ccncc1CSc2cccc(n2)Br 62a_100000684672_100000690890 [0,2,0,0,0,0|2,0,0]=4 21039 B17R2.41893 Cc1ccncc1CSc2cccc(n2)Br 62a_100000690890_100000684672 [0,2,0,0,0,0|2,0,0]=4 21040 B17R2.41893 Cc1ccncc1CSc2cccc(n2)Cl 62a_100000051397_100000690890 [0,2,0,0,0,0|2,0,0]=4 21041 B17R2.41893 Cc1ccncc1CSc2cccc(n2)Cl 62a_100000690890_100000051397 [0,2,0,0,0,0|2,0,0]=4 21042 B17R2.41893 Cc1ccncc1CSc2cccc(n2)F 62a_100000690890_100009815982 [0,2,0,0,0,0|2,0,0]=4 21043 B17R2.41893 Cc1ccncc1CSc2cccc(n2)F 62a_100009815982_100000690890 [0,2,0,0,0,0|2,0,0]=4 21044 B17R2.41893 Cc1ccncc1CSc2cccc(n2)N 62a_100000690890_100000740741 [0,2,0,0,0,0|2,0,0]=4 21045 B17R2.41893 Cc1ccncc1CSc2cccc(n2)N 62a_100000740741_100000690890 [0,2,0,0,0,0|2,0,0]=4 21046 B17R2.41893 Cc1ccncc1CSc2ccnc(c2)Br 62a_100000690890_100009814637 [0,2,0,0,0,0|2,0,0]=4 21047 B17R2.41893 Cc1ccncc1CSc2ccnc(c2)Br 62a_100009814637_100000690890 [0,2,0,0,0,0|2,0,0]=4 21048 B17R2.41893 Cc1ccncc1CSc2ccnc(c2)Cl 62a_100000035001_100000690890 [0,2,0,0,0,0|2,0,0]=4 21049 B17R2.41893 Cc1ccncc1CSc2ccnc(c2)Cl 62a_100000690890_100000035001 [0,2,0,0,0,0|2,0,0]=4 21050 B17R2.41893 Cc1ccncc1CSc2ccnc(c2)F 62a_100000690890_100009816116 [0,2,0,0,0,0|2,0,0]=4 21051 B17R2.41893 Cc1ccncc1CSc2ccnc(c2)F 62a_100009816116_100000690890 [0,2,0,0,0,0|2,0,0]=4 21052 B17R2.41893 Cc1ccncc1CSc2ccnc(c2)N 62a_100000049665_100000690890 [0,2,0,0,0,0|2,0,0]=4 21053 B17R2.41893 Cc1ccncc1CSc2ccnc(c2)N 62a_100000690890_100000049665 [0,2,0,0,0,0|2,0,0]=4 21054 B17R2.41893 Cc1ccncc1CSc2cncc(c2)Br 62a_100000690890_100000728054 [0,2,0,0,0,0|2,0,0]=4 21055 B17R2.41893 Cc1ccncc1CSc2cncc(c2)Br 62a_100000728054_100000690890 [0,2,0,0,0,0|2,0,0]=4 21056 B17R2.41893 Cc1ccncc1CSc2cncc(c2)Cl 62a_100000049639_100000690890 [0,2,0,0,0,0|2,0,0]=4 21057 B17R2.41893 Cc1ccncc1CSc2cncc(c2)Cl 62a_100000690890_100000049639 [0,2,0,0,0,0|2,0,0]=4 21058 B17R2.41893 Cc1ccncc1CSc2cncc(c2)F 62a_100000690890_100000744099 [0,2,0,0,0,0|2,0,0]=4 21059 B17R2.41893 Cc1ccncc1CSc2cncc(c2)F 62a_100000744099_100000690890 [0,2,0,0,0,0|2,0,0]=4 21060 B17R2.41893 Cc1ccncc1CSc2cncc(c2)N 62a_100000687067_100000690890 [0,2,0,0,0,0|2,0,0]=4 21061 B17R2.41893 Cc1ccncc1CSc2cncc(c2)N 62a_100000690890_100000687067 [0,2,0,0,0,0|2,0,0]=4 21062 B17R2.41893 Cc1ccncc1CSc2cncc(c2)O 62a_100000690890_100000754920 [0,2,0,0,0,0|2,0,0]=4 21063 B17R2.41893 Cc1ccncc1CSc2cncc(c2)O 62a_100000754920_100000690890 [0,2,0,0,0,0|2,0,0]=4 21064 B17R2.41893 Cc1ccncc1OCc2cccc(c2)Br 34a_100011997053_100000698116 [0,2,0,0,0,0|2,0,0]=4 21065 B17R2.41893 Cc1ccncc1OCc2cccc(c2)Br 7a_100011997053_100000211773 [0,2,0,0,0,0|2,0,0]=4 21066 B17R2.41893 Cc1ccncc1OCc2cccc(c2)Cl 34a_100011997053_100000187163 [0,2,0,0,0,0|2,0,0]=4 21067 B17R2.41893 Cc1ccncc1OCc2cccc(c2)Cl 7a_100011997053_100000187163 [0,2,0,0,0,0|2,0,0]=4 21068 B17R2.41893 Cc1ccncc1OCc2cccc(c2)F 34a_100011997053_100000187166 [0,2,0,0,0,0|2,0,0]=4 21069 B17R2.41893 Cc1ccncc1OCc2cccc(c2)F 7a_100011997053_100000230114 [0,2,0,0,0,0|2,0,0]=4 21070 B17R2.41893 Cc1ccncc1OCc2cccc(c2)I 34a_100011997053_100011218688 [0,2,0,0,0,0|2,0,0]=4 21071 B17R2.41893 Cc1ccncc1OCc2cccc(c2)I 7a_100011997053_100011218688 [0,2,0,0,0,0|2,0,0]=4 21072 B17R2.41893 Cc1ccncc1OCc2cccc(c2)O 34a_100011997053_100011660834 [0,2,0,0,0,0|2,0,0]=4 21073 B17R2.41893 Cc1ccncc1OCc2cccc(c2)O 7a_100011997053_100000084143 [0,2,0,0,0,0|2,0,0]=4 21074 B17R2.41893 Cc1ccncc1OCc2cncc(c2)Br 34a_100011997053_100000738771 [0,2,0,0,0,0|2,0,0]=4 21075 B17R2.41893 Cc1ccncc1OCc2cncc(c2)Br 7a_100011997053_100000738771 [0,2,0,0,0,0|2,0,0]=4 21076 B17R2.41893 Cc1ccncc1OCc2cncc(c2)Cl 34a_100011997053_100016992070 [0,2,0,0,0,0|2,0,0]=4 21077 B17R2.41893 Cc1ccncc1OCc2cncc(c2)Cl 7a_100011997053_100016992070 [0,2,0,0,0,0|2,0,0]=4 21078 B17R2.41893 Cc1ccncc1OCc2cncc(c2)F 34a_100011997053_100000725299 [0,2,0,0,0,0|2,0,0]=4 21079 B17R2.41893 Cc1ccncc1OCc2cncc(c2)F 7a_100011997053_100000725299 [0,2,0,0,0,0|2,0,0]=4 21080 B17R2.41893 Cc1ccncc1SCc2cccc(c2)Br 62a_100000211773_100000761580 [0,2,0,0,0,0|2,0,0]=4 21081 B17R2.41893 Cc1ccncc1SCc2cccc(c2)Br 62a_100000761580_100000211773 [0,2,0,0,0,0|2,0,0]=4 21082 B17R2.41893 Cc1ccncc1SCc2cccc(c2)Cl 62a_100000187163_100000761580 [0,2,0,0,0,0|2,0,0]=4 21083 B17R2.41893 Cc1ccncc1SCc2cccc(c2)Cl 62a_100000761580_100000187163 [0,2,0,0,0,0|2,0,0]=4 21084 B17R2.41893 Cc1ccncc1SCc2cccc(c2)F 62a_100000230114_100000761580 [0,2,0,0,0,0|2,0,0]=4 21085 B17R2.41893 Cc1ccncc1SCc2cccc(c2)F 62a_100000761580_100000230114 [0,2,0,0,0,0|2,0,0]=4 21086 B17R2.41893 Cc1ccncc1SCc2cccc(c2)I 62a_100000761580_100011218688 [0,2,0,0,0,0|2,0,0]=4 21087 B17R2.41893 Cc1ccncc1SCc2cccc(c2)I 62a_100011218688_100000761580 [0,2,0,0,0,0|2,0,0]=4 21088 B17R2.41893 Cc1ccncc1SCc2cccc(c2)O 62a_100000761580_100011660834 [0,2,0,0,0,0|2,0,0]=4 21089 B17R2.41893 Cc1ccncc1SCc2cccc(c2)O 62a_100011660834_100000761580 [0,2,0,0,0,0|2,0,0]=4 21090 B17R2.41893 Cc1ccncc1SCc2cncc(c2)Br 62a_100000738771_100000761580 [0,2,0,0,0,0|2,0,0]=4 21091 B17R2.41893 Cc1ccncc1SCc2cncc(c2)Br 62a_100000761580_100000738771 [0,2,0,0,0,0|2,0,0]=4 21092 B17R2.41893 Cc1ccncc1SCc2cncc(c2)Cl 62a_100000761580_100016992070 [0,2,0,0,0,0|2,0,0]=4 21093 B17R2.41893 Cc1ccncc1SCc2cncc(c2)Cl 62a_100016992070_100000761580 [0,2,0,0,0,0|2,0,0]=4 21094 B17R2.41893 Cc1ccncc1SCc2cncc(c2)F 62a_100000725299_100000761580 [0,2,0,0,0,0|2,0,0]=4 21095 B17R2.41893 Cc1ccncc1SCc2cncc(c2)F 62a_100000761580_100000725299 [0,2,0,0,0,0|2,0,0]=4 21096 B17R2.41893 Cc1ccnnc1NCc2cncc(c2)Br 27a_100011249555_100000089043 [0,2,0,0,0,0|2,0,0]=4 21097 B17R2.41893 Cc1ccnnc1NCc2cncc(c2)Cl 27a_200020614424_100000089043 [0,2,0,0,0,0|2,0,0]=4 21098 B17R2.41893 Cc1ccnnc1NCc2cncc(c2)F 27a_100011962886_100000089043 [0,2,0,0,0,0|2,0,0]=4 21099 B17R2.41893 Cc1cncc(c1)C=Cc2ccccc2F 271570a_200102527919_100000760492 [0,2,0,0,0,0|1,0,1]=4 21100 B17R2.41893 Cc1cncc(c1)CNc2ccccc2Br 207a_100000210017_100011998712 [0,2,0,0,0,0|0,0,0]=2 21101 B17R2.41893 Cc1cncc(c1)CNc2ccccc2Br 34a_100000210017_100000716715 [0,2,0,0,0,0|0,0,0]=2 21102 B17R2.41893 Cc1cncc(c1)CNc2ccccc2C 207a_100015192222_100011998712 [0,2,0,0,0,0|0,0,0]=2 21103 B17R2.41893 Cc1cncc(c1)CNc2ccccc2C 270302a_100015192222_100011998712 [0,2,0,0,0,0|0,0,0]=2 21104 B17R2.41893 Cc1cncc(c1)CNc2ccccc2C 34a_100015192222_100000716715 [0,2,0,0,0,0|0,0,0]=2 21105 B17R2.41893 Cc1cncc(c1)CNc2ccccc2Cl 207a_100000185783_100011998712 [0,2,0,0,0,0|0,0,0]=2 21106 B17R2.41893 Cc1cncc(c1)CNc2ccccc2Cl 34a_100000185783_100000716715 [0,2,0,0,0,0|0,0,0]=2 21107 B17R2.41893 Cc1cncc(c1)CNc2ccccc2F 207a_100000210422_100011998712 [0,2,0,0,0,0|0,0,0]=2 21108 B17R2.41893 Cc1cncc(c1)CNc2ccccc2F 34a_100000210422_100000716715 [0,2,0,0,0,0|0,0,0]=2 21109 B17R2.41893 Cc1cncc(c1)CNc2ccccc2I 207a_100000210053_100011998712 [0,2,0,0,0,0|0,0,0]=2 21110 B17R2.41893 Cc1cncc(c1)CNc2ccccc2I 34a_100000210053_100000716715 [0,2,0,0,0,0|0,0,0]=2 21111 B17R2.41893 Cc1cncc(c1)CNc2ccccc2O 34a_100000185747_100000716715 [0,2,0,0,0,0|0,0,0]=2 21112 B17R2.41893 Cc1cncc(c1)CNc2ccn[nH]c2=O 27a_100000692839_100000087129 [0,2,0,0,0,0|2,0,0]=4 21113 B17R2.41893 Cc1cncc(c1)CNc2ccncc2Br 27a_100000692839_100000726257 [0,2,0,0,0,0|1,0,0]=3 21114 B17R2.41893 Cc1cncc(c1)CNc2ccncc2C 27a_100000692839_100000765111 [0,2,0,0,0,0|1,0,0]=3 21115 B17R2.41893 Cc1cncc(c1)CNc2ccncc2F 27a_100000692839_100000035921 [0,2,0,0,0,0|1,0,0]=3 21116 B17R2.41893 Cc1cncc(c1)CNc2ncccc2Br 27a_100000692839_100000696092 [0,2,0,0,0,0|1,0,0]=3 21117 B17R2.41893 Cc1cncc(c1)CNc2nccnc2C 27a_100000692839_100011999405 [0,2,0,0,0,0|2,0,0]=4 21118 B17R2.41893 Cc1cncc(c1)CNc2nccnc2F 27a_100000692839_200010125657 [0,2,0,0,0,0|2,0,0]=4 21119 B17R2.41893 Cc1cncc(c1)CNc2ncncc2C 27a_100000692839_100011998708 [0,2,0,0,0,0|2,0,0]=4 21120 B17R2.41893 Cc1cncc(c1)CNc2ncncc2F 27a_100000692839_100000069762 [0,2,0,0,0,0|2,0,0]=4 21121 B17R2.41893 Cc1cncc(c1)CNc2ncncc2N 27a_100000692839_100000709731 [0,2,0,0,0,0|2,0,0]=4 21122 B17R2.41893 Cc1cncc(c1)CNc2nnccc2C 27a_100000692839_100000089043 [0,2,0,0,0,0|2,0,0]=4 21123 B17R2.41893 Cc1cncc(c1)COc2cccc[n+]2[O-] 7a_100000211761_100000716715 [0,2,0,0,0,0|2,0,0]=4 21124 B17R2.41893 Cc1cncc(c1)COc2ccccc2Br 34a_100000181306_100000716715 [0,2,0,0,0,0|1,0,0]=3 21125 B17R2.41893 Cc1cncc(c1)COc2ccccc2Br 7a_100000181306_100000716715 [0,2,0,0,0,0|1,0,0]=3 21126 B17R2.41893 Cc1cncc(c1)COc2ccccc2C 34a_100000210338_100000716715 [0,2,0,0,0,0|1,0,0]=3 21127 B17R2.41893 Cc1cncc(c1)COc2ccccc2C 7a_100000210338_100000716715 [0,2,0,0,0,0|1,0,0]=3 21128 B17R2.41893 Cc1cncc(c1)COc2ccccc2Cl 34a_100000210172_100000716715 [0,2,0,0,0,0|1,0,0]=3 21129 B17R2.41893 Cc1cncc(c1)COc2ccccc2Cl 7a_100000210172_100000716715 [0,2,0,0,0,0|1,0,0]=3 21130 B17R2.41893 Cc1cncc(c1)COc2ccccc2F 34a_100000210171_100000716715 [0,2,0,0,0,0|1,0,0]=3 21131 B17R2.41893 Cc1cncc(c1)COc2ccccc2F 7a_100000210171_100000716715 [0,2,0,0,0,0|1,0,0]=3 21132 B17R2.41893 Cc1cncc(c1)COc2ccccc2I 34a_100000739446_100000716715 [0,2,0,0,0,0|1,0,0]=3 21133 B17R2.41893 Cc1cncc(c1)COc2ccccc2I 7a_100000739446_100000716715 [0,2,0,0,0,0|1,0,0]=3 21134 B17R2.41893 Cc1cncc(c1)COc2ccccc2N 34a_100000185747_100000716715 [0,2,0,0,0,0|1,0,0]=3 21135 B17R2.41893 Cc1cncc(c1)COc2ccccc2N 7a_100000185747_100000716715 [0,2,0,0,0,0|1,0,0]=3 21136 B17R2.41893 Cc1cncc(c1)COc2cccnc2Br 34a_100000744436_100000716715 [0,2,0,0,0,0|2,0,0]=4 21137 B17R2.41893 Cc1cncc(c1)COc2cccnc2Br 7a_100000744436_100000716715 [0,2,0,0,0,0|2,0,0]=4 21138 B17R2.41893 Cc1cncc(c1)COc2cccnc2C 34a_100000745507_100000716715 [0,2,0,0,0,0|2,0,0]=4 21139 B17R2.41893 Cc1cncc(c1)COc2cccnc2C 7a_100000745507_100000716715 [0,2,0,0,0,0|2,0,0]=4 21140 B17R2.41893 Cc1cncc(c1)COc2cccnc2Cl 34a_100000757616_100000716715 [0,2,0,0,0,0|2,0,0]=4 21141 B17R2.41893 Cc1cncc(c1)COc2cccnc2Cl 7a_100000757616_100000716715 [0,2,0,0,0,0|2,0,0]=4 21142 B17R2.41893 Cc1cncc(c1)COc2cccnc2F 34a_100000061740_100000716715 [0,2,0,0,0,0|2,0,0]=4 21143 B17R2.41893 Cc1cncc(c1)COc2cccnc2F 7a_100000061740_100000716715 [0,2,0,0,0,0|2,0,0]=4 21144 B17R2.41893 Cc1cncc(c1)COc2cccnc2I 34a_100000034122_100000716715 [0,2,0,0,0,0|2,0,0]=4 21145 B17R2.41893 Cc1cncc(c1)COc2cccnc2I 7a_100000034122_100000716715 [0,2,0,0,0,0|2,0,0]=4 21146 B17R2.41893 Cc1cncc(c1)COc2cccnc2N 34a_100000211975_100000716715 [0,2,0,0,0,0|2,0,0]=4 21147 B17R2.41893 Cc1cncc(c1)COc2cccnc2N 7a_100000211975_100000716715 [0,2,0,0,0,0|2,0,0]=4 21148 B17R2.41893 Cc1cncc(c1)COc2cccoc2=O 34a_100000077404_100000716715 [0,2,0,0,0,0|2,0,0]=4 21149 B17R2.41893 Cc1cncc(c1)COc2cccoc2=O 7a_100000077404_100000716715 [0,2,0,0,0,0|2,0,0]=4 21150 B17R2.41893 Cc1cncc(c1)COc2ccncc2Br 34a_100011996408_100000716715 [0,2,0,0,0,0|2,0,0]=4 21151 B17R2.41893 Cc1cncc(c1)COc2ccncc2C 34a_100000694293_100000716715 [0,2,0,0,0,0|2,0,0]=4 21152 B17R2.41893 Cc1cncc(c1)COc2ccncc2Cl 34a_100011997054_100000716715 [0,2,0,0,0,0|2,0,0]=4 21153 B17R2.41893 Cc1cncc(c1)COc2ccncc2F 34a_200000081243_100000716715 [0,2,0,0,0,0|2,0,0]=4 21154 B17R2.41893 Cc1cncc(c1)COc2cnccc2C 34a_100011997053_100000716715 [0,2,0,0,0,0|2,0,0]=4 21155 B17R2.41893 Cc1cncc(c1)COc2cnccc2C 7a_100011997053_100000716715 [0,2,0,0,0,0|2,0,0]=4 21156 B17R2.41893 Cc1cncc(c1)COc2cnccc2Cl 34a_100011996695_100000716715 [0,2,0,0,0,0|2,0,0]=4 21157 B17R2.41893 Cc1cncc(c1)COc2cnccc2I 34a_100000050107_100000716715 [0,2,0,0,0,0|2,0,0]=4 21158 B17R2.41893 Cc1cncc(c1)COc2cnccc2N 34a_100000753702_100000716715 [0,2,0,0,0,0|2,0,0]=4 21159 B17R2.41893 Cc1cncc(c1)COc2coccc2=O 34a_100000060831_100000716715 [0,2,0,0,0,0|2,0,0]=4 21160 B17R2.41893 Cc1cncc(c1)COc2ncccc2Cl 34a_100011290957_100000716715 [0,2,0,0,0,0|2,0,0]=4 21161 B17R2.41893 Cc1cncc(c1)COc2ncccc2F 34a_100011219419_100000716715 [0,2,0,0,0,0|2,0,0]=4 21162 B17R2.41893 Cc1cncc(c1)COc2ncccc2N 34a_100000746358_100000716715 [0,2,0,0,0,0|2,0,0]=4 21163 B17R2.41893 Cc1cncc(c1)CSc2c[nH]ccc2=O 62a_100000716715_100009998708 [0,2,0,0,0,0|2,0,0]=4 21164 B17R2.41893 Cc1cncc(c1)CSc2c[nH]ccc2=O 62a_100009998708_100000716715 [0,2,0,0,0,0|2,0,0]=4 21165 B17R2.41893 Cc1cncc(c1)CSc2c[nH]ccc2=S 62a_100000716715_200012280681 [0,2,0,0,0,0|2,0,0]=4 21166 B17R2.41893 Cc1cncc(c1)CSc2c[nH]ccc2=S 62a_200012280681_100000716715 [0,2,0,0,0,0|2,0,0]=4 21167 B17R2.41893 Cc1cncc(c1)CSc2cccc[n+]2C 62a_100000716715_100000212160 [0,2,0,0,0,0|2,0,0]=4 21168 B17R2.41893 Cc1cncc(c1)CSc2cccc[n+]2[O-] 62a_100000716715_200000042595 [0,2,0,0,0,0|2,0,0]=4 21169 B17R2.41893 Cc1cncc(c1)CSc2ccccc2Br 62a_100000695589_100000716715 [0,2,0,0,0,0|1,0,0]=3 21170 B17R2.41893 Cc1cncc(c1)CSc2ccccc2Br 62a_100000716715_100000695589 [0,2,0,0,0,0|1,0,0]=3 21171 B17R2.41893 Cc1cncc(c1)CSc2ccccc2C 62a_100000210755_100000716715 [0,2,0,0,0,0|1,0,0]=3 21172 B17R2.41893 Cc1cncc(c1)CSc2ccccc2C 62a_100000716715_100000210755 [0,2,0,0,0,0|1,0,0]=3 21173 B17R2.41893 Cc1cncc(c1)CSc2ccccc2Cl 62a_100000716715_100000764095 [0,2,0,0,0,0|1,0,0]=3 21174 B17R2.41893 Cc1cncc(c1)CSc2ccccc2Cl 62a_100000764095_100000716715 [0,2,0,0,0,0|1,0,0]=3 21175 B17R2.41893 Cc1cncc(c1)CSc2ccccc2F 62a_100000716715_100011215700 [0,2,0,0,0,0|1,0,0]=3 21176 B17R2.41893 Cc1cncc(c1)CSc2ccccc2F 62a_100011215700_100000716715 [0,2,0,0,0,0|1,0,0]=3 21177 B17R2.41893 Cc1cncc(c1)CSc2ccccc2N 62a_100000210017_100000716715 [0,2,0,0,0,0|1,0,0]=3 21178 B17R2.41893 Cc1cncc(c1)CSc2ccccc2N 62a_100000716715_100000210017 [0,2,0,0,0,0|1,0,0]=3 21179 B17R2.41893 Cc1cncc(c1)CSc2ccccc2O 62a_100000716715_100000739446 [0,2,0,0,0,0|1,0,0]=3 21180 B17R2.41893 Cc1cncc(c1)CSc2ccccc2O 62a_100000739446_100000716715 [0,2,0,0,0,0|1,0,0]=3 21181 B17R2.41893 Cc1cncc(c1)CSc2cccnc2Br 62a_100000716715_100010202626 [0,2,0,0,0,0|2,0,0]=4 21182 B17R2.41893 Cc1cncc(c1)CSc2cccnc2Br 62a_100010202626_100000716715 [0,2,0,0,0,0|2,0,0]=4 21183 B17R2.41893 Cc1cncc(c1)CSc2cccnc2C 62a_100000716715_100000751574 [0,2,0,0,0,0|2,0,0]=4 21184 B17R2.41893 Cc1cncc(c1)CSc2cccnc2C 62a_100000751574_100000716715 [0,2,0,0,0,0|2,0,0]=4 21185 B17R2.41893 Cc1cncc(c1)CSc2cccnc2Cl 62a_100000036424_100000716715 [0,2,0,0,0,0|2,0,0]=4 21186 B17R2.41893 Cc1cncc(c1)CSc2cccnc2Cl 62a_100000716715_100000036424 [0,2,0,0,0,0|2,0,0]=4 21187 B17R2.41893 Cc1cncc(c1)CSc2cccnc2F 62a_100000716715_100009816115 [0,2,0,0,0,0|2,0,0]=4 21188 B17R2.41893 Cc1cncc(c1)CSc2cccnc2F 62a_100009816115_100000716715 [0,2,0,0,0,0|2,0,0]=4 21189 B17R2.41893 Cc1cncc(c1)CSc2cccnc2N 62a_100000045569_100000716715 [0,2,0,0,0,0|2,0,0]=4 21190 B17R2.41893 Cc1cncc(c1)CSc2cccnc2N 62a_100000716715_100000045569 [0,2,0,0,0,0|2,0,0]=4 21191 B17R2.41893 Cc1cncc(c1)CSc2cccnc2O 62a_100000716715_100000760158 [0,2,0,0,0,0|2,0,0]=4 21192 B17R2.41893 Cc1cncc(c1)CSc2cccnc2O 62a_100000760158_100000716715 [0,2,0,0,0,0|2,0,0]=4 21193 B17R2.41893 Cc1cncc(c1)CSc2ccncc2Br 62a_100000716715_100000726257 [0,2,0,0,0,0|2,0,0]=4 21194 B17R2.41893 Cc1cncc(c1)CSc2ccncc2Br 62a_100000726257_100000716715 [0,2,0,0,0,0|2,0,0]=4 21195 B17R2.41893 Cc1cncc(c1)CSc2ccncc2C 62a_100000716715_100000765111 [0,2,0,0,0,0|2,0,0]=4 21196 B17R2.41893 Cc1cncc(c1)CSc2ccncc2C 62a_100000765111_100000716715 [0,2,0,0,0,0|2,0,0]=4 21197 B17R2.41893 Cc1cncc(c1)CSc2ccncc2Cl 62a_100000708259_100000716715 [0,2,0,0,0,0|2,0,0]=4 21198 B17R2.41893 Cc1cncc(c1)CSc2ccncc2Cl 62a_100000716715_100000708259 [0,2,0,0,0,0|2,0,0]=4 21199 B17R2.41893 Cc1cncc(c1)CSc2ccncc2F 62a_100000047030_100000716715 [0,2,0,0,0,0|2,0,0]=4 21200 B17R2.41893 Cc1cncc(c1)CSc2ccncc2F 62a_100000716715_100000047030 [0,2,0,0,0,0|2,0,0]=4 21201 B17R2.41893 Cc1cncc(c1)CSc2ccncc2N 62a_100000716715_100000756074 [0,2,0,0,0,0|2,0,0]=4 21202 B17R2.41893 Cc1cncc(c1)CSc2ccncc2N 62a_100000756074_100000716715 [0,2,0,0,0,0|2,0,0]=4 21203 B17R2.41893 Cc1cncc(c1)CSc2ccncc2O 62a_100000716715_100009817591 [0,2,0,0,0,0|2,0,0]=4 21204 B17R2.41893 Cc1cncc(c1)CSc2ccncc2O 62a_100009817591_100000716715 [0,2,0,0,0,0|2,0,0]=4 21205 B17R2.41893 Cc1cncc(c1)CSc2cnccc2Br 62a_100000716715_100010138639 [0,2,0,0,0,0|2,0,0]=4 21206 B17R2.41893 Cc1cncc(c1)CSc2cnccc2Br 62a_100010138639_100000716715 [0,2,0,0,0,0|2,0,0]=4 21207 B17R2.41893 Cc1cncc(c1)CSc2cnccc2C 62a_100000716715_100000761580 [0,2,0,0,0,0|2,0,0]=4 21208 B17R2.41893 Cc1cncc(c1)CSc2cnccc2C 62a_100000761580_100000716715 [0,2,0,0,0,0|2,0,0]=4 21209 B17R2.41893 Cc1cncc(c1)CSc2cnccc2Cl 62a_100000716715_100009995489 [0,2,0,0,0,0|2,0,0]=4 21210 B17R2.41893 Cc1cncc(c1)CSc2cnccc2Cl 62a_100009995489_100000716715 [0,2,0,0,0,0|2,0,0]=4 21211 B17R2.41893 Cc1cncc(c1)CSc2cnccc2F 62a_100000716715_100009820683 [0,2,0,0,0,0|2,0,0]=4 21212 B17R2.41893 Cc1cncc(c1)CSc2cnccc2F 62a_100009820683_100000716715 [0,2,0,0,0,0|2,0,0]=4 21213 B17R2.41893 Cc1cncc(c1)CSc2cnccc2N 62a_100000047001_100000716715 [0,2,0,0,0,0|2,0,0]=4 21214 B17R2.41893 Cc1cncc(c1)CSc2cnccc2N 62a_100000716715_100000047001 [0,2,0,0,0,0|2,0,0]=4 21215 B17R2.41893 Cc1cncc(c1)CSc2ncccc2Br 62a_100000696092_100000716715 [0,2,0,0,0,0|2,0,0]=4 21216 B17R2.41893 Cc1cncc(c1)CSc2ncccc2Br 62a_100000716715_100000696092 [0,2,0,0,0,0|2,0,0]=4 21217 B17R2.41893 Cc1cncc(c1)CSc2ncccc2C 62a_100000716715_100000751373 [0,2,0,0,0,0|2,0,0]=4 21218 B17R2.41893 Cc1cncc(c1)CSc2ncccc2C 62a_100000751373_100000716715 [0,2,0,0,0,0|2,0,0]=4 21219 B17R2.41893 Cc1cncc(c1)CSc2ncccc2Cl 62a_100000716715_100011356963 [0,2,0,0,0,0|2,0,0]=4 21220 B17R2.41893 Cc1cncc(c1)CSc2ncccc2Cl 62a_100011356963_100000716715 [0,2,0,0,0,0|2,0,0]=4 21221 B17R2.41893 Cc1cncc(c1)CSc2ncccc2F 62a_100000685392_100000716715 [0,2,0,0,0,0|2,0,0]=4 21222 B17R2.41893 Cc1cncc(c1)CSc2ncccc2F 62a_100000716715_100000685392 [0,2,0,0,0,0|2,0,0]=4 21223 B17R2.41893 Cc1cncc(c1)CSc2ncccc2N 62a_100000688686_100000716715 [0,2,0,0,0,0|2,0,0]=4 21224 B17R2.41893 Cc1cncc(c1)CSc2ncccc2N 62a_100000716715_100000688686 [0,2,0,0,0,0|2,0,0]=4 21225 B17R2.41893 Cc1cncc(c1)CSc2ncccc2O 62a_100000034122_100000716715 [0,2,0,0,0,0|2,0,0]=4 21226 B17R2.41893 Cc1cncc(c1)CSc2ncccc2O 62a_100000716715_100000034122 [0,2,0,0,0,0|2,0,0]=4 21227 B17R2.41893 Cc1cncc(c1)OCc2ccccc2Br 34a_100011830280_100000184730 [0,2,0,0,0,0|2,0,0]=4 21228 B17R2.41893 Cc1cncc(c1)OCc2ccccc2Br 7a_100011830280_100000184730 [0,2,0,0,0,0|2,0,0]=4 21229 B17R2.41893 Cc1cncc(c1)OCc2ccccc2C 34a_100011830280_100000211839 [0,2,0,0,0,0|2,0,0]=4 21230 B17R2.41893 Cc1cncc(c1)OCc2ccccc2C 7a_100011830280_100000211839 [0,2,0,0,0,0|2,0,0]=4 21231 B17R2.41893 Cc1cncc(c1)OCc2ccccc2Cl 34a_100011830280_100000187162 [0,2,0,0,0,0|2,0,0]=4 21232 B17R2.41893 Cc1cncc(c1)OCc2ccccc2Cl 7a_100011830280_100000187162 [0,2,0,0,0,0|2,0,0]=4 21233 B17R2.41893 Cc1cncc(c1)OCc2ccccc2F 34a_100011830280_100000211605 [0,2,0,0,0,0|2,0,0]=4 21234 B17R2.41893 Cc1cncc(c1)OCc2ccccc2F 7a_100011830280_100000211605 [0,2,0,0,0,0|2,0,0]=4 21235 B17R2.41893 Cc1cncc(c1)OCc2ccccc2I 34a_100011830280_100011215278 [0,2,0,0,0,0|2,0,0]=4 21236 B17R2.41893 Cc1cncc(c1)OCc2ccccc2I 7a_100011830280_100011215278 [0,2,0,0,0,0|2,0,0]=4 21237 B17R2.41893 Cc1cncc(c1)OCc2cccnc2Br 34a_100011830280_100010140945 [0,2,0,0,0,0|2,0,0]=4 21238 B17R2.41893 Cc1cncc(c1)OCc2cccnc2Br 7a_100011830280_100010140945 [0,2,0,0,0,0|2,0,0]=4 21239 B17R2.41893 Cc1cncc(c1)OCc2cccnc2C 34a_100011830280_100000732876 [0,2,0,0,0,0|2,0,0]=4 21240 B17R2.41893 Cc1cncc(c1)OCc2cccnc2C 7a_100011830280_100000732876 [0,2,0,0,0,0|2,0,0]=4 21241 B17R2.41893 Cc1cncc(c1)OCc2cccnc2Cl 34a_100011830280_100000045678 [0,2,0,0,0,0|2,0,0]=4 21242 B17R2.41893 Cc1cncc(c1)OCc2cccnc2Cl 7a_100011830280_100000045678 [0,2,0,0,0,0|2,0,0]=4 21243 B17R2.41893 Cc1cncc(c1)OCc2cccnc2F 34a_100011830280_100000099810 [0,2,0,0,0,0|2,0,0]=4 21244 B17R2.41893 Cc1cncc(c1)OCc2cccnc2F 7a_100011830280_100000099810 [0,2,0,0,0,0|2,0,0]=4 21245 B17R2.41893 Cc1cncc(c1)OCc2cnccc2C 34a_100011830280_100000690890 [0,2,0,0,0,0|2,0,0]=4 21246 B17R2.41893 Cc1cncc(c1)OCc2cnccc2C 7a_100011830280_100000690890 [0,2,0,0,0,0|2,0,0]=4 21247 B17R2.41893 Cc1cncc(c1)SCc2ccccc2Br 62a_100000184730_100000760492 [0,2,0,0,0,0|2,0,0]=4 21248 B17R2.41893 Cc1cncc(c1)SCc2ccccc2Br 62a_100000760492_100000184730 [0,2,0,0,0,0|2,0,0]=4 21249 B17R2.41893 Cc1cncc(c1)SCc2ccccc2C 62a_100000211839_100000760492 [0,2,0,0,0,0|2,0,0]=4 21250 B17R2.41893 Cc1cncc(c1)SCc2ccccc2C 62a_100000760492_100000211839 [0,2,0,0,0,0|2,0,0]=4 21251 B17R2.41893 Cc1cncc(c1)SCc2ccccc2Cl 62a_100000187162_100000760492 [0,2,0,0,0,0|2,0,0]=4 21252 B17R2.41893 Cc1cncc(c1)SCc2ccccc2Cl 62a_100000760492_100000187162 [0,2,0,0,0,0|2,0,0]=4 21253 B17R2.41893 Cc1cncc(c1)SCc2ccccc2F 62a_100000211605_100000760492 [0,2,0,0,0,0|2,0,0]=4 21254 B17R2.41893 Cc1cncc(c1)SCc2ccccc2F 62a_100000760492_100000211605 [0,2,0,0,0,0|2,0,0]=4 21255 B17R2.41893 Cc1cncc(c1)SCc2ccccc2I 62a_100000760492_100011216222 [0,2,0,0,0,0|2,0,0]=4 21256 B17R2.41893 Cc1cncc(c1)SCc2ccccc2I 62a_100011216222_100000760492 [0,2,0,0,0,0|2,0,0]=4 21257 B17R2.41893 Cc1cncc(c1)SCc2cccnc2Br 62a_100000760492_100010140945 [0,2,0,0,0,0|2,0,0]=4 21258 B17R2.41893 Cc1cncc(c1)SCc2cccnc2Br 62a_100010140945_100000760492 [0,2,0,0,0,0|2,0,0]=4 21259 B17R2.41893 Cc1cncc(c1)SCc2cccnc2C 62a_100000732876_100000760492 [0,2,0,0,0,0|2,0,0]=4 21260 B17R2.41893 Cc1cncc(c1)SCc2cccnc2C 62a_100000760492_100000732876 [0,2,0,0,0,0|2,0,0]=4 21261 B17R2.41893 Cc1cncc(c1)SCc2cccnc2Cl 62a_100000045678_100000760492 [0,2,0,0,0,0|2,0,0]=4 21262 B17R2.41893 Cc1cncc(c1)SCc2cccnc2Cl 62a_100000760492_100000045678 [0,2,0,0,0,0|2,0,0]=4 21263 B17R2.41893 Cc1cncc(c1)SCc2cccnc2F 62a_100000099810_100000760492 [0,2,0,0,0,0|2,0,0]=4 21264 B17R2.41893 Cc1cncc(c1)SCc2cccnc2F 62a_100000760492_100000099810 [0,2,0,0,0,0|2,0,0]=4 21265 B17R2.41893 Cc1cncc(c1)SCc2cnccc2C 62a_100000690890_100000760492 [0,2,0,0,0,0|2,0,0]=4 21266 B17R2.41893 Cc1cncc(c1)SCc2cnccc2C 62a_100000760492_100000690890 [0,2,0,0,0,0|2,0,0]=4 21267 B17R2.41893 Cc1cncc(n1)CNc2ccccc2Br 207a_100000210017_100000100294 [0,2,0,0,0,0|1,0,0]=3 21268 B17R2.41893 Cc1cncc(n1)CNc2ccccc2C 207a_100015192222_100000100294 [0,2,0,0,0,0|1,0,0]=3 21269 B17R2.41893 Cc1cncc(n1)CNc2ccccc2Cl 207a_100000185783_100000100294 [0,2,0,0,0,0|1,0,0]=3 21270 B17R2.41893 Cc1cncc(n1)CNc2ccccc2F 207a_100000210422_100000100294 [0,2,0,0,0,0|1,0,0]=3 21271 B17R2.41893 Cc1cncc(n1)CNc2ccccc2I 207a_100000210053_100000100294 [0,2,0,0,0,0|1,0,0]=3 21272 B17R2.41893 Cc1cncc(n1)NCc2cccnc2Br 27a_100009818023_100000754123 [0,2,0,0,0,0|2,0,0]=4 21273 B17R2.41893 Cc1cncc(n1)NCc2cccnc2Cl 27a_100015189234_100000754123 [0,2,0,0,0,0|2,0,0]=4 21274 B17R2.41893 Cc1cncc(n1)NCc2cccnc2F 27a_100000724633_100000754123 [0,2,0,0,0,0|2,0,0]=4 21275 B17R2.41893 Cc1cncc(n1)NCc2cnccc2C 27a_100011997553_100000754123 [0,2,0,0,0,0|2,0,0]=4 21276 B17R2.41893 Cc1cnccc1CNc2cccc(c2)Br 34a_100000210019_100020672809 [0,2,0,0,0,0|2,0,0]=4 21277 B17R2.41893 Cc1cnccc1CNc2cccc(c2)Cl 34a_100000185859_100020672809 [0,2,0,0,0,0|2,0,0]=4 21278 B17R2.41893 Cc1cnccc1CNc2cccc(c2)F 34a_100000210047_100020672809 [0,2,0,0,0,0|2,0,0]=4 21279 B17R2.41893 Cc1cnccc1CNc2cccc(c2)I 34a_100000211102_100020672809 [0,2,0,0,0,0|2,0,0]=4 21280 B17R2.41893 Cc1cnccc1CNc2cccc(c2)O 34a_100000210217_100020672809 [0,2,0,0,0,0|2,0,0]=4 21281 B17R2.41893 Cc1cnccc1NCc2cccc(c2)Br 27a_100000174977_100000765111 [0,2,0,0,0,0|2,0,0]=4 21282 B17R2.41893 Cc1cnccc1NCc2cccc(c2)Cl 27a_100000174878_100000765111 [0,2,0,0,0,0|2,0,0]=4 21283 B17R2.41893 Cc1cnccc1NCc2cccc(c2)F 27a_100000174948_100000765111 [0,2,0,0,0,0|2,0,0]=4 21284 B17R2.41893 Cc1cnccc1NCc2cccc(c2)I 27a_100000106179_100000765111 [0,2,0,0,0,0|2,0,0]=4 21285 B17R2.41893 Cc1cnccc1NCc2cccc(c2)O 27a_100000743036_100000765111 [0,2,0,0,0,0|2,0,0]=4 21286 B17R2.41893 Cc1cnccc1NCc2cncc(c2)Br 27a_100011249555_100000765111 [0,2,0,0,0,0|1,0,0]=3 21287 B17R2.41893 Cc1cnccc1NCc2cncc(c2)Cl 27a_200020614424_100000765111 [0,2,0,0,0,0|1,0,0]=3 21288 B17R2.41893 Cc1cnccc1NCc2cncc(c2)F 27a_100011962886_100000765111 [0,2,0,0,0,0|1,0,0]=3 21289 B17R2.41893 Cc1cnccc1OCc2cncc(c2)Br 34a_100000694293_100000738771 [0,2,0,0,0,0|2,0,0]=4 21290 B17R2.41893 Cc1cnccc1OCc2cncc(c2)Cl 34a_100000694293_100016992070 [0,2,0,0,0,0|2,0,0]=4 21291 B17R2.41893 Cc1cnccc1OCc2cncc(c2)F 34a_100000694293_100000725299 [0,2,0,0,0,0|2,0,0]=4 21292 B17R2.41893 Cc1cnccc1SCc2cncc(c2)Br 62a_100000738771_100000765111 [0,2,0,0,0,0|2,0,0]=4 21293 B17R2.41893 Cc1cnccc1SCc2cncc(c2)Br 62a_100000765111_100000738771 [0,2,0,0,0,0|2,0,0]=4 21294 B17R2.41893 Cc1cnccc1SCc2cncc(c2)Cl 62a_100000765111_100016992070 [0,2,0,0,0,0|2,0,0]=4 21295 B17R2.41893 Cc1cnccc1SCc2cncc(c2)Cl 62a_100016992070_100000765111 [0,2,0,0,0,0|2,0,0]=4 21296 B17R2.41893 Cc1cnccc1SCc2cncc(c2)F 62a_100000725299_100000765111 [0,2,0,0,0,0|2,0,0]=4 21297 B17R2.41893 Cc1cnccc1SCc2cncc(c2)F 62a_100000765111_100000725299 [0,2,0,0,0,0|2,0,0]=4 21298 B17R2.41893 Cc1cncnc1NCc2cncc(c2)Br 27a_100011249555_100011998708 [0,2,0,0,0,0|2,0,0]=4 21299 B17R2.41893 Cc1cncnc1NCc2cncc(c2)Cl 27a_200020614424_100011998708 [0,2,0,0,0,0|2,0,0]=4 21300 B17R2.41893 Cc1cncnc1NCc2cncc(c2)F 27a_100011962886_100011998708 [0,2,0,0,0,0|2,0,0]=4 21301 B17R2.41893 Cc1cnnc(c1)NCc2cccnc2Br 27a_100009818023_100000070100 [0,2,0,0,0,0|2,0,0]=4 21302 B17R2.41893 Cc1cnnc(c1)NCc2cccnc2Cl 27a_100015189234_100000070100 [0,2,0,0,0,0|2,0,0]=4 21303 B17R2.41893 Cc1cnnc(c1)NCc2cccnc2F 27a_100000724633_100000070100 [0,2,0,0,0,0|2,0,0]=4 21304 B17R2.41893 Cc1cnnc(c1)NCc2cnccc2C 27a_100011997553_100000070100 [0,2,0,0,0,0|2,0,0]=4 21305 B17R2.41893 Cc1nccc(n1)NCc2cccnc2Br 27a_100009818023_100000749937 [0,2,0,0,0,0|2,0,0]=4 21306 B17R2.41893 Cc1nccc(n1)NCc2cccnc2Cl 27a_100015189234_100000749937 [0,2,0,0,0,0|2,0,0]=4 21307 B17R2.41893 Cc1nccc(n1)NCc2cccnc2F 27a_100000724633_100000749937 [0,2,0,0,0,0|2,0,0]=4 21308 B17R2.41893 Cc1nccc(n1)NCc2cnccc2C 27a_100011997553_100000749937 [0,2,0,0,0,0|2,0,0]=4 21309 B17R2.41893 Cc1ncccc1C=Cc2cccc(c2)Cl 271570a_100102525933_100000751574 [0,2,0,0,0,0|1,0,1]=4 21310 B17R2.41893 Cc1ncccc1C=Cc2cccc(c2)F 271570a_100102525537_100000751574 [0,2,0,0,0,0|1,0,1]=4 21311 B17R2.41893 Cc1ncccc1CNc2cccc(c2)Br 207a_100000210019_100000751968 [0,2,0,0,0,0|0,0,0]=2 21312 B17R2.41893 Cc1ncccc1CNc2cccc(c2)Br 34a_100000210019_100000732876 [0,2,0,0,0,0|0,0,0]=2 21313 B17R2.41893 Cc1ncccc1CNc2cccc(c2)Cl 207a_100000185859_100000751968 [0,2,0,0,0,0|0,0,0]=2 21314 B17R2.41893 Cc1ncccc1CNc2cccc(c2)Cl 34a_100000185859_100000732876 [0,2,0,0,0,0|0,0,0]=2 21315 B17R2.41893 Cc1ncccc1CNc2cccc(c2)F 207a_100000210047_100000751968 [0,2,0,0,0,0|0,0,0]=2 21316 B17R2.41893 Cc1ncccc1CNc2cccc(c2)F 34a_100000210047_100000732876 [0,2,0,0,0,0|0,0,0]=2 21317 B17R2.41893 Cc1ncccc1CNc2cccc(c2)I 207a_100000211102_100000751968 [0,2,0,0,0,0|0,0,0]=2 21318 B17R2.41893 Cc1ncccc1CNc2cccc(c2)I 34a_100000211102_100000732876 [0,2,0,0,0,0|0,0,0]=2 21319 B17R2.41893 Cc1ncccc1CNc2cccc(c2)O 34a_100000210217_100000732876 [0,2,0,0,0,0|0,0,0]=2 21320 B17R2.41893 Cc1ncccc1COc2cc[nH]c(=O)c2 34a_100000032262_100000732876 [0,2,0,0,0,0|2,0,0]=4 21321 B17R2.41893 Cc1ncccc1COc2ccc[n+](c2)[O-] 34a_100000039713_100000732876 [0,2,0,0,0,0|2,0,0]=4 21322 B17R2.41893 Cc1ncccc1COc2ccc[n+](c2)[O-] 7a_100000039713_100000732876 [0,2,0,0,0,0|2,0,0]=4 21323 B17R2.41893 Cc1ncccc1COc2cccc(=O)[nH]2 34a_100000033347_100000732876 [0,2,0,0,0,0|2,0,0]=4 21324 B17R2.41893 Cc1ncccc1COc2cccc(c2)Br 34a_100000210342_100000732876 [0,2,0,0,0,0|1,0,0]=3 21325 B17R2.41893 Cc1ncccc1COc2cccc(c2)Br 7a_100000210342_100000732876 [0,2,0,0,0,0|1,0,0]=3 21326 B17R2.41893 Cc1ncccc1COc2cccc(c2)Cl 34a_100000210295_100000732876 [0,2,0,0,0,0|1,0,0]=3 21327 B17R2.41893 Cc1ncccc1COc2cccc(c2)Cl 7a_100000210295_100000732876 [0,2,0,0,0,0|1,0,0]=3 21328 B17R2.41893 Cc1ncccc1COc2cccc(c2)F 34a_100000210426_100000732876 [0,2,0,0,0,0|1,0,0]=3 21329 B17R2.41893 Cc1ncccc1COc2cccc(c2)F 7a_100000210426_100000732876 [0,2,0,0,0,0|1,0,0]=3 21330 B17R2.41893 Cc1ncccc1COc2cccc(c2)I 34a_100000211634_100000732876 [0,2,0,0,0,0|1,0,0]=3 21331 B17R2.41893 Cc1ncccc1COc2cccc(c2)I 7a_100000211634_100000732876 [0,2,0,0,0,0|1,0,0]=3 21332 B17R2.41893 Cc1ncccc1COc2cccc(c2)N 34a_100000210217_100000732876 [0,2,0,0,0,0|1,0,0]=3 21333 B17R2.41893 Cc1ncccc1COc2cccc(n2)F 34a_100011432558_100000732876 [0,2,0,0,0,0|2,0,0]=4 21334 B17R2.41893 Cc1ncccc1COc2ccnc(c2)Cl 34a_100000762945_100000732876 [0,2,0,0,0,0|2,0,0]=4 21335 B17R2.41893 Cc1ncccc1COc2ccnc(c2)F 34a_100000732698_100000732876 [0,2,0,0,0,0|2,0,0]=4 21336 B17R2.41893 Cc1ncccc1COc2ccnc(c2)N 34a_100011834064_100000732876 [0,2,0,0,0,0|2,0,0]=4 21337 B17R2.41893 Cc1ncccc1COc2cncc(c2)Br 34a_100000754920_100000732876 [0,2,0,0,0,0|2,0,0]=4 21338 B17R2.41893 Cc1ncccc1COc2cncc(c2)Br 7a_100000754920_100000732876 [0,2,0,0,0,0|2,0,0]=4 21339 B17R2.41893 Cc1ncccc1COc2cncc(c2)Cl 7a_100000032511_100000732876 [0,2,0,0,0,0|2,0,0]=4 21340 B17R2.41893 Cc1ncccc1COc2cncc(c2)F 34a_100011830296_100000732876 [0,2,0,0,0,0|2,0,0]=4 21341 B17R2.41893 Cc1ncccc1COc2cncc(c2)F 7a_100011830296_100000732876 [0,2,0,0,0,0|2,0,0]=4 21342 B17R2.41893 Cc1ncccc1COc2cncc(c2)N 34a_100011997051_100000732876 [0,2,0,0,0,0|2,0,0]=4 21343 B17R2.41893 Cc1ncccc1CSc2cc(=O)cc[nH]2 62a_100009817434_100000732876 [0,2,0,0,0,0|2,0,0]=4 21344 B17R2.41893 Cc1ncccc1CSc2cc(ccn2)Cl 62a_100000732876_100010167805 [0,2,0,0,0,0|2,0,0]=4 21345 B17R2.41893 Cc1ncccc1CSc2cc(ccn2)Cl 62a_100010167805_100000732876 [0,2,0,0,0,0|2,0,0]=4 21346 B17R2.41893 Cc1ncccc1CSc2cc(ccn2)F 62a_100000732876_100000764206 [0,2,0,0,0,0|2,0,0]=4 21347 B17R2.41893 Cc1ncccc1CSc2cc(ccn2)F 62a_100000764206_100000732876 [0,2,0,0,0,0|2,0,0]=4 21348 B17R2.41893 Cc1ncccc1CSc2cc(ccn2)N 62a_100000732876_100009814236 [0,2,0,0,0,0|2,0,0]=4 21349 B17R2.41893 Cc1ncccc1CSc2cc(ccn2)N 62a_100009814236_100000732876 [0,2,0,0,0,0|2,0,0]=4 21350 B17R2.41893 Cc1ncccc1CSc2cc(ccn2)O 62a_100000732876_100000762945 [0,2,0,0,0,0|2,0,0]=4 21351 B17R2.41893 Cc1ncccc1CSc2cc[nH]c(=O)c2 62a_100000732876_100009816521 [0,2,0,0,0,0|2,0,0]=4 21352 B17R2.41893 Cc1ncccc1CSc2cc[nH]c(=O)c2 62a_100009816521_100000732876 [0,2,0,0,0,0|2,0,0]=4 21353 B17R2.41893 Cc1ncccc1CSc2ccc[n+](c2)C 62a_100000732876_100009996589 [0,2,0,0,0,0|2,0,0]=4 21354 B17R2.41893 Cc1ncccc1CSc2ccc[n+](c2)C 62a_100009996589_100000732876 [0,2,0,0,0,0|2,0,0]=4 21355 B17R2.41893 Cc1ncccc1CSc2ccc[n+](c2)[O-] 62a_100000732876_100009815978 [0,2,0,0,0,0|2,0,0]=4 21356 B17R2.41893 Cc1ncccc1CSc2cccc(=O)[nH]2 62a_100000732876_100000752884 [0,2,0,0,0,0|2,0,0]=4 21357 B17R2.41893 Cc1ncccc1CSc2cccc(c2)Br 62a_100000691529_100000732876 [0,2,0,0,0,0|1,0,0]=3 21358 B17R2.41893 Cc1ncccc1CSc2cccc(c2)Br 62a_100000732876_100000691529 [0,2,0,0,0,0|1,0,0]=3 21359 B17R2.41893 Cc1ncccc1CSc2cccc(c2)Cl 62a_100000699651_100000732876 [0,2,0,0,0,0|1,0,0]=3 21360 B17R2.41893 Cc1ncccc1CSc2cccc(c2)Cl 62a_100000732876_100000699651 [0,2,0,0,0,0|1,0,0]=3 21361 B17R2.41893 Cc1ncccc1CSc2cccc(c2)F 62a_100000685547_100000732876 [0,2,0,0,0,0|1,0,0]=3 21362 B17R2.41893 Cc1ncccc1CSc2cccc(c2)F 62a_100000732876_100000685547 [0,2,0,0,0,0|1,0,0]=3 21363 B17R2.41893 Cc1ncccc1CSc2cccc(c2)N 62a_100000210019_100000732876 [0,2,0,0,0,0|1,0,0]=3 21364 B17R2.41893 Cc1ncccc1CSc2cccc(c2)N 62a_100000732876_100000210019 [0,2,0,0,0,0|1,0,0]=3 21365 B17R2.41893 Cc1ncccc1CSc2cccc(c2)O 62a_100000732876_100000211634 [0,2,0,0,0,0|1,0,0]=3 21366 B17R2.41893 Cc1ncccc1CSc2cccc(c2)[S] 62a_100000732876_114929384022 [0,2,0,0,0,0|1,0,0]=3 21367 B17R2.41893 Cc1ncccc1CSc2cccc(c2)[S] 62a_114929384022_100000732876 [0,2,0,0,0,0|1,0,0]=3 21368 B17R2.41893 Cc1ncccc1CSc2cccc(n2)Br 62a_100000684672_100000732876 [0,2,0,0,0,0|2,0,0]=4 21369 B17R2.41893 Cc1ncccc1CSc2cccc(n2)Br 62a_100000732876_100000684672 [0,2,0,0,0,0|2,0,0]=4 21370 B17R2.41893 Cc1ncccc1CSc2cccc(n2)Cl 62a_100000051397_100000732876 [0,2,0,0,0,0|2,0,0]=4 21371 B17R2.41893 Cc1ncccc1CSc2cccc(n2)Cl 62a_100000732876_100000051397 [0,2,0,0,0,0|2,0,0]=4 21372 B17R2.41893 Cc1ncccc1CSc2cccc(n2)F 62a_100000732876_100009815982 [0,2,0,0,0,0|2,0,0]=4 21373 B17R2.41893 Cc1ncccc1CSc2cccc(n2)F 62a_100009815982_100000732876 [0,2,0,0,0,0|2,0,0]=4 21374 B17R2.41893 Cc1ncccc1CSc2cccc(n2)N 62a_100000732876_100000740741 [0,2,0,0,0,0|2,0,0]=4 21375 B17R2.41893 Cc1ncccc1CSc2cccc(n2)N 62a_100000740741_100000732876 [0,2,0,0,0,0|2,0,0]=4 21376 B17R2.41893 Cc1ncccc1CSc2ccnc(c2)Br 62a_100000732876_100009814637 [0,2,0,0,0,0|2,0,0]=4 21377 B17R2.41893 Cc1ncccc1CSc2ccnc(c2)Br 62a_100009814637_100000732876 [0,2,0,0,0,0|2,0,0]=4 21378 B17R2.41893 Cc1ncccc1CSc2ccnc(c2)Cl 62a_100000035001_100000732876 [0,2,0,0,0,0|2,0,0]=4 21379 B17R2.41893 Cc1ncccc1CSc2ccnc(c2)Cl 62a_100000732876_100000035001 [0,2,0,0,0,0|2,0,0]=4 21380 B17R2.41893 Cc1ncccc1CSc2ccnc(c2)F 62a_100000732876_100009816116 [0,2,0,0,0,0|2,0,0]=4 21381 B17R2.41893 Cc1ncccc1CSc2ccnc(c2)F 62a_100009816116_100000732876 [0,2,0,0,0,0|2,0,0]=4 21382 B17R2.41893 Cc1ncccc1CSc2ccnc(c2)N 62a_100000049665_100000732876 [0,2,0,0,0,0|2,0,0]=4 21383 B17R2.41893 Cc1ncccc1CSc2ccnc(c2)N 62a_100000732876_100000049665 [0,2,0,0,0,0|2,0,0]=4 21384 B17R2.41893 Cc1ncccc1CSc2cncc(c2)Br 62a_100000728054_100000732876 [0,2,0,0,0,0|2,0,0]=4 21385 B17R2.41893 Cc1ncccc1CSc2cncc(c2)Br 62a_100000732876_100000728054 [0,2,0,0,0,0|2,0,0]=4 21386 B17R2.41893 Cc1ncccc1CSc2cncc(c2)Cl 62a_100000049639_100000732876 [0,2,0,0,0,0|2,0,0]=4 21387 B17R2.41893 Cc1ncccc1CSc2cncc(c2)Cl 62a_100000732876_100000049639 [0,2,0,0,0,0|2,0,0]=4 21388 B17R2.41893 Cc1ncccc1CSc2cncc(c2)F 62a_100000732876_100000744099 [0,2,0,0,0,0|2,0,0]=4 21389 B17R2.41893 Cc1ncccc1CSc2cncc(c2)F 62a_100000744099_100000732876 [0,2,0,0,0,0|2,0,0]=4 21390 B17R2.41893 Cc1ncccc1CSc2cncc(c2)N 62a_100000687067_100000732876 [0,2,0,0,0,0|2,0,0]=4 21391 B17R2.41893 Cc1ncccc1CSc2cncc(c2)N 62a_100000732876_100000687067 [0,2,0,0,0,0|2,0,0]=4 21392 B17R2.41893 Cc1ncccc1CSc2cncc(c2)O 62a_100000732876_100000754920 [0,2,0,0,0,0|2,0,0]=4 21393 B17R2.41893 Cc1ncccc1CSc2cncc(c2)O 62a_100000754920_100000732876 [0,2,0,0,0,0|2,0,0]=4 21394 B17R2.41893 Cc1ncccc1OCc2cccc(c2)Br 34a_100000745507_100000698116 [0,2,0,0,0,0|2,0,0]=4 21395 B17R2.41893 Cc1ncccc1OCc2cccc(c2)Br 7a_100000745507_100000211773 [0,2,0,0,0,0|2,0,0]=4 21396 B17R2.41893 Cc1ncccc1OCc2cccc(c2)Cl 34a_100000745507_100000187163 [0,2,0,0,0,0|2,0,0]=4 21397 B17R2.41893 Cc1ncccc1OCc2cccc(c2)Cl 7a_100000745507_100000187163 [0,2,0,0,0,0|2,0,0]=4 21398 B17R2.41893 Cc1ncccc1OCc2cccc(c2)F 34a_100000745507_100000187166 [0,2,0,0,0,0|2,0,0]=4 21399 B17R2.41893 Cc1ncccc1OCc2cccc(c2)F 7a_100000745507_100000230114 [0,2,0,0,0,0|2,0,0]=4 21400 B17R2.41893 Cc1ncccc1OCc2cccc(c2)I 34a_100000745507_100011218688 [0,2,0,0,0,0|2,0,0]=4 21401 B17R2.41893 Cc1ncccc1OCc2cccc(c2)I 7a_100000745507_100011218688 [0,2,0,0,0,0|2,0,0]=4 21402 B17R2.41893 Cc1ncccc1OCc2cccc(c2)O 34a_100000745507_100011660834 [0,2,0,0,0,0|2,0,0]=4 21403 B17R2.41893 Cc1ncccc1OCc2cccc(c2)O 7a_100000745507_100000084143 [0,2,0,0,0,0|2,0,0]=4 21404 B17R2.41893 Cc1ncccc1OCc2cncc(c2)Br 34a_100000745507_100000738771 [0,2,0,0,0,0|2,0,0]=4 21405 B17R2.41893 Cc1ncccc1OCc2cncc(c2)Br 7a_100000745507_100000738771 [0,2,0,0,0,0|2,0,0]=4 21406 B17R2.41893 Cc1ncccc1OCc2cncc(c2)Cl 34a_100000745507_100016992070 [0,2,0,0,0,0|2,0,0]=4 21407 B17R2.41893 Cc1ncccc1OCc2cncc(c2)Cl 7a_100000745507_100016992070 [0,2,0,0,0,0|2,0,0]=4 21408 B17R2.41893 Cc1ncccc1OCc2cncc(c2)F 34a_100000745507_100000725299 [0,2,0,0,0,0|2,0,0]=4 21409 B17R2.41893 Cc1ncccc1OCc2cncc(c2)F 7a_100000745507_100000725299 [0,2,0,0,0,0|2,0,0]=4 21410 B17R2.41893 Cc1ncccc1SCc2cccc(c2)Br 62a_100000211773_100000751574 [0,2,0,0,0,0|2,0,0]=4 21411 B17R2.41893 Cc1ncccc1SCc2cccc(c2)Br 62a_100000751574_100000211773 [0,2,0,0,0,0|2,0,0]=4 21412 B17R2.41893 Cc1ncccc1SCc2cccc(c2)Cl 62a_100000187163_100000751574 [0,2,0,0,0,0|2,0,0]=4 21413 B17R2.41893 Cc1ncccc1SCc2cccc(c2)Cl 62a_100000751574_100000187163 [0,2,0,0,0,0|2,0,0]=4 21414 B17R2.41893 Cc1ncccc1SCc2cccc(c2)F 62a_100000230114_100000751574 [0,2,0,0,0,0|2,0,0]=4 21415 B17R2.41893 Cc1ncccc1SCc2cccc(c2)F 62a_100000751574_100000230114 [0,2,0,0,0,0|2,0,0]=4 21416 B17R2.41893 Cc1ncccc1SCc2cccc(c2)I 62a_100000751574_100011218688 [0,2,0,0,0,0|2,0,0]=4 21417 B17R2.41893 Cc1ncccc1SCc2cccc(c2)I 62a_100011218688_100000751574 [0,2,0,0,0,0|2,0,0]=4 21418 B17R2.41893 Cc1ncccc1SCc2cccc(c2)O 62a_100000751574_100011660834 [0,2,0,0,0,0|2,0,0]=4 21419 B17R2.41893 Cc1ncccc1SCc2cccc(c2)O 62a_100011660834_100000751574 [0,2,0,0,0,0|2,0,0]=4 21420 B17R2.41893 Cc1ncccc1SCc2cncc(c2)Br 62a_100000738771_100000751574 [0,2,0,0,0,0|2,0,0]=4 21421 B17R2.41893 Cc1ncccc1SCc2cncc(c2)Br 62a_100000751574_100000738771 [0,2,0,0,0,0|2,0,0]=4 21422 B17R2.41893 Cc1ncccc1SCc2cncc(c2)Cl 62a_100000751574_100016992070 [0,2,0,0,0,0|2,0,0]=4 21423 B17R2.41893 Cc1ncccc1SCc2cncc(c2)Cl 62a_100016992070_100000751574 [0,2,0,0,0,0|2,0,0]=4 21424 B17R2.41893 Cc1ncccc1SCc2cncc(c2)F 62a_100000725299_100000751574 [0,2,0,0,0,0|2,0,0]=4 21425 B17R2.41893 Cc1ncccc1SCc2cncc(c2)F 62a_100000751574_100000725299 [0,2,0,0,0,0|2,0,0]=4 21426 B17R2.41893 Cc1nccnc1CNc2cc(ccn2)F 27a_100020641712_100000764206 [0,2,0,0,0,0|2,0,0]=4 21427 B17R2.41893 Cc1nccnc1CNc2cc[nH]c(=O)c2 27a_100020641712_100000061649 [0,2,0,0,0,0|2,0,0]=4 21428 B17R2.41893 Cc1nccnc1CNc2cccc(n2)F 27a_100020641712_100009815982 [0,2,0,0,0,0|2,0,0]=4 21429 B17R2.41893 Cc1nccnc1CNc2ccnc(c2)F 27a_100020641712_100009816116 [0,2,0,0,0,0|2,0,0]=4 21430 B17R2.41893 Cc1nccnc1NCc2cncc(c2)Br 27a_100011249555_100011999405 [0,2,0,0,0,0|2,0,0]=4 21431 B17R2.41893 Cc1nccnc1NCc2cncc(c2)Cl 27a_200020614424_100011999405 [0,2,0,0,0,0|2,0,0]=4 21432 B17R2.41893 Cc1nccnc1NCc2cncc(c2)F 27a_100011962886_100011999405 [0,2,0,0,0,0|2,0,0]=4 21433 B17R2.41893 Clc1cc(ccn1)CNc2ccccc2Br 34a_100000210017_100000764220 [0,2,0,0,0,0|2,0,0]=4 21434 B17R2.41893 Clc1cc(ccn1)CNc2ccccc2Cl 34a_100000185783_100000764220 [0,2,0,0,0,0|2,0,0]=4 21435 B17R2.41893 Clc1cc(ccn1)CNc2ccccc2I 34a_100000210053_100000764220 [0,2,0,0,0,0|2,0,0]=4 21436 B17R2.41893 Clc1cc(ccn1)OCc2cccnc2Br 34a_100000762945_100010140945 [0,2,0,0,0,0|2,0,0]=4 21437 B17R2.41893 Clc1cc(ccn1)OCc2cccnc2Cl 34a_100000762945_100000045678 [0,2,0,0,0,0|2,0,0]=4 21438 B17R2.41893 Clc1cc(ccn1)SCc2cccnc2Br 62a_100000035001_100010140945 [0,2,0,0,0,0|2,0,0]=4 21439 B17R2.41893 Clc1cc(ccn1)SCc2cccnc2Br 62a_100010140945_100000035001 [0,2,0,0,0,0|2,0,0]=4 21440 B17R2.41893 Clc1cc(ccn1)SCc2cccnc2Cl 62a_100000035001_100000045678 [0,2,0,0,0,0|2,0,0]=4 21441 B17R2.41893 Clc1cc(ccn1)SCc2cccnc2Cl 62a_100000045678_100000035001 [0,2,0,0,0,0|2,0,0]=4 21442 B17R2.41893 Clc1cccc(c1)C=Cc2cccnc2Br 271570a_100102525933_100010202626 [0,2,0,0,0,0|1,0,1]=4 21443 B17R2.41893 Clc1cccc(c1)C=Cc2cccnc2Cl 271570a_100102525933_100000036424 [0,2,0,0,0,0|1,0,1]=4 21444 B17R2.41893 Clc1cccc(c1)C=Cc2cnccc2Br 271570a_100102525933_100010138639 [0,2,0,0,0,0|1,0,1]=4 21445 B17R2.41893 Clc1cccc(c1)C=Cc2cnccc2Cl 271570a_100102525933_100009995489 [0,2,0,0,0,0|1,0,1]=4 21446 B17R2.41893 Clc1cccc(c1)CNc2ccccc2Br 207a_100000210017_100000210801 [0,2,0,0,0,0|1,0,0]=3 21447 B17R2.41893 Clc1cccc(c1)CNc2ccccc2Br 34a_100000210017_100000187163 [0,2,0,0,0,0|1,0,0]=3 21448 B17R2.41893 Clc1cccc(c1)CNc2ccccc2Cl 207a_100000185783_100000210801 [0,2,0,0,0,0|1,0,0]=3 21449 B17R2.41893 Clc1cccc(c1)CNc2ccccc2Cl 34a_100000185783_100000187163 [0,2,0,0,0,0|1,0,0]=3 21450 B17R2.41893 Clc1cccc(c1)CNc2ccccc2I 207a_100000210053_100000210801 [0,2,0,0,0,0|1,0,0]=3 21451 B17R2.41893 Clc1cccc(c1)CNc2ccccc2I 34a_100000210053_100000187163 [0,2,0,0,0,0|1,0,0]=3 21452 B17R2.41893 Clc1cccc(c1)CNc2ccncc2Br 27a_100000174878_100000726257 [0,2,0,0,0,0|2,0,0]=4 21453 B17R2.41893 Clc1cccc(c1)CNc2ncccc2Br 27a_100000174878_100000696092 [0,2,0,0,0,0|2,0,0]=4 21454 B17R2.41893 Clc1cccc(c1)COc2ccccc2Br 34a_100000181306_100000187163 [0,2,0,0,0,0|2,0,0]=4 21455 B17R2.41893 Clc1cccc(c1)COc2ccccc2Br 7a_100000181306_100000187163 [0,2,0,0,0,0|2,0,0]=4 21456 B17R2.41893 Clc1cccc(c1)COc2ccccc2Cl 34a_100000210172_100000187163 [0,2,0,0,0,0|2,0,0]=4 21457 B17R2.41893 Clc1cccc(c1)COc2ccccc2Cl 7a_100000210172_100000187163 [0,2,0,0,0,0|2,0,0]=4 21458 B17R2.41893 Clc1cccc(c1)COc2ccccc2I 34a_100000739446_100000187163 [0,2,0,0,0,0|2,0,0]=4 21459 B17R2.41893 Clc1cccc(c1)COc2ccccc2I 7a_100000739446_100000187163 [0,2,0,0,0,0|2,0,0]=4 21460 B17R2.41893 Clc1cccc(c1)COc2cccnc2Br 34a_100000744436_100000187163 [0,2,0,0,0,0|2,0,0]=4 21461 B17R2.41893 Clc1cccc(c1)COc2cccnc2Br 7a_100000744436_100000187163 [0,2,0,0,0,0|2,0,0]=4 21462 B17R2.41893 Clc1cccc(c1)COc2cccnc2Cl 34a_100000757616_100000187163 [0,2,0,0,0,0|2,0,0]=4 21463 B17R2.41893 Clc1cccc(c1)COc2cccnc2Cl 7a_100000757616_100000187163 [0,2,0,0,0,0|2,0,0]=4 21464 B17R2.41893 Clc1cccc(c1)COc2cccnc2I 34a_100000034122_100000187163 [0,2,0,0,0,0|2,0,0]=4 21465 B17R2.41893 Clc1cccc(c1)COc2cccnc2I 7a_100000034122_100000187163 [0,2,0,0,0,0|2,0,0]=4 21466 B17R2.41893 Clc1cccc(c1)COc2cnccc2Cl 34a_100011996695_100000187163 [0,2,0,0,0,0|2,0,0]=4 21467 B17R2.41893 Clc1cccc(c1)COc2cnccc2I 34a_100000050107_100000187163 [0,2,0,0,0,0|2,0,0]=4 21468 B17R2.41893 Clc1cccc(c1)CSc2ccccc2Br 62a_100000187163_100000695589 [0,2,0,0,0,0|2,0,0]=4 21469 B17R2.41893 Clc1cccc(c1)CSc2ccccc2Br 62a_100000695589_100000187163 [0,2,0,0,0,0|2,0,0]=4 21470 B17R2.41893 Clc1cccc(c1)CSc2ccccc2Cl 62a_100000187163_100000764095 [0,2,0,0,0,0|2,0,0]=4 21471 B17R2.41893 Clc1cccc(c1)CSc2ccccc2Cl 62a_100000764095_100000187163 [0,2,0,0,0,0|2,0,0]=4 21472 B17R2.41893 Clc1cccc(c1)CSc2cccnc2Br 62a_100000187163_100010202626 [0,2,0,0,0,0|2,0,0]=4 21473 B17R2.41893 Clc1cccc(c1)CSc2cccnc2Br 62a_100010202626_100000187163 [0,2,0,0,0,0|2,0,0]=4 21474 B17R2.41893 Clc1cccc(c1)CSc2cccnc2Cl 62a_100000036424_100000187163 [0,2,0,0,0,0|2,0,0]=4 21475 B17R2.41893 Clc1cccc(c1)CSc2cccnc2Cl 62a_100000187163_100000036424 [0,2,0,0,0,0|2,0,0]=4 21476 B17R2.41893 Clc1cccc(c1)CSc2cnccc2Br 62a_100000187163_100010138639 [0,2,0,0,0,0|2,0,0]=4 21477 B17R2.41893 Clc1cccc(c1)CSc2cnccc2Br 62a_100010138639_100000187163 [0,2,0,0,0,0|2,0,0]=4 21478 B17R2.41893 Clc1cccc(c1)CSc2cnccc2Cl 62a_100000187163_100009995489 [0,2,0,0,0,0|2,0,0]=4 21479 B17R2.41893 Clc1cccc(c1)CSc2cnccc2Cl 62a_100009995489_100000187163 [0,2,0,0,0,0|2,0,0]=4 21480 B17R2.41893 Clc1cccc(c1)NCc2ccccc2Br 207a_100000185859_100000211189 [0,2,0,0,0,0|1,0,0]=3 21481 B17R2.41893 Clc1cccc(c1)NCc2ccccc2Br 270302a_100000185859_100000211189 [0,2,0,0,0,0|1,0,0]=3 21482 B17R2.41893 Clc1cccc(c1)NCc2ccccc2Br 34a_100000185859_100000184730 [0,2,0,0,0,0|1,0,0]=3 21483 B17R2.41893 Clc1cccc(c1)NCc2ccccc2Cl 207a_100000185859_100000210073 [0,2,0,0,0,0|1,0,0]=3 21484 B17R2.41893 Clc1cccc(c1)NCc2ccccc2Cl 270302a_100000185859_100000210073 [0,2,0,0,0,0|1,0,0]=3 21485 B17R2.41893 Clc1cccc(c1)NCc2ccccc2Cl 34a_100000185859_100000187162 [0,2,0,0,0,0|1,0,0]=3 21486 B17R2.41893 Clc1cccc(c1)NCc2ccccc2I 207a_100000185859_100000010305 [0,2,0,0,0,0|1,0,0]=3 21487 B17R2.41893 Clc1cccc(c1)NCc2ccccc2I 34a_100000185859_100011215278 [0,2,0,0,0,0|1,0,0]=3 21488 B17R2.41893 Clc1cccc(c1)NCc2cccnc2Br 34a_100000185859_100010140945 [0,2,0,0,0,0|0,0,0]=2 21489 B17R2.41893 Clc1cccc(c1)NCc2cccnc2Cl 34a_100000185859_100000045678 [0,2,0,0,0,0|0,0,0]=2 21490 B17R2.41893 Clc1cccc(c1)NCc2ccncc2Cl 207a_100000185859_100011934409 [0,2,0,0,0,0|2,0,0]=4 21491 B17R2.41893 Clc1cccc(c1)NCc2ncccc2Br 207a_100000185859_100011934733 [0,2,0,0,0,0|2,0,0]=4 21492 B17R2.41893 Clc1cccc(c1)NCc2ncccc2Br 34a_100000185859_100025702911 [0,2,0,0,0,0|2,0,0]=4 21493 B17R2.41893 Clc1cccc(c1)NCc2ncccc2Cl 207a_100000185859_100012001307 [0,2,0,0,0,0|2,0,0]=4 21494 B17R2.41893 Clc1cccc(c1)OCc2ccccc2Br 34a_100000210295_100000184730 [0,2,0,0,0,0|2,0,0]=4 21495 B17R2.41893 Clc1cccc(c1)OCc2ccccc2Br 7a_100000210295_100000184730 [0,2,0,0,0,0|2,0,0]=4 21496 B17R2.41893 Clc1cccc(c1)OCc2ccccc2Cl 34a_100000210295_100000187162 [0,2,0,0,0,0|2,0,0]=4 21497 B17R2.41893 Clc1cccc(c1)OCc2ccccc2Cl 7a_100000210295_100000187162 [0,2,0,0,0,0|2,0,0]=4 21498 B17R2.41893 Clc1cccc(c1)OCc2ccccc2I 34a_100000210295_100011215278 [0,2,0,0,0,0|2,0,0]=4 21499 B17R2.41893 Clc1cccc(c1)OCc2ccccc2I 7a_100000210295_100011215278 [0,2,0,0,0,0|2,0,0]=4 21500 B17R2.41893 Clc1cccc(c1)OCc2cccnc2Br 34a_100000210295_100010140945 [0,2,0,0,0,0|1,0,0]=3 21501 B17R2.41893 Clc1cccc(c1)OCc2cccnc2Br 7a_100000210295_100010140945 [0,2,0,0,0,0|1,0,0]=3 21502 B17R2.41893 Clc1cccc(c1)OCc2cccnc2Cl 34a_100000210295_100000045678 [0,2,0,0,0,0|1,0,0]=3 21503 B17R2.41893 Clc1cccc(c1)OCc2cccnc2Cl 7a_100000210295_100000045678 [0,2,0,0,0,0|1,0,0]=3 21504 B17R2.41893 Clc1cccc(c1)SCc2ccccc2Br 62a_100000184730_100000699651 [0,2,0,0,0,0|2,0,0]=4 21505 B17R2.41893 Clc1cccc(c1)SCc2ccccc2Br 62a_100000699651_100000184730 [0,2,0,0,0,0|2,0,0]=4 21506 B17R2.41893 Clc1cccc(c1)SCc2ccccc2Cl 62a_100000187162_100000699651 [0,2,0,0,0,0|2,0,0]=4 21507 B17R2.41893 Clc1cccc(c1)SCc2ccccc2Cl 62a_100000699651_100000187162 [0,2,0,0,0,0|2,0,0]=4 21508 B17R2.41893 Clc1cccc(c1)SCc2ccccc2I 62a_100000699651_100011216222 [0,2,0,0,0,0|2,0,0]=4 21509 B17R2.41893 Clc1cccc(c1)SCc2ccccc2I 62a_100011216222_100000699651 [0,2,0,0,0,0|2,0,0]=4 21510 B17R2.41893 Clc1cccc(c1)SCc2cccnc2Br 62a_100000699651_100010140945 [0,2,0,0,0,0|1,0,0]=3 21511 B17R2.41893 Clc1cccc(c1)SCc2cccnc2Br 62a_100010140945_100000699651 [0,2,0,0,0,0|1,0,0]=3 21512 B17R2.41893 Clc1cccc(c1)SCc2cccnc2Cl 62a_100000045678_100000699651 [0,2,0,0,0,0|1,0,0]=3 21513 B17R2.41893 Clc1cccc(c1)SCc2cccnc2Cl 62a_100000699651_100000045678 [0,2,0,0,0,0|1,0,0]=3 21514 B17R2.41893 Clc1cccc(n1)CNc2ccccc2Br 34a_100000210017_100000086093 [0,2,0,0,0,0|2,0,0]=4 21515 B17R2.41893 Clc1cccc(n1)CNc2ccccc2Cl 34a_100000185783_100000086093 [0,2,0,0,0,0|2,0,0]=4 21516 B17R2.41893 Clc1cccc(n1)CNc2ccccc2I 34a_100000210053_100000086093 [0,2,0,0,0,0|2,0,0]=4 21517 B17R2.41893 Clc1cccc(n1)SCc2cccnc2Br 62a_100000051397_100010140945 [0,2,0,0,0,0|2,0,0]=4 21518 B17R2.41893 Clc1cccc(n1)SCc2cccnc2Br 62a_100010140945_100000051397 [0,2,0,0,0,0|2,0,0]=4 21519 B17R2.41893 Clc1cccc(n1)SCc2cccnc2Cl 62a_100000045678_100000051397 [0,2,0,0,0,0|2,0,0]=4 21520 B17R2.41893 Clc1cccc(n1)SCc2cccnc2Cl 62a_100000051397_100000045678 [0,2,0,0,0,0|2,0,0]=4 21521 B17R2.41893 Clc1ccccc1CNc2cccc(c2)Br 207a_100000210019_100000210073 [0,2,0,0,0,0|1,0,0]=3 21522 B17R2.41893 Clc1ccccc1CNc2cccc(c2)Br 270302a_100000210019_100000210073 [0,2,0,0,0,0|1,0,0]=3 21523 B17R2.41893 Clc1ccccc1CNc2cccc(c2)Br 34a_100000210019_100000187162 [0,2,0,0,0,0|1,0,0]=3 21524 B17R2.41893 Clc1ccccc1CNc2cccc(c2)I 207a_100000211102_100000210073 [0,2,0,0,0,0|1,0,0]=3 21525 B17R2.41893 Clc1ccccc1CNc2cccc(c2)I 270302a_100000211102_100000210073 [0,2,0,0,0,0|1,0,0]=3 21526 B17R2.41893 Clc1ccccc1CNc2cccc(c2)I 34a_100000211102_100000187162 [0,2,0,0,0,0|1,0,0]=3 21527 B17R2.41893 Clc1ccccc1COc2cccc(c2)Br 34a_100000210342_100000187162 [0,2,0,0,0,0|2,0,0]=4 21528 B17R2.41893 Clc1ccccc1COc2cccc(c2)Br 7a_100000210342_100000187162 [0,2,0,0,0,0|2,0,0]=4 21529 B17R2.41893 Clc1ccccc1COc2cccc(c2)I 34a_100000211634_100000187162 [0,2,0,0,0,0|2,0,0]=4 21530 B17R2.41893 Clc1ccccc1COc2cccc(c2)I 7a_100000211634_100000187162 [0,2,0,0,0,0|2,0,0]=4 21531 B17R2.41893 Clc1ccccc1COc2cncc(c2)Br 34a_100000754920_100000187162 [0,2,0,0,0,0|2,0,0]=4 21532 B17R2.41893 Clc1ccccc1COc2cncc(c2)Br 7a_100000754920_100000187162 [0,2,0,0,0,0|2,0,0]=4 21533 B17R2.41893 Clc1ccccc1CSc2cccc(c2)Br 62a_100000187162_100000691529 [0,2,0,0,0,0|2,0,0]=4 21534 B17R2.41893 Clc1ccccc1CSc2cccc(c2)Br 62a_100000691529_100000187162 [0,2,0,0,0,0|2,0,0]=4 21535 B17R2.41893 Clc1ccccc1CSc2cncc(c2)Br 62a_100000187162_100000728054 [0,2,0,0,0,0|2,0,0]=4 21536 B17R2.41893 Clc1ccccc1CSc2cncc(c2)Br 62a_100000728054_100000187162 [0,2,0,0,0,0|2,0,0]=4 21537 B17R2.41893 Clc1ccccc1NCc2cc(ccn2)Br 34a_100000185783_100010173614 [0,2,0,0,0,0|2,0,0]=4 21538 B17R2.41893 Clc1ccccc1NCc2cccc(c2)Br 207a_100000185783_100000210085 [0,2,0,0,0,0|1,0,0]=3 21539 B17R2.41893 Clc1ccccc1NCc2cccc(c2)Br 34a_100000185783_100000698116 [0,2,0,0,0,0|1,0,0]=3 21540 B17R2.41893 Clc1ccccc1NCc2cccc(c2)I 207a_100000185783_100000014684 [0,2,0,0,0,0|1,0,0]=3 21541 B17R2.41893 Clc1ccccc1NCc2cccc(c2)I 34a_100000185783_100011218688 [0,2,0,0,0,0|1,0,0]=3 21542 B17R2.41893 Clc1ccccc1NCc2cccc(n2)Br 34a_100000185783_100009889011 [0,2,0,0,0,0|2,0,0]=4 21543 B17R2.41893 Clc1ccccc1NCc2ccnc(c2)Br 34a_100000185783_100010243470 [0,2,0,0,0,0|2,0,0]=4 21544 B17R2.41893 Clc1ccccc1NCc2cncc(c2)Br 207a_100000185783_100000687066 [0,2,0,0,0,0|0,0,0]=2 21545 B17R2.41893 Clc1ccccc1NCc2cncc(c2)Br 34a_100000185783_100000738771 [0,2,0,0,0,0|0,0,0]=2 21546 B17R2.41893 Clc1ccccc1OCc2cccc(c2)Br 34a_100000210172_100000698116 [0,2,0,0,0,0|2,0,0]=4 21547 B17R2.41893 Clc1ccccc1OCc2cccc(c2)Br 7a_100000210172_100000211773 [0,2,0,0,0,0|2,0,0]=4 21548 B17R2.41893 Clc1ccccc1OCc2cccc(c2)I 34a_100000210172_100011218688 [0,2,0,0,0,0|2,0,0]=4 21549 B17R2.41893 Clc1ccccc1OCc2cccc(c2)I 7a_100000210172_100011218688 [0,2,0,0,0,0|2,0,0]=4 21550 B17R2.41893 Clc1ccccc1OCc2cncc(c2)Br 34a_100000210172_100000738771 [0,2,0,0,0,0|1,0,0]=3 21551 B17R2.41893 Clc1ccccc1OCc2cncc(c2)Br 7a_100000210172_100000738771 [0,2,0,0,0,0|1,0,0]=3 21552 B17R2.41893 Clc1ccccc1SCc2cccc(c2)Br 62a_100000211773_100000764095 [0,2,0,0,0,0|2,0,0]=4 21553 B17R2.41893 Clc1ccccc1SCc2cccc(c2)Br 62a_100000764095_100000211773 [0,2,0,0,0,0|2,0,0]=4 21554 B17R2.41893 Clc1ccccc1SCc2cccc(c2)I 62a_100000764095_100011218688 [0,2,0,0,0,0|2,0,0]=4 21555 B17R2.41893 Clc1ccccc1SCc2cccc(c2)I 62a_100011218688_100000764095 [0,2,0,0,0,0|2,0,0]=4 21556 B17R2.41893 Clc1ccccc1SCc2cncc(c2)Br 62a_100000738771_100000764095 [0,2,0,0,0,0|1,0,0]=3 21557 B17R2.41893 Clc1ccccc1SCc2cncc(c2)Br 62a_100000764095_100000738771 [0,2,0,0,0,0|1,0,0]=3 21558 B17R2.41893 Clc1cccnc1CNc2cccc(c2)Br 207a_100000210019_100012001307 [0,2,0,0,0,0|2,0,0]=4 21559 B17R2.41893 Clc1cccnc1CNc2cccc(c2)I 207a_100000211102_100012001307 [0,2,0,0,0,0|2,0,0]=4 21560 B17R2.41893 Clc1cccnc1OCc2cncc(c2)Br 34a_100011290957_100000738771 [0,2,0,0,0,0|2,0,0]=4 21561 B17R2.41893 Clc1cccnc1SCc2cncc(c2)Br 62a_100000738771_100011356963 [0,2,0,0,0,0|2,0,0]=4 21562 B17R2.41893 Clc1cccnc1SCc2cncc(c2)Br 62a_100011356963_100000738771 [0,2,0,0,0,0|2,0,0]=4 21563 B17R2.41893 Clc1ccnc(c1)CNc2ccccc2Br 34a_100000210017_100016988179 [0,2,0,0,0,0|2,0,0]=4 21564 B17R2.41893 Clc1ccnc(c1)CNc2ccccc2Cl 34a_100000185783_100016988179 [0,2,0,0,0,0|2,0,0]=4 21565 B17R2.41893 Clc1ccnc(c1)CNc2ccccc2I 34a_100000210053_100016988179 [0,2,0,0,0,0|2,0,0]=4 21566 B17R2.41893 Clc1ccnc(c1)SCc2cccnc2Br 62a_100010140945_100010167805 [0,2,0,0,0,0|2,0,0]=4 21567 B17R2.41893 Clc1ccnc(c1)SCc2cccnc2Br 62a_100010167805_100010140945 [0,2,0,0,0,0|2,0,0]=4 21568 B17R2.41893 Clc1ccnc(c1)SCc2cccnc2Cl 62a_100000045678_100010167805 [0,2,0,0,0,0|2,0,0]=4 21569 B17R2.41893 Clc1ccnc(c1)SCc2cccnc2Cl 62a_100010167805_100000045678 [0,2,0,0,0,0|2,0,0]=4 21570 B17R2.41893 Clc1ccncc1OCc2cccc(c2)Br 34a_100011996695_100000698116 [0,2,0,0,0,0|2,0,0]=4 21571 B17R2.41893 Clc1ccncc1OCc2cccc(c2)I 34a_100011996695_100011218688 [0,2,0,0,0,0|2,0,0]=4 21572 B17R2.41893 Clc1ccncc1OCc2cncc(c2)Br 34a_100011996695_100000738771 [0,2,0,0,0,0|2,0,0]=4 21573 B17R2.41893 Clc1ccncc1SCc2cccc(c2)Br 62a_100000211773_100009995489 [0,2,0,0,0,0|2,0,0]=4 21574 B17R2.41893 Clc1ccncc1SCc2cccc(c2)Br 62a_100009995489_100000211773 [0,2,0,0,0,0|2,0,0]=4 21575 B17R2.41893 Clc1ccncc1SCc2cccc(c2)I 62a_100009995489_100011218688 [0,2,0,0,0,0|2,0,0]=4 21576 B17R2.41893 Clc1ccncc1SCc2cccc(c2)I 62a_100011218688_100009995489 [0,2,0,0,0,0|2,0,0]=4 21577 B17R2.41893 Clc1ccncc1SCc2cncc(c2)Br 62a_100000738771_100009995489 [0,2,0,0,0,0|2,0,0]=4 21578 B17R2.41893 Clc1ccncc1SCc2cncc(c2)Br 62a_100009995489_100000738771 [0,2,0,0,0,0|2,0,0]=4 21579 B17R2.41893 Clc1cncc(c1)CNc2ccccc2Br 207a_100000210017_100000088910 [0,2,0,0,0,0|0,0,0]=2 21580 B17R2.41893 Clc1cncc(c1)CNc2ccccc2Br 34a_100000210017_100016992070 [0,2,0,0,0,0|0,0,0]=2 21581 B17R2.41893 Clc1cncc(c1)CNc2ccccc2Cl 207a_100000185783_100000088910 [0,2,0,0,0,0|0,0,0]=2 21582 B17R2.41893 Clc1cncc(c1)CNc2ccccc2Cl 34a_100000185783_100016992070 [0,2,0,0,0,0|0,0,0]=2 21583 B17R2.41893 Clc1cncc(c1)CNc2ccccc2I 207a_100000210053_100000088910 [0,2,0,0,0,0|0,0,0]=2 21584 B17R2.41893 Clc1cncc(c1)CNc2ccccc2I 34a_100000210053_100016992070 [0,2,0,0,0,0|0,0,0]=2 21585 B17R2.41893 Clc1cncc(c1)CNc2ccncc2Br 27a_200020614424_100000726257 [0,2,0,0,0,0|1,0,0]=3 21586 B17R2.41893 Clc1cncc(c1)CNc2ncccc2Br 27a_200020614424_100000696092 [0,2,0,0,0,0|1,0,0]=3 21587 B17R2.41893 Clc1cncc(c1)COc2ccccc2Br 34a_100000181306_100016992070 [0,2,0,0,0,0|1,0,0]=3 21588 B17R2.41893 Clc1cncc(c1)COc2ccccc2Br 7a_100000181306_100016992070 [0,2,0,0,0,0|1,0,0]=3 21589 B17R2.41893 Clc1cncc(c1)COc2ccccc2Cl 34a_100000210172_100016992070 [0,2,0,0,0,0|1,0,0]=3 21590 B17R2.41893 Clc1cncc(c1)COc2ccccc2Cl 7a_100000210172_100016992070 [0,2,0,0,0,0|1,0,0]=3 21591 B17R2.41893 Clc1cncc(c1)COc2ccccc2I 34a_100000739446_100016992070 [0,2,0,0,0,0|1,0,0]=3 21592 B17R2.41893 Clc1cncc(c1)COc2ccccc2I 7a_100000739446_100016992070 [0,2,0,0,0,0|1,0,0]=3 21593 B17R2.41893 Clc1cncc(c1)COc2cccnc2Br 34a_100000744436_100016992070 [0,2,0,0,0,0|2,0,0]=4 21594 B17R2.41893 Clc1cncc(c1)COc2cccnc2Br 7a_100000744436_100016992070 [0,2,0,0,0,0|2,0,0]=4 21595 B17R2.41893 Clc1cncc(c1)COc2cccnc2Cl 34a_100000757616_100016992070 [0,2,0,0,0,0|2,0,0]=4 21596 B17R2.41893 Clc1cncc(c1)COc2cccnc2Cl 7a_100000757616_100016992070 [0,2,0,0,0,0|2,0,0]=4 21597 B17R2.41893 Clc1cncc(c1)COc2cccnc2I 34a_100000034122_100016992070 [0,2,0,0,0,0|2,0,0]=4 21598 B17R2.41893 Clc1cncc(c1)COc2cccnc2I 7a_100000034122_100016992070 [0,2,0,0,0,0|2,0,0]=4 21599 B17R2.41893 Clc1cncc(c1)COc2ccncc2Br 34a_100011996408_100016992070 [0,2,0,0,0,0|2,0,0]=4 21600 B17R2.41893 Clc1cncc(c1)COc2ccncc2Cl 34a_100011997054_100016992070 [0,2,0,0,0,0|2,0,0]=4 21601 B17R2.41893 Clc1cncc(c1)COc2cnccc2Cl 34a_100011996695_100016992070 [0,2,0,0,0,0|2,0,0]=4 21602 B17R2.41893 Clc1cncc(c1)COc2cnccc2I 34a_100000050107_100016992070 [0,2,0,0,0,0|2,0,0]=4 21603 B17R2.41893 Clc1cncc(c1)COc2ncccc2Cl 34a_100011290957_100016992070 [0,2,0,0,0,0|2,0,0]=4 21604 B17R2.41893 Clc1cncc(c1)CSc2ccccc2Br 62a_100000695589_100016992070 [0,2,0,0,0,0|1,0,0]=3 21605 B17R2.41893 Clc1cncc(c1)CSc2ccccc2Br 62a_100016992070_100000695589 [0,2,0,0,0,0|1,0,0]=3 21606 B17R2.41893 Clc1cncc(c1)CSc2ccccc2Cl 62a_100000764095_100016992070 [0,2,0,0,0,0|1,0,0]=3 21607 B17R2.41893 Clc1cncc(c1)CSc2ccccc2Cl 62a_100016992070_100000764095 [0,2,0,0,0,0|1,0,0]=3 21608 B17R2.41893 Clc1cncc(c1)CSc2cccnc2Br 62a_100010202626_100016992070 [0,2,0,0,0,0|2,0,0]=4 21609 B17R2.41893 Clc1cncc(c1)CSc2cccnc2Br 62a_100016992070_100010202626 [0,2,0,0,0,0|2,0,0]=4 21610 B17R2.41893 Clc1cncc(c1)CSc2cccnc2Cl 62a_100000036424_100016992070 [0,2,0,0,0,0|2,0,0]=4 21611 B17R2.41893 Clc1cncc(c1)CSc2cccnc2Cl 62a_100016992070_100000036424 [0,2,0,0,0,0|2,0,0]=4 21612 B17R2.41893 Clc1cncc(c1)CSc2ccncc2Br 62a_100000726257_100016992070 [0,2,0,0,0,0|2,0,0]=4 21613 B17R2.41893 Clc1cncc(c1)CSc2ccncc2Br 62a_100016992070_100000726257 [0,2,0,0,0,0|2,0,0]=4 21614 B17R2.41893 Clc1cncc(c1)CSc2ccncc2Cl 62a_100000708259_100016992070 [0,2,0,0,0,0|2,0,0]=4 21615 B17R2.41893 Clc1cncc(c1)CSc2ccncc2Cl 62a_100016992070_100000708259 [0,2,0,0,0,0|2,0,0]=4 21616 B17R2.41893 Clc1cncc(c1)CSc2cnccc2Br 62a_100010138639_100016992070 [0,2,0,0,0,0|2,0,0]=4 21617 B17R2.41893 Clc1cncc(c1)CSc2cnccc2Br 62a_100016992070_100010138639 [0,2,0,0,0,0|2,0,0]=4 21618 B17R2.41893 Clc1cncc(c1)CSc2cnccc2Cl 62a_100009995489_100016992070 [0,2,0,0,0,0|2,0,0]=4 21619 B17R2.41893 Clc1cncc(c1)CSc2cnccc2Cl 62a_100016992070_100009995489 [0,2,0,0,0,0|2,0,0]=4 21620 B17R2.41893 Clc1cncc(c1)CSc2ncccc2Br 62a_100000696092_100016992070 [0,2,0,0,0,0|2,0,0]=4 21621 B17R2.41893 Clc1cncc(c1)CSc2ncccc2Br 62a_100016992070_100000696092 [0,2,0,0,0,0|2,0,0]=4 21622 B17R2.41893 Clc1cncc(c1)CSc2ncccc2Cl 62a_100011356963_100016992070 [0,2,0,0,0,0|2,0,0]=4 21623 B17R2.41893 Clc1cncc(c1)CSc2ncccc2Cl 62a_100016992070_100011356963 [0,2,0,0,0,0|2,0,0]=4 21624 B17R2.41893 Clc1cncc(c1)OCc2ccccc2Br 7a_100000032511_100000184730 [0,2,0,0,0,0|2,0,0]=4 21625 B17R2.41893 Clc1cncc(c1)OCc2ccccc2Cl 7a_100000032511_100000187162 [0,2,0,0,0,0|2,0,0]=4 21626 B17R2.41893 Clc1cncc(c1)OCc2ccccc2I 7a_100000032511_100011215278 [0,2,0,0,0,0|2,0,0]=4 21627 B17R2.41893 Clc1cncc(c1)OCc2cccnc2Br 7a_100000032511_100010140945 [0,2,0,0,0,0|2,0,0]=4 21628 B17R2.41893 Clc1cncc(c1)OCc2cccnc2Cl 7a_100000032511_100000045678 [0,2,0,0,0,0|2,0,0]=4 21629 B17R2.41893 Clc1cncc(c1)SCc2ccccc2Br 62a_100000049639_100000184730 [0,2,0,0,0,0|2,0,0]=4 21630 B17R2.41893 Clc1cncc(c1)SCc2ccccc2Br 62a_100000184730_100000049639 [0,2,0,0,0,0|2,0,0]=4 21631 B17R2.41893 Clc1cncc(c1)SCc2ccccc2Cl 62a_100000049639_100000187162 [0,2,0,0,0,0|2,0,0]=4 21632 B17R2.41893 Clc1cncc(c1)SCc2ccccc2Cl 62a_100000187162_100000049639 [0,2,0,0,0,0|2,0,0]=4 21633 B17R2.41893 Clc1cncc(c1)SCc2ccccc2I 62a_100000049639_100011216222 [0,2,0,0,0,0|2,0,0]=4 21634 B17R2.41893 Clc1cncc(c1)SCc2ccccc2I 62a_100011216222_100000049639 [0,2,0,0,0,0|2,0,0]=4 21635 B17R2.41893 Clc1cncc(c1)SCc2cccnc2Br 62a_100000049639_100010140945 [0,2,0,0,0,0|2,0,0]=4 21636 B17R2.41893 Clc1cncc(c1)SCc2cccnc2Br 62a_100010140945_100000049639 [0,2,0,0,0,0|2,0,0]=4 21637 B17R2.41893 Clc1cncc(c1)SCc2cccnc2Cl 62a_100000045678_100000049639 [0,2,0,0,0,0|2,0,0]=4 21638 B17R2.41893 Clc1cncc(c1)SCc2cccnc2Cl 62a_100000049639_100000045678 [0,2,0,0,0,0|2,0,0]=4 21639 B17R2.41893 Clc1cncc(n1)NCc2cccnc2Br 27a_100009818023_100010892449 [0,2,0,0,0,0|2,0,0]=4 21640 B17R2.41893 Clc1cncc(n1)NCc2cccnc2Cl 27a_100015189234_100010892449 [0,2,0,0,0,0|2,0,0]=4 21641 B17R2.41893 Clc1cnccc1CNc2cccc(c2)Br 207a_100000210019_100011934409 [0,2,0,0,0,0|2,0,0]=4 21642 B17R2.41893 Clc1cnccc1CNc2cccc(c2)I 207a_100000211102_100011934409 [0,2,0,0,0,0|2,0,0]=4 21643 B17R2.41893 Clc1cnccc1OCc2cncc(c2)Br 34a_100011997054_100000738771 [0,2,0,0,0,0|2,0,0]=4 21644 B17R2.41893 Clc1cnccc1SCc2cncc(c2)Br 62a_100000708259_100000738771 [0,2,0,0,0,0|2,0,0]=4 21645 B17R2.41893 Clc1cnccc1SCc2cncc(c2)Br 62a_100000738771_100000708259 [0,2,0,0,0,0|2,0,0]=4 21646 B17R2.41893 Clc1ncccc1CNc2cccc(c2)Br 34a_100000210019_100000045678 [0,2,0,0,0,0|0,0,0]=2 21647 B17R2.41893 Clc1ncccc1CNc2cccc(c2)I 34a_100000211102_100000045678 [0,2,0,0,0,0|0,0,0]=2 21648 B17R2.41893 Clc1ncccc1COc2cccc(c2)Br 34a_100000210342_100000045678 [0,2,0,0,0,0|1,0,0]=3 21649 B17R2.41893 Clc1ncccc1COc2cccc(c2)Br 7a_100000210342_100000045678 [0,2,0,0,0,0|1,0,0]=3 21650 B17R2.41893 Clc1ncccc1COc2cccc(c2)I 34a_100000211634_100000045678 [0,2,0,0,0,0|1,0,0]=3 21651 B17R2.41893 Clc1ncccc1COc2cccc(c2)I 7a_100000211634_100000045678 [0,2,0,0,0,0|1,0,0]=3 21652 B17R2.41893 Clc1ncccc1COc2cncc(c2)Br 34a_100000754920_100000045678 [0,2,0,0,0,0|2,0,0]=4 21653 B17R2.41893 Clc1ncccc1COc2cncc(c2)Br 7a_100000754920_100000045678 [0,2,0,0,0,0|2,0,0]=4 21654 B17R2.41893 Clc1ncccc1CSc2cccc(c2)Br 62a_100000045678_100000691529 [0,2,0,0,0,0|1,0,0]=3 21655 B17R2.41893 Clc1ncccc1CSc2cccc(c2)Br 62a_100000691529_100000045678 [0,2,0,0,0,0|1,0,0]=3 21656 B17R2.41893 Clc1ncccc1CSc2cccc(n2)Br 62a_100000045678_100000684672 [0,2,0,0,0,0|2,0,0]=4 21657 B17R2.41893 Clc1ncccc1CSc2cccc(n2)Br 62a_100000684672_100000045678 [0,2,0,0,0,0|2,0,0]=4 21658 B17R2.41893 Clc1ncccc1CSc2ccnc(c2)Br 62a_100000045678_100009814637 [0,2,0,0,0,0|2,0,0]=4 21659 B17R2.41893 Clc1ncccc1CSc2ccnc(c2)Br 62a_100009814637_100000045678 [0,2,0,0,0,0|2,0,0]=4 21660 B17R2.41893 Clc1ncccc1CSc2cncc(c2)Br 62a_100000045678_100000728054 [0,2,0,0,0,0|2,0,0]=4 21661 B17R2.41893 Clc1ncccc1CSc2cncc(c2)Br 62a_100000728054_100000045678 [0,2,0,0,0,0|2,0,0]=4 21662 B17R2.41893 Clc1ncccc1OCc2cccc(c2)Br 34a_100000757616_100000698116 [0,2,0,0,0,0|2,0,0]=4 21663 B17R2.41893 Clc1ncccc1OCc2cccc(c2)Br 7a_100000757616_100000211773 [0,2,0,0,0,0|2,0,0]=4 21664 B17R2.41893 Clc1ncccc1OCc2cccc(c2)I 34a_100000757616_100011218688 [0,2,0,0,0,0|2,0,0]=4 21665 B17R2.41893 Clc1ncccc1OCc2cccc(c2)I 7a_100000757616_100011218688 [0,2,0,0,0,0|2,0,0]=4 21666 B17R2.41893 Clc1ncccc1OCc2cncc(c2)Br 34a_100000757616_100000738771 [0,2,0,0,0,0|2,0,0]=4 21667 B17R2.41893 Clc1ncccc1OCc2cncc(c2)Br 7a_100000757616_100000738771 [0,2,0,0,0,0|2,0,0]=4 21668 B17R2.41893 Clc1ncccc1SCc2cccc(c2)Br 62a_100000036424_100000211773 [0,2,0,0,0,0|2,0,0]=4 21669 B17R2.41893 Clc1ncccc1SCc2cccc(c2)Br 62a_100000211773_100000036424 [0,2,0,0,0,0|2,0,0]=4 21670 B17R2.41893 Clc1ncccc1SCc2cccc(c2)I 62a_100000036424_100011218688 [0,2,0,0,0,0|2,0,0]=4 21671 B17R2.41893 Clc1ncccc1SCc2cccc(c2)I 62a_100011218688_100000036424 [0,2,0,0,0,0|2,0,0]=4 21672 B17R2.41893 Clc1ncccc1SCc2cncc(c2)Br 62a_100000036424_100000738771 [0,2,0,0,0,0|2,0,0]=4 21673 B17R2.41893 Clc1ncccc1SCc2cncc(c2)Br 62a_100000738771_100000036424 [0,2,0,0,0,0|2,0,0]=4 21674 B17R2.41893 Fc1cc(ccn1)NCc2ccccc2Br 27a_100000689332_100009816116 [0,2,0,0,0,0|2,0,0]=4 21675 B17R2.41893 Fc1cc(ccn1)NCc2ccccc2Cl 27a_100000174879_100009816116 [0,2,0,0,0,0|2,0,0]=4 21676 B17R2.41893 Fc1cc(ccn1)NCc2ccccc2F 27a_100000174869_100009816116 [0,2,0,0,0,0|2,0,0]=4 21677 B17R2.41893 Fc1cc(ccn1)NCc2ccccc2I 27a_100015347259_100009816116 [0,2,0,0,0,0|2,0,0]=4 21678 B17R2.41893 Fc1cc(ccn1)NCc2cccnc2Br 27a_100009818023_100009816116 [0,2,0,0,0,0|1,0,0]=3 21679 B17R2.41893 Fc1cc(ccn1)NCc2cccnc2Cl 27a_100015189234_100009816116 [0,2,0,0,0,0|1,0,0]=3 21680 B17R2.41893 Fc1cc(ccn1)NCc2cccnc2F 27a_100000724633_100009816116 [0,2,0,0,0,0|1,0,0]=3 21681 B17R2.41893 Fc1cc(ccn1)NCc2nccnc2Cl 27a_100000729963_100009816116 [0,2,0,0,0,0|2,0,0]=4 21682 B17R2.41893 Fc1cc(ccn1)OCc2cccnc2Br 34a_100000732698_100010140945 [0,2,0,0,0,0|2,0,0]=4 21683 B17R2.41893 Fc1cc(ccn1)OCc2cccnc2Cl 34a_100000732698_100000045678 [0,2,0,0,0,0|2,0,0]=4 21684 B17R2.41893 Fc1cc(ccn1)OCc2cccnc2F 34a_100000732698_100000099810 [0,2,0,0,0,0|2,0,0]=4 21685 B17R2.41893 Fc1cc(ccn1)SCc2cccnc2Br 62a_100009816116_100010140945 [0,2,0,0,0,0|2,0,0]=4 21686 B17R2.41893 Fc1cc(ccn1)SCc2cccnc2Br 62a_100010140945_100009816116 [0,2,0,0,0,0|2,0,0]=4 21687 B17R2.41893 Fc1cc(ccn1)SCc2cccnc2Cl 62a_100000045678_100009816116 [0,2,0,0,0,0|2,0,0]=4 21688 B17R2.41893 Fc1cc(ccn1)SCc2cccnc2Cl 62a_100009816116_100000045678 [0,2,0,0,0,0|2,0,0]=4 21689 B17R2.41893 Fc1cc(ccn1)SCc2cccnc2F 62a_100000099810_100009816116 [0,2,0,0,0,0|2,0,0]=4 21690 B17R2.41893 Fc1cc(ccn1)SCc2cccnc2F 62a_100009816116_100000099810 [0,2,0,0,0,0|2,0,0]=4 21691 B17R2.41893 Fc1cc(ncn1)NCc2cccnc2Br 27a_100009818023_200009880791 [0,2,0,0,0,0|2,0,0]=4 21692 B17R2.41893 Fc1cc(ncn1)NCc2cccnc2Cl 27a_100015189234_200009880791 [0,2,0,0,0,0|2,0,0]=4 21693 B17R2.41893 Fc1cc(ncn1)NCc2cccnc2F 27a_100000724633_200009880791 [0,2,0,0,0,0|2,0,0]=4 21694 B17R2.41893 Fc1cccc(c1)C=Cc2cccnc2Br 271570a_100102525537_100010202626 [0,2,0,0,0,0|1,0,1]=4 21695 B17R2.41893 Fc1cccc(c1)C=Cc2cccnc2Cl 271570a_100102525537_100000036424 [0,2,0,0,0,0|1,0,1]=4 21696 B17R2.41893 Fc1cccc(c1)C=Cc2cccnc2F 271570a_100102525537_100009816115 [0,2,0,0,0,0|1,0,1]=4 21697 B17R2.41893 Fc1cccc(c1)C=Cc2cnccc2Br 271570a_100102525537_100010138639 [0,2,0,0,0,0|1,0,1]=4 21698 B17R2.41893 Fc1cccc(c1)C=Cc2cnccc2Cl 271570a_100102525537_100009995489 [0,2,0,0,0,0|1,0,1]=4 21699 B17R2.41893 Fc1cccc(c1)C=Cc2cnccc2F 271570a_100102525537_100009820683 [0,2,0,0,0,0|1,0,1]=4 21700 B17R2.41893 Fc1cccc(c1)CNc2ccccc2Br 207a_100000210017_100000210812 [0,2,0,0,0,0|1,0,0]=3 21701 B17R2.41893 Fc1cccc(c1)CNc2ccccc2Br 34a_100000210017_100000187166 [0,2,0,0,0,0|1,0,0]=3 21702 B17R2.41893 Fc1cccc(c1)CNc2ccccc2Cl 207a_100000185783_100000210812 [0,2,0,0,0,0|1,0,0]=3 21703 B17R2.41893 Fc1cccc(c1)CNc2ccccc2Cl 34a_100000185783_100000187166 [0,2,0,0,0,0|1,0,0]=3 21704 B17R2.41893 Fc1cccc(c1)CNc2ccccc2F 207a_100000210422_100000210812 [0,2,0,0,0,0|1,0,0]=3 21705 B17R2.41893 Fc1cccc(c1)CNc2ccccc2F 34a_100000210422_100000187166 [0,2,0,0,0,0|1,0,0]=3 21706 B17R2.41893 Fc1cccc(c1)CNc2ccccc2I 207a_100000210053_100000210812 [0,2,0,0,0,0|1,0,0]=3 21707 B17R2.41893 Fc1cccc(c1)CNc2ccccc2I 34a_100000210053_100000187166 [0,2,0,0,0,0|1,0,0]=3 21708 B17R2.41893 Fc1cccc(c1)CNc2ccncc2Br 27a_100000174948_100000726257 [0,2,0,0,0,0|2,0,0]=4 21709 B17R2.41893 Fc1cccc(c1)CNc2ccncc2F 27a_100000174948_100000035921 [0,2,0,0,0,0|2,0,0]=4 21710 B17R2.41893 Fc1cccc(c1)CNc2ncccc2Br 27a_100000174948_100000696092 [0,2,0,0,0,0|2,0,0]=4 21711 B17R2.41893 Fc1cccc(c1)COc2ccccc2Br 34a_100000181306_100000187166 [0,2,0,0,0,0|2,0,0]=4 21712 B17R2.41893 Fc1cccc(c1)COc2ccccc2Br 7a_100000181306_100000230114 [0,2,0,0,0,0|2,0,0]=4 21713 B17R2.41893 Fc1cccc(c1)COc2ccccc2Cl 34a_100000210172_100000187166 [0,2,0,0,0,0|2,0,0]=4 21714 B17R2.41893 Fc1cccc(c1)COc2ccccc2Cl 7a_100000210172_100000230114 [0,2,0,0,0,0|2,0,0]=4 21715 B17R2.41893 Fc1cccc(c1)COc2ccccc2F 34a_100000210171_100000187166 [0,2,0,0,0,0|2,0,0]=4 21716 B17R2.41893 Fc1cccc(c1)COc2ccccc2F 7a_100000210171_100000230114 [0,2,0,0,0,0|2,0,0]=4 21717 B17R2.41893 Fc1cccc(c1)COc2ccccc2I 34a_100000739446_100000187166 [0,2,0,0,0,0|2,0,0]=4 21718 B17R2.41893 Fc1cccc(c1)COc2ccccc2I 7a_100000739446_100000230114 [0,2,0,0,0,0|2,0,0]=4 21719 B17R2.41893 Fc1cccc(c1)COc2cccnc2Br 34a_100000744436_100000187166 [0,2,0,0,0,0|2,0,0]=4 21720 B17R2.41893 Fc1cccc(c1)COc2cccnc2Br 7a_100000744436_100000230114 [0,2,0,0,0,0|2,0,0]=4 21721 B17R2.41893 Fc1cccc(c1)COc2cccnc2Cl 34a_100000757616_100000187166 [0,2,0,0,0,0|2,0,0]=4 21722 B17R2.41893 Fc1cccc(c1)COc2cccnc2Cl 7a_100000757616_100000230114 [0,2,0,0,0,0|2,0,0]=4 21723 B17R2.41893 Fc1cccc(c1)COc2cccnc2F 34a_100000061740_100000187166 [0,2,0,0,0,0|2,0,0]=4 21724 B17R2.41893 Fc1cccc(c1)COc2cccnc2F 7a_100000061740_100000230114 [0,2,0,0,0,0|2,0,0]=4 21725 B17R2.41893 Fc1cccc(c1)COc2cccnc2I 34a_100000034122_100000187166 [0,2,0,0,0,0|2,0,0]=4 21726 B17R2.41893 Fc1cccc(c1)COc2cccnc2I 7a_100000034122_100000230114 [0,2,0,0,0,0|2,0,0]=4 21727 B17R2.41893 Fc1cccc(c1)COc2cnccc2Cl 34a_100011996695_100000187166 [0,2,0,0,0,0|2,0,0]=4 21728 B17R2.41893 Fc1cccc(c1)COc2cnccc2I 34a_100000050107_100000187166 [0,2,0,0,0,0|2,0,0]=4 21729 B17R2.41893 Fc1cccc(c1)CSc2ccccc2Br 62a_100000230114_100000695589 [0,2,0,0,0,0|2,0,0]=4 21730 B17R2.41893 Fc1cccc(c1)CSc2ccccc2Br 62a_100000695589_100000230114 [0,2,0,0,0,0|2,0,0]=4 21731 B17R2.41893 Fc1cccc(c1)CSc2ccccc2Cl 62a_100000230114_100000764095 [0,2,0,0,0,0|2,0,0]=4 21732 B17R2.41893 Fc1cccc(c1)CSc2ccccc2Cl 62a_100000764095_100000230114 [0,2,0,0,0,0|2,0,0]=4 21733 B17R2.41893 Fc1cccc(c1)CSc2ccccc2F 62a_100000230114_100011215700 [0,2,0,0,0,0|2,0,0]=4 21734 B17R2.41893 Fc1cccc(c1)CSc2ccccc2F 62a_100011215700_100000230114 [0,2,0,0,0,0|2,0,0]=4 21735 B17R2.41893 Fc1cccc(c1)CSc2cccnc2Br 62a_100000230114_100010202626 [0,2,0,0,0,0|2,0,0]=4 21736 B17R2.41893 Fc1cccc(c1)CSc2cccnc2Br 62a_100010202626_100000230114 [0,2,0,0,0,0|2,0,0]=4 21737 B17R2.41893 Fc1cccc(c1)CSc2cccnc2Cl 62a_100000036424_100000230114 [0,2,0,0,0,0|2,0,0]=4 21738 B17R2.41893 Fc1cccc(c1)CSc2cccnc2Cl 62a_100000230114_100000036424 [0,2,0,0,0,0|2,0,0]=4 21739 B17R2.41893 Fc1cccc(c1)CSc2cccnc2F 62a_100000230114_100009816115 [0,2,0,0,0,0|2,0,0]=4 21740 B17R2.41893 Fc1cccc(c1)CSc2cccnc2F 62a_100009816115_100000230114 [0,2,0,0,0,0|2,0,0]=4 21741 B17R2.41893 Fc1cccc(c1)CSc2cnccc2Br 62a_100000230114_100010138639 [0,2,0,0,0,0|2,0,0]=4 21742 B17R2.41893 Fc1cccc(c1)CSc2cnccc2Br 62a_100010138639_100000230114 [0,2,0,0,0,0|2,0,0]=4 21743 B17R2.41893 Fc1cccc(c1)CSc2cnccc2Cl 62a_100000230114_100009995489 [0,2,0,0,0,0|2,0,0]=4 21744 B17R2.41893 Fc1cccc(c1)CSc2cnccc2Cl 62a_100009995489_100000230114 [0,2,0,0,0,0|2,0,0]=4 21745 B17R2.41893 Fc1cccc(c1)CSc2cnccc2F 62a_100000230114_100009820683 [0,2,0,0,0,0|2,0,0]=4 21746 B17R2.41893 Fc1cccc(c1)CSc2cnccc2F 62a_100009820683_100000230114 [0,2,0,0,0,0|2,0,0]=4 21747 B17R2.41893 Fc1cccc(c1)NCc2ccccc2Br 207a_100000210047_100000211189 [0,2,0,0,0,0|1,0,0]=3 21748 B17R2.41893 Fc1cccc(c1)NCc2ccccc2Br 270302a_100000210047_100000211189 [0,2,0,0,0,0|1,0,0]=3 21749 B17R2.41893 Fc1cccc(c1)NCc2ccccc2Br 34a_100000210047_100000184730 [0,2,0,0,0,0|1,0,0]=3 21750 B17R2.41893 Fc1cccc(c1)NCc2ccccc2Cl 207a_100000210047_100000210073 [0,2,0,0,0,0|1,0,0]=3 21751 B17R2.41893 Fc1cccc(c1)NCc2ccccc2Cl 270302a_100000210047_100000210073 [0,2,0,0,0,0|1,0,0]=3 21752 B17R2.41893 Fc1cccc(c1)NCc2ccccc2Cl 34a_100000210047_100000187162 [0,2,0,0,0,0|1,0,0]=3 21753 B17R2.41893 Fc1cccc(c1)NCc2ccccc2F 207a_100000210047_100000210811 [0,2,0,0,0,0|1,0,0]=3 21754 B17R2.41893 Fc1cccc(c1)NCc2ccccc2F 270302a_100000210047_100000210811 [0,2,0,0,0,0|1,0,0]=3 21755 B17R2.41893 Fc1cccc(c1)NCc2ccccc2F 34a_100000210047_100000211605 [0,2,0,0,0,0|1,0,0]=3 21756 B17R2.41893 Fc1cccc(c1)NCc2ccccc2I 207a_100000210047_100000010305 [0,2,0,0,0,0|1,0,0]=3 21757 B17R2.41893 Fc1cccc(c1)NCc2ccccc2I 34a_100000210047_100011215278 [0,2,0,0,0,0|1,0,0]=3 21758 B17R2.41893 Fc1cccc(c1)NCc2cccnc2Br 34a_100000210047_100010140945 [0,2,0,0,0,0|0,0,0]=2 21759 B17R2.41893 Fc1cccc(c1)NCc2cccnc2Cl 34a_100000210047_100000045678 [0,2,0,0,0,0|0,0,0]=2 21760 B17R2.41893 Fc1cccc(c1)NCc2cccnc2F 34a_100000210047_100000099810 [0,2,0,0,0,0|0,0,0]=2 21761 B17R2.41893 Fc1cccc(c1)NCc2ccncc2Cl 207a_100000210047_100011934409 [0,2,0,0,0,0|2,0,0]=4 21762 B17R2.41893 Fc1cccc(c1)NCc2ncccc2Br 207a_100000210047_100011934733 [0,2,0,0,0,0|2,0,0]=4 21763 B17R2.41893 Fc1cccc(c1)NCc2ncccc2Br 34a_100000210047_100025702911 [0,2,0,0,0,0|2,0,0]=4 21764 B17R2.41893 Fc1cccc(c1)NCc2ncccc2Cl 207a_100000210047_100012001307 [0,2,0,0,0,0|2,0,0]=4 21765 B17R2.41893 Fc1cccc(c1)NCc2ncccc2F 207a_100000210047_100011934734 [0,2,0,0,0,0|2,0,0]=4 21766 B17R2.41893 Fc1cccc(c1)NCc2ncccc2F 34a_100000210047_100000104219 [0,2,0,0,0,0|2,0,0]=4 21767 B17R2.41893 Fc1cccc(c1)OCc2ccccc2Br 34a_100000210426_100000184730 [0,2,0,0,0,0|2,0,0]=4 21768 B17R2.41893 Fc1cccc(c1)OCc2ccccc2Br 7a_100000210426_100000184730 [0,2,0,0,0,0|2,0,0]=4 21769 B17R2.41893 Fc1cccc(c1)OCc2ccccc2Cl 34a_100000210426_100000187162 [0,2,0,0,0,0|2,0,0]=4 21770 B17R2.41893 Fc1cccc(c1)OCc2ccccc2Cl 7a_100000210426_100000187162 [0,2,0,0,0,0|2,0,0]=4 21771 B17R2.41893 Fc1cccc(c1)OCc2ccccc2F 34a_100000210426_100000211605 [0,2,0,0,0,0|2,0,0]=4 21772 B17R2.41893 Fc1cccc(c1)OCc2ccccc2F 7a_100000210426_100000211605 [0,2,0,0,0,0|2,0,0]=4 21773 B17R2.41893 Fc1cccc(c1)OCc2ccccc2I 34a_100000210426_100011215278 [0,2,0,0,0,0|2,0,0]=4 21774 B17R2.41893 Fc1cccc(c1)OCc2ccccc2I 7a_100000210426_100011215278 [0,2,0,0,0,0|2,0,0]=4 21775 B17R2.41893 Fc1cccc(c1)OCc2cccnc2Br 34a_100000210426_100010140945 [0,2,0,0,0,0|1,0,0]=3 21776 B17R2.41893 Fc1cccc(c1)OCc2cccnc2Br 7a_100000210426_100010140945 [0,2,0,0,0,0|1,0,0]=3 21777 B17R2.41893 Fc1cccc(c1)OCc2cccnc2Cl 34a_100000210426_100000045678 [0,2,0,0,0,0|1,0,0]=3 21778 B17R2.41893 Fc1cccc(c1)OCc2cccnc2Cl 7a_100000210426_100000045678 [0,2,0,0,0,0|1,0,0]=3 21779 B17R2.41893 Fc1cccc(c1)OCc2cccnc2F 34a_100000210426_100000099810 [0,2,0,0,0,0|1,0,0]=3 21780 B17R2.41893 Fc1cccc(c1)OCc2cccnc2F 7a_100000210426_100000099810 [0,2,0,0,0,0|1,0,0]=3 21781 B17R2.41893 Fc1cccc(c1)SCc2ccccc2Br 62a_100000184730_100000685547 [0,2,0,0,0,0|2,0,0]=4 21782 B17R2.41893 Fc1cccc(c1)SCc2ccccc2Br 62a_100000685547_100000184730 [0,2,0,0,0,0|2,0,0]=4 21783 B17R2.41893 Fc1cccc(c1)SCc2ccccc2Cl 62a_100000187162_100000685547 [0,2,0,0,0,0|2,0,0]=4 21784 B17R2.41893 Fc1cccc(c1)SCc2ccccc2Cl 62a_100000685547_100000187162 [0,2,0,0,0,0|2,0,0]=4 21785 B17R2.41893 Fc1cccc(c1)SCc2ccccc2F 62a_100000211605_100000685547 [0,2,0,0,0,0|2,0,0]=4 21786 B17R2.41893 Fc1cccc(c1)SCc2ccccc2F 62a_100000685547_100000211605 [0,2,0,0,0,0|2,0,0]=4 21787 B17R2.41893 Fc1cccc(c1)SCc2ccccc2I 62a_100000685547_100011216222 [0,2,0,0,0,0|2,0,0]=4 21788 B17R2.41893 Fc1cccc(c1)SCc2ccccc2I 62a_100011216222_100000685547 [0,2,0,0,0,0|2,0,0]=4 21789 B17R2.41893 Fc1cccc(c1)SCc2cccnc2Br 62a_100000685547_100010140945 [0,2,0,0,0,0|1,0,0]=3 21790 B17R2.41893 Fc1cccc(c1)SCc2cccnc2Br 62a_100010140945_100000685547 [0,2,0,0,0,0|1,0,0]=3 21791 B17R2.41893 Fc1cccc(c1)SCc2cccnc2Cl 62a_100000045678_100000685547 [0,2,0,0,0,0|1,0,0]=3 21792 B17R2.41893 Fc1cccc(c1)SCc2cccnc2Cl 62a_100000685547_100000045678 [0,2,0,0,0,0|1,0,0]=3 21793 B17R2.41893 Fc1cccc(c1)SCc2cccnc2F 62a_100000099810_100000685547 [0,2,0,0,0,0|1,0,0]=3 21794 B17R2.41893 Fc1cccc(c1)SCc2cccnc2F 62a_100000685547_100000099810 [0,2,0,0,0,0|1,0,0]=3 21795 B17R2.41893 Fc1cccc(n1)CNc2ccccc2Br 34a_100000210017_100009819644 [0,2,0,0,0,0|2,0,0]=4 21796 B17R2.41893 Fc1cccc(n1)CNc2ccccc2Cl 34a_100000185783_100009819644 [0,2,0,0,0,0|2,0,0]=4 21797 B17R2.41893 Fc1cccc(n1)CNc2ccccc2F 34a_100000210422_100009819644 [0,2,0,0,0,0|2,0,0]=4 21798 B17R2.41893 Fc1cccc(n1)CNc2ccccc2I 34a_100000210053_100009819644 [0,2,0,0,0,0|2,0,0]=4 21799 B17R2.41893 Fc1cccc(n1)NCc2ccccc2Br 27a_100000689332_100009815982 [0,2,0,0,0,0|2,0,0]=4 21800 B17R2.41893 Fc1cccc(n1)NCc2ccccc2Cl 27a_100000174879_100009815982 [0,2,0,0,0,0|2,0,0]=4 21801 B17R2.41893 Fc1cccc(n1)NCc2ccccc2F 27a_100000174869_100009815982 [0,2,0,0,0,0|2,0,0]=4 21802 B17R2.41893 Fc1cccc(n1)NCc2ccccc2I 27a_100015347259_100009815982 [0,2,0,0,0,0|2,0,0]=4 21803 B17R2.41893 Fc1cccc(n1)NCc2cccnc2Br 27a_100009818023_100009815982 [0,2,0,0,0,0|1,0,0]=3 21804 B17R2.41893 Fc1cccc(n1)NCc2cccnc2Cl 27a_100015189234_100009815982 [0,2,0,0,0,0|1,0,0]=3 21805 B17R2.41893 Fc1cccc(n1)NCc2cccnc2F 27a_100000724633_100009815982 [0,2,0,0,0,0|1,0,0]=3 21806 B17R2.41893 Fc1cccc(n1)NCc2nccnc2Cl 27a_100000729963_100009815982 [0,2,0,0,0,0|2,0,0]=4 21807 B17R2.41893 Fc1cccc(n1)OCc2cccnc2Br 34a_100011432558_100010140945 [0,2,0,0,0,0|2,0,0]=4 21808 B17R2.41893 Fc1cccc(n1)OCc2cccnc2Cl 34a_100011432558_100000045678 [0,2,0,0,0,0|2,0,0]=4 21809 B17R2.41893 Fc1cccc(n1)OCc2cccnc2F 34a_100011432558_100000099810 [0,2,0,0,0,0|2,0,0]=4 21810 B17R2.41893 Fc1cccc(n1)SCc2cccnc2Br 62a_100009815982_100010140945 [0,2,0,0,0,0|2,0,0]=4 21811 B17R2.41893 Fc1cccc(n1)SCc2cccnc2Br 62a_100010140945_100009815982 [0,2,0,0,0,0|2,0,0]=4 21812 B17R2.41893 Fc1cccc(n1)SCc2cccnc2Cl 62a_100000045678_100009815982 [0,2,0,0,0,0|2,0,0]=4 21813 B17R2.41893 Fc1cccc(n1)SCc2cccnc2Cl 62a_100009815982_100000045678 [0,2,0,0,0,0|2,0,0]=4 21814 B17R2.41893 Fc1cccc(n1)SCc2cccnc2F 62a_100000099810_100009815982 [0,2,0,0,0,0|2,0,0]=4 21815 B17R2.41893 Fc1cccc(n1)SCc2cccnc2F 62a_100009815982_100000099810 [0,2,0,0,0,0|2,0,0]=4 21816 B17R2.41893 Fc1ccccc1C=Cc2cncc(c2)Br 271570a_200102527919_100000728054 [0,2,0,0,0,0|1,0,1]=4 21817 B17R2.41893 Fc1ccccc1C=Cc2cncc(c2)Cl 271570a_200102527919_100000049639 [0,2,0,0,0,0|1,0,1]=4 21818 B17R2.41893 Fc1ccccc1CNc2cccc(c2)Br 207a_100000210019_100000210811 [0,2,0,0,0,0|1,0,0]=3 21819 B17R2.41893 Fc1ccccc1CNc2cccc(c2)Br 270302a_100000210019_100000210811 [0,2,0,0,0,0|1,0,0]=3 21820 B17R2.41893 Fc1ccccc1CNc2cccc(c2)Br 34a_100000210019_100000211605 [0,2,0,0,0,0|1,0,0]=3 21821 B17R2.41893 Fc1ccccc1CNc2cccc(c2)Cl 207a_100000185859_100000210811 [0,2,0,0,0,0|1,0,0]=3 21822 B17R2.41893 Fc1ccccc1CNc2cccc(c2)Cl 270302a_100000185859_100000210811 [0,2,0,0,0,0|1,0,0]=3 21823 B17R2.41893 Fc1ccccc1CNc2cccc(c2)Cl 34a_100000185859_100000211605 [0,2,0,0,0,0|1,0,0]=3 21824 B17R2.41893 Fc1ccccc1CNc2cccc(c2)I 207a_100000211102_100000210811 [0,2,0,0,0,0|1,0,0]=3 21825 B17R2.41893 Fc1ccccc1CNc2cccc(c2)I 270302a_100000211102_100000210811 [0,2,0,0,0,0|1,0,0]=3 21826 B17R2.41893 Fc1ccccc1CNc2cccc(c2)I 34a_100000211102_100000211605 [0,2,0,0,0,0|1,0,0]=3 21827 B17R2.41893 Fc1ccccc1COc2cccc(c2)Br 34a_100000210342_100000211605 [0,2,0,0,0,0|2,0,0]=4 21828 B17R2.41893 Fc1ccccc1COc2cccc(c2)Br 7a_100000210342_100000211605 [0,2,0,0,0,0|2,0,0]=4 21829 B17R2.41893 Fc1ccccc1COc2cccc(c2)Cl 34a_100000210295_100000211605 [0,2,0,0,0,0|2,0,0]=4 21830 B17R2.41893 Fc1ccccc1COc2cccc(c2)Cl 7a_100000210295_100000211605 [0,2,0,0,0,0|2,0,0]=4 21831 B17R2.41893 Fc1ccccc1COc2cccc(c2)I 34a_100000211634_100000211605 [0,2,0,0,0,0|2,0,0]=4 21832 B17R2.41893 Fc1ccccc1COc2cccc(c2)I 7a_100000211634_100000211605 [0,2,0,0,0,0|2,0,0]=4 21833 B17R2.41893 Fc1ccccc1COc2cncc(c2)Br 34a_100000754920_100000211605 [0,2,0,0,0,0|2,0,0]=4 21834 B17R2.41893 Fc1ccccc1COc2cncc(c2)Br 7a_100000754920_100000211605 [0,2,0,0,0,0|2,0,0]=4 21835 B17R2.41893 Fc1ccccc1COc2cncc(c2)Cl 7a_100000032511_100000211605 [0,2,0,0,0,0|2,0,0]=4 21836 B17R2.41893 Fc1ccccc1CSc2cccc(c2)Br 62a_100000211605_100000691529 [0,2,0,0,0,0|2,0,0]=4 21837 B17R2.41893 Fc1ccccc1CSc2cccc(c2)Br 62a_100000691529_100000211605 [0,2,0,0,0,0|2,0,0]=4 21838 B17R2.41893 Fc1ccccc1CSc2cccc(c2)Cl 62a_100000211605_100000699651 [0,2,0,0,0,0|2,0,0]=4 21839 B17R2.41893 Fc1ccccc1CSc2cccc(c2)Cl 62a_100000699651_100000211605 [0,2,0,0,0,0|2,0,0]=4 21840 B17R2.41893 Fc1ccccc1CSc2cccc(c2)[S] 62a_100000211605_114929384022 [0,2,0,0,0,0|2,0,0]=4 21841 B17R2.41893 Fc1ccccc1CSc2cccc(c2)[S] 62a_114929384022_100000211605 [0,2,0,0,0,0|2,0,0]=4 21842 B17R2.41893 Fc1ccccc1CSc2cncc(c2)Br 62a_100000211605_100000728054 [0,2,0,0,0,0|2,0,0]=4 21843 B17R2.41893 Fc1ccccc1CSc2cncc(c2)Br 62a_100000728054_100000211605 [0,2,0,0,0,0|2,0,0]=4 21844 B17R2.41893 Fc1ccccc1CSc2cncc(c2)Cl 62a_100000049639_100000211605 [0,2,0,0,0,0|2,0,0]=4 21845 B17R2.41893 Fc1ccccc1CSc2cncc(c2)Cl 62a_100000211605_100000049639 [0,2,0,0,0,0|2,0,0]=4 21846 B17R2.41893 Fc1ccccc1NCc2cc(ccn2)Br 34a_100000210422_100010173614 [0,2,0,0,0,0|2,0,0]=4 21847 B17R2.41893 Fc1ccccc1NCc2cc(ccn2)Cl 34a_100000210422_100016988179 [0,2,0,0,0,0|2,0,0]=4 21848 B17R2.41893 Fc1ccccc1NCc2cccc(c2)Br 207a_100000210422_100000210085 [0,2,0,0,0,0|1,0,0]=3 21849 B17R2.41893 Fc1ccccc1NCc2cccc(c2)Br 34a_100000210422_100000698116 [0,2,0,0,0,0|1,0,0]=3 21850 B17R2.41893 Fc1ccccc1NCc2cccc(c2)Cl 207a_100000210422_100000210801 [0,2,0,0,0,0|1,0,0]=3 21851 B17R2.41893 Fc1ccccc1NCc2cccc(c2)Cl 34a_100000210422_100000187163 [0,2,0,0,0,0|1,0,0]=3 21852 B17R2.41893 Fc1ccccc1NCc2cccc(c2)I 207a_100000210422_100000014684 [0,2,0,0,0,0|1,0,0]=3 21853 B17R2.41893 Fc1ccccc1NCc2cccc(c2)I 34a_100000210422_100011218688 [0,2,0,0,0,0|1,0,0]=3 21854 B17R2.41893 Fc1ccccc1NCc2cccc(n2)Br 34a_100000210422_100009889011 [0,2,0,0,0,0|2,0,0]=4 21855 B17R2.41893 Fc1ccccc1NCc2cccc(n2)Cl 34a_100000210422_100000086093 [0,2,0,0,0,0|2,0,0]=4 21856 B17R2.41893 Fc1ccccc1NCc2ccnc(c2)Br 34a_100000210422_100010243470 [0,2,0,0,0,0|2,0,0]=4 21857 B17R2.41893 Fc1ccccc1NCc2ccnc(c2)Cl 34a_100000210422_100000764220 [0,2,0,0,0,0|2,0,0]=4 21858 B17R2.41893 Fc1ccccc1NCc2cncc(c2)Br 207a_100000210422_100000687066 [0,2,0,0,0,0|0,0,0]=2 21859 B17R2.41893 Fc1ccccc1NCc2cncc(c2)Br 34a_100000210422_100000738771 [0,2,0,0,0,0|0,0,0]=2 21860 B17R2.41893 Fc1ccccc1NCc2cncc(c2)Cl 207a_100000210422_100000088910 [0,2,0,0,0,0|0,0,0]=2 21861 B17R2.41893 Fc1ccccc1NCc2cncc(c2)Cl 34a_100000210422_100016992070 [0,2,0,0,0,0|0,0,0]=2 21862 B17R2.41893 Fc1ccccc1OCc2cccc(c2)Br 34a_100000210171_100000698116 [0,2,0,0,0,0|2,0,0]=4 21863 B17R2.41893 Fc1ccccc1OCc2cccc(c2)Br 7a_100000210171_100000211773 [0,2,0,0,0,0|2,0,0]=4 21864 B17R2.41893 Fc1ccccc1OCc2cccc(c2)Cl 34a_100000210171_100000187163 [0,2,0,0,0,0|2,0,0]=4 21865 B17R2.41893 Fc1ccccc1OCc2cccc(c2)Cl 7a_100000210171_100000187163 [0,2,0,0,0,0|2,0,0]=4 21866 B17R2.41893 Fc1ccccc1OCc2cccc(c2)I 34a_100000210171_100011218688 [0,2,0,0,0,0|2,0,0]=4 21867 B17R2.41893 Fc1ccccc1OCc2cccc(c2)I 7a_100000210171_100011218688 [0,2,0,0,0,0|2,0,0]=4 21868 B17R2.41893 Fc1ccccc1OCc2cncc(c2)Br 34a_100000210171_100000738771 [0,2,0,0,0,0|1,0,0]=3 21869 B17R2.41893 Fc1ccccc1OCc2cncc(c2)Br 7a_100000210171_100000738771 [0,2,0,0,0,0|1,0,0]=3 21870 B17R2.41893 Fc1ccccc1OCc2cncc(c2)Cl 34a_100000210171_100016992070 [0,2,0,0,0,0|1,0,0]=3 21871 B17R2.41893 Fc1ccccc1OCc2cncc(c2)Cl 7a_100000210171_100016992070 [0,2,0,0,0,0|1,0,0]=3 21872 B17R2.41893 Fc1ccccc1SCc2cccc(c2)Br 62a_100000211773_100011215700 [0,2,0,0,0,0|2,0,0]=4 21873 B17R2.41893 Fc1ccccc1SCc2cccc(c2)Br 62a_100011215700_100000211773 [0,2,0,0,0,0|2,0,0]=4 21874 B17R2.41893 Fc1ccccc1SCc2cccc(c2)Cl 62a_100000187163_100011215700 [0,2,0,0,0,0|2,0,0]=4 21875 B17R2.41893 Fc1ccccc1SCc2cccc(c2)Cl 62a_100011215700_100000187163 [0,2,0,0,0,0|2,0,0]=4 21876 B17R2.41893 Fc1ccccc1SCc2cccc(c2)I 62a_100011215700_100011218688 [0,2,0,0,0,0|2,0,0]=4 21877 B17R2.41893 Fc1ccccc1SCc2cccc(c2)I 62a_100011218688_100011215700 [0,2,0,0,0,0|2,0,0]=4 21878 B17R2.41893 Fc1ccccc1SCc2cncc(c2)Br 62a_100000738771_100011215700 [0,2,0,0,0,0|1,0,0]=3 21879 B17R2.41893 Fc1ccccc1SCc2cncc(c2)Br 62a_100011215700_100000738771 [0,2,0,0,0,0|1,0,0]=3 21880 B17R2.41893 Fc1ccccc1SCc2cncc(c2)Cl 62a_100011215700_100016992070 [0,2,0,0,0,0|1,0,0]=3 21881 B17R2.41893 Fc1ccccc1SCc2cncc(c2)Cl 62a_100016992070_100011215700 [0,2,0,0,0,0|1,0,0]=3 21882 B17R2.41893 Fc1cccnc1CNc2cccc(c2)Br 207a_100000210019_100011934734 [0,2,0,0,0,0|2,0,0]=4 21883 B17R2.41893 Fc1cccnc1CNc2cccc(c2)Br 34a_100000210019_100000104219 [0,2,0,0,0,0|2,0,0]=4 21884 B17R2.41893 Fc1cccnc1CNc2cccc(c2)Cl 207a_100000185859_100011934734 [0,2,0,0,0,0|2,0,0]=4 21885 B17R2.41893 Fc1cccnc1CNc2cccc(c2)Cl 34a_100000185859_100000104219 [0,2,0,0,0,0|2,0,0]=4 21886 B17R2.41893 Fc1cccnc1CNc2cccc(c2)I 207a_100000211102_100011934734 [0,2,0,0,0,0|2,0,0]=4 21887 B17R2.41893 Fc1cccnc1CNc2cccc(c2)I 34a_100000211102_100000104219 [0,2,0,0,0,0|2,0,0]=4 21888 B17R2.41893 Fc1cccnc1OCc2cncc(c2)Br 34a_100011219419_100000738771 [0,2,0,0,0,0|2,0,0]=4 21889 B17R2.41893 Fc1cccnc1OCc2cncc(c2)Cl 34a_100011219419_100016992070 [0,2,0,0,0,0|2,0,0]=4 21890 B17R2.41893 Fc1cccnc1SCc2cncc(c2)Br 62a_100000685392_100000738771 [0,2,0,0,0,0|2,0,0]=4 21891 B17R2.41893 Fc1cccnc1SCc2cncc(c2)Br 62a_100000738771_100000685392 [0,2,0,0,0,0|2,0,0]=4 21892 B17R2.41893 Fc1cccnc1SCc2cncc(c2)Cl 62a_100000685392_100016992070 [0,2,0,0,0,0|2,0,0]=4 21893 B17R2.41893 Fc1cccnc1SCc2cncc(c2)Cl 62a_100016992070_100000685392 [0,2,0,0,0,0|2,0,0]=4 21894 B17R2.41893 Fc1ccnc(c1)NCc2ccccc2Br 27a_100000689332_100000764206 [0,2,0,0,0,0|2,0,0]=4 21895 B17R2.41893 Fc1ccnc(c1)NCc2ccccc2Cl 27a_100000174879_100000764206 [0,2,0,0,0,0|2,0,0]=4 21896 B17R2.41893 Fc1ccnc(c1)NCc2ccccc2F 27a_100000174869_100000764206 [0,2,0,0,0,0|2,0,0]=4 21897 B17R2.41893 Fc1ccnc(c1)NCc2ccccc2I 27a_100015347259_100000764206 [0,2,0,0,0,0|2,0,0]=4 21898 B17R2.41893 Fc1ccnc(c1)NCc2cccnc2Br 27a_100009818023_100000764206 [0,2,0,0,0,0|1,0,0]=3 21899 B17R2.41893 Fc1ccnc(c1)NCc2cccnc2Cl 27a_100015189234_100000764206 [0,2,0,0,0,0|1,0,0]=3 21900 B17R2.41893 Fc1ccnc(c1)NCc2cccnc2F 27a_100000724633_100000764206 [0,2,0,0,0,0|1,0,0]=3 21901 B17R2.41893 Fc1ccnc(c1)NCc2nccnc2Cl 27a_100000729963_100000764206 [0,2,0,0,0,0|2,0,0]=4 21902 B17R2.41893 Fc1ccnc(c1)SCc2cccnc2Br 62a_100000764206_100010140945 [0,2,0,0,0,0|2,0,0]=4 21903 B17R2.41893 Fc1ccnc(c1)SCc2cccnc2Br 62a_100010140945_100000764206 [0,2,0,0,0,0|2,0,0]=4 21904 B17R2.41893 Fc1ccnc(c1)SCc2cccnc2Cl 62a_100000045678_100000764206 [0,2,0,0,0,0|2,0,0]=4 21905 B17R2.41893 Fc1ccnc(c1)SCc2cccnc2Cl 62a_100000764206_100000045678 [0,2,0,0,0,0|2,0,0]=4 21906 B17R2.41893 Fc1ccnc(c1)SCc2cccnc2F 62a_100000099810_100000764206 [0,2,0,0,0,0|2,0,0]=4 21907 B17R2.41893 Fc1ccnc(c1)SCc2cccnc2F 62a_100000764206_100000099810 [0,2,0,0,0,0|2,0,0]=4 21908 B17R2.41893 Fc1ccncc1C=Cc2cccc(c2)Cl 271570a_100102525933_100009820683 [0,2,0,0,0,0|1,0,1]=4 21909 B17R2.41893 Fc1ccncc1SCc2cccc(c2)Br 62a_100000211773_100009820683 [0,2,0,0,0,0|2,0,0]=4 21910 B17R2.41893 Fc1ccncc1SCc2cccc(c2)Br 62a_100009820683_100000211773 [0,2,0,0,0,0|2,0,0]=4 21911 B17R2.41893 Fc1ccncc1SCc2cccc(c2)Cl 62a_100000187163_100009820683 [0,2,0,0,0,0|2,0,0]=4 21912 B17R2.41893 Fc1ccncc1SCc2cccc(c2)Cl 62a_100009820683_100000187163 [0,2,0,0,0,0|2,0,0]=4 21913 B17R2.41893 Fc1ccncc1SCc2cccc(c2)I 62a_100009820683_100011218688 [0,2,0,0,0,0|2,0,0]=4 21914 B17R2.41893 Fc1ccncc1SCc2cccc(c2)I 62a_100011218688_100009820683 [0,2,0,0,0,0|2,0,0]=4 21915 B17R2.41893 Fc1ccncc1SCc2cncc(c2)Br 62a_100000738771_100009820683 [0,2,0,0,0,0|2,0,0]=4 21916 B17R2.41893 Fc1ccncc1SCc2cncc(c2)Br 62a_100009820683_100000738771 [0,2,0,0,0,0|2,0,0]=4 21917 B17R2.41893 Fc1ccncc1SCc2cncc(c2)Cl 62a_100009820683_100016992070 [0,2,0,0,0,0|2,0,0]=4 21918 B17R2.41893 Fc1ccncc1SCc2cncc(c2)Cl 62a_100016992070_100009820683 [0,2,0,0,0,0|2,0,0]=4 21919 B17R2.41893 Fc1cncc(c1)C=Cc2ccccc2F 271570a_200102527919_100000744099 [0,2,0,0,0,0|1,0,1]=4 21920 B17R2.41893 Fc1cncc(c1)CNc2ccccc2Br 207a_100000210017_100011361476 [0,2,0,0,0,0|0,0,0]=2 21921 B17R2.41893 Fc1cncc(c1)CNc2ccccc2Br 34a_100000210017_100000725299 [0,2,0,0,0,0|0,0,0]=2 21922 B17R2.41893 Fc1cncc(c1)CNc2ccccc2Cl 207a_100000185783_100011361476 [0,2,0,0,0,0|0,0,0]=2 21923 B17R2.41893 Fc1cncc(c1)CNc2ccccc2Cl 34a_100000185783_100000725299 [0,2,0,0,0,0|0,0,0]=2 21924 B17R2.41893 Fc1cncc(c1)CNc2ccccc2F 207a_100000210422_100011361476 [0,2,0,0,0,0|0,0,0]=2 21925 B17R2.41893 Fc1cncc(c1)CNc2ccccc2F 34a_100000210422_100000725299 [0,2,0,0,0,0|0,0,0]=2 21926 B17R2.41893 Fc1cncc(c1)CNc2ccccc2I 207a_100000210053_100011361476 [0,2,0,0,0,0|0,0,0]=2 21927 B17R2.41893 Fc1cncc(c1)CNc2ccccc2I 34a_100000210053_100000725299 [0,2,0,0,0,0|0,0,0]=2 21928 B17R2.41893 Fc1cncc(c1)CNc2ccncc2Br 27a_100011962886_100000726257 [0,2,0,0,0,0|1,0,0]=3 21929 B17R2.41893 Fc1cncc(c1)CNc2ccncc2F 27a_100011962886_100000035921 [0,2,0,0,0,0|1,0,0]=3 21930 B17R2.41893 Fc1cncc(c1)CNc2ncccc2Br 27a_100011962886_100000696092 [0,2,0,0,0,0|1,0,0]=3 21931 B17R2.41893 Fc1cncc(c1)CNc2nccnc2F 27a_100011962886_200010125657 [0,2,0,0,0,0|2,0,0]=4 21932 B17R2.41893 Fc1cncc(c1)CNc2ncncc2F 27a_100011962886_100000069762 [0,2,0,0,0,0|2,0,0]=4 21933 B17R2.41893 Fc1cncc(c1)COc2ccccc2Br 34a_100000181306_100000725299 [0,2,0,0,0,0|1,0,0]=3 21934 B17R2.41893 Fc1cncc(c1)COc2ccccc2Br 7a_100000181306_100000725299 [0,2,0,0,0,0|1,0,0]=3 21935 B17R2.41893 Fc1cncc(c1)COc2ccccc2Cl 34a_100000210172_100000725299 [0,2,0,0,0,0|1,0,0]=3 21936 B17R2.41893 Fc1cncc(c1)COc2ccccc2Cl 7a_100000210172_100000725299 [0,2,0,0,0,0|1,0,0]=3 21937 B17R2.41893 Fc1cncc(c1)COc2ccccc2F 34a_100000210171_100000725299 [0,2,0,0,0,0|1,0,0]=3 21938 B17R2.41893 Fc1cncc(c1)COc2ccccc2F 7a_100000210171_100000725299 [0,2,0,0,0,0|1,0,0]=3 21939 B17R2.41893 Fc1cncc(c1)COc2ccccc2I 34a_100000739446_100000725299 [0,2,0,0,0,0|1,0,0]=3 21940 B17R2.41893 Fc1cncc(c1)COc2ccccc2I 7a_100000739446_100000725299 [0,2,0,0,0,0|1,0,0]=3 21941 B17R2.41893 Fc1cncc(c1)COc2cccnc2Br 34a_100000744436_100000725299 [0,2,0,0,0,0|2,0,0]=4 21942 B17R2.41893 Fc1cncc(c1)COc2cccnc2Br 7a_100000744436_100000725299 [0,2,0,0,0,0|2,0,0]=4 21943 B17R2.41893 Fc1cncc(c1)COc2cccnc2Cl 34a_100000757616_100000725299 [0,2,0,0,0,0|2,0,0]=4 21944 B17R2.41893 Fc1cncc(c1)COc2cccnc2Cl 7a_100000757616_100000725299 [0,2,0,0,0,0|2,0,0]=4 21945 B17R2.41893 Fc1cncc(c1)COc2cccnc2F 34a_100000061740_100000725299 [0,2,0,0,0,0|2,0,0]=4 21946 B17R2.41893 Fc1cncc(c1)COc2cccnc2F 7a_100000061740_100000725299 [0,2,0,0,0,0|2,0,0]=4 21947 B17R2.41893 Fc1cncc(c1)COc2cccnc2I 34a_100000034122_100000725299 [0,2,0,0,0,0|2,0,0]=4 21948 B17R2.41893 Fc1cncc(c1)COc2cccnc2I 7a_100000034122_100000725299 [0,2,0,0,0,0|2,0,0]=4 21949 B17R2.41893 Fc1cncc(c1)COc2ccncc2Br 34a_100011996408_100000725299 [0,2,0,0,0,0|2,0,0]=4 21950 B17R2.41893 Fc1cncc(c1)COc2ccncc2Cl 34a_100011997054_100000725299 [0,2,0,0,0,0|2,0,0]=4 21951 B17R2.41893 Fc1cncc(c1)COc2ccncc2F 34a_200000081243_100000725299 [0,2,0,0,0,0|2,0,0]=4 21952 B17R2.41893 Fc1cncc(c1)COc2cnccc2Cl 34a_100011996695_100000725299 [0,2,0,0,0,0|2,0,0]=4 21953 B17R2.41893 Fc1cncc(c1)COc2cnccc2I 34a_100000050107_100000725299 [0,2,0,0,0,0|2,0,0]=4 21954 B17R2.41893 Fc1cncc(c1)COc2ncccc2Cl 34a_100011290957_100000725299 [0,2,0,0,0,0|2,0,0]=4 21955 B17R2.41893 Fc1cncc(c1)COc2ncccc2F 34a_100011219419_100000725299 [0,2,0,0,0,0|2,0,0]=4 21956 B17R2.41893 Fc1cncc(c1)CSc2c[nH]ccc2=S 62a_100000725299_200012280681 [0,2,0,0,0,0|2,0,0]=4 21957 B17R2.41893 Fc1cncc(c1)CSc2c[nH]ccc2=S 62a_200012280681_100000725299 [0,2,0,0,0,0|2,0,0]=4 21958 B17R2.41893 Fc1cncc(c1)CSc2ccccc2Br 62a_100000695589_100000725299 [0,2,0,0,0,0|1,0,0]=3 21959 B17R2.41893 Fc1cncc(c1)CSc2ccccc2Br 62a_100000725299_100000695589 [0,2,0,0,0,0|1,0,0]=3 21960 B17R2.41893 Fc1cncc(c1)CSc2ccccc2Cl 62a_100000725299_100000764095 [0,2,0,0,0,0|1,0,0]=3 21961 B17R2.41893 Fc1cncc(c1)CSc2ccccc2Cl 62a_100000764095_100000725299 [0,2,0,0,0,0|1,0,0]=3 21962 B17R2.41893 Fc1cncc(c1)CSc2ccccc2F 62a_100000725299_100011215700 [0,2,0,0,0,0|1,0,0]=3 21963 B17R2.41893 Fc1cncc(c1)CSc2ccccc2F 62a_100011215700_100000725299 [0,2,0,0,0,0|1,0,0]=3 21964 B17R2.41893 Fc1cncc(c1)CSc2cccnc2Br 62a_100000725299_100010202626 [0,2,0,0,0,0|2,0,0]=4 21965 B17R2.41893 Fc1cncc(c1)CSc2cccnc2Br 62a_100010202626_100000725299 [0,2,0,0,0,0|2,0,0]=4 21966 B17R2.41893 Fc1cncc(c1)CSc2cccnc2Cl 62a_100000036424_100000725299 [0,2,0,0,0,0|2,0,0]=4 21967 B17R2.41893 Fc1cncc(c1)CSc2cccnc2Cl 62a_100000725299_100000036424 [0,2,0,0,0,0|2,0,0]=4 21968 B17R2.41893 Fc1cncc(c1)CSc2cccnc2F 62a_100000725299_100009816115 [0,2,0,0,0,0|2,0,0]=4 21969 B17R2.41893 Fc1cncc(c1)CSc2cccnc2F 62a_100009816115_100000725299 [0,2,0,0,0,0|2,0,0]=4 21970 B17R2.41893 Fc1cncc(c1)CSc2ccncc2Br 62a_100000725299_100000726257 [0,2,0,0,0,0|2,0,0]=4 21971 B17R2.41893 Fc1cncc(c1)CSc2ccncc2Br 62a_100000726257_100000725299 [0,2,0,0,0,0|2,0,0]=4 21972 B17R2.41893 Fc1cncc(c1)CSc2ccncc2Cl 62a_100000708259_100000725299 [0,2,0,0,0,0|2,0,0]=4 21973 B17R2.41893 Fc1cncc(c1)CSc2ccncc2Cl 62a_100000725299_100000708259 [0,2,0,0,0,0|2,0,0]=4 21974 B17R2.41893 Fc1cncc(c1)CSc2ccncc2F 62a_100000047030_100000725299 [0,2,0,0,0,0|2,0,0]=4 21975 B17R2.41893 Fc1cncc(c1)CSc2ccncc2F 62a_100000725299_100000047030 [0,2,0,0,0,0|2,0,0]=4 21976 B17R2.41893 Fc1cncc(c1)CSc2cnccc2Br 62a_100000725299_100010138639 [0,2,0,0,0,0|2,0,0]=4 21977 B17R2.41893 Fc1cncc(c1)CSc2cnccc2Br 62a_100010138639_100000725299 [0,2,0,0,0,0|2,0,0]=4 21978 B17R2.41893 Fc1cncc(c1)CSc2cnccc2Cl 62a_100000725299_100009995489 [0,2,0,0,0,0|2,0,0]=4 21979 B17R2.41893 Fc1cncc(c1)CSc2cnccc2Cl 62a_100009995489_100000725299 [0,2,0,0,0,0|2,0,0]=4 21980 B17R2.41893 Fc1cncc(c1)CSc2cnccc2F 62a_100000725299_100009820683 [0,2,0,0,0,0|2,0,0]=4 21981 B17R2.41893 Fc1cncc(c1)CSc2cnccc2F 62a_100009820683_100000725299 [0,2,0,0,0,0|2,0,0]=4 21982 B17R2.41893 Fc1cncc(c1)CSc2ncccc2Br 62a_100000696092_100000725299 [0,2,0,0,0,0|2,0,0]=4 21983 B17R2.41893 Fc1cncc(c1)CSc2ncccc2Br 62a_100000725299_100000696092 [0,2,0,0,0,0|2,0,0]=4 21984 B17R2.41893 Fc1cncc(c1)CSc2ncccc2Cl 62a_100000725299_100011356963 [0,2,0,0,0,0|2,0,0]=4 21985 B17R2.41893 Fc1cncc(c1)CSc2ncccc2Cl 62a_100011356963_100000725299 [0,2,0,0,0,0|2,0,0]=4 21986 B17R2.41893 Fc1cncc(c1)CSc2ncccc2F 62a_100000685392_100000725299 [0,2,0,0,0,0|2,0,0]=4 21987 B17R2.41893 Fc1cncc(c1)CSc2ncccc2F 62a_100000725299_100000685392 [0,2,0,0,0,0|2,0,0]=4 21988 B17R2.41893 Fc1cncc(c1)OCc2ccccc2Br 34a_100011830296_100000184730 [0,2,0,0,0,0|2,0,0]=4 21989 B17R2.41893 Fc1cncc(c1)OCc2ccccc2Br 7a_100011830296_100000184730 [0,2,0,0,0,0|2,0,0]=4 21990 B17R2.41893 Fc1cncc(c1)OCc2ccccc2Cl 34a_100011830296_100000187162 [0,2,0,0,0,0|2,0,0]=4 21991 B17R2.41893 Fc1cncc(c1)OCc2ccccc2Cl 7a_100011830296_100000187162 [0,2,0,0,0,0|2,0,0]=4 21992 B17R2.41893 Fc1cncc(c1)OCc2ccccc2F 34a_100011830296_100000211605 [0,2,0,0,0,0|2,0,0]=4 21993 B17R2.41893 Fc1cncc(c1)OCc2ccccc2F 7a_100011830296_100000211605 [0,2,0,0,0,0|2,0,0]=4 21994 B17R2.41893 Fc1cncc(c1)OCc2ccccc2I 34a_100011830296_100011215278 [0,2,0,0,0,0|2,0,0]=4 21995 B17R2.41893 Fc1cncc(c1)OCc2ccccc2I 7a_100011830296_100011215278 [0,2,0,0,0,0|2,0,0]=4 21996 B17R2.41893 Fc1cncc(c1)OCc2cccnc2Br 34a_100011830296_100010140945 [0,2,0,0,0,0|2,0,0]=4 21997 B17R2.41893 Fc1cncc(c1)OCc2cccnc2Br 7a_100011830296_100010140945 [0,2,0,0,0,0|2,0,0]=4 21998 B17R2.41893 Fc1cncc(c1)OCc2cccnc2Cl 34a_100011830296_100000045678 [0,2,0,0,0,0|2,0,0]=4 21999 B17R2.41893 Fc1cncc(c1)OCc2cccnc2Cl 7a_100011830296_100000045678 [0,2,0,0,0,0|2,0,0]=4 22000 B17R2.41893 Fc1cncc(c1)OCc2cccnc2F 34a_100011830296_100000099810 [0,2,0,0,0,0|2,0,0]=4 22001 B17R2.41893 Fc1cncc(c1)OCc2cccnc2F 7a_100011830296_100000099810 [0,2,0,0,0,0|2,0,0]=4 22002 B17R2.41893 Fc1cncc(c1)SCc2ccccc2Br 62a_100000184730_100000744099 [0,2,0,0,0,0|2,0,0]=4 22003 B17R2.41893 Fc1cncc(c1)SCc2ccccc2Br 62a_100000744099_100000184730 [0,2,0,0,0,0|2,0,0]=4 22004 B17R2.41893 Fc1cncc(c1)SCc2ccccc2Cl 62a_100000187162_100000744099 [0,2,0,0,0,0|2,0,0]=4 22005 B17R2.41893 Fc1cncc(c1)SCc2ccccc2Cl 62a_100000744099_100000187162 [0,2,0,0,0,0|2,0,0]=4 22006 B17R2.41893 Fc1cncc(c1)SCc2ccccc2F 62a_100000211605_100000744099 [0,2,0,0,0,0|2,0,0]=4 22007 B17R2.41893 Fc1cncc(c1)SCc2ccccc2F 62a_100000744099_100000211605 [0,2,0,0,0,0|2,0,0]=4 22008 B17R2.41893 Fc1cncc(c1)SCc2ccccc2I 62a_100000744099_100011216222 [0,2,0,0,0,0|2,0,0]=4 22009 B17R2.41893 Fc1cncc(c1)SCc2ccccc2I 62a_100011216222_100000744099 [0,2,0,0,0,0|2,0,0]=4 22010 B17R2.41893 Fc1cncc(c1)SCc2cccnc2Br 62a_100000744099_100010140945 [0,2,0,0,0,0|2,0,0]=4 22011 B17R2.41893 Fc1cncc(c1)SCc2cccnc2Br 62a_100010140945_100000744099 [0,2,0,0,0,0|2,0,0]=4 22012 B17R2.41893 Fc1cncc(c1)SCc2cccnc2Cl 62a_100000045678_100000744099 [0,2,0,0,0,0|2,0,0]=4 22013 B17R2.41893 Fc1cncc(c1)SCc2cccnc2Cl 62a_100000744099_100000045678 [0,2,0,0,0,0|2,0,0]=4 22014 B17R2.41893 Fc1cncc(c1)SCc2cccnc2F 62a_100000099810_100000744099 [0,2,0,0,0,0|2,0,0]=4 22015 B17R2.41893 Fc1cncc(c1)SCc2cccnc2F 62a_100000744099_100000099810 [0,2,0,0,0,0|2,0,0]=4 22016 B17R2.41893 Fc1cncc(n1)NCc2cccnc2Br 27a_100009818023_200009863489 [0,2,0,0,0,0|2,0,0]=4 22017 B17R2.41893 Fc1cncc(n1)NCc2cccnc2Cl 27a_100015189234_200009863489 [0,2,0,0,0,0|2,0,0]=4 22018 B17R2.41893 Fc1cncc(n1)NCc2cccnc2F 27a_100000724633_200009863489 [0,2,0,0,0,0|2,0,0]=4 22019 B17R2.41893 Fc1cnccc1NCc2cccc(c2)Br 27a_100000174977_100000035921 [0,2,0,0,0,0|2,0,0]=4 22020 B17R2.41893 Fc1cnccc1NCc2cccc(c2)Cl 27a_100000174878_100000035921 [0,2,0,0,0,0|2,0,0]=4 22021 B17R2.41893 Fc1cnccc1NCc2cccc(c2)I 27a_100000106179_100000035921 [0,2,0,0,0,0|2,0,0]=4 22022 B17R2.41893 Fc1cnccc1NCc2cncc(c2)Br 27a_100011249555_100000035921 [0,2,0,0,0,0|1,0,0]=3 22023 B17R2.41893 Fc1cnccc1NCc2cncc(c2)Cl 27a_200020614424_100000035921 [0,2,0,0,0,0|1,0,0]=3 22024 B17R2.41893 Fc1cnccc1OCc2cncc(c2)Br 34a_200000081243_100000738771 [0,2,0,0,0,0|2,0,0]=4 22025 B17R2.41893 Fc1cnccc1OCc2cncc(c2)Cl 34a_200000081243_100016992070 [0,2,0,0,0,0|2,0,0]=4 22026 B17R2.41893 Fc1cnccc1SCc2cncc(c2)Br 62a_100000047030_100000738771 [0,2,0,0,0,0|2,0,0]=4 22027 B17R2.41893 Fc1cnccc1SCc2cncc(c2)Br 62a_100000738771_100000047030 [0,2,0,0,0,0|2,0,0]=4 22028 B17R2.41893 Fc1cnccc1SCc2cncc(c2)Cl 62a_100000047030_100016992070 [0,2,0,0,0,0|2,0,0]=4 22029 B17R2.41893 Fc1cnccc1SCc2cncc(c2)Cl 62a_100016992070_100000047030 [0,2,0,0,0,0|2,0,0]=4 22030 B17R2.41893 Fc1cncnc1NCc2cncc(c2)Br 27a_100011249555_100000069762 [0,2,0,0,0,0|2,0,0]=4 22031 B17R2.41893 Fc1cncnc1NCc2cncc(c2)Cl 27a_200020614424_100000069762 [0,2,0,0,0,0|2,0,0]=4 22032 B17R2.41893 Fc1ncccc1C=Cc2cccc(c2)Cl 271570a_100102525933_100009816115 [0,2,0,0,0,0|1,0,1]=4 22033 B17R2.41893 Fc1ncccc1CNc2cccc(c2)Br 34a_100000210019_100000099810 [0,2,0,0,0,0|0,0,0]=2 22034 B17R2.41893 Fc1ncccc1CNc2cccc(c2)Cl 34a_100000185859_100000099810 [0,2,0,0,0,0|0,0,0]=2 22035 B17R2.41893 Fc1ncccc1CNc2cccc(c2)I 34a_100000211102_100000099810 [0,2,0,0,0,0|0,0,0]=2 22036 B17R2.41893 Fc1ncccc1CNc2cncc(n2)Cl 27a_100000724633_100010892449 [0,2,0,0,0,0|2,0,0]=4 22037 B17R2.41893 Fc1ncccc1COc2cccc(c2)Br 34a_100000210342_100000099810 [0,2,0,0,0,0|1,0,0]=3 22038 B17R2.41893 Fc1ncccc1COc2cccc(c2)Br 7a_100000210342_100000099810 [0,2,0,0,0,0|1,0,0]=3 22039 B17R2.41893 Fc1ncccc1COc2cccc(c2)Cl 34a_100000210295_100000099810 [0,2,0,0,0,0|1,0,0]=3 22040 B17R2.41893 Fc1ncccc1COc2cccc(c2)Cl 7a_100000210295_100000099810 [0,2,0,0,0,0|1,0,0]=3 22041 B17R2.41893 Fc1ncccc1COc2cccc(c2)I 34a_100000211634_100000099810 [0,2,0,0,0,0|1,0,0]=3 22042 B17R2.41893 Fc1ncccc1COc2cccc(c2)I 7a_100000211634_100000099810 [0,2,0,0,0,0|1,0,0]=3 22043 B17R2.41893 Fc1ncccc1COc2ccnc(c2)Cl 34a_100000762945_100000099810 [0,2,0,0,0,0|2,0,0]=4 22044 B17R2.41893 Fc1ncccc1COc2cncc(c2)Br 34a_100000754920_100000099810 [0,2,0,0,0,0|2,0,0]=4 22045 B17R2.41893 Fc1ncccc1COc2cncc(c2)Br 7a_100000754920_100000099810 [0,2,0,0,0,0|2,0,0]=4 22046 B17R2.41893 Fc1ncccc1COc2cncc(c2)Cl 7a_100000032511_100000099810 [0,2,0,0,0,0|2,0,0]=4 22047 B17R2.41893 Fc1ncccc1CSc2cc(ccn2)Cl 62a_100000099810_100010167805 [0,2,0,0,0,0|2,0,0]=4 22048 B17R2.41893 Fc1ncccc1CSc2cc(ccn2)Cl 62a_100010167805_100000099810 [0,2,0,0,0,0|2,0,0]=4 22049 B17R2.41893 Fc1ncccc1CSc2cccc(c2)Br 62a_100000099810_100000691529 [0,2,0,0,0,0|1,0,0]=3 22050 B17R2.41893 Fc1ncccc1CSc2cccc(c2)Br 62a_100000691529_100000099810 [0,2,0,0,0,0|1,0,0]=3 22051 B17R2.41893 Fc1ncccc1CSc2cccc(c2)Cl 62a_100000099810_100000699651 [0,2,0,0,0,0|1,0,0]=3 22052 B17R2.41893 Fc1ncccc1CSc2cccc(c2)Cl 62a_100000699651_100000099810 [0,2,0,0,0,0|1,0,0]=3 22053 B17R2.41893 Fc1ncccc1CSc2cccc(c2)[S] 62a_100000099810_114929384022 [0,2,0,0,0,0|1,0,0]=3 22054 B17R2.41893 Fc1ncccc1CSc2cccc(c2)[S] 62a_114929384022_100000099810 [0,2,0,0,0,0|1,0,0]=3 22055 B17R2.41893 Fc1ncccc1CSc2cccc(n2)Br 62a_100000099810_100000684672 [0,2,0,0,0,0|2,0,0]=4 22056 B17R2.41893 Fc1ncccc1CSc2cccc(n2)Br 62a_100000684672_100000099810 [0,2,0,0,0,0|2,0,0]=4 22057 B17R2.41893 Fc1ncccc1CSc2cccc(n2)Cl 62a_100000051397_100000099810 [0,2,0,0,0,0|2,0,0]=4 22058 B17R2.41893 Fc1ncccc1CSc2cccc(n2)Cl 62a_100000099810_100000051397 [0,2,0,0,0,0|2,0,0]=4 22059 B17R2.41893 Fc1ncccc1CSc2ccnc(c2)Br 62a_100000099810_100009814637 [0,2,0,0,0,0|2,0,0]=4 22060 B17R2.41893 Fc1ncccc1CSc2ccnc(c2)Br 62a_100009814637_100000099810 [0,2,0,0,0,0|2,0,0]=4 22061 B17R2.41893 Fc1ncccc1CSc2ccnc(c2)Cl 62a_100000035001_100000099810 [0,2,0,0,0,0|2,0,0]=4 22062 B17R2.41893 Fc1ncccc1CSc2ccnc(c2)Cl 62a_100000099810_100000035001 [0,2,0,0,0,0|2,0,0]=4 22063 B17R2.41893 Fc1ncccc1CSc2cncc(c2)Br 62a_100000099810_100000728054 [0,2,0,0,0,0|2,0,0]=4 22064 B17R2.41893 Fc1ncccc1CSc2cncc(c2)Br 62a_100000728054_100000099810 [0,2,0,0,0,0|2,0,0]=4 22065 B17R2.41893 Fc1ncccc1CSc2cncc(c2)Cl 62a_100000049639_100000099810 [0,2,0,0,0,0|2,0,0]=4 22066 B17R2.41893 Fc1ncccc1CSc2cncc(c2)Cl 62a_100000099810_100000049639 [0,2,0,0,0,0|2,0,0]=4 22067 B17R2.41893 Fc1ncccc1OCc2cccc(c2)Br 34a_100000061740_100000698116 [0,2,0,0,0,0|2,0,0]=4 22068 B17R2.41893 Fc1ncccc1OCc2cccc(c2)Br 7a_100000061740_100000211773 [0,2,0,0,0,0|2,0,0]=4 22069 B17R2.41893 Fc1ncccc1OCc2cccc(c2)Cl 34a_100000061740_100000187163 [0,2,0,0,0,0|2,0,0]=4 22070 B17R2.41893 Fc1ncccc1OCc2cccc(c2)Cl 7a_100000061740_100000187163 [0,2,0,0,0,0|2,0,0]=4 22071 B17R2.41893 Fc1ncccc1OCc2cccc(c2)I 34a_100000061740_100011218688 [0,2,0,0,0,0|2,0,0]=4 22072 B17R2.41893 Fc1ncccc1OCc2cccc(c2)I 7a_100000061740_100011218688 [0,2,0,0,0,0|2,0,0]=4 22073 B17R2.41893 Fc1ncccc1OCc2cncc(c2)Br 34a_100000061740_100000738771 [0,2,0,0,0,0|2,0,0]=4 22074 B17R2.41893 Fc1ncccc1OCc2cncc(c2)Br 7a_100000061740_100000738771 [0,2,0,0,0,0|2,0,0]=4 22075 B17R2.41893 Fc1ncccc1OCc2cncc(c2)Cl 34a_100000061740_100016992070 [0,2,0,0,0,0|2,0,0]=4 22076 B17R2.41893 Fc1ncccc1OCc2cncc(c2)Cl 7a_100000061740_100016992070 [0,2,0,0,0,0|2,0,0]=4 22077 B17R2.41893 Fc1ncccc1SCc2cccc(c2)Br 62a_100000211773_100009816115 [0,2,0,0,0,0|2,0,0]=4 22078 B17R2.41893 Fc1ncccc1SCc2cccc(c2)Br 62a_100009816115_100000211773 [0,2,0,0,0,0|2,0,0]=4 22079 B17R2.41893 Fc1ncccc1SCc2cccc(c2)Cl 62a_100000187163_100009816115 [0,2,0,0,0,0|2,0,0]=4 22080 B17R2.41893 Fc1ncccc1SCc2cccc(c2)Cl 62a_100009816115_100000187163 [0,2,0,0,0,0|2,0,0]=4 22081 B17R2.41893 Fc1ncccc1SCc2cccc(c2)I 62a_100009816115_100011218688 [0,2,0,0,0,0|2,0,0]=4 22082 B17R2.41893 Fc1ncccc1SCc2cccc(c2)I 62a_100011218688_100009816115 [0,2,0,0,0,0|2,0,0]=4 22083 B17R2.41893 Fc1ncccc1SCc2cncc(c2)Br 62a_100000738771_100009816115 [0,2,0,0,0,0|2,0,0]=4 22084 B17R2.41893 Fc1ncccc1SCc2cncc(c2)Br 62a_100009816115_100000738771 [0,2,0,0,0,0|2,0,0]=4 22085 B17R2.41893 Fc1ncccc1SCc2cncc(c2)Cl 62a_100009816115_100016992070 [0,2,0,0,0,0|2,0,0]=4 22086 B17R2.41893 Fc1ncccc1SCc2cncc(c2)Cl 62a_100016992070_100009816115 [0,2,0,0,0,0|2,0,0]=4 22087 B17R2.41893 Fc1nccnc1NCc2cncc(c2)Br 27a_100011249555_200010125657 [0,2,0,0,0,0|2,0,0]=4 22088 B17R2.41893 Fc1nccnc1NCc2cncc(c2)Cl 27a_200020614424_200010125657 [0,2,0,0,0,0|2,0,0]=4 22089 B17R2.41893 Ic1cccc(c1)CNc2ccccc2I 207a_100000210053_100000014684 [0,2,0,0,0,0|1,0,0]=3 22090 B17R2.41893 Ic1cccc(c1)CNc2ccccc2I 34a_100000210053_100011218688 [0,2,0,0,0,0|1,0,0]=3 22091 B17R2.41893 Ic1cccc(c1)COc2ccccc2I 34a_100000739446_100011218688 [0,2,0,0,0,0|2,0,0]=4 22092 B17R2.41893 Ic1cccc(c1)COc2ccccc2I 7a_100000739446_100011218688 [0,2,0,0,0,0|2,0,0]=4 22093 B17R2.41893 Ic1cccc(c1)COc2cccnc2I 34a_100000034122_100011218688 [0,2,0,0,0,0|2,0,0]=4 22094 B17R2.41893 Ic1cccc(c1)COc2cccnc2I 7a_100000034122_100011218688 [0,2,0,0,0,0|2,0,0]=4 22095 B17R2.41893 Ic1cccc(c1)COc2cnccc2I 34a_100000050107_100011218688 [0,2,0,0,0,0|2,0,0]=4 22096 B17R2.41893 Ic1cccc(c1)NCc2ccccc2I 207a_100000211102_100000010305 [0,2,0,0,0,0|1,0,0]=3 22097 B17R2.41893 Ic1cccc(c1)NCc2ccccc2I 34a_100000211102_100011215278 [0,2,0,0,0,0|1,0,0]=3 22098 B17R2.41893 Ic1cccc(c1)OCc2ccccc2I 34a_100000211634_100011215278 [0,2,0,0,0,0|2,0,0]=4 22099 B17R2.41893 Ic1cccc(c1)OCc2ccccc2I 7a_100000211634_100011215278 [0,2,0,0,0,0|2,0,0]=4 22100 B17R2.41893 Nc1cc(ccn1)OCc2cccnc2Br 34a_100011834064_100010140945 [0,2,0,0,0,0|2,0,0]=4 22101 B17R2.41893 Nc1cc(ccn1)OCc2cccnc2Cl 34a_100011834064_100000045678 [0,2,0,0,0,0|2,0,0]=4 22102 B17R2.41893 Nc1cc(ccn1)OCc2cccnc2F 34a_100011834064_100000099810 [0,2,0,0,0,0|2,0,0]=4 22103 B17R2.41893 Nc1cc(ccn1)SCc2cccnc2Br 62a_100000049665_100010140945 [0,2,0,0,0,0|2,0,0]=4 22104 B17R2.41893 Nc1cc(ccn1)SCc2cccnc2Br 62a_100010140945_100000049665 [0,2,0,0,0,0|2,0,0]=4 22105 B17R2.41893 Nc1cc(ccn1)SCc2cccnc2Cl 62a_100000045678_100000049665 [0,2,0,0,0,0|2,0,0]=4 22106 B17R2.41893 Nc1cc(ccn1)SCc2cccnc2Cl 62a_100000049665_100000045678 [0,2,0,0,0,0|2,0,0]=4 22107 B17R2.41893 Nc1cc(ccn1)SCc2cccnc2F 62a_100000049665_100000099810 [0,2,0,0,0,0|2,0,0]=4 22108 B17R2.41893 Nc1cc(ccn1)SCc2cccnc2F 62a_100000099810_100000049665 [0,2,0,0,0,0|2,0,0]=4 22109 B17R2.41893 Nc1cc(ncn1)NCc2cccnc2Br 27a_100009818023_100000701291 [0,2,0,0,0,0|2,0,0]=4 22110 B17R2.41893 Nc1cc(ncn1)NCc2cccnc2Cl 27a_100015189234_100000701291 [0,2,0,0,0,0|2,0,0]=4 22111 B17R2.41893 Nc1cc(ncn1)NCc2cccnc2F 27a_100000724633_100000701291 [0,2,0,0,0,0|2,0,0]=4 22112 B17R2.41893 Nc1cccc(c1)OCc2ccccc2Br 34a_100000210217_100000184730 [0,2,0,0,0,0|2,0,0]=4 22113 B17R2.41893 Nc1cccc(c1)OCc2ccccc2Cl 34a_100000210217_100000187162 [0,2,0,0,0,0|2,0,0]=4 22114 B17R2.41893 Nc1cccc(c1)OCc2ccccc2F 34a_100000210217_100000211605 [0,2,0,0,0,0|2,0,0]=4 22115 B17R2.41893 Nc1cccc(c1)OCc2ccccc2I 34a_100000210217_100011215278 [0,2,0,0,0,0|2,0,0]=4 22116 B17R2.41893 Nc1cccc(c1)OCc2cccnc2Br 34a_100000210217_100010140945 [0,2,0,0,0,0|1,0,0]=3 22117 B17R2.41893 Nc1cccc(c1)OCc2cccnc2Cl 34a_100000210217_100000045678 [0,2,0,0,0,0|1,0,0]=3 22118 B17R2.41893 Nc1cccc(c1)OCc2cccnc2F 34a_100000210217_100000099810 [0,2,0,0,0,0|1,0,0]=3 22119 B17R2.41893 Nc1cccc(c1)SCc2ccccc2Br 62a_100000184730_100000210019 [0,2,0,0,0,0|2,0,0]=4 22120 B17R2.41893 Nc1cccc(c1)SCc2ccccc2Br 62a_100000210019_100000184730 [0,2,0,0,0,0|2,0,0]=4 22121 B17R2.41893 Nc1cccc(c1)SCc2ccccc2Cl 62a_100000187162_100000210019 [0,2,0,0,0,0|2,0,0]=4 22122 B17R2.41893 Nc1cccc(c1)SCc2ccccc2Cl 62a_100000210019_100000187162 [0,2,0,0,0,0|2,0,0]=4 22123 B17R2.41893 Nc1cccc(c1)SCc2ccccc2F 62a_100000210019_100000211605 [0,2,0,0,0,0|2,0,0]=4 22124 B17R2.41893 Nc1cccc(c1)SCc2ccccc2F 62a_100000211605_100000210019 [0,2,0,0,0,0|2,0,0]=4 22125 B17R2.41893 Nc1cccc(c1)SCc2ccccc2I 62a_100000210019_100011216222 [0,2,0,0,0,0|2,0,0]=4 22126 B17R2.41893 Nc1cccc(c1)SCc2ccccc2I 62a_100011216222_100000210019 [0,2,0,0,0,0|2,0,0]=4 22127 B17R2.41893 Nc1cccc(c1)SCc2cccnc2Br 62a_100000210019_100010140945 [0,2,0,0,0,0|1,0,0]=3 22128 B17R2.41893 Nc1cccc(c1)SCc2cccnc2Br 62a_100010140945_100000210019 [0,2,0,0,0,0|1,0,0]=3 22129 B17R2.41893 Nc1cccc(c1)SCc2cccnc2Cl 62a_100000045678_100000210019 [0,2,0,0,0,0|1,0,0]=3 22130 B17R2.41893 Nc1cccc(c1)SCc2cccnc2Cl 62a_100000210019_100000045678 [0,2,0,0,0,0|1,0,0]=3 22131 B17R2.41893 Nc1cccc(c1)SCc2cccnc2F 62a_100000099810_100000210019 [0,2,0,0,0,0|1,0,0]=3 22132 B17R2.41893 Nc1cccc(c1)SCc2cccnc2F 62a_100000210019_100000099810 [0,2,0,0,0,0|1,0,0]=3 22133 B17R2.41893 Nc1cccc(n1)SCc2cccnc2Br 62a_100000740741_100010140945 [0,2,0,0,0,0|2,0,0]=4 22134 B17R2.41893 Nc1cccc(n1)SCc2cccnc2Br 62a_100010140945_100000740741 [0,2,0,0,0,0|2,0,0]=4 22135 B17R2.41893 Nc1cccc(n1)SCc2cccnc2Cl 62a_100000045678_100000740741 [0,2,0,0,0,0|2,0,0]=4 22136 B17R2.41893 Nc1cccc(n1)SCc2cccnc2Cl 62a_100000740741_100000045678 [0,2,0,0,0,0|2,0,0]=4 22137 B17R2.41893 Nc1cccc(n1)SCc2cccnc2F 62a_100000099810_100000740741 [0,2,0,0,0,0|2,0,0]=4 22138 B17R2.41893 Nc1cccc(n1)SCc2cccnc2F 62a_100000740741_100000099810 [0,2,0,0,0,0|2,0,0]=4 22139 B17R2.41893 Nc1ccccc1OCc2cccc(c2)Br 34a_100000185747_100000698116 [0,2,0,0,0,0|2,0,0]=4 22140 B17R2.41893 Nc1ccccc1OCc2cccc(c2)Br 7a_100000185747_100000211773 [0,2,0,0,0,0|2,0,0]=4 22141 B17R2.41893 Nc1ccccc1OCc2cccc(c2)Cl 34a_100000185747_100000187163 [0,2,0,0,0,0|2,0,0]=4 22142 B17R2.41893 Nc1ccccc1OCc2cccc(c2)Cl 7a_100000185747_100000187163 [0,2,0,0,0,0|2,0,0]=4 22143 B17R2.41893 Nc1ccccc1OCc2cccc(c2)F 34a_100000185747_100000187166 [0,2,0,0,0,0|2,0,0]=4 22144 B17R2.41893 Nc1ccccc1OCc2cccc(c2)F 7a_100000185747_100000230114 [0,2,0,0,0,0|2,0,0]=4 22145 B17R2.41893 Nc1ccccc1OCc2cccc(c2)I 34a_100000185747_100011218688 [0,2,0,0,0,0|2,0,0]=4 22146 B17R2.41893 Nc1ccccc1OCc2cccc(c2)I 7a_100000185747_100011218688 [0,2,0,0,0,0|2,0,0]=4 22147 B17R2.41893 Nc1ccccc1OCc2cccc(c2)O 34a_100000185747_100011660834 [0,2,0,0,0,0|2,0,0]=4 22148 B17R2.41893 Nc1ccccc1OCc2cccc(c2)O 7a_100000185747_100000084143 [0,2,0,0,0,0|2,0,0]=4 22149 B17R2.41893 Nc1ccccc1OCc2cncc(c2)Br 34a_100000185747_100000738771 [0,2,0,0,0,0|1,0,0]=3 22150 B17R2.41893 Nc1ccccc1OCc2cncc(c2)Br 7a_100000185747_100000738771 [0,2,0,0,0,0|1,0,0]=3 22151 B17R2.41893 Nc1ccccc1OCc2cncc(c2)Cl 34a_100000185747_100016992070 [0,2,0,0,0,0|1,0,0]=3 22152 B17R2.41893 Nc1ccccc1OCc2cncc(c2)Cl 7a_100000185747_100016992070 [0,2,0,0,0,0|1,0,0]=3 22153 B17R2.41893 Nc1ccccc1OCc2cncc(c2)F 34a_100000185747_100000725299 [0,2,0,0,0,0|1,0,0]=3 22154 B17R2.41893 Nc1ccccc1OCc2cncc(c2)F 7a_100000185747_100000725299 [0,2,0,0,0,0|1,0,0]=3 22155 B17R2.41893 Nc1ccccc1SCc2cccc(c2)Br 62a_100000210017_100000211773 [0,2,0,0,0,0|2,0,0]=4 22156 B17R2.41893 Nc1ccccc1SCc2cccc(c2)Br 62a_100000211773_100000210017 [0,2,0,0,0,0|2,0,0]=4 22157 B17R2.41893 Nc1ccccc1SCc2cccc(c2)Cl 62a_100000187163_100000210017 [0,2,0,0,0,0|2,0,0]=4 22158 B17R2.41893 Nc1ccccc1SCc2cccc(c2)Cl 62a_100000210017_100000187163 [0,2,0,0,0,0|2,0,0]=4 22159 B17R2.41893 Nc1ccccc1SCc2cccc(c2)F 62a_100000210017_100000230114 [0,2,0,0,0,0|2,0,0]=4 22160 B17R2.41893 Nc1ccccc1SCc2cccc(c2)F 62a_100000230114_100000210017 [0,2,0,0,0,0|2,0,0]=4 22161 B17R2.41893 Nc1ccccc1SCc2cccc(c2)I 62a_100000210017_100011218688 [0,2,0,0,0,0|2,0,0]=4 22162 B17R2.41893 Nc1ccccc1SCc2cccc(c2)I 62a_100011218688_100000210017 [0,2,0,0,0,0|2,0,0]=4 22163 B17R2.41893 Nc1ccccc1SCc2cccc(c2)O 62a_100000210017_100011660834 [0,2,0,0,0,0|2,0,0]=4 22164 B17R2.41893 Nc1ccccc1SCc2cccc(c2)O 62a_100011660834_100000210017 [0,2,0,0,0,0|2,0,0]=4 22165 B17R2.41893 Nc1ccccc1SCc2cncc(c2)Br 62a_100000210017_100000738771 [0,2,0,0,0,0|1,0,0]=3 22166 B17R2.41893 Nc1ccccc1SCc2cncc(c2)Br 62a_100000738771_100000210017 [0,2,0,0,0,0|1,0,0]=3 22167 B17R2.41893 Nc1ccccc1SCc2cncc(c2)Cl 62a_100000210017_100016992070 [0,2,0,0,0,0|1,0,0]=3 22168 B17R2.41893 Nc1ccccc1SCc2cncc(c2)Cl 62a_100016992070_100000210017 [0,2,0,0,0,0|1,0,0]=3 22169 B17R2.41893 Nc1ccccc1SCc2cncc(c2)F 62a_100000210017_100000725299 [0,2,0,0,0,0|1,0,0]=3 22170 B17R2.41893 Nc1ccccc1SCc2cncc(c2)F 62a_100000725299_100000210017 [0,2,0,0,0,0|1,0,0]=3 22171 B17R2.41893 Nc1cccnc1OCc2cncc(c2)Br 34a_100000746358_100000738771 [0,2,0,0,0,0|2,0,0]=4 22172 B17R2.41893 Nc1cccnc1OCc2cncc(c2)Cl 34a_100000746358_100016992070 [0,2,0,0,0,0|2,0,0]=4 22173 B17R2.41893 Nc1cccnc1OCc2cncc(c2)F 34a_100000746358_100000725299 [0,2,0,0,0,0|2,0,0]=4 22174 B17R2.41893 Nc1cccnc1SCc2cncc(c2)Br 62a_100000688686_100000738771 [0,2,0,0,0,0|2,0,0]=4 22175 B17R2.41893 Nc1cccnc1SCc2cncc(c2)Br 62a_100000738771_100000688686 [0,2,0,0,0,0|2,0,0]=4 22176 B17R2.41893 Nc1cccnc1SCc2cncc(c2)Cl 62a_100000688686_100016992070 [0,2,0,0,0,0|2,0,0]=4 22177 B17R2.41893 Nc1cccnc1SCc2cncc(c2)Cl 62a_100016992070_100000688686 [0,2,0,0,0,0|2,0,0]=4 22178 B17R2.41893 Nc1cccnc1SCc2cncc(c2)F 62a_100000688686_100000725299 [0,2,0,0,0,0|2,0,0]=4 22179 B17R2.41893 Nc1cccnc1SCc2cncc(c2)F 62a_100000725299_100000688686 [0,2,0,0,0,0|2,0,0]=4 22180 B17R2.41893 Nc1ccnc(c1)SCc2cccnc2Br 62a_100009814236_100010140945 [0,2,0,0,0,0|2,0,0]=4 22181 B17R2.41893 Nc1ccnc(c1)SCc2cccnc2Br 62a_100010140945_100009814236 [0,2,0,0,0,0|2,0,0]=4 22182 B17R2.41893 Nc1ccnc(c1)SCc2cccnc2Cl 62a_100000045678_100009814236 [0,2,0,0,0,0|2,0,0]=4 22183 B17R2.41893 Nc1ccnc(c1)SCc2cccnc2Cl 62a_100009814236_100000045678 [0,2,0,0,0,0|2,0,0]=4 22184 B17R2.41893 Nc1ccnc(c1)SCc2cccnc2F 62a_100000099810_100009814236 [0,2,0,0,0,0|2,0,0]=4 22185 B17R2.41893 Nc1ccnc(c1)SCc2cccnc2F 62a_100009814236_100000099810 [0,2,0,0,0,0|2,0,0]=4 22186 B17R2.41893 Nc1ccnc(n1)NCc2cccnc2Br 27a_100009818023_100000757536 [0,2,0,0,0,0|2,0,0]=4 22187 B17R2.41893 Nc1ccnc(n1)NCc2cccnc2Cl 27a_100015189234_100000757536 [0,2,0,0,0,0|2,0,0]=4 22188 B17R2.41893 Nc1ccnc(n1)NCc2cccnc2F 27a_100000724633_100000757536 [0,2,0,0,0,0|2,0,0]=4 22189 B17R2.41893 Nc1ccncc1C=Cc2cccc(c2)Cl 271570a_100102525933_100000047001 [0,2,0,0,0,0|1,0,1]=4 22190 B17R2.41893 Nc1ccncc1C=Cc2cccc(c2)F 271570a_100102525537_100000047001 [0,2,0,0,0,0|1,0,1]=4 22191 B17R2.41893 Nc1ccncc1OCc2cccc(c2)Br 34a_100000753702_100000698116 [0,2,0,0,0,0|2,0,0]=4 22192 B17R2.41893 Nc1ccncc1OCc2cccc(c2)Cl 34a_100000753702_100000187163 [0,2,0,0,0,0|2,0,0]=4 22193 B17R2.41893 Nc1ccncc1OCc2cccc(c2)F 34a_100000753702_100000187166 [0,2,0,0,0,0|2,0,0]=4 22194 B17R2.41893 Nc1ccncc1OCc2cccc(c2)I 34a_100000753702_100011218688 [0,2,0,0,0,0|2,0,0]=4 22195 B17R2.41893 Nc1ccncc1OCc2cccc(c2)O 34a_100000753702_100011660834 [0,2,0,0,0,0|2,0,0]=4 22196 B17R2.41893 Nc1ccncc1OCc2cncc(c2)Br 34a_100000753702_100000738771 [0,2,0,0,0,0|2,0,0]=4 22197 B17R2.41893 Nc1ccncc1OCc2cncc(c2)Cl 34a_100000753702_100016992070 [0,2,0,0,0,0|2,0,0]=4 22198 B17R2.41893 Nc1ccncc1OCc2cncc(c2)F 34a_100000753702_100000725299 [0,2,0,0,0,0|2,0,0]=4 22199 B17R2.41893 Nc1ccncc1SCc2cccc(c2)Br 62a_100000047001_100000211773 [0,2,0,0,0,0|2,0,0]=4 22200 B17R2.41893 Nc1ccncc1SCc2cccc(c2)Br 62a_100000211773_100000047001 [0,2,0,0,0,0|2,0,0]=4 22201 B17R2.41893 Nc1ccncc1SCc2cccc(c2)Cl 62a_100000047001_100000187163 [0,2,0,0,0,0|2,0,0]=4 22202 B17R2.41893 Nc1ccncc1SCc2cccc(c2)Cl 62a_100000187163_100000047001 [0,2,0,0,0,0|2,0,0]=4 22203 B17R2.41893 Nc1ccncc1SCc2cccc(c2)F 62a_100000047001_100000230114 [0,2,0,0,0,0|2,0,0]=4 22204 B17R2.41893 Nc1ccncc1SCc2cccc(c2)F 62a_100000230114_100000047001 [0,2,0,0,0,0|2,0,0]=4 22205 B17R2.41893 Nc1ccncc1SCc2cccc(c2)I 62a_100000047001_100011218688 [0,2,0,0,0,0|2,0,0]=4 22206 B17R2.41893 Nc1ccncc1SCc2cccc(c2)I 62a_100011218688_100000047001 [0,2,0,0,0,0|2,0,0]=4 22207 B17R2.41893 Nc1ccncc1SCc2cccc(c2)O 62a_100000047001_100011660834 [0,2,0,0,0,0|2,0,0]=4 22208 B17R2.41893 Nc1ccncc1SCc2cccc(c2)O 62a_100011660834_100000047001 [0,2,0,0,0,0|2,0,0]=4 22209 B17R2.41893 Nc1ccncc1SCc2cncc(c2)Br 62a_100000047001_100000738771 [0,2,0,0,0,0|2,0,0]=4 22210 B17R2.41893 Nc1ccncc1SCc2cncc(c2)Br 62a_100000738771_100000047001 [0,2,0,0,0,0|2,0,0]=4 22211 B17R2.41893 Nc1ccncc1SCc2cncc(c2)Cl 62a_100000047001_100016992070 [0,2,0,0,0,0|2,0,0]=4 22212 B17R2.41893 Nc1ccncc1SCc2cncc(c2)Cl 62a_100016992070_100000047001 [0,2,0,0,0,0|2,0,0]=4 22213 B17R2.41893 Nc1ccncc1SCc2cncc(c2)F 62a_100000047001_100000725299 [0,2,0,0,0,0|2,0,0]=4 22214 B17R2.41893 Nc1ccncc1SCc2cncc(c2)F 62a_100000725299_100000047001 [0,2,0,0,0,0|2,0,0]=4 22215 B17R2.41893 Nc1cncc(c1)C=Cc2ccccc2F 271570a_200102527919_100000687067 [0,2,0,0,0,0|1,0,1]=4 22216 B17R2.41893 Nc1cncc(c1)OCc2ccccc2Br 34a_100011997051_100000184730 [0,2,0,0,0,0|2,0,0]=4 22217 B17R2.41893 Nc1cncc(c1)OCc2ccccc2Cl 34a_100011997051_100000187162 [0,2,0,0,0,0|2,0,0]=4 22218 B17R2.41893 Nc1cncc(c1)OCc2ccccc2F 34a_100011997051_100000211605 [0,2,0,0,0,0|2,0,0]=4 22219 B17R2.41893 Nc1cncc(c1)OCc2ccccc2I 34a_100011997051_100011215278 [0,2,0,0,0,0|2,0,0]=4 22220 B17R2.41893 Nc1cncc(c1)OCc2cccnc2Br 34a_100011997051_100010140945 [0,2,0,0,0,0|2,0,0]=4 22221 B17R2.41893 Nc1cncc(c1)OCc2cccnc2Cl 34a_100011997051_100000045678 [0,2,0,0,0,0|2,0,0]=4 22222 B17R2.41893 Nc1cncc(c1)OCc2cccnc2F 34a_100011997051_100000099810 [0,2,0,0,0,0|2,0,0]=4 22223 B17R2.41893 Nc1cncc(c1)SCc2ccccc2Br 62a_100000184730_100000687067 [0,2,0,0,0,0|2,0,0]=4 22224 B17R2.41893 Nc1cncc(c1)SCc2ccccc2Br 62a_100000687067_100000184730 [0,2,0,0,0,0|2,0,0]=4 22225 B17R2.41893 Nc1cncc(c1)SCc2ccccc2Cl 62a_100000187162_100000687067 [0,2,0,0,0,0|2,0,0]=4 22226 B17R2.41893 Nc1cncc(c1)SCc2ccccc2Cl 62a_100000687067_100000187162 [0,2,0,0,0,0|2,0,0]=4 22227 B17R2.41893 Nc1cncc(c1)SCc2ccccc2F 62a_100000211605_100000687067 [0,2,0,0,0,0|2,0,0]=4 22228 B17R2.41893 Nc1cncc(c1)SCc2ccccc2F 62a_100000687067_100000211605 [0,2,0,0,0,0|2,0,0]=4 22229 B17R2.41893 Nc1cncc(c1)SCc2ccccc2I 62a_100000687067_100011216222 [0,2,0,0,0,0|2,0,0]=4 22230 B17R2.41893 Nc1cncc(c1)SCc2ccccc2I 62a_100011216222_100000687067 [0,2,0,0,0,0|2,0,0]=4 22231 B17R2.41893 Nc1cncc(c1)SCc2cccnc2Br 62a_100000687067_100010140945 [0,2,0,0,0,0|2,0,0]=4 22232 B17R2.41893 Nc1cncc(c1)SCc2cccnc2Br 62a_100010140945_100000687067 [0,2,0,0,0,0|2,0,0]=4 22233 B17R2.41893 Nc1cncc(c1)SCc2cccnc2Cl 62a_100000045678_100000687067 [0,2,0,0,0,0|2,0,0]=4 22234 B17R2.41893 Nc1cncc(c1)SCc2cccnc2Cl 62a_100000687067_100000045678 [0,2,0,0,0,0|2,0,0]=4 22235 B17R2.41893 Nc1cncc(c1)SCc2cccnc2F 62a_100000099810_100000687067 [0,2,0,0,0,0|2,0,0]=4 22236 B17R2.41893 Nc1cncc(c1)SCc2cccnc2F 62a_100000687067_100000099810 [0,2,0,0,0,0|2,0,0]=4 22237 B17R2.41893 Nc1cnccc1SCc2cncc(c2)Br 62a_100000738771_100000756074 [0,2,0,0,0,0|2,0,0]=4 22238 B17R2.41893 Nc1cnccc1SCc2cncc(c2)Br 62a_100000756074_100000738771 [0,2,0,0,0,0|2,0,0]=4 22239 B17R2.41893 Nc1cnccc1SCc2cncc(c2)Cl 62a_100000756074_100016992070 [0,2,0,0,0,0|2,0,0]=4 22240 B17R2.41893 Nc1cnccc1SCc2cncc(c2)Cl 62a_100016992070_100000756074 [0,2,0,0,0,0|2,0,0]=4 22241 B17R2.41893 Nc1cnccc1SCc2cncc(c2)F 62a_100000725299_100000756074 [0,2,0,0,0,0|2,0,0]=4 22242 B17R2.41893 Nc1cnccc1SCc2cncc(c2)F 62a_100000756074_100000725299 [0,2,0,0,0,0|2,0,0]=4 22243 B17R2.41893 Nc1cncnc1NCc2cncc(c2)Br 27a_100011249555_100000709731 [0,2,0,0,0,0|2,0,0]=4 22244 B17R2.41893 Nc1cncnc1NCc2cncc(c2)Cl 27a_200020614424_100000709731 [0,2,0,0,0,0|2,0,0]=4 22245 B17R2.41893 Nc1cncnc1NCc2cncc(c2)F 27a_100011962886_100000709731 [0,2,0,0,0,0|2,0,0]=4 22246 B17R2.41893 Nc1nccc(n1)NCc2cccnc2Br 27a_100009818023_100000055538 [0,2,0,0,0,0|2,0,0]=4 22247 B17R2.41893 Nc1nccc(n1)NCc2cccnc2Cl 27a_100015189234_100000055538 [0,2,0,0,0,0|2,0,0]=4 22248 B17R2.41893 Nc1nccc(n1)NCc2cccnc2F 27a_100000724633_100000055538 [0,2,0,0,0,0|2,0,0]=4 22249 B17R2.41893 Nc1ncccc1C=Cc2cccc(c2)Cl 271570a_100102525933_100000045569 [0,2,0,0,0,0|1,0,1]=4 22250 B17R2.41893 Nc1ncccc1C=Cc2cccc(c2)F 271570a_100102525537_100000045569 [0,2,0,0,0,0|1,0,1]=4 22251 B17R2.41893 Nc1ncccc1NCc2cccc(c2)O 271570a_203496583355_200006009125 [0,2,0,0,0,0|2,0,0]=4 22252 B17R2.41893 Nc1ncccc1OCc2cccc(c2)Br 34a_100000211975_100000698116 [0,2,0,0,0,0|2,0,0]=4 22253 B17R2.41893 Nc1ncccc1OCc2cccc(c2)Br 7a_100000211975_100000211773 [0,2,0,0,0,0|2,0,0]=4 22254 B17R2.41893 Nc1ncccc1OCc2cccc(c2)Cl 34a_100000211975_100000187163 [0,2,0,0,0,0|2,0,0]=4 22255 B17R2.41893 Nc1ncccc1OCc2cccc(c2)Cl 7a_100000211975_100000187163 [0,2,0,0,0,0|2,0,0]=4 22256 B17R2.41893 Nc1ncccc1OCc2cccc(c2)F 34a_100000211975_100000187166 [0,2,0,0,0,0|2,0,0]=4 22257 B17R2.41893 Nc1ncccc1OCc2cccc(c2)F 7a_100000211975_100000230114 [0,2,0,0,0,0|2,0,0]=4 22258 B17R2.41893 Nc1ncccc1OCc2cccc(c2)I 34a_100000211975_100011218688 [0,2,0,0,0,0|2,0,0]=4 22259 B17R2.41893 Nc1ncccc1OCc2cccc(c2)I 7a_100000211975_100011218688 [0,2,0,0,0,0|2,0,0]=4 22260 B17R2.41893 Nc1ncccc1OCc2cccc(c2)O 34a_100000211975_100011660834 [0,2,0,0,0,0|2,0,0]=4 22261 B17R2.41893 Nc1ncccc1OCc2cccc(c2)O 7a_100000211975_100000084143 [0,2,0,0,0,0|2,0,0]=4 22262 B17R2.41893 Nc1ncccc1OCc2cncc(c2)Br 34a_100000211975_100000738771 [0,2,0,0,0,0|2,0,0]=4 22263 B17R2.41893 Nc1ncccc1OCc2cncc(c2)Br 7a_100000211975_100000738771 [0,2,0,0,0,0|2,0,0]=4 22264 B17R2.41893 Nc1ncccc1OCc2cncc(c2)Cl 34a_100000211975_100016992070 [0,2,0,0,0,0|2,0,0]=4 22265 B17R2.41893 Nc1ncccc1OCc2cncc(c2)Cl 7a_100000211975_100016992070 [0,2,0,0,0,0|2,0,0]=4 22266 B17R2.41893 Nc1ncccc1OCc2cncc(c2)F 34a_100000211975_100000725299 [0,2,0,0,0,0|2,0,0]=4 22267 B17R2.41893 Nc1ncccc1OCc2cncc(c2)F 7a_100000211975_100000725299 [0,2,0,0,0,0|2,0,0]=4 22268 B17R2.41893 Nc1ncccc1SCc2cccc(c2)Br 62a_100000045569_100000211773 [0,2,0,0,0,0|2,0,0]=4 22269 B17R2.41893 Nc1ncccc1SCc2cccc(c2)Br 62a_100000211773_100000045569 [0,2,0,0,0,0|2,0,0]=4 22270 B17R2.41893 Nc1ncccc1SCc2cccc(c2)Cl 62a_100000045569_100000187163 [0,2,0,0,0,0|2,0,0]=4 22271 B17R2.41893 Nc1ncccc1SCc2cccc(c2)Cl 62a_100000187163_100000045569 [0,2,0,0,0,0|2,0,0]=4 22272 B17R2.41893 Nc1ncccc1SCc2cccc(c2)F 62a_100000045569_100000230114 [0,2,0,0,0,0|2,0,0]=4 22273 B17R2.41893 Nc1ncccc1SCc2cccc(c2)F 62a_100000230114_100000045569 [0,2,0,0,0,0|2,0,0]=4 22274 B17R2.41893 Nc1ncccc1SCc2cccc(c2)I 62a_100000045569_100011218688 [0,2,0,0,0,0|2,0,0]=4 22275 B17R2.41893 Nc1ncccc1SCc2cccc(c2)I 62a_100011218688_100000045569 [0,2,0,0,0,0|2,0,0]=4 22276 B17R2.41893 Nc1ncccc1SCc2cccc(c2)O 62a_100000045569_100011660834 [0,2,0,0,0,0|2,0,0]=4 22277 B17R2.41893 Nc1ncccc1SCc2cccc(c2)O 62a_100011660834_100000045569 [0,2,0,0,0,0|2,0,0]=4 22278 B17R2.41893 Nc1ncccc1SCc2cncc(c2)Br 62a_100000045569_100000738771 [0,2,0,0,0,0|2,0,0]=4 22279 B17R2.41893 Nc1ncccc1SCc2cncc(c2)Br 62a_100000738771_100000045569 [0,2,0,0,0,0|2,0,0]=4 22280 B17R2.41893 Nc1ncccc1SCc2cncc(c2)Cl 62a_100000045569_100016992070 [0,2,0,0,0,0|2,0,0]=4 22281 B17R2.41893 Nc1ncccc1SCc2cncc(c2)Cl 62a_100016992070_100000045569 [0,2,0,0,0,0|2,0,0]=4 22282 B17R2.41893 Nc1ncccc1SCc2cncc(c2)F 62a_100000045569_100000725299 [0,2,0,0,0,0|2,0,0]=4 22283 B17R2.41893 Nc1ncccc1SCc2cncc(c2)F 62a_100000725299_100000045569 [0,2,0,0,0,0|2,0,0]=4 22284 B17R2.41893 O=c1[nH]nccc1NCc2cncc(c2)Br 27a_100011249555_100000087129 [0,2,0,0,0,0|2,0,0]=4 22285 B17R2.41893 O=c1[nH]nccc1NCc2cncc(c2)Cl 27a_200020614424_100000087129 [0,2,0,0,0,0|2,0,0]=4 22286 B17R2.41893 O=c1[nH]nccc1NCc2cncc(c2)F 27a_100011962886_100000087129 [0,2,0,0,0,0|2,0,0]=4 22287 B17R2.41893 O=c1cc(cc[nH]1)NCc2ccccc2Br 27a_100000689332_100000061649 [0,2,0,0,0,0|2,0,0]=4 22288 B17R2.41893 O=c1cc(cc[nH]1)NCc2ccccc2Cl 27a_100000174879_100000061649 [0,2,0,0,0,0|2,0,0]=4 22289 B17R2.41893 O=c1cc(cc[nH]1)NCc2ccccc2F 27a_100000174869_100000061649 [0,2,0,0,0,0|2,0,0]=4 22290 B17R2.41893 O=c1cc(cc[nH]1)NCc2ccccc2I 27a_100015347259_100000061649 [0,2,0,0,0,0|2,0,0]=4 22291 B17R2.41893 O=c1cc(cc[nH]1)NCc2ccccc2O 27a_100000185550_100000061649 [0,2,0,0,0,0|2,0,0]=4 22292 B17R2.41893 O=c1cc(cc[nH]1)NCc2cccnc2Br 27a_100009818023_100000061649 [0,2,0,0,0,0|1,0,0]=3 22293 B17R2.41893 O=c1cc(cc[nH]1)NCc2cccnc2Cl 27a_100015189234_100000061649 [0,2,0,0,0,0|1,0,0]=3 22294 B17R2.41893 O=c1cc(cc[nH]1)NCc2cccnc2F 27a_100000724633_100000061649 [0,2,0,0,0,0|1,0,0]=3 22295 B17R2.41893 O=c1cc(cc[nH]1)NCc2nccnc2Cl 27a_100000729963_100000061649 [0,2,0,0,0,0|2,0,0]=4 22296 B17R2.41893 O=c1cc(cc[nH]1)OCc2cccnc2Br 34a_100000032262_100010140945 [0,2,0,0,0,0|2,0,0]=4 22297 B17R2.41893 O=c1cc(cc[nH]1)OCc2cccnc2Cl 34a_100000032262_100000045678 [0,2,0,0,0,0|2,0,0]=4 22298 B17R2.41893 O=c1cc(cc[nH]1)OCc2cccnc2F 34a_100000032262_100000099810 [0,2,0,0,0,0|2,0,0]=4 22299 B17R2.41893 O=c1cc(cc[nH]1)SCc2cccnc2Br 62a_100009816521_100010140945 [0,2,0,0,0,0|2,0,0]=4 22300 B17R2.41893 O=c1cc(cc[nH]1)SCc2cccnc2Br 62a_100010140945_100009816521 [0,2,0,0,0,0|2,0,0]=4 22301 B17R2.41893 O=c1cc(cc[nH]1)SCc2cccnc2Cl 62a_100000045678_100009816521 [0,2,0,0,0,0|2,0,0]=4 22302 B17R2.41893 O=c1cc(cc[nH]1)SCc2cccnc2Cl 62a_100009816521_100000045678 [0,2,0,0,0,0|2,0,0]=4 22303 B17R2.41893 O=c1cc(cc[nH]1)SCc2cccnc2F 62a_100000099810_100009816521 [0,2,0,0,0,0|2,0,0]=4 22304 B17R2.41893 O=c1cc(cc[nH]1)SCc2cccnc2F 62a_100009816521_100000099810 [0,2,0,0,0,0|2,0,0]=4 22305 B17R2.41893 O=c1cc[nH]c(c1)SCc2cccnc2Br 62a_100009817434_100010140945 [0,2,0,0,0,0|2,0,0]=4 22306 B17R2.41893 O=c1cc[nH]c(c1)SCc2cccnc2Cl 62a_100009817434_100000045678 [0,2,0,0,0,0|2,0,0]=4 22307 B17R2.41893 O=c1cc[nH]c(c1)SCc2cccnc2F 62a_100009817434_100000099810 [0,2,0,0,0,0|2,0,0]=4 22308 B17R2.41893 O=c1cc[nH]cc1SCc2cncc(c2)Br 62a_100000738771_100009998708 [0,2,0,0,0,0|2,0,0]=4 22309 B17R2.41893 O=c1cc[nH]cc1SCc2cncc(c2)Br 62a_100009998708_100000738771 [0,2,0,0,0,0|2,0,0]=4 22310 B17R2.41893 O=c1cc[nH]cc1SCc2cncc(c2)Cl 62a_100009998708_100016992070 [0,2,0,0,0,0|2,0,0]=4 22311 B17R2.41893 O=c1cc[nH]cc1SCc2cncc(c2)Cl 62a_100016992070_100009998708 [0,2,0,0,0,0|2,0,0]=4 22312 B17R2.41893 O=c1cc[nH]cc1SCc2cncc(c2)F 62a_100000725299_100009998708 [0,2,0,0,0,0|2,0,0]=4 22313 B17R2.41893 O=c1cc[nH]cc1SCc2cncc(c2)F 62a_100009998708_100000725299 [0,2,0,0,0,0|2,0,0]=4 22314 B17R2.41893 O=c1cccc([nH]1)CNc2ccccc2Br 207a_100000210017_100011935257 [0,2,0,0,0,0|2,0,0]=4 22315 B17R2.41893 O=c1cccc([nH]1)CNc2ccccc2Cl 207a_100000185783_100011935257 [0,2,0,0,0,0|2,0,0]=4 22316 B17R2.41893 O=c1cccc([nH]1)CNc2ccccc2F 207a_100000210422_100011935257 [0,2,0,0,0,0|2,0,0]=4 22317 B17R2.41893 O=c1cccc([nH]1)CNc2ccccc2I 207a_100000210053_100011935257 [0,2,0,0,0,0|2,0,0]=4 22318 B17R2.41893 O=c1cccc([nH]1)OCc2cccnc2Br 34a_100000033347_100010140945 [0,2,0,0,0,0|2,0,0]=4 22319 B17R2.41893 O=c1cccc([nH]1)OCc2cccnc2Cl 34a_100000033347_100000045678 [0,2,0,0,0,0|2,0,0]=4 22320 B17R2.41893 O=c1cccc([nH]1)OCc2cccnc2F 34a_100000033347_100000099810 [0,2,0,0,0,0|2,0,0]=4 22321 B17R2.41893 O=c1cccc([nH]1)SCc2cccnc2Br 62a_100010140945_100000752884 [0,2,0,0,0,0|2,0,0]=4 22322 B17R2.41893 O=c1cccc([nH]1)SCc2cccnc2Cl 62a_100000045678_100000752884 [0,2,0,0,0,0|2,0,0]=4 22323 B17R2.41893 O=c1cccc([nH]1)SCc2cccnc2F 62a_100000099810_100000752884 [0,2,0,0,0,0|2,0,0]=4 22324 B17R2.41893 O=c1ccocc1OCc2cncc(c2)Br 34a_100000060831_100000738771 [0,2,0,0,0,0|2,0,0]=4 22325 B17R2.41893 O=c1ccocc1OCc2cncc(c2)Cl 34a_100000060831_100016992070 [0,2,0,0,0,0|2,0,0]=4 22326 B17R2.41893 O=c1ccocc1OCc2cncc(c2)F 34a_100000060831_100000725299 [0,2,0,0,0,0|2,0,0]=4 22327 B17R2.41893 O=c1nc(cc[nH]1)NCc2cccnc2Br 27a_100009818023_200000134032 [0,2,0,0,0,0|2,0,0]=4 22328 B17R2.41893 O=c1nc(cc[nH]1)NCc2cccnc2Cl 27a_100015189234_200000134032 [0,2,0,0,0,0|2,0,0]=4 22329 B17R2.41893 O=c1nc(cc[nH]1)NCc2cccnc2F 27a_100000724633_200000134032 [0,2,0,0,0,0|2,0,0]=4 22330 B17R2.41893 O=c1occcc1OCc2cncc(c2)Br 34a_100000077404_100000738771 [0,2,0,0,0,0|2,0,0]=4 22331 B17R2.41893 O=c1occcc1OCc2cncc(c2)Br 7a_100000077404_100000738771 [0,2,0,0,0,0|2,0,0]=4 22332 B17R2.41893 O=c1occcc1OCc2cncc(c2)Cl 34a_100000077404_100016992070 [0,2,0,0,0,0|2,0,0]=4 22333 B17R2.41893 O=c1occcc1OCc2cncc(c2)Cl 7a_100000077404_100016992070 [0,2,0,0,0,0|2,0,0]=4 22334 B17R2.41893 O=c1occcc1OCc2cncc(c2)F 34a_100000077404_100000725299 [0,2,0,0,0,0|2,0,0]=4 22335 B17R2.41893 O=c1occcc1OCc2cncc(c2)F 7a_100000077404_100000725299 [0,2,0,0,0,0|2,0,0]=4 22336 B17R2.41893 Oc1cc(ccn1)CNc2ccccc2Br 207a_100000210017_100000688113 [0,2,0,0,0,0|2,0,0]=4 22337 B17R2.41893 Oc1cc(ccn1)CNc2ccccc2Cl 207a_100000185783_100000688113 [0,2,0,0,0,0|2,0,0]=4 22338 B17R2.41893 Oc1cc(ccn1)CNc2ccccc2F 207a_100000210422_100000688113 [0,2,0,0,0,0|2,0,0]=4 22339 B17R2.41893 Oc1cc(ccn1)CNc2ccccc2I 207a_100000210053_100000688113 [0,2,0,0,0,0|2,0,0]=4 22340 B17R2.41893 Oc1cc(ncn1)NCc2cccnc2Br 27a_100009818023_100000765262 [0,2,0,0,0,0|2,0,0]=4 22341 B17R2.41893 Oc1cc(ncn1)NCc2cccnc2Cl 27a_100015189234_100000765262 [0,2,0,0,0,0|2,0,0]=4 22342 B17R2.41893 Oc1cc(ncn1)NCc2cccnc2F 27a_100000724633_100000765262 [0,2,0,0,0,0|2,0,0]=4 22343 B17R2.41893 Oc1cccc(c1)CNc2ccccc2Br 207a_100000210017_100000188321 [0,2,0,0,0,0|1,0,0]=3 22344 B17R2.41893 Oc1cccc(c1)CNc2ccccc2Br 34a_100000210017_100011660834 [0,2,0,0,0,0|1,0,0]=3 22345 B17R2.41893 Oc1cccc(c1)CNc2ccccc2Cl 207a_100000185783_100000188321 [0,2,0,0,0,0|1,0,0]=3 22346 B17R2.41893 Oc1cccc(c1)CNc2ccccc2Cl 34a_100000185783_100011660834 [0,2,0,0,0,0|1,0,0]=3 22347 B17R2.41893 Oc1cccc(c1)CNc2ccccc2F 207a_100000210422_100000188321 [0,2,0,0,0,0|1,0,0]=3 22348 B17R2.41893 Oc1cccc(c1)CNc2ccccc2F 34a_100000210422_100011660834 [0,2,0,0,0,0|1,0,0]=3 22349 B17R2.41893 Oc1cccc(c1)CNc2ccccc2I 207a_100000210053_100000188321 [0,2,0,0,0,0|1,0,0]=3 22350 B17R2.41893 Oc1cccc(c1)CNc2ccccc2I 34a_100000210053_100011660834 [0,2,0,0,0,0|1,0,0]=3 22351 B17R2.41893 Oc1cccc(c1)CNc2ccccc2O 34a_100000185747_100011660834 [0,2,0,0,0,0|1,0,0]=3 22352 B17R2.41893 Oc1cccc(c1)CNc2ccncc2Br 27a_100000743036_100000726257 [0,2,0,0,0,0|2,0,0]=4 22353 B17R2.41893 Oc1cccc(c1)CNc2ccncc2F 27a_100000743036_100000035921 [0,2,0,0,0,0|2,0,0]=4 22354 B17R2.41893 Oc1cccc(c1)CNc2ncccc2Br 27a_100000743036_100000696092 [0,2,0,0,0,0|2,0,0]=4 22355 B17R2.41893 Oc1cccc(c1)COc2ccccc2Br 34a_100000181306_100011660834 [0,2,0,0,0,0|2,0,0]=4 22356 B17R2.41893 Oc1cccc(c1)COc2ccccc2Br 7a_100000181306_100000084143 [0,2,0,0,0,0|2,0,0]=4 22357 B17R2.41893 Oc1cccc(c1)COc2ccccc2Cl 34a_100000210172_100011660834 [0,2,0,0,0,0|2,0,0]=4 22358 B17R2.41893 Oc1cccc(c1)COc2ccccc2Cl 7a_100000210172_100000084143 [0,2,0,0,0,0|2,0,0]=4 22359 B17R2.41893 Oc1cccc(c1)COc2ccccc2F 34a_100000210171_100011660834 [0,2,0,0,0,0|2,0,0]=4 22360 B17R2.41893 Oc1cccc(c1)COc2ccccc2F 7a_100000210171_100000084143 [0,2,0,0,0,0|2,0,0]=4 22361 B17R2.41893 Oc1cccc(c1)COc2ccccc2I 34a_100000739446_100011660834 [0,2,0,0,0,0|2,0,0]=4 22362 B17R2.41893 Oc1cccc(c1)COc2ccccc2I 7a_100000739446_100000084143 [0,2,0,0,0,0|2,0,0]=4 22363 B17R2.41893 Oc1cccc(c1)COc2cccnc2Br 34a_100000744436_100011660834 [0,2,0,0,0,0|2,0,0]=4 22364 B17R2.41893 Oc1cccc(c1)COc2cccnc2Br 7a_100000744436_100000084143 [0,2,0,0,0,0|2,0,0]=4 22365 B17R2.41893 Oc1cccc(c1)COc2cccnc2Cl 34a_100000757616_100011660834 [0,2,0,0,0,0|2,0,0]=4 22366 B17R2.41893 Oc1cccc(c1)COc2cccnc2Cl 7a_100000757616_100000084143 [0,2,0,0,0,0|2,0,0]=4 22367 B17R2.41893 Oc1cccc(c1)COc2cccnc2F 34a_100000061740_100011660834 [0,2,0,0,0,0|2,0,0]=4 22368 B17R2.41893 Oc1cccc(c1)COc2cccnc2F 7a_100000061740_100000084143 [0,2,0,0,0,0|2,0,0]=4 22369 B17R2.41893 Oc1cccc(c1)COc2cccnc2I 34a_100000034122_100011660834 [0,2,0,0,0,0|2,0,0]=4 22370 B17R2.41893 Oc1cccc(c1)COc2cccnc2I 7a_100000034122_100000084143 [0,2,0,0,0,0|2,0,0]=4 22371 B17R2.41893 Oc1cccc(c1)COc2cnccc2Cl 34a_100011996695_100011660834 [0,2,0,0,0,0|2,0,0]=4 22372 B17R2.41893 Oc1cccc(c1)COc2cnccc2I 34a_100000050107_100011660834 [0,2,0,0,0,0|2,0,0]=4 22373 B17R2.41893 Oc1cccc(c1)CSc2ccccc2Br 62a_100000695589_100011660834 [0,2,0,0,0,0|2,0,0]=4 22374 B17R2.41893 Oc1cccc(c1)CSc2ccccc2Br 62a_100011660834_100000695589 [0,2,0,0,0,0|2,0,0]=4 22375 B17R2.41893 Oc1cccc(c1)CSc2ccccc2Cl 62a_100000764095_100011660834 [0,2,0,0,0,0|2,0,0]=4 22376 B17R2.41893 Oc1cccc(c1)CSc2ccccc2Cl 62a_100011660834_100000764095 [0,2,0,0,0,0|2,0,0]=4 22377 B17R2.41893 Oc1cccc(c1)CSc2ccccc2F 62a_100011215700_100011660834 [0,2,0,0,0,0|2,0,0]=4 22378 B17R2.41893 Oc1cccc(c1)CSc2ccccc2F 62a_100011660834_100011215700 [0,2,0,0,0,0|2,0,0]=4 22379 B17R2.41893 Oc1cccc(c1)CSc2ccccc2O 62a_100000739446_100011660834 [0,2,0,0,0,0|2,0,0]=4 22380 B17R2.41893 Oc1cccc(c1)CSc2ccccc2O 62a_100011660834_100000739446 [0,2,0,0,0,0|2,0,0]=4 22381 B17R2.41893 Oc1cccc(c1)CSc2cccnc2Br 62a_100010202626_100011660834 [0,2,0,0,0,0|2,0,0]=4 22382 B17R2.41893 Oc1cccc(c1)CSc2cccnc2Br 62a_100011660834_100010202626 [0,2,0,0,0,0|2,0,0]=4 22383 B17R2.41893 Oc1cccc(c1)CSc2cccnc2Cl 62a_100000036424_100011660834 [0,2,0,0,0,0|2,0,0]=4 22384 B17R2.41893 Oc1cccc(c1)CSc2cccnc2Cl 62a_100011660834_100000036424 [0,2,0,0,0,0|2,0,0]=4 22385 B17R2.41893 Oc1cccc(c1)CSc2cccnc2F 62a_100009816115_100011660834 [0,2,0,0,0,0|2,0,0]=4 22386 B17R2.41893 Oc1cccc(c1)CSc2cccnc2F 62a_100011660834_100009816115 [0,2,0,0,0,0|2,0,0]=4 22387 B17R2.41893 Oc1cccc(c1)CSc2cccnc2O 62a_100000760158_100011660834 [0,2,0,0,0,0|2,0,0]=4 22388 B17R2.41893 Oc1cccc(c1)CSc2cccnc2O 62a_100011660834_100000760158 [0,2,0,0,0,0|2,0,0]=4 22389 B17R2.41893 Oc1cccc(c1)CSc2cnccc2Br 62a_100010138639_100011660834 [0,2,0,0,0,0|2,0,0]=4 22390 B17R2.41893 Oc1cccc(c1)CSc2cnccc2Br 62a_100011660834_100010138639 [0,2,0,0,0,0|2,0,0]=4 22391 B17R2.41893 Oc1cccc(c1)CSc2cnccc2Cl 62a_100009995489_100011660834 [0,2,0,0,0,0|2,0,0]=4 22392 B17R2.41893 Oc1cccc(c1)CSc2cnccc2Cl 62a_100011660834_100009995489 [0,2,0,0,0,0|2,0,0]=4 22393 B17R2.41893 Oc1cccc(c1)CSc2cnccc2F 62a_100009820683_100011660834 [0,2,0,0,0,0|2,0,0]=4 22394 B17R2.41893 Oc1cccc(c1)CSc2cnccc2F 62a_100011660834_100009820683 [0,2,0,0,0,0|2,0,0]=4 22395 B17R2.41893 Oc1cccc(c1)NCc2ccccc2Br 270302a_100000210217_100000211189 [0,2,0,0,0,0|1,0,0]=3 22396 B17R2.41893 Oc1cccc(c1)NCc2ccccc2Br 34a_100000210217_100000184730 [0,2,0,0,0,0|1,0,0]=3 22397 B17R2.41893 Oc1cccc(c1)NCc2ccccc2Cl 270302a_100000210217_100000210073 [0,2,0,0,0,0|1,0,0]=3 22398 B17R2.41893 Oc1cccc(c1)NCc2ccccc2Cl 34a_100000210217_100000187162 [0,2,0,0,0,0|1,0,0]=3 22399 B17R2.41893 Oc1cccc(c1)NCc2ccccc2F 270302a_100000210217_100000210811 [0,2,0,0,0,0|1,0,0]=3 22400 B17R2.41893 Oc1cccc(c1)NCc2ccccc2F 34a_100000210217_100000211605 [0,2,0,0,0,0|1,0,0]=3 22401 B17R2.41893 Oc1cccc(c1)NCc2ccccc2I 34a_100000210217_100011215278 [0,2,0,0,0,0|1,0,0]=3 22402 B17R2.41893 Oc1cccc(c1)NCc2ccccc2O 270302a_100000210217_100000185834 [0,2,0,0,0,0|1,0,0]=3 22403 B17R2.41893 Oc1cccc(c1)NCc2cccnc2Br 34a_100000210217_100010140945 [0,2,0,0,0,0|0,0,0]=2 22404 B17R2.41893 Oc1cccc(c1)NCc2cccnc2Cl 34a_100000210217_100000045678 [0,2,0,0,0,0|0,0,0]=2 22405 B17R2.41893 Oc1cccc(c1)NCc2cccnc2F 34a_100000210217_100000099810 [0,2,0,0,0,0|0,0,0]=2 22406 B17R2.41893 Oc1cccc(c1)NCc2cccnc2O 270302a_100000210217_100011998315 [0,2,0,0,0,0|0,0,0]=2 22407 B17R2.41893 Oc1cccc(c1)NCc2ncccc2Br 34a_100000210217_100025702911 [0,2,0,0,0,0|2,0,0]=4 22408 B17R2.41893 Oc1cccc(c1)NCc2ncccc2F 34a_100000210217_100000104219 [0,2,0,0,0,0|2,0,0]=4 22409 B17R2.41893 Oc1cccc(c1)NCc2ncccc2O 34a_100000210217_200020655725 [0,2,0,0,0,0|2,0,0]=4 22410 B17R2.41893 Oc1cccc(c1)SCc2ccccc2Br 62a_100000184730_100000211634 [0,2,0,0,0,0|2,0,0]=4 22411 B17R2.41893 Oc1cccc(c1)SCc2ccccc2Cl 62a_100000187162_100000211634 [0,2,0,0,0,0|2,0,0]=4 22412 B17R2.41893 Oc1cccc(c1)SCc2ccccc2F 62a_100000211605_100000211634 [0,2,0,0,0,0|2,0,0]=4 22413 B17R2.41893 Oc1cccc(c1)SCc2ccccc2I 62a_100011216222_100000211634 [0,2,0,0,0,0|2,0,0]=4 22414 B17R2.41893 Oc1cccc(c1)SCc2cccnc2Br 62a_100010140945_100000211634 [0,2,0,0,0,0|1,0,0]=3 22415 B17R2.41893 Oc1cccc(c1)SCc2cccnc2Cl 62a_100000045678_100000211634 [0,2,0,0,0,0|1,0,0]=3 22416 B17R2.41893 Oc1cccc(c1)SCc2cccnc2F 62a_100000099810_100000211634 [0,2,0,0,0,0|1,0,0]=3 22417 B17R2.41893 Oc1ccccc1CNc2cc(ccn2)F 27a_100000185550_100000764206 [0,2,0,0,0,0|2,0,0]=4 22418 B17R2.41893 Oc1ccccc1CNc2cccc(c2)Br 270302a_100000210019_100000185834 [0,2,0,0,0,0|1,0,0]=3 22419 B17R2.41893 Oc1ccccc1CNc2cccc(c2)Cl 270302a_100000185859_100000185834 [0,2,0,0,0,0|1,0,0]=3 22420 B17R2.41893 Oc1ccccc1CNc2cccc(c2)F 270302a_100000210047_100000185834 [0,2,0,0,0,0|1,0,0]=3 22421 B17R2.41893 Oc1ccccc1CNc2cccc(c2)I 270302a_100000211102_100000185834 [0,2,0,0,0,0|1,0,0]=3 22422 B17R2.41893 Oc1ccccc1CNc2cccc(n2)F 27a_100000185550_100009815982 [0,2,0,0,0,0|2,0,0]=4 22423 B17R2.41893 Oc1ccccc1CNc2ccnc(c2)F 27a_100000185550_100009816116 [0,2,0,0,0,0|2,0,0]=4 22424 B17R2.41893 Oc1ccccc1NCc2cc(ccn2)Br 34a_100000185747_100010173614 [0,2,0,0,0,0|2,0,0]=4 22425 B17R2.41893 Oc1ccccc1NCc2cc(ccn2)Cl 34a_100000185747_100016988179 [0,2,0,0,0,0|2,0,0]=4 22426 B17R2.41893 Oc1ccccc1NCc2cccc(c2)Br 34a_100000185747_100000698116 [0,2,0,0,0,0|1,0,0]=3 22427 B17R2.41893 Oc1ccccc1NCc2cccc(c2)Cl 34a_100000185747_100000187163 [0,2,0,0,0,0|1,0,0]=3 22428 B17R2.41893 Oc1ccccc1NCc2cccc(c2)F 34a_100000185747_100000187166 [0,2,0,0,0,0|1,0,0]=3 22429 B17R2.41893 Oc1ccccc1NCc2cccc(c2)I 34a_100000185747_100011218688 [0,2,0,0,0,0|1,0,0]=3 22430 B17R2.41893 Oc1ccccc1NCc2cccc(n2)Br 34a_100000185747_100009889011 [0,2,0,0,0,0|2,0,0]=4 22431 B17R2.41893 Oc1ccccc1NCc2cccc(n2)Cl 34a_100000185747_100000086093 [0,2,0,0,0,0|2,0,0]=4 22432 B17R2.41893 Oc1ccccc1NCc2cccc(n2)F 34a_100000185747_100009819644 [0,2,0,0,0,0|2,0,0]=4 22433 B17R2.41893 Oc1ccccc1NCc2ccnc(c2)Br 34a_100000185747_100010243470 [0,2,0,0,0,0|2,0,0]=4 22434 B17R2.41893 Oc1ccccc1NCc2ccnc(c2)Cl 34a_100000185747_100000764220 [0,2,0,0,0,0|2,0,0]=4 22435 B17R2.41893 Oc1ccccc1NCc2cncc(c2)Br 34a_100000185747_100000738771 [0,2,0,0,0,0|0,0,0]=2 22436 B17R2.41893 Oc1ccccc1NCc2cncc(c2)Cl 34a_100000185747_100016992070 [0,2,0,0,0,0|0,0,0]=2 22437 B17R2.41893 Oc1ccccc1NCc2cncc(c2)F 34a_100000185747_100000725299 [0,2,0,0,0,0|0,0,0]=2 22438 B17R2.41893 Oc1ccccc1SCc2cccc(c2)Br 62a_100000211773_100000739446 [0,2,0,0,0,0|2,0,0]=4 22439 B17R2.41893 Oc1ccccc1SCc2cccc(c2)Br 62a_100000739446_100000211773 [0,2,0,0,0,0|2,0,0]=4 22440 B17R2.41893 Oc1ccccc1SCc2cccc(c2)Cl 62a_100000187163_100000739446 [0,2,0,0,0,0|2,0,0]=4 22441 B17R2.41893 Oc1ccccc1SCc2cccc(c2)Cl 62a_100000739446_100000187163 [0,2,0,0,0,0|2,0,0]=4 22442 B17R2.41893 Oc1ccccc1SCc2cccc(c2)F 62a_100000230114_100000739446 [0,2,0,0,0,0|2,0,0]=4 22443 B17R2.41893 Oc1ccccc1SCc2cccc(c2)F 62a_100000739446_100000230114 [0,2,0,0,0,0|2,0,0]=4 22444 B17R2.41893 Oc1ccccc1SCc2cccc(c2)I 62a_100000739446_100011218688 [0,2,0,0,0,0|2,0,0]=4 22445 B17R2.41893 Oc1ccccc1SCc2cccc(c2)I 62a_100011218688_100000739446 [0,2,0,0,0,0|2,0,0]=4 22446 B17R2.41893 Oc1ccccc1SCc2cncc(c2)Br 62a_100000738771_100000739446 [0,2,0,0,0,0|1,0,0]=3 22447 B17R2.41893 Oc1ccccc1SCc2cncc(c2)Br 62a_100000739446_100000738771 [0,2,0,0,0,0|1,0,0]=3 22448 B17R2.41893 Oc1ccccc1SCc2cncc(c2)Cl 62a_100000739446_100016992070 [0,2,0,0,0,0|1,0,0]=3 22449 B17R2.41893 Oc1ccccc1SCc2cncc(c2)Cl 62a_100016992070_100000739446 [0,2,0,0,0,0|1,0,0]=3 22450 B17R2.41893 Oc1ccccc1SCc2cncc(c2)F 62a_100000725299_100000739446 [0,2,0,0,0,0|1,0,0]=3 22451 B17R2.41893 Oc1ccccc1SCc2cncc(c2)F 62a_100000739446_100000725299 [0,2,0,0,0,0|1,0,0]=3 22452 B17R2.41893 Oc1cccnc1CNc2cccc(c2)Br 34a_100000210019_200020655725 [0,2,0,0,0,0|2,0,0]=4 22453 B17R2.41893 Oc1cccnc1CNc2cccc(c2)Cl 34a_100000185859_200020655725 [0,2,0,0,0,0|2,0,0]=4 22454 B17R2.41893 Oc1cccnc1CNc2cccc(c2)F 34a_100000210047_200020655725 [0,2,0,0,0,0|2,0,0]=4 22455 B17R2.41893 Oc1cccnc1CNc2cccc(c2)I 34a_100000211102_200020655725 [0,2,0,0,0,0|2,0,0]=4 22456 B17R2.41893 Oc1cccnc1SCc2cncc(c2)Br 62a_100000034122_100000738771 [0,2,0,0,0,0|2,0,0]=4 22457 B17R2.41893 Oc1cccnc1SCc2cncc(c2)Br 62a_100000738771_100000034122 [0,2,0,0,0,0|2,0,0]=4 22458 B17R2.41893 Oc1cccnc1SCc2cncc(c2)Cl 62a_100000034122_100016992070 [0,2,0,0,0,0|2,0,0]=4 22459 B17R2.41893 Oc1cccnc1SCc2cncc(c2)Cl 62a_100016992070_100000034122 [0,2,0,0,0,0|2,0,0]=4 22460 B17R2.41893 Oc1cccnc1SCc2cncc(c2)F 62a_100000034122_100000725299 [0,2,0,0,0,0|2,0,0]=4 22461 B17R2.41893 Oc1cccnc1SCc2cncc(c2)F 62a_100000725299_100000034122 [0,2,0,0,0,0|2,0,0]=4 22462 B17R2.41893 Oc1ccnc(c1)SCc2cccnc2Br 62a_100010140945_100000762945 [0,2,0,0,0,0|2,0,0]=4 22463 B17R2.41893 Oc1ccnc(c1)SCc2cccnc2Cl 62a_100000045678_100000762945 [0,2,0,0,0,0|2,0,0]=4 22464 B17R2.41893 Oc1ccnc(c1)SCc2cccnc2F 62a_100000099810_100000762945 [0,2,0,0,0,0|2,0,0]=4 22465 B17R2.41893 Oc1ccnc(n1)NCc2cccnc2Br 27a_100009818023_100011649813 [0,2,0,0,0,0|2,0,0]=4 22466 B17R2.41893 Oc1ccnc(n1)NCc2cccnc2Cl 27a_100015189234_100011649813 [0,2,0,0,0,0|2,0,0]=4 22467 B17R2.41893 Oc1ccnc(n1)NCc2cccnc2F 27a_100000724633_100011649813 [0,2,0,0,0,0|2,0,0]=4 22468 B17R2.41893 Oc1cncc(c1)C=Cc2ccccc2F 271570a_200102527919_100000754920 [0,2,0,0,0,0|1,0,1]=4 22469 B17R2.41893 Oc1cncc(c1)CNc2ccccc2Br 207a_100000210017_100012187055 [0,2,0,0,0,0|0,0,0]=2 22470 B17R2.41893 Oc1cncc(c1)CNc2ccccc2Cl 207a_100000185783_100012187055 [0,2,0,0,0,0|0,0,0]=2 22471 B17R2.41893 Oc1cncc(c1)CNc2ccccc2F 207a_100000210422_100012187055 [0,2,0,0,0,0|0,0,0]=2 22472 B17R2.41893 Oc1cncc(c1)CNc2ccccc2I 207a_100000210053_100012187055 [0,2,0,0,0,0|0,0,0]=2 22473 B17R2.41893 Oc1cncc(c1)SCc2ccccc2Br 62a_100000184730_100000754920 [0,2,0,0,0,0|2,0,0]=4 22474 B17R2.41893 Oc1cncc(c1)SCc2ccccc2Br 62a_100000754920_100000184730 [0,2,0,0,0,0|2,0,0]=4 22475 B17R2.41893 Oc1cncc(c1)SCc2ccccc2Cl 62a_100000187162_100000754920 [0,2,0,0,0,0|2,0,0]=4 22476 B17R2.41893 Oc1cncc(c1)SCc2ccccc2Cl 62a_100000754920_100000187162 [0,2,0,0,0,0|2,0,0]=4 22477 B17R2.41893 Oc1cncc(c1)SCc2ccccc2F 62a_100000211605_100000754920 [0,2,0,0,0,0|2,0,0]=4 22478 B17R2.41893 Oc1cncc(c1)SCc2ccccc2F 62a_100000754920_100000211605 [0,2,0,0,0,0|2,0,0]=4 22479 B17R2.41893 Oc1cncc(c1)SCc2ccccc2I 62a_100000754920_100011216222 [0,2,0,0,0,0|2,0,0]=4 22480 B17R2.41893 Oc1cncc(c1)SCc2ccccc2I 62a_100011216222_100000754920 [0,2,0,0,0,0|2,0,0]=4 22481 B17R2.41893 Oc1cncc(c1)SCc2cccnc2Br 62a_100000754920_100010140945 [0,2,0,0,0,0|2,0,0]=4 22482 B17R2.41893 Oc1cncc(c1)SCc2cccnc2Br 62a_100010140945_100000754920 [0,2,0,0,0,0|2,0,0]=4 22483 B17R2.41893 Oc1cncc(c1)SCc2cccnc2Cl 62a_100000045678_100000754920 [0,2,0,0,0,0|2,0,0]=4 22484 B17R2.41893 Oc1cncc(c1)SCc2cccnc2Cl 62a_100000754920_100000045678 [0,2,0,0,0,0|2,0,0]=4 22485 B17R2.41893 Oc1cncc(c1)SCc2cccnc2F 62a_100000099810_100000754920 [0,2,0,0,0,0|2,0,0]=4 22486 B17R2.41893 Oc1cncc(c1)SCc2cccnc2F 62a_100000754920_100000099810 [0,2,0,0,0,0|2,0,0]=4 22487 B17R2.41893 Oc1cnccc1SCc2cncc(c2)Br 62a_100000738771_100009817591 [0,2,0,0,0,0|2,0,0]=4 22488 B17R2.41893 Oc1cnccc1SCc2cncc(c2)Br 62a_100009817591_100000738771 [0,2,0,0,0,0|2,0,0]=4 22489 B17R2.41893 Oc1cnccc1SCc2cncc(c2)Cl 62a_100009817591_100016992070 [0,2,0,0,0,0|2,0,0]=4 22490 B17R2.41893 Oc1cnccc1SCc2cncc(c2)Cl 62a_100016992070_100009817591 [0,2,0,0,0,0|2,0,0]=4 22491 B17R2.41893 Oc1cnccc1SCc2cncc(c2)F 62a_100000725299_100009817591 [0,2,0,0,0,0|2,0,0]=4 22492 B17R2.41893 Oc1cnccc1SCc2cncc(c2)F 62a_100009817591_100000725299 [0,2,0,0,0,0|2,0,0]=4 22493 B17R2.41893 Oc1ncccc1CNc2cccc(c2)Br 207a_100000210019_100011998315 [0,2,0,0,0,0|0,0,0]=2 22494 B17R2.41893 Oc1ncccc1CNc2cccc(c2)Br 270302a_100000210019_100011998315 [0,2,0,0,0,0|0,0,0]=2 22495 B17R2.41893 Oc1ncccc1CNc2cccc(c2)Cl 207a_100000185859_100011998315 [0,2,0,0,0,0|0,0,0]=2 22496 B17R2.41893 Oc1ncccc1CNc2cccc(c2)Cl 270302a_100000185859_100011998315 [0,2,0,0,0,0|0,0,0]=2 22497 B17R2.41893 Oc1ncccc1CNc2cccc(c2)F 207a_100000210047_100011998315 [0,2,0,0,0,0|0,0,0]=2 22498 B17R2.41893 Oc1ncccc1CNc2cccc(c2)F 270302a_100000210047_100011998315 [0,2,0,0,0,0|0,0,0]=2 22499 B17R2.41893 Oc1ncccc1CNc2cccc(c2)I 207a_100000211102_100011998315 [0,2,0,0,0,0|0,0,0]=2 22500 B17R2.41893 Oc1ncccc1CNc2cccc(c2)I 270302a_100000211102_100011998315 [0,2,0,0,0,0|0,0,0]=2 22501 B17R2.41893 Oc1ncccc1SCc2cccc(c2)Br 62a_100000211773_100000760158 [0,2,0,0,0,0|2,0,0]=4 22502 B17R2.41893 Oc1ncccc1SCc2cccc(c2)Br 62a_100000760158_100000211773 [0,2,0,0,0,0|2,0,0]=4 22503 B17R2.41893 Oc1ncccc1SCc2cccc(c2)Cl 62a_100000187163_100000760158 [0,2,0,0,0,0|2,0,0]=4 22504 B17R2.41893 Oc1ncccc1SCc2cccc(c2)Cl 62a_100000760158_100000187163 [0,2,0,0,0,0|2,0,0]=4 22505 B17R2.41893 Oc1ncccc1SCc2cccc(c2)F 62a_100000230114_100000760158 [0,2,0,0,0,0|2,0,0]=4 22506 B17R2.41893 Oc1ncccc1SCc2cccc(c2)F 62a_100000760158_100000230114 [0,2,0,0,0,0|2,0,0]=4 22507 B17R2.41893 Oc1ncccc1SCc2cccc(c2)I 62a_100000760158_100011218688 [0,2,0,0,0,0|2,0,0]=4 22508 B17R2.41893 Oc1ncccc1SCc2cccc(c2)I 62a_100011218688_100000760158 [0,2,0,0,0,0|2,0,0]=4 22509 B17R2.41893 Oc1ncccc1SCc2cncc(c2)Br 62a_100000738771_100000760158 [0,2,0,0,0,0|2,0,0]=4 22510 B17R2.41893 Oc1ncccc1SCc2cncc(c2)Br 62a_100000760158_100000738771 [0,2,0,0,0,0|2,0,0]=4 22511 B17R2.41893 Oc1ncccc1SCc2cncc(c2)Cl 62a_100000760158_100016992070 [0,2,0,0,0,0|2,0,0]=4 22512 B17R2.41893 Oc1ncccc1SCc2cncc(c2)Cl 62a_100016992070_100000760158 [0,2,0,0,0,0|2,0,0]=4 22513 B17R2.41893 Oc1ncccc1SCc2cncc(c2)F 62a_100000725299_100000760158 [0,2,0,0,0,0|2,0,0]=4 22514 B17R2.41893 Oc1ncccc1SCc2cncc(c2)F 62a_100000760158_100000725299 [0,2,0,0,0,0|2,0,0]=4 22515 B17R2.41893 S=c1cc[nH]cc1SCc2cncc(c2)Br 62a_100000738771_200012280681 [0,2,0,0,0,0|2,0,0]=4 22516 B17R2.41893 S=c1cc[nH]cc1SCc2cncc(c2)Br 62a_200012280681_100000738771 [0,2,0,0,0,0|2,0,0]=4 22517 B17R2.41893 S=c1cc[nH]cc1SCc2cncc(c2)Cl 62a_100016992070_200012280681 [0,2,0,0,0,0|2,0,0]=4 22518 B17R2.41893 S=c1cc[nH]cc1SCc2cncc(c2)Cl 62a_200012280681_100016992070 [0,2,0,0,0,0|2,0,0]=4 22519 B17R2.41893 [O-][n+]1cccc(c1)OCc2cccnc2Br 34a_100000039713_100010140945 [0,2,0,0,0,0|2,0,0]=4 22520 B17R2.41893 [O-][n+]1cccc(c1)OCc2cccnc2Br 7a_100000039713_100010140945 [0,2,0,0,0,0|2,0,0]=4 22521 B17R2.41893 [O-][n+]1cccc(c1)OCc2cccnc2Cl 34a_100000039713_100000045678 [0,2,0,0,0,0|2,0,0]=4 22522 B17R2.41893 [O-][n+]1cccc(c1)OCc2cccnc2Cl 7a_100000039713_100000045678 [0,2,0,0,0,0|2,0,0]=4 22523 B17R2.41893 [O-][n+]1cccc(c1)OCc2cccnc2F 34a_100000039713_100000099810 [0,2,0,0,0,0|2,0,0]=4 22524 B17R2.41893 [O-][n+]1cccc(c1)OCc2cccnc2F 7a_100000039713_100000099810 [0,2,0,0,0,0|2,0,0]=4 22525 B17R2.41893 [O-][n+]1cccc(c1)SCc2cccnc2Br 62a_100010140945_100009815978 [0,2,0,0,0,0|2,0,0]=4 22526 B17R2.41893 [O-][n+]1cccc(c1)SCc2cccnc2Cl 62a_100000045678_100009815978 [0,2,0,0,0,0|2,0,0]=4 22527 B17R2.41893 [O-][n+]1cccc(c1)SCc2cccnc2F 62a_100000099810_100009815978 [0,2,0,0,0,0|2,0,0]=4 22528 B17R2.41893 [O-][n+]1ccccc1OCc2cncc(c2)Br 7a_100000211761_100000738771 [0,2,0,0,0,0|2,0,0]=4 22529 B17R2.41893 [O-][n+]1ccccc1OCc2cncc(c2)Cl 7a_100000211761_100016992070 [0,2,0,0,0,0|2,0,0]=4 22530 B17R2.41893 [O-][n+]1ccccc1OCc2cncc(c2)F 7a_100000211761_100000725299 [0,2,0,0,0,0|2,0,0]=4 22531 B17R2.41893 [O-][n+]1ccccc1SCc2cncc(c2)Br 62a_100000738771_200000042595 [0,2,0,0,0,0|2,0,0]=4 22532 B17R2.41893 [O-][n+]1ccccc1SCc2cncc(c2)Cl 62a_100016992070_200000042595 [0,2,0,0,0,0|2,0,0]=4 22533 B17R2.41893 [O-][n+]1ccccc1SCc2cncc(c2)F 62a_100000725299_200000042595 [0,2,0,0,0,0|2,0,0]=4 22534 B17R2.41893 [O-][n+]1ccnc(c1)NCc2cccnc2Br 27a_100009818023_100009880115 [0,2,0,0,0,0|2,0,0]=4 22535 B17R2.41893 [O-][n+]1ccnc(c1)NCc2cccnc2Cl 27a_100015189234_100009880115 [0,2,0,0,0,0|2,0,0]=4 22536 B17R2.41893 [O-][n+]1ccnc(c1)NCc2cccnc2F 27a_100000724633_100009880115 [0,2,0,0,0,0|2,0,0]=4 22537 B17R2.41893 [S]c1cccc(c1)SCc2ccccc2Br 62a_100000184730_114929384022 [0,2,0,0,0,0|2,0,0]=4 22538 B17R2.41893 [S]c1cccc(c1)SCc2ccccc2Br 62a_114929384022_100000184730 [0,2,0,0,0,0|2,0,0]=4 22539 B17R2.41893 [S]c1cccc(c1)SCc2ccccc2Cl 62a_100000187162_114929384022 [0,2,0,0,0,0|2,0,0]=4 22540 B17R2.41893 [S]c1cccc(c1)SCc2ccccc2Cl 62a_114929384022_100000187162 [0,2,0,0,0,0|2,0,0]=4 22541 B17R2.41893 [S]c1cccc(c1)SCc2ccccc2I 62a_100011216222_114929384022 [0,2,0,0,0,0|2,0,0]=4 22542 B17R2.41893 [S]c1cccc(c1)SCc2ccccc2I 62a_114929384022_100011216222 [0,2,0,0,0,0|2,0,0]=4 22543 B17R2.41893 [S]c1cccc(c1)SCc2cccnc2Br 62a_100010140945_114929384022 [0,2,0,0,0,0|1,0,0]=3 22544 B17R2.41893 [S]c1cccc(c1)SCc2cccnc2Br 62a_114929384022_100010140945 [0,2,0,0,0,0|1,0,0]=3 22545 B17R2.41893 [S]c1cccc(c1)SCc2cccnc2Cl 62a_100000045678_114929384022 [0,2,0,0,0,0|1,0,0]=3 22546 B17R2.41893 [S]c1cccc(c1)SCc2cccnc2Cl 62a_114929384022_100000045678 [0,2,0,0,0,0|1,0,0]=3 22547 B17R2.162 C=CC(Sc1ccccc1)c2ccccc2 62a_100000719477_200000085779 [0,2,0,0,0,0|2,0,0]=4 22548 B17R2.162 C=CC(Sc1ccccc1)c2ccccc2 62a_200000085779_100000041952 [0,2,0,0,0,0|2,0,0]=4 22549 B17R2.162 C=CC(Sc1cccnc1)c2ccccc2 62a_100000210063_200000085779 [0,2,0,0,0,0|2,0,0]=4 22550 B17R2.162 C=CC(Sc1cccnc1)c2ccccc2 62a_200000085779_100000210063 [0,2,0,0,0,0|2,0,0]=4 22551 B17R2.162 CCC(Nc1cccnn1)c2cccnc2 27a_100000246009_100016991348 [0,2,0,0,0,0|2,0,0]=4 22552 B17R2.162 CCC(Nc1ccncn1)c2cccnc2 27a_100000246009_100000703185 [0,2,0,0,0,0|2,0,0]=4 22553 B17R2.162 CCC(Nc1cnccn1)c2cccnc2 27a_100000246009_100000211759 [0,2,0,0,0,0|2,0,0]=4 22554 B17R2.162 CCC(Nc1ncccn1)c2cccnc2 27a_100000246009_100000211032 [0,2,0,0,0,0|2,0,0]=4 22555 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 2230a_100000188819_100000210202 [0,2,0,0,0,0|1,0,0]=3 22556 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 2230a_100000210013_100015291786 [0,2,0,0,0,0|1,0,0]=3 22557 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100000204670 [0,2,0,0,0,0|1,0,0]=3 22558 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 269982a_100000210013_100000211182 [0,2,0,0,0,0|1,0,0]=3 22559 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 34a_100000188819_100000210202 [0,2,0,0,0,0|1,0,0]=3 22560 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 34a_100000210013_100015291786 [0,2,0,0,0,0|1,0,0]=3 22561 B17R2.162 CCN(Cc1ccccn1)c2ccccc2 2230a_100000210013_100000721315 [0,2,0,0,0,0|2,0,0]=4 22562 B17R2.162 CCN(Cc1ccccn1)c2ccccc2 269982a_100000210013_100000721315 [0,2,0,0,0,0|2,0,0]=4 22563 B17R2.162 CCN(Cc1ccccn1)c2ccccc2 34a_100000210013_100000721315 [0,2,0,0,0,0|2,0,0]=4 22564 B17R2.162 CCN(Cc1cccnc1)c2ccccc2 2230a_100000210013_100000741622 [0,2,0,0,0,0|0,0,0]=2 22565 B17R2.162 CCN(Cc1cccnc1)c2ccccc2 269982a_100000210013_100000733263 [0,2,0,0,0,0|0,0,0]=2 22566 B17R2.162 CCN(Cc1cccnc1)c2ccccc2 34a_100000210013_100000733263 [0,2,0,0,0,0|0,0,0]=2 22567 B17R2.162 CCN(Cc1cccnc1)c2cccnn2 27a_100000186920_100016991348 [0,2,0,0,0,0|2,0,0]=4 22568 B17R2.162 CCN(Cc1cccnc1)c2ccncn2 27a_100000186920_100000703185 [0,2,0,0,0,0|2,0,0]=4 22569 B17R2.162 CCN(Cc1cccnc1)c2cnccn2 27a_100000186920_100000211759 [0,2,0,0,0,0|2,0,0]=4 22570 B17R2.162 CCN(Cc1cccnc1)c2ncccn2 27a_100000186920_100000211032 [0,2,0,0,0,0|2,0,0]=4 22571 B17R2.162 CCN(Cc1cccnn1)c2ccccc2 2230a_100000210013_100016990269 [0,2,0,0,0,0|1,0,0]=3 22572 B17R2.162 CCN(Cc1cccnn1)c2ccccc2 34a_100000210013_100016990269 [0,2,0,0,0,0|1,0,0]=3 22573 B17R2.162 CCN(Cc1ccncc1)c2ccccc2 2230a_100000210013_100015193705 [0,2,0,0,0,0|2,0,0]=4 22574 B17R2.162 CCN(Cc1ccncc1)c2ccccc2 269982a_100000210013_100015193705 [0,2,0,0,0,0|2,0,0]=4 22575 B17R2.162 CCN(Cc1cnccn1)c2ccccc2 2230a_100000210013_100016995436 [0,2,0,0,0,0|1,0,0]=3 22576 B17R2.162 CCN(Cc1cnccn1)c2ccccc2 269982a_100000210013_100016995436 [0,2,0,0,0,0|1,0,0]=3 22577 B17R2.162 CCN(Cc1cnccn1)c2ccccc2 34a_100000210013_100016995436 [0,2,0,0,0,0|1,0,0]=3 22578 B17R2.162 CCN(Cc1cncnc1)c2ccccc2 2230a_100000210013_100015196519 [0,2,0,0,0,0|1,0,0]=3 22579 B17R2.162 CCN(Cc1cncnc1)c2ccccc2 269982a_100000210013_100016991940 [0,2,0,0,0,0|1,0,0]=3 22580 B17R2.162 CCN(Cc1cncnc1)c2ccccc2 34a_100000210013_100015196519 [0,2,0,0,0,0|1,0,0]=3 22581 B17R2.162 CNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_200000210301 [0,2,0,0,0,0|2,0,0]=4 22582 B17R2.162 COC(Cc1ccccc1)c2ccccc2 34a_100000246494_200000210301 [0,2,0,0,0,0|2,0,0]=4 22583 B17R2.162 COC(Cc1ccccc1)c2ccccc2 7a_100000246494_200000210301 [0,2,0,0,0,0|2,0,0]=4 22584 B17R2.162 FCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100015361967 [0,2,0,0,0,0|1,0,0]=3 22585 B17R2.162 FCN(Cc1ccccc1)c2ccccc2 34a_100000188819_100015361967 [0,2,0,0,0,0|1,0,0]=3 22586 B17R2.162 [13CH3]NC(Cc1ccccc1)c2ccccc2 2230a_100025772854_200025704644 [0,2,0,0,0,0|2,0,0]=4 22587 B17R2.162 [13CH3]OC(Cc1ccccc1)c2ccccc2 34a_100000246494_200025704644 [0,2,0,0,0,0|2,0,0]=4 22588 B17R2.162 [13CH3]OC(Cc1ccccc1)c2ccccc2 7a_100000246494_200025704644 [0,2,0,0,0,0|2,0,0]=4 22589 B17R2.192 CC(Nc1ccccc1)c2ccc(cc2)Br 34a_100000106764_100000755118 [0,2,0,0,0,0|1,0,0]=3 22590 B17R2.192 CC(Nc1ccccc1)c2ccc(cc2)F 34a_100000106764_100000743420 [0,2,0,0,0,0|1,0,0]=3 22591 B17R2.192 CC(Oc1ccccc1)c2ccc(cc2)Br 34a_100000210340_100000755118 [0,2,0,0,0,0|2,0,0]=4 22592 B17R2.192 CC(Oc1ccccc1)c2ccc(cc2)Cl 7a_100000210340_100000684792 [0,2,0,0,0,0|2,0,0]=4 22593 B17R2.192 CC(Oc1ccccc1)c2ccc(cc2)F 34a_100000210340_100000743420 [0,2,0,0,0,0|2,0,0]=4 22594 B17R2.192 CC(Oc1ccccc1)c2ccc(cc2)F 7a_100000210340_100000743420 [0,2,0,0,0,0|2,0,0]=4 22595 B17R2.192 CC(Oc1cccnc1)c2ccc(cc2)Br 34a_100000210849_100000755118 [0,2,0,0,0,0|2,0,0]=4 22596 B17R2.192 CC(Oc1cccnc1)c2ccc(cc2)Cl 7a_100000210849_100000684792 [0,2,0,0,0,0|2,0,0]=4 22597 B17R2.192 CC(Oc1cccnc1)c2ccc(cc2)F 34a_100000210849_100000743420 [0,2,0,0,0,0|2,0,0]=4 22598 B17R2.192 CC(Oc1cccnc1)c2ccc(cc2)F 7a_100000210849_100000743420 [0,2,0,0,0,0|2,0,0]=4 22599 B17R2.192 CC(Sc1ccccc1)c2ccc(cc2)Br 62a_100000719477_100000755118 [0,2,0,0,0,0|2,0,0]=4 22600 B17R2.192 CC(Sc1ccccc1)c2ccc(cc2)Br 62a_100000755118_100000041952 [0,2,0,0,0,0|2,0,0]=4 22601 B17R2.192 CC(Sc1ccccc1)c2ccc(cc2)Cl 62a_100000684792_100000041952 [0,2,0,0,0,0|2,0,0]=4 22602 B17R2.192 CC(Sc1ccccc1)c2ccc(cc2)Cl 62a_100000719477_100000684792 [0,2,0,0,0,0|2,0,0]=4 22603 B17R2.192 CC(Sc1ccccc1)c2ccc(cc2)F 62a_100000719477_100000743420 [0,2,0,0,0,0|2,0,0]=4 22604 B17R2.192 CC(Sc1ccccc1)c2ccc(cc2)F 62a_100000743420_100000041952 [0,2,0,0,0,0|2,0,0]=4 22605 B17R2.192 CC(Sc1cccnc1)c2ccc(cc2)Br 62a_100000210063_100000755118 [0,2,0,0,0,0|2,0,0]=4 22606 B17R2.192 CC(Sc1cccnc1)c2ccc(cc2)Br 62a_100000755118_100000210063 [0,2,0,0,0,0|2,0,0]=4 22607 B17R2.192 CC(Sc1cccnc1)c2ccc(cc2)Cl 62a_100000210063_100000684792 [0,2,0,0,0,0|2,0,0]=4 22608 B17R2.192 CC(Sc1cccnc1)c2ccc(cc2)Cl 62a_100000684792_100000210063 [0,2,0,0,0,0|2,0,0]=4 22609 B17R2.192 CC(Sc1cccnc1)c2ccc(cc2)F 62a_100000210063_100000743420 [0,2,0,0,0,0|2,0,0]=4 22610 B17R2.192 CC(Sc1cccnc1)c2ccc(cc2)F 62a_100000743420_100000210063 [0,2,0,0,0,0|2,0,0]=4 22611 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Br 2230a_100000187040_200000210301 [0,2,0,0,0,0|1,0,0]=3 22612 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Br 2230a_100000219623_100015291786 [0,2,0,0,0,0|1,0,0]=3 22613 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Br 269982a_100000187040_200000210301 [0,2,0,0,0,0|1,0,0]=3 22614 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Br 269982a_100000219623_100000211182 [0,2,0,0,0,0|1,0,0]=3 22615 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Br 34a_100000187040_200000210301 [0,2,0,0,0,0|1,0,0]=3 22616 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Br 34a_100000219623_100015291786 [0,2,0,0,0,0|1,0,0]=3 22617 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Cl 2230a_100000187391_200000210301 [0,2,0,0,0,0|1,0,0]=3 22618 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Cl 2230a_100020629279_100015291786 [0,2,0,0,0,0|1,0,0]=3 22619 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Cl 269982a_100000187391_200000210301 [0,2,0,0,0,0|1,0,0]=3 22620 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Cl 269982a_100020629279_100000211182 [0,2,0,0,0,0|1,0,0]=3 22621 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Cl 34a_100000187391_200000210301 [0,2,0,0,0,0|1,0,0]=3 22622 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Cl 34a_100020629279_100015291786 [0,2,0,0,0,0|1,0,0]=3 22623 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)F 2230a_100000219829_100015291786 [0,2,0,0,0,0|1,0,0]=3 22624 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)F 269982a_100000219829_100000211182 [0,2,0,0,0,0|1,0,0]=3 22625 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)F 34a_100000219829_100015291786 [0,2,0,0,0,0|1,0,0]=3 22626 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)I 2230a_100000743151_100015291786 [0,2,0,0,0,0|1,0,0]=3 22627 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)I 269982a_100000743151_100000211182 [0,2,0,0,0,0|1,0,0]=3 22628 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)I 34a_100000743151_100015291786 [0,2,0,0,0,0|1,0,0]=3 22629 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)O 269982a_100000182112_100000211182 [0,2,0,0,0,0|1,0,0]=3 22630 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)O 269982a_200000188756_200000210301 [0,2,0,0,0,0|1,0,0]=3 22631 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)O 34a_100000182112_100015291786 [0,2,0,0,0,0|1,0,0]=3 22632 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)O 34a_200000188756_200000210301 [0,2,0,0,0,0|1,0,0]=3 22633 B17R2.192 CN(Cc1ccccc1)c2ccc(cn2)Br 27a_100000186898_100000686858 [0,2,0,0,0,0|2,0,0]=4 22634 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Br 2230a_100000219623_100000721315 [0,2,0,0,0,0|2,0,0]=4 22635 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Br 2230a_100000238286_200000210301 [0,2,0,0,0,0|2,0,0]=4 22636 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Br 269982a_100000219623_100000721315 [0,2,0,0,0,0|2,0,0]=4 22637 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Br 269982a_100000238286_200000210301 [0,2,0,0,0,0|2,0,0]=4 22638 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Br 34a_100000219623_100000721315 [0,2,0,0,0,0|2,0,0]=4 22639 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Br 34a_100000238286_200000210301 [0,2,0,0,0,0|2,0,0]=4 22640 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Cl 2230a_100000742532_200000210301 [0,2,0,0,0,0|2,0,0]=4 22641 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Cl 2230a_100020629279_100000721315 [0,2,0,0,0,0|2,0,0]=4 22642 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Cl 269982a_100000742532_200000210301 [0,2,0,0,0,0|2,0,0]=4 22643 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Cl 269982a_100020629279_100000721315 [0,2,0,0,0,0|2,0,0]=4 22644 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Cl 34a_100000742532_200000210301 [0,2,0,0,0,0|2,0,0]=4 22645 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)Cl 34a_100020629279_100000721315 [0,2,0,0,0,0|2,0,0]=4 22646 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)F 2230a_100000219829_100000721315 [0,2,0,0,0,0|2,0,0]=4 22647 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)F 269982a_100000219829_100000721315 [0,2,0,0,0,0|2,0,0]=4 22648 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)F 34a_100000219829_100000721315 [0,2,0,0,0,0|2,0,0]=4 22649 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)I 2230a_100000743151_100000721315 [0,2,0,0,0,0|2,0,0]=4 22650 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)I 269982a_100000743151_100000721315 [0,2,0,0,0,0|2,0,0]=4 22651 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)I 34a_100000743151_100000721315 [0,2,0,0,0,0|2,0,0]=4 22652 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)O 269982a_100000182112_100000721315 [0,2,0,0,0,0|2,0,0]=4 22653 B17R2.192 CN(Cc1ccccn1)c2ccc(cc2)O 34a_100000182112_100000721315 [0,2,0,0,0,0|2,0,0]=4 22654 B17R2.192 CN(Cc1cccnc1)c2ccc(cc2)Br 2230a_100000189165_200000210301 [0,2,0,0,0,0|0,0,0]=2 22655 B17R2.192 CN(Cc1cccnc1)c2ccc(cc2)Br 2230a_100000219623_100000741622 [0,2,0,0,0,0|0,0,0]=2 22656 B17R2.192 CN(Cc1cccnc1)c2ccc(cc2)Br 269982a_100000189165_200000210301 [0,2,0,0,0,0|0,0,0]=2 22657 B17R2.192 CN(Cc1cccnc1)c2ccc(cc2)Br 269982a_100000219623_100000733263 [0,2,0,0,0,0|0,0,0]=2 22658 B17R2.192 CN(Cc1cccnc1)c2ccc(cc2)Br 34a_100000189165_200000210301 [0,2,0,0,0,0|0,0,0]=2 22659 B17R2.192 CN(Cc1cccnc1)c2ccc(cc2)Br 34a_100000219623_100000733263 [0,2,0,0,0,0|0,0,0]=2 22660 B17R2.192 CN(Cc1cccnc1)c2ccc(cc2)Cl 2230a_100000187240_200000210301 [0,2,0,0,0,0|0,0,0]=2 22661 B17R2.192 CN(Cc1cccnc1)c2ccc(cc2)Cl 2230a_100020629279_100000741622 [0,2,0,0,0,0|0,0,0]=2 22662 B17R2.192 CN(Cc1cccnc1)c2ccc(cc2)Cl 269982a_100000187240_200000210301 [0,2,0,0,0,0|0,0,0]=2 22663 B17R2.192 CN(Cc1cccnc1)c2ccc(cc2)Cl 269982a_100020629279_100000733263 [0,2,0,0,0,0|0,0,0]=2 22664 B17R2.192 CN(Cc1cccnc1)c2ccc(cc2)Cl 34a_100000187240_200000210301 [0,2,0,0,0,0|0,0,0]=2 22665 B17R2.192 CN(Cc1cccnc1)c2ccc(cc2)Cl 34a_100020629279_100000733263 [0,2,0,0,0,0|0,0,0]=2 22666 B17R2.192 CN(Cc1cccnc1)c2ccc(cc2)F 2230a_100000219829_100000741622 [0,2,0,0,0,0|0,0,0]=2 22667 B17R2.192 CN(Cc1cccnc1)c2ccc(cc2)F 269982a_100000219829_100000733263 [0,2,0,0,0,0|0,0,0]=2 22668 B17R2.192 CN(Cc1cccnc1)c2ccc(cc2)F 34a_100000219829_100000733263 [0,2,0,0,0,0|0,0,0]=2 22669 B17R2.192 CN(Cc1cccnc1)c2ccc(cc2)I 2230a_100000743151_100000741622 [0,2,0,0,0,0|0,0,0]=2 22670 B17R2.192 CN(Cc1cccnc1)c2ccc(cc2)I 269982a_100000743151_100000733263 [0,2,0,0,0,0|0,0,0]=2 22671 B17R2.192 CN(Cc1cccnc1)c2ccc(cc2)I 34a_100000743151_100000733263 [0,2,0,0,0,0|0,0,0]=2 22672 B17R2.192 CN(Cc1cccnc1)c2ccc(cc2)O 269982a_100000182112_100000733263 [0,2,0,0,0,0|0,0,0]=2 22673 B17R2.192 CN(Cc1cccnc1)c2ccc(cc2)O 34a_100000182112_100000733263 [0,2,0,0,0,0|0,0,0]=2 22674 B17R2.192 CN(Cc1cccnc1)c2ccc(cn2)Br 27a_100000184577_100000686858 [0,2,0,0,0,0|1,0,0]=3 22675 B17R2.192 CN(Cc1cccnc1)c2cnc(cn2)Br 27a_100000184577_100010187541 [0,2,0,0,0,0|2,0,0]=4 22676 B17R2.192 CN(Cc1cccnc1)c2cnc(cn2)F 27a_100000184577_100009856528 [0,2,0,0,0,0|2,0,0]=4 22677 B17R2.192 CN(Cc1cccnc1)c2ncc(cn2)Br 27a_100000184577_100000690281 [0,2,0,0,0,0|2,0,0]=4 22678 B17R2.192 CN(Cc1cccnc1)c2ncc(cn2)Cl 27a_100000184577_100011356929 [0,2,0,0,0,0|2,0,0]=4 22679 B17R2.192 CN(Cc1cccnc1)c2ncc(cn2)F 27a_100000184577_100000685220 [0,2,0,0,0,0|2,0,0]=4 22680 B17R2.192 CN(Cc1cccnn1)c2ccc(cc2)Br 2230a_100000219623_100016990269 [0,2,0,0,0,0|1,0,0]=3 22681 B17R2.192 CN(Cc1cccnn1)c2ccc(cc2)Br 34a_100000219623_100016990269 [0,2,0,0,0,0|1,0,0]=3 22682 B17R2.192 CN(Cc1cccnn1)c2ccc(cc2)Cl 2230a_100020629279_100016990269 [0,2,0,0,0,0|1,0,0]=3 22683 B17R2.192 CN(Cc1cccnn1)c2ccc(cc2)Cl 34a_100020629279_100016990269 [0,2,0,0,0,0|1,0,0]=3 22684 B17R2.192 CN(Cc1cccnn1)c2ccc(cc2)F 2230a_100000219829_100016990269 [0,2,0,0,0,0|1,0,0]=3 22685 B17R2.192 CN(Cc1cccnn1)c2ccc(cc2)F 34a_100000219829_100016990269 [0,2,0,0,0,0|1,0,0]=3 22686 B17R2.192 CN(Cc1cccnn1)c2ccc(cc2)I 2230a_100000743151_100016990269 [0,2,0,0,0,0|1,0,0]=3 22687 B17R2.192 CN(Cc1cccnn1)c2ccc(cc2)I 34a_100000743151_100016990269 [0,2,0,0,0,0|1,0,0]=3 22688 B17R2.192 CN(Cc1cccnn1)c2ccc(cc2)O 34a_100000182112_100016990269 [0,2,0,0,0,0|1,0,0]=3 22689 B17R2.192 CN(Cc1ccncc1)c2ccc(cc2)Br 2230a_100000219623_100015193705 [0,2,0,0,0,0|2,0,0]=4 22690 B17R2.192 CN(Cc1ccncc1)c2ccc(cc2)Br 269982a_100000219623_100015193705 [0,2,0,0,0,0|2,0,0]=4 22691 B17R2.192 CN(Cc1ccncc1)c2ccc(cc2)Cl 2230a_100020629279_100015193705 [0,2,0,0,0,0|2,0,0]=4 22692 B17R2.192 CN(Cc1ccncc1)c2ccc(cc2)Cl 269982a_100020629279_100015193705 [0,2,0,0,0,0|2,0,0]=4 22693 B17R2.192 CN(Cc1ccncc1)c2ccc(cc2)F 2230a_100000219829_100015193705 [0,2,0,0,0,0|2,0,0]=4 22694 B17R2.192 CN(Cc1ccncc1)c2ccc(cc2)F 269982a_100000219829_100015193705 [0,2,0,0,0,0|2,0,0]=4 22695 B17R2.192 CN(Cc1ccncc1)c2ccc(cc2)I 2230a_100000743151_100015193705 [0,2,0,0,0,0|2,0,0]=4 22696 B17R2.192 CN(Cc1ccncc1)c2ccc(cc2)I 269982a_100000743151_100015193705 [0,2,0,0,0,0|2,0,0]=4 22697 B17R2.192 CN(Cc1ccncc1)c2ccc(cc2)O 269982a_100000182112_100015193705 [0,2,0,0,0,0|2,0,0]=4 22698 B17R2.192 CN(Cc1cnccn1)c2ccc(cc2)Br 2230a_100000219623_100016995436 [0,2,0,0,0,0|1,0,0]=3 22699 B17R2.192 CN(Cc1cnccn1)c2ccc(cc2)Br 269982a_100000219623_100016995436 [0,2,0,0,0,0|1,0,0]=3 22700 B17R2.192 CN(Cc1cnccn1)c2ccc(cc2)Br 34a_100000219623_100016995436 [0,2,0,0,0,0|1,0,0]=3 22701 B17R2.192 CN(Cc1cnccn1)c2ccc(cc2)Cl 2230a_100020629279_100016995436 [0,2,0,0,0,0|1,0,0]=3 22702 B17R2.192 CN(Cc1cnccn1)c2ccc(cc2)Cl 269982a_100020629279_100016995436 [0,2,0,0,0,0|1,0,0]=3 22703 B17R2.192 CN(Cc1cnccn1)c2ccc(cc2)Cl 34a_100020629279_100016995436 [0,2,0,0,0,0|1,0,0]=3 22704 B17R2.192 CN(Cc1cnccn1)c2ccc(cc2)F 2230a_100000219829_100016995436 [0,2,0,0,0,0|1,0,0]=3 22705 B17R2.192 CN(Cc1cnccn1)c2ccc(cc2)F 269982a_100000219829_100016995436 [0,2,0,0,0,0|1,0,0]=3 22706 B17R2.192 CN(Cc1cnccn1)c2ccc(cc2)F 34a_100000219829_100016995436 [0,2,0,0,0,0|1,0,0]=3 22707 B17R2.192 CN(Cc1cnccn1)c2ccc(cc2)I 2230a_100000743151_100016995436 [0,2,0,0,0,0|1,0,0]=3 22708 B17R2.192 CN(Cc1cnccn1)c2ccc(cc2)I 269982a_100000743151_100016995436 [0,2,0,0,0,0|1,0,0]=3 22709 B17R2.192 CN(Cc1cnccn1)c2ccc(cc2)I 34a_100000743151_100016995436 [0,2,0,0,0,0|1,0,0]=3 22710 B17R2.192 CN(Cc1cnccn1)c2ccc(cc2)O 269982a_100000182112_100016995436 [0,2,0,0,0,0|1,0,0]=3 22711 B17R2.192 CN(Cc1cnccn1)c2ccc(cc2)O 34a_100000182112_100016995436 [0,2,0,0,0,0|1,0,0]=3 22712 B17R2.192 CN(Cc1cnccn1)c2ccc(cn2)Br 27a_100011269079_100000686858 [0,2,0,0,0,0|2,0,0]=4 22713 B17R2.192 CN(Cc1cncnc1)c2ccc(cc2)Br 2230a_100000219623_100015196519 [0,2,0,0,0,0|1,0,0]=3 22714 B17R2.192 CN(Cc1cncnc1)c2ccc(cc2)Br 269982a_100000219623_100016991940 [0,2,0,0,0,0|1,0,0]=3 22715 B17R2.192 CN(Cc1cncnc1)c2ccc(cc2)Br 34a_100000219623_100015196519 [0,2,0,0,0,0|1,0,0]=3 22716 B17R2.192 CN(Cc1cncnc1)c2ccc(cc2)Cl 2230a_100020629279_100015196519 [0,2,0,0,0,0|1,0,0]=3 22717 B17R2.192 CN(Cc1cncnc1)c2ccc(cc2)Cl 269982a_100020629279_100016991940 [0,2,0,0,0,0|1,0,0]=3 22718 B17R2.192 CN(Cc1cncnc1)c2ccc(cc2)Cl 34a_100020629279_100015196519 [0,2,0,0,0,0|1,0,0]=3 22719 B17R2.192 CN(Cc1cncnc1)c2ccc(cc2)F 2230a_100000219829_100015196519 [0,2,0,0,0,0|1,0,0]=3 22720 B17R2.192 CN(Cc1cncnc1)c2ccc(cc2)F 269982a_100000219829_100016991940 [0,2,0,0,0,0|1,0,0]=3 22721 B17R2.192 CN(Cc1cncnc1)c2ccc(cc2)F 34a_100000219829_100015196519 [0,2,0,0,0,0|1,0,0]=3 22722 B17R2.192 CN(Cc1cncnc1)c2ccc(cc2)I 2230a_100000743151_100015196519 [0,2,0,0,0,0|1,0,0]=3 22723 B17R2.192 CN(Cc1cncnc1)c2ccc(cc2)I 269982a_100000743151_100016991940 [0,2,0,0,0,0|1,0,0]=3 22724 B17R2.192 CN(Cc1cncnc1)c2ccc(cc2)I 34a_100000743151_100015196519 [0,2,0,0,0,0|1,0,0]=3 22725 B17R2.192 CN(Cc1cncnc1)c2ccc(cc2)O 269982a_100000182112_100016991940 [0,2,0,0,0,0|1,0,0]=3 22726 B17R2.192 CN(Cc1cncnc1)c2ccc(cc2)O 34a_100000182112_100015196519 [0,2,0,0,0,0|1,0,0]=3 22727 B17R2.192 C[C@H](Nc1cccnn1)c2ccc(nc2)Br 27a_100015387476_100016991348 [0,2,0,0,0,0|2,0,0]=4 22728 B17R2.192 C[C@H](Nc1ccncn1)c2ccc(nc2)Br 27a_100015387476_100000703185 [0,2,0,0,0,0|2,0,0]=4 22729 B17R2.192 C[C@H](Nc1cnccn1)c2ccc(nc2)Br 27a_100015387476_100000211759 [0,2,0,0,0,0|2,0,0]=4 22730 B17R2.192 C[C@H](Nc1ncccn1)c2ccc(nc2)Br 27a_100015387476_100000211032 [0,2,0,0,0,0|2,0,0]=4 22731 B17R2.192 Cc1ccc(cc1)C(=O)Cc2ccccc2 1458a_100000188618_100015291786 [0,2,0,0,0,0|2,0,0]=4 22732 B17R2.192 Cc1ccc(cc1)C(=O)Cc2cccnc2 1458a_100000188618_100000733263 [0,2,0,0,0,0|1,0,0]=3 22733 B17R2.192 Cc1ccc(cc1)C(=O)Cc2cccnn2 1458a_100000188618_100016990269 [0,2,0,0,0,0|2,0,0]=4 22734 B17R2.192 Cc1ccc(cc1)C(=O)Cc2cnccn2 1458a_100000188618_100016995436 [0,2,0,0,0,0|2,0,0]=4 22735 B17R2.192 Cc1ccc(cc1)C(=O)Cc2cncnc2 1458a_100000188618_100015196519 [0,2,0,0,0,0|2,0,0]=4 22736 B17R2.192 Cc1ccc(cc1)C(=O)Nc2ccccc2 11a_100000106764_100000188618 [0,2,0,0,0,0|1,0,1]=4 22737 B17R2.192 Cc1ccc(cc1)C(=O)Nc2ccccc2 1626a_100000106764_100000188618 [0,2,0,0,0,0|1,0,1]=4 22738 B17R2.192 Cc1ccc(cc1)C(=O)Nc2ccccc2 22a_100000106764_100000188618 [0,2,0,0,0,0|1,0,1]=4 22739 B17R2.192 Cc1ccc(cc1)C(=O)Nc2ccccc2 527a_100000106764_100000188618 [0,2,0,0,0,0|1,0,1]=4 22740 B17R2.192 Cc1ccc(cc1)C(C)Nc2ccccc2 34a_100000106764_100011261388 [0,2,0,0,0,0|1,0,0]=3 22741 B17R2.192 Cc1ccc(cc1)C(C)Oc2ccccc2 34a_100000210340_100011261388 [0,2,0,0,0,0|2,0,0]=4 22742 B17R2.192 Cc1ccc(cc1)C(C)Oc2ccccc2 7a_100000210340_100011261388 [0,2,0,0,0,0|2,0,0]=4 22743 B17R2.192 Cc1ccc(cc1)C(C)Oc2cccnc2 34a_100000210849_100011261388 [0,2,0,0,0,0|2,0,0]=4 22744 B17R2.192 Cc1ccc(cc1)C(C)Oc2cccnc2 7a_100000210849_100011261388 [0,2,0,0,0,0|2,0,0]=4 22745 B17R2.192 Cc1ccc(cc1)C(C)Sc2ccccc2 62a_100000719477_100011261388 [0,2,0,0,0,0|2,0,0]=4 22746 B17R2.192 Cc1ccc(cc1)C(C)Sc2ccccc2 62a_100011261388_100000041952 [0,2,0,0,0,0|2,0,0]=4 22747 B17R2.192 Cc1ccc(cc1)C(C)Sc2cccnc2 62a_100000210063_100011261388 [0,2,0,0,0,0|2,0,0]=4 22748 B17R2.192 Cc1ccc(cc1)C(C)Sc2cccnc2 62a_100011261388_100000210063 [0,2,0,0,0,0|2,0,0]=4 22749 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccc2 2230a_100000185259_200000210301 [0,2,0,0,0,0|1,0,0]=3 22750 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccc2 2230a_100000219977_100015291786 [0,2,0,0,0,0|1,0,0]=3 22751 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccc2 269982a_100000185259_200000210301 [0,2,0,0,0,0|1,0,0]=3 22752 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccc2 269982a_100000219977_100000211182 [0,2,0,0,0,0|1,0,0]=3 22753 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccc2 34a_100000185259_200000210301 [0,2,0,0,0,0|1,0,0]=3 22754 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccc2 34a_100000219977_100015291786 [0,2,0,0,0,0|1,0,0]=3 22755 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccn2 2230a_100000219977_100000721315 [0,2,0,0,0,0|2,0,0]=4 22756 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccn2 269982a_100000219977_100000721315 [0,2,0,0,0,0|2,0,0]=4 22757 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccn2 34a_100000219977_100000721315 [0,2,0,0,0,0|2,0,0]=4 22758 B17R2.192 Cc1ccc(cc1)N(C)Cc2cccnc2 2230a_100000219977_100000741622 [0,2,0,0,0,0|0,0,0]=2 22759 B17R2.192 Cc1ccc(cc1)N(C)Cc2cccnc2 269982a_100000219977_100000733263 [0,2,0,0,0,0|0,0,0]=2 22760 B17R2.192 Cc1ccc(cc1)N(C)Cc2cccnc2 34a_100000219977_100000733263 [0,2,0,0,0,0|0,0,0]=2 22761 B17R2.192 Cc1ccc(cc1)N(C)Cc2cccnn2 2230a_100000219977_100016990269 [0,2,0,0,0,0|1,0,0]=3 22762 B17R2.192 Cc1ccc(cc1)N(C)Cc2cccnn2 34a_100000219977_100016990269 [0,2,0,0,0,0|1,0,0]=3 22763 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccncc2 2230a_100000219977_100015193705 [0,2,0,0,0,0|2,0,0]=4 22764 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccncc2 269982a_100000219977_100015193705 [0,2,0,0,0,0|2,0,0]=4 22765 B17R2.192 Cc1ccc(cc1)N(C)Cc2cnccn2 2230a_100000219977_100016995436 [0,2,0,0,0,0|1,0,0]=3 22766 B17R2.192 Cc1ccc(cc1)N(C)Cc2cnccn2 269982a_100000219977_100016995436 [0,2,0,0,0,0|1,0,0]=3 22767 B17R2.192 Cc1ccc(cc1)N(C)Cc2cnccn2 34a_100000219977_100016995436 [0,2,0,0,0,0|1,0,0]=3 22768 B17R2.192 Cc1ccc(cc1)N(C)Cc2cncnc2 2230a_100000219977_100015196519 [0,2,0,0,0,0|1,0,0]=3 22769 B17R2.192 Cc1ccc(cc1)N(C)Cc2cncnc2 269982a_100000219977_100016991940 [0,2,0,0,0,0|1,0,0]=3 22770 B17R2.192 Cc1ccc(cc1)N(C)Cc2cncnc2 34a_100000219977_100015196519 [0,2,0,0,0,0|1,0,0]=3 22771 B17R2.192 Cc1ccc(cc1)N([13CH3])Cc2ccccc2 2230a_100000185259_200025704644 [0,2,0,0,0,0|1,0,0]=3 22772 B17R2.192 Cc1ccc(cc1)N([13CH3])Cc2ccccc2 269982a_100000185259_200025704644 [0,2,0,0,0,0|1,0,0]=3 22773 B17R2.192 Cc1ccc(cc1)N([13CH3])Cc2ccccc2 34a_100000185259_200025704644 [0,2,0,0,0,0|1,0,0]=3 22774 B17R2.192 Cc1ccc(cn1)C(C)Nc2cccnn2 27a_100011815741_100016991348 [0,2,0,0,0,0|2,0,0]=4 22775 B17R2.192 Cc1ccc(cn1)C(C)Nc2ccncn2 27a_100011815741_100000703185 [0,2,0,0,0,0|2,0,0]=4 22776 B17R2.192 Cc1ccc(cn1)C(C)Nc2cnccn2 27a_100011815741_100000211759 [0,2,0,0,0,0|2,0,0]=4 22777 B17R2.192 Cc1ccc(cn1)C(C)Nc2ncccn2 27a_100011815741_100000211032 [0,2,0,0,0,0|2,0,0]=4 22778 B17R2.192 Cc1ccc(nn1)N(C)Cc2cccnc2 27a_100000184577_100000744512 [0,2,0,0,0,0|2,0,0]=4 22779 B17R2.192 Cc1cnc(cn1)N(C)Cc2cccnc2 27a_100000184577_100000074397 [0,2,0,0,0,0|2,0,0]=4 22780 B17R2.192 Cc1cnc(nc1)N(C)Cc2cccnc2 27a_100000184577_100000061069 [0,2,0,0,0,0|2,0,0]=4 22781 B17R2.192 O=C(Cc1ccccc1)c2ccc(cc2)Br 1458a_100000185839_100015291786 [0,2,0,0,0,0|2,0,0]=4 22782 B17R2.192 O=C(Cc1ccccc1)c2ccc(cc2)Cl 1458a_100000210187_100015291786 [0,2,0,0,0,0|2,0,0]=4 22783 B17R2.192 O=C(Cc1ccccc1)c2ccc(cc2)F 1458a_100000187176_100015291786 [0,2,0,0,0,0|2,0,0]=4 22784 B17R2.192 O=C(Cc1ccccc1)c2ccc(cc2)I 1458a_100000187904_100015291786 [0,2,0,0,0,0|2,0,0]=4 22785 B17R2.192 O=C(Cc1ccccc1)c2ccc(cc2)O 1458a_100000212099_100015291786 [0,2,0,0,0,0|2,0,0]=4 22786 B17R2.192 O=C(Cc1ccccc1)c2ccc(cc2)O 271570a_203496583355_100000185893 [0,2,0,0,0,0|2,0,0]=4 22787 B17R2.192 O=C(Cc1cccnc1)c2ccc(cc2)Br 1458a_100000185839_100000733263 [0,2,0,0,0,0|1,0,0]=3 22788 B17R2.192 O=C(Cc1cccnc1)c2ccc(cc2)Cl 1458a_100000210187_100000733263 [0,2,0,0,0,0|1,0,0]=3 22789 B17R2.192 O=C(Cc1cccnc1)c2ccc(cc2)F 1458a_100000187176_100000733263 [0,2,0,0,0,0|1,0,0]=3 22790 B17R2.192 O=C(Cc1cccnc1)c2ccc(cc2)I 1458a_100000187904_100000733263 [0,2,0,0,0,0|1,0,0]=3 22791 B17R2.192 O=C(Cc1cccnc1)c2ccc(cc2)O 1458a_100000212099_100000733263 [0,2,0,0,0,0|1,0,0]=3 22792 B17R2.192 O=C(Cc1cccnn1)c2ccc(cc2)Br 1458a_100000185839_100016990269 [0,2,0,0,0,0|2,0,0]=4 22793 B17R2.192 O=C(Cc1cccnn1)c2ccc(cc2)Cl 1458a_100000210187_100016990269 [0,2,0,0,0,0|2,0,0]=4 22794 B17R2.192 O=C(Cc1cccnn1)c2ccc(cc2)F 1458a_100000187176_100016990269 [0,2,0,0,0,0|2,0,0]=4 22795 B17R2.192 O=C(Cc1cccnn1)c2ccc(cc2)I 1458a_100000187904_100016990269 [0,2,0,0,0,0|2,0,0]=4 22796 B17R2.192 O=C(Cc1cccnn1)c2ccc(cc2)O 1458a_100000212099_100016990269 [0,2,0,0,0,0|2,0,0]=4 22797 B17R2.192 O=C(Cc1cnccn1)c2ccc(cc2)Br 1458a_100000185839_100016995436 [0,2,0,0,0,0|2,0,0]=4 22798 B17R2.192 O=C(Cc1cnccn1)c2ccc(cc2)Cl 1458a_100000210187_100016995436 [0,2,0,0,0,0|2,0,0]=4 22799 B17R2.192 O=C(Cc1cnccn1)c2ccc(cc2)F 1458a_100000187176_100016995436 [0,2,0,0,0,0|2,0,0]=4 22800 B17R2.192 O=C(Cc1cnccn1)c2ccc(cc2)I 1458a_100000187904_100016995436 [0,2,0,0,0,0|2,0,0]=4 22801 B17R2.192 O=C(Cc1cnccn1)c2ccc(cc2)O 1458a_100000212099_100016995436 [0,2,0,0,0,0|2,0,0]=4 22802 B17R2.192 O=C(Cc1cncnc1)c2ccc(cc2)Br 1458a_100000185839_100015196519 [0,2,0,0,0,0|2,0,0]=4 22803 B17R2.192 O=C(Cc1cncnc1)c2ccc(cc2)Cl 1458a_100000210187_100015196519 [0,2,0,0,0,0|2,0,0]=4 22804 B17R2.192 O=C(Cc1cncnc1)c2ccc(cc2)F 1458a_100000187176_100015196519 [0,2,0,0,0,0|2,0,0]=4 22805 B17R2.192 O=C(Cc1cncnc1)c2ccc(cc2)I 1458a_100000187904_100015196519 [0,2,0,0,0,0|2,0,0]=4 22806 B17R2.192 O=C(Cc1cncnc1)c2ccc(cc2)O 1458a_100000212099_100015196519 [0,2,0,0,0,0|2,0,0]=4 22807 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Br 11a_100000106764_100000185839 [0,2,0,0,0,0|1,0,1]=4 22808 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Br 1626a_100000106764_100000185839 [0,2,0,0,0,0|1,0,1]=4 22809 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Br 22a_100000106764_100000185839 [0,2,0,0,0,0|1,0,1]=4 22810 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Br 527a_100000106764_100000185839 [0,2,0,0,0,0|1,0,1]=4 22811 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Cl 11a_100000106764_100000210187 [0,2,0,0,0,0|1,0,1]=4 22812 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Cl 1626a_100000106764_100000210187 [0,2,0,0,0,0|1,0,1]=4 22813 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Cl 22a_100000106764_100000210187 [0,2,0,0,0,0|1,0,1]=4 22814 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Cl 527a_100000106764_100000210187 [0,2,0,0,0,0|1,0,1]=4 22815 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)F 11a_100000106764_100000187176 [0,2,0,0,0,0|1,0,1]=4 22816 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)F 1626a_100000106764_100000187176 [0,2,0,0,0,0|1,0,1]=4 22817 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)F 22a_100000106764_100000187176 [0,2,0,0,0,0|1,0,1]=4 22818 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)F 527a_100000106764_100000187176 [0,2,0,0,0,0|1,0,1]=4 22819 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)I 11a_100000106764_100000187904 [0,2,0,0,0,0|1,0,1]=4 22820 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)I 1626a_100000106764_100000187904 [0,2,0,0,0,0|1,0,1]=4 22821 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)I 22a_100000106764_100000187904 [0,2,0,0,0,0|1,0,1]=4 22822 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)I 527a_100000106764_100000187904 [0,2,0,0,0,0|1,0,1]=4 22823 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)O 22a_100000106764_100000212099 [0,2,0,0,0,0|1,0,1]=4 22824 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)O 271570a_203496583355_200000153473 [0,2,0,0,0,0|1,0,1]=4 22825 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)O 527a_100000106764_100000212099 [0,2,0,0,0,0|1,0,1]=4 22826 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)Br 2230a_100000187040_200025704644 [0,2,0,0,0,0|1,0,0]=3 22827 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)Br 269982a_100000187040_200025704644 [0,2,0,0,0,0|1,0,0]=3 22828 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)Br 34a_100000187040_200025704644 [0,2,0,0,0,0|1,0,0]=3 22829 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)Cl 2230a_100000187391_200025704644 [0,2,0,0,0,0|1,0,0]=3 22830 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)Cl 269982a_100000187391_200025704644 [0,2,0,0,0,0|1,0,0]=3 22831 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)Cl 34a_100000187391_200025704644 [0,2,0,0,0,0|1,0,0]=3 22832 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)O 269982a_200000188756_200025704644 [0,2,0,0,0,0|1,0,0]=3 22833 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)O 34a_200000188756_200025704644 [0,2,0,0,0,0|1,0,0]=3 22834 B17R2.192 [13CH3]N(Cc1ccccn1)c2ccc(cc2)Br 2230a_100000238286_200025704644 [0,2,0,0,0,0|2,0,0]=4 22835 B17R2.192 [13CH3]N(Cc1ccccn1)c2ccc(cc2)Br 269982a_100000238286_200025704644 [0,2,0,0,0,0|2,0,0]=4 22836 B17R2.192 [13CH3]N(Cc1ccccn1)c2ccc(cc2)Br 34a_100000238286_200025704644 [0,2,0,0,0,0|2,0,0]=4 22837 B17R2.192 [13CH3]N(Cc1ccccn1)c2ccc(cc2)Cl 2230a_100000742532_200025704644 [0,2,0,0,0,0|2,0,0]=4 22838 B17R2.192 [13CH3]N(Cc1ccccn1)c2ccc(cc2)Cl 269982a_100000742532_200025704644 [0,2,0,0,0,0|2,0,0]=4 22839 B17R2.192 [13CH3]N(Cc1ccccn1)c2ccc(cc2)Cl 34a_100000742532_200025704644 [0,2,0,0,0,0|2,0,0]=4 22840 B17R2.192 [13CH3]N(Cc1cccnc1)c2ccc(cc2)Br 2230a_100000189165_200025704644 [0,2,0,0,0,0|0,0,0]=2 22841 B17R2.192 [13CH3]N(Cc1cccnc1)c2ccc(cc2)Br 269982a_100000189165_200025704644 [0,2,0,0,0,0|0,0,0]=2 22842 B17R2.192 [13CH3]N(Cc1cccnc1)c2ccc(cc2)Br 34a_100000189165_200025704644 [0,2,0,0,0,0|0,0,0]=2 22843 B17R2.192 [13CH3]N(Cc1cccnc1)c2ccc(cc2)Cl 2230a_100000187240_200025704644 [0,2,0,0,0,0|0,0,0]=2 22844 B17R2.192 [13CH3]N(Cc1cccnc1)c2ccc(cc2)Cl 269982a_100000187240_200025704644 [0,2,0,0,0,0|0,0,0]=2 22845 B17R2.192 [13CH3]N(Cc1cccnc1)c2ccc(cc2)Cl 34a_100000187240_200025704644 [0,2,0,0,0,0|0,0,0]=2 22846 B17R2.209 CC(Cc1ccc(=O)[nH]c1)c2ccccc2 271570a_100000062452_100000212171 [0,2,0,0,0,0|1,0,1]=4 22847 B17R2.209 CC(Cc1ccc(cc1)Br)c2ccccc2 271570a_100000062452_100000752885 [0,2,0,0,0,0|2,0,0]=4 22848 B17R2.209 CC(Cc1ccc(cc1)Cl)c2ccccc2 271570a_100000062452_100000755918 [0,2,0,0,0,0|2,0,0]=4 22849 B17R2.209 CC(Cc1ccc(cc1)F)c2ccccc2 271570a_100000062452_100000211213 [0,2,0,0,0,0|2,0,0]=4 22850 B17R2.209 CC(Cc1ccc(cc1)N)c2ccccc2 271570a_100000062452_100000185761 [0,2,0,0,0,0|2,0,0]=4 22851 B17R2.209 CC(Cc1ccc(cc1)O)c2ccccc2 271570a_100000062452_100000185759 [0,2,0,0,0,0|2,0,0]=4 22852 B17R2.209 CC(Cc1ccc(nc1)Br)c2ccccc2 271570a_100000062452_100009814638 [0,2,0,0,0,0|1,0,0]=3 22853 B17R2.209 CC(Cc1ccc(nc1)Cl)c2ccccc2 271570a_100000062452_100000034144 [0,2,0,0,0,0|1,0,0]=3 22854 B17R2.209 CC(Cc1ccc(nc1)F)c2ccccc2 271570a_100000062452_100000748661 [0,2,0,0,0,0|1,0,0]=3 22855 B17R2.209 CC(Cc1ccc(nc1)N)c2ccccc2 271570a_100000062452_100000187370 [0,2,0,0,0,0|1,0,0]=3 22856 B17R2.209 CC(Cc1ccc(nn1)N)c2ccccc2 271570a_100000062452_100009816609 [0,2,0,0,0,0|2,0,0]=4 22857 B17R2.209 CC(Cc1cnc(=O)[nH]c1)c2ccccc2 271570a_100000062452_102495366499 [0,2,0,0,0,0|2,0,0]=4 22858 B17R2.209 CC(Cc1cnc(cn1)F)c2ccccc2 271570a_100000062452_100009856528 [0,2,0,0,0,0|2,0,0]=4 22859 B17R2.209 CC(Cc1cnc(cn1)N)c2ccccc2 271570a_100000062452_100000761932 [0,2,0,0,0,0|2,0,0]=4 22860 B17R2.209 CC(Cc1cnc(nc1)Br)c2ccccc2 271570a_100000062452_200012349914 [0,2,0,0,0,0|2,0,0]=4 22861 B17R2.209 CC(Cc1cnc(nc1)F)c2ccccc2 271570a_100000062452_100000685262 [0,2,0,0,0,0|2,0,0]=4 22862 B17R2.209 CC(Cc1cnc(nc1)N)c2ccccc2 271570a_100000062452_100000760574 [0,2,0,0,0,0|2,0,0]=4 22863 B17R2.209 CC(Nc1ccc(cc1)Br)c2ccccc2 2230a_100000210018_100000230085 [0,2,0,0,0,0|1,0,0]=3 22864 B17R2.209 CC(Nc1ccc(cc1)Br)c2ccccc2 34a_100000210018_100000211855 [0,2,0,0,0,0|1,0,0]=3 22865 B17R2.209 CC(Nc1ccc(cc1)Br)c2cnccn2 2230a_100000210018_200000703233 [0,2,0,0,0,0|1,0,0]=3 22866 B17R2.209 CC(Nc1ccc(cc1)Cl)c2ccccc2 2230a_100000210052_100000230085 [0,2,0,0,0,0|1,0,0]=3 22867 B17R2.209 CC(Nc1ccc(cc1)Cl)c2ccccc2 34a_100000210052_100000211855 [0,2,0,0,0,0|1,0,0]=3 22868 B17R2.209 CC(Nc1ccc(cc1)Cl)c2cnccn2 2230a_100000210052_200000703233 [0,2,0,0,0,0|1,0,0]=3 22869 B17R2.209 CC(Nc1ccc(cc1)F)c2ccccc2 34a_100000185862_100000211855 [0,2,0,0,0,0|1,0,0]=3 22870 B17R2.209 CC(Nc1ccc(cc1)I)c2ccccc2 34a_100000185761_100000211855 [0,2,0,0,0,0|1,0,0]=3 22871 B17R2.209 CC(Nc1ccc(cc1)O)c2ccccc2 34a_100000185829_100000211855 [0,2,0,0,0,0|1,0,0]=3 22872 B17R2.209 CC(Nc1ccc(cn1)Br)c2cccnc2 27a_100000195435_100000686858 [0,2,0,0,0,0|1,0,0]=3 22873 B17R2.209 CC(Nc1cnc(cn1)Br)c2cccnc2 27a_100000195435_100010187541 [0,2,0,0,0,0|2,0,0]=4 22874 B17R2.209 CC(Nc1cnc(cn1)F)c2cccnc2 27a_100000195435_100009856528 [0,2,0,0,0,0|2,0,0]=4 22875 B17R2.209 CC(Nc1ncc(cn1)Br)c2cccnc2 27a_100000195435_100000690281 [0,2,0,0,0,0|2,0,0]=4 22876 B17R2.209 CC(Nc1ncc(cn1)Cl)c2cccnc2 27a_100000195435_100011356929 [0,2,0,0,0,0|2,0,0]=4 22877 B17R2.209 CC(Nc1ncc(cn1)F)c2cccnc2 27a_100000195435_100000685220 [0,2,0,0,0,0|2,0,0]=4 22878 B17R2.209 CC(Oc1ccc(cc1)Br)c2ccccc2 34a_100000185759_100000211855 [0,2,0,0,0,0|2,0,0]=4 22879 B17R2.209 CC(Oc1ccc(cc1)Br)c2ccccc2 7a_100000185759_100000230085 [0,2,0,0,0,0|2,0,0]=4 22880 B17R2.209 CC(Oc1ccc(cc1)Br)c2cnccn2 7a_100000185759_200000703233 [0,2,0,0,0,0|2,0,0]=4 22881 B17R2.209 CC(Oc1ccc(cc1)Cl)c2ccccc2 34a_100000210216_100000211855 [0,2,0,0,0,0|2,0,0]=4 22882 B17R2.209 CC(Oc1ccc(cc1)Cl)c2ccccc2 7a_100000210216_100000230085 [0,2,0,0,0,0|2,0,0]=4 22883 B17R2.209 CC(Oc1ccc(cc1)Cl)c2cnccn2 7a_100000210216_200000703233 [0,2,0,0,0,0|2,0,0]=4 22884 B17R2.209 CC(Oc1ccc(cc1)F)c2ccccc2 34a_100000210339_100000211855 [0,2,0,0,0,0|2,0,0]=4 22885 B17R2.209 CC(Oc1ccc(cc1)I)c2ccccc2 34a_100000212066_100000211855 [0,2,0,0,0,0|2,0,0]=4 22886 B17R2.209 CC(Oc1ccc(cc1)I)c2ccccc2 7a_100000212066_100000230085 [0,2,0,0,0,0|2,0,0]=4 22887 B17R2.209 CC(Oc1ccc(cc1)I)c2cnccn2 7a_100000212066_200000703233 [0,2,0,0,0,0|2,0,0]=4 22888 B17R2.209 CC(Oc1ccc(cc1)N)c2ccccc2 34a_100000185829_100000211855 [0,2,0,0,0,0|2,0,0]=4 22889 B17R2.209 CC(Oc1ccc(nc1)Br)c2ccccc2 34a_100000685995_100000211855 [0,2,0,0,0,0|2,0,0]=4 22890 B17R2.209 CC(Oc1ccc(nc1)Br)c2ccccc2 7a_100000685995_100000230085 [0,2,0,0,0,0|2,0,0]=4 22891 B17R2.209 CC(Oc1ccc(nc1)Cl)c2ccccc2 34a_100000744096_100000211855 [0,2,0,0,0,0|2,0,0]=4 22892 B17R2.209 CC(Oc1ccc(nc1)Cl)c2ccccc2 7a_100000744096_100000230085 [0,2,0,0,0,0|2,0,0]=4 22893 B17R2.209 CC(Oc1ccc(nc1)F)c2ccccc2 34a_100000688820_100000211855 [0,2,0,0,0,0|2,0,0]=4 22894 B17R2.209 CC(Oc1ccc(nc1)F)c2ccccc2 7a_100000688820_100000230085 [0,2,0,0,0,0|2,0,0]=4 22895 B17R2.209 CC(Oc1ccc(nc1)I)c2ccccc2 34a_100000687607_100000211855 [0,2,0,0,0,0|2,0,0]=4 22896 B17R2.209 CC(Oc1ccc(nc1)I)c2ccccc2 7a_100000687607_100000230085 [0,2,0,0,0,0|2,0,0]=4 22897 B17R2.209 CC(Oc1ccc(nc1)N)c2ccccc2 34a_100015188713_100000211855 [0,2,0,0,0,0|2,0,0]=4 22898 B17R2.209 CC(Oc1ccc(nc1)N)c2ccccc2 7a_100015188713_100000230085 [0,2,0,0,0,0|2,0,0]=4 22899 B17R2.209 CC(Sc1ccc(cc1)Br)c2ccccc2 62a_100000230085_100000752885 [0,2,0,0,0,0|2,0,0]=4 22900 B17R2.209 CC(Sc1ccc(cc1)Br)c2ccccc2 62a_100000752885_100000230085 [0,2,0,0,0,0|2,0,0]=4 22901 B17R2.209 CC(Sc1ccc(cc1)Br)c2cnccn2 62a_100000752885_200000703233 [0,2,0,0,0,0|2,0,0]=4 22902 B17R2.209 CC(Sc1ccc(cc1)Br)c2cnccn2 62a_200000703233_100000752885 [0,2,0,0,0,0|2,0,0]=4 22903 B17R2.209 CC(Sc1ccc(cc1)Cl)c2ccccc2 62a_100000230085_100000755918 [0,2,0,0,0,0|2,0,0]=4 22904 B17R2.209 CC(Sc1ccc(cc1)Cl)c2ccccc2 62a_100000755918_100000230085 [0,2,0,0,0,0|2,0,0]=4 22905 B17R2.209 CC(Sc1ccc(cc1)Cl)c2cnccn2 62a_100000755918_200000703233 [0,2,0,0,0,0|2,0,0]=4 22906 B17R2.209 CC(Sc1ccc(cc1)Cl)c2cnccn2 62a_200000703233_100000755918 [0,2,0,0,0,0|2,0,0]=4 22907 B17R2.209 CC(Sc1ccc(cc1)F)c2ccccc2 62a_100000211213_100000230085 [0,2,0,0,0,0|2,0,0]=4 22908 B17R2.209 CC(Sc1ccc(cc1)F)c2ccccc2 62a_100000230085_100000211213 [0,2,0,0,0,0|2,0,0]=4 22909 B17R2.209 CC(Sc1ccc(cc1)F)c2cnccn2 62a_100000211213_200000703233 [0,2,0,0,0,0|2,0,0]=4 22910 B17R2.209 CC(Sc1ccc(cc1)F)c2cnccn2 62a_200000703233_100000211213 [0,2,0,0,0,0|2,0,0]=4 22911 B17R2.209 CC(Sc1ccc(cc1)N)c2ccccc2 62a_100000185761_100000230085 [0,2,0,0,0,0|2,0,0]=4 22912 B17R2.209 CC(Sc1ccc(cc1)N)c2ccccc2 62a_100000230085_100000185761 [0,2,0,0,0,0|2,0,0]=4 22913 B17R2.209 CC(Sc1ccc(cc1)N)c2cnccn2 62a_100000185761_200000703233 [0,2,0,0,0,0|2,0,0]=4 22914 B17R2.209 CC(Sc1ccc(cc1)N)c2cnccn2 62a_200000703233_100000185761 [0,2,0,0,0,0|2,0,0]=4 22915 B17R2.209 CC(Sc1ccc(cc1)O)c2ccccc2 62a_100000230085_100000185759 [0,2,0,0,0,0|2,0,0]=4 22916 B17R2.209 CC(Sc1ccc(cc1)O)c2cnccn2 62a_200000703233_100000185759 [0,2,0,0,0,0|2,0,0]=4 22917 B17R2.209 CC(Sc1ccc(nc1)Br)c2ccccc2 62a_100000230085_100009814638 [0,2,0,0,0,0|2,0,0]=4 22918 B17R2.209 CC(Sc1ccc(nc1)Br)c2ccccc2 62a_100009814638_100000230085 [0,2,0,0,0,0|2,0,0]=4 22919 B17R2.209 CC(Sc1ccc(nc1)Cl)c2ccccc2 62a_100000034144_100000230085 [0,2,0,0,0,0|2,0,0]=4 22920 B17R2.209 CC(Sc1ccc(nc1)Cl)c2ccccc2 62a_100000230085_100000034144 [0,2,0,0,0,0|2,0,0]=4 22921 B17R2.209 CC(Sc1ccc(nc1)F)c2ccccc2 62a_100000042367_100000230085 [0,2,0,0,0,0|2,0,0]=4 22922 B17R2.209 CC(Sc1ccc(nc1)F)c2ccccc2 62a_100000230085_100000042367 [0,2,0,0,0,0|2,0,0]=4 22923 B17R2.209 CC(Sc1ccc(nc1)N)c2ccccc2 62a_100000187370_100000230085 [0,2,0,0,0,0|2,0,0]=4 22924 B17R2.209 CC(Sc1ccc(nc1)N)c2ccccc2 62a_100000230085_100000187370 [0,2,0,0,0,0|2,0,0]=4 22925 B17R2.209 CN(Cc1ccc(cc1)Br)c2ccccc2 2230a_100000210012_100011217064 [0,2,0,0,0,0|1,0,0]=3 22926 B17R2.209 CN(Cc1ccc(cc1)Br)c2ccccc2 269982a_100000210012_100011217064 [0,2,0,0,0,0|1,0,0]=3 22927 B17R2.209 CN(Cc1ccc(cc1)Br)c2ccccc2 34a_100000210012_100000189115 [0,2,0,0,0,0|1,0,0]=3 22928 B17R2.209 CN(Cc1ccc(cc1)Cl)c2ccccc2 2230a_100000210012_100000694040 [0,2,0,0,0,0|1,0,0]=3 22929 B17R2.209 CN(Cc1ccc(cc1)Cl)c2ccccc2 269982a_100000210012_100000187161 [0,2,0,0,0,0|1,0,0]=3 22930 B17R2.209 CN(Cc1ccc(cc1)Cl)c2ccccc2 34a_100000210012_100000694040 [0,2,0,0,0,0|1,0,0]=3 22931 B17R2.209 CN(Cc1ccc(cc1)F)c2ccccc2 2230a_100000210012_100000198546 [0,2,0,0,0,0|1,0,0]=3 22932 B17R2.209 CN(Cc1ccc(cc1)F)c2ccccc2 269982a_100000210012_100000198546 [0,2,0,0,0,0|1,0,0]=3 22933 B17R2.209 CN(Cc1ccc(cc1)F)c2ccccc2 34a_100000210012_100000198546 [0,2,0,0,0,0|1,0,0]=3 22934 B17R2.209 CN(Cc1ccc(cc1)I)c2ccccc2 2230a_100000210012_100000189116 [0,2,0,0,0,0|1,0,0]=3 22935 B17R2.209 CN(Cc1ccc(cc1)I)c2ccccc2 269982a_100000210012_100000189116 [0,2,0,0,0,0|1,0,0]=3 22936 B17R2.209 CN(Cc1ccc(cc1)I)c2ccccc2 34a_100000210012_100000189116 [0,2,0,0,0,0|1,0,0]=3 22937 B17R2.209 CN(Cc1ccc(cn1)Br)c2ccccc2 2230a_100000210012_100000702658 [0,2,0,0,0,0|2,0,0]=4 22938 B17R2.209 CN(Cc1ccc(cn1)Br)c2ccccc2 269982a_100000210012_100000702658 [0,2,0,0,0,0|2,0,0]=4 22939 B17R2.209 CN(Cc1ccc(cn1)Br)c2ccccc2 34a_100000210012_100000702658 [0,2,0,0,0,0|2,0,0]=4 22940 B17R2.209 CN(Cc1ccc(cn1)Cl)c2ccccc2 2230a_100000210012_100012066911 [0,2,0,0,0,0|2,0,0]=4 22941 B17R2.209 CN(Cc1ccc(cn1)Cl)c2ccccc2 269982a_100000210012_100000697101 [0,2,0,0,0,0|2,0,0]=4 22942 B17R2.209 CN(Cc1ccc(cn1)Cl)c2ccccc2 34a_100000210012_100012066911 [0,2,0,0,0,0|2,0,0]=4 22943 B17R2.209 CN(Cc1ccc(cn1)F)c2ccccc2 2230a_100000210012_100000703193 [0,2,0,0,0,0|2,0,0]=4 22944 B17R2.209 CN(Cc1ccc(cn1)F)c2ccccc2 269982a_100000210012_100000703193 [0,2,0,0,0,0|2,0,0]=4 22945 B17R2.209 CN(Cc1ccc(cn1)F)c2ccccc2 34a_100000210012_100000703193 [0,2,0,0,0,0|2,0,0]=4 22946 B17R2.209 CN(Cc1ccc(nc1)Br)c2ccccc2 2230a_100000210012_100009831999 [0,2,0,0,0,0|0,0,0]=2 22947 B17R2.209 CN(Cc1ccc(nc1)Br)c2ccccc2 269982a_100000210012_100009831999 [0,2,0,0,0,0|0,0,0]=2 22948 B17R2.209 CN(Cc1ccc(nc1)Br)c2ccccc2 34a_100000210012_100009831999 [0,2,0,0,0,0|0,0,0]=2 22949 B17R2.209 CN(Cc1ccc(nc1)Cl)c2ccccc2 2230a_100000210012_100000735431 [0,2,0,0,0,0|0,0,0]=2 22950 B17R2.209 CN(Cc1ccc(nc1)Cl)c2ccccc2 269982a_100000210012_100000735431 [0,2,0,0,0,0|0,0,0]=2 22951 B17R2.209 CN(Cc1ccc(nc1)Cl)c2ccccc2 34a_100000210012_100000735431 [0,2,0,0,0,0|0,0,0]=2 22952 B17R2.209 CN(Cc1ccc(nc1)Cl)c2cccnn2 27a_100000026953_100016991348 [0,2,0,0,0,0|2,0,0]=4 22953 B17R2.209 CN(Cc1ccc(nc1)Cl)c2ccncn2 27a_100000026953_100000703185 [0,2,0,0,0,0|2,0,0]=4 22954 B17R2.209 CN(Cc1ccc(nc1)Cl)c2cnccn2 27a_100000026953_100000211759 [0,2,0,0,0,0|2,0,0]=4 22955 B17R2.209 CN(Cc1ccc(nc1)Cl)c2ncccn2 27a_100000026953_100000211032 [0,2,0,0,0,0|2,0,0]=4 22956 B17R2.209 CN(Cc1ccc(nc1)F)c2ccccc2 2230a_100000210012_100009820150 [0,2,0,0,0,0|0,0,0]=2 22957 B17R2.209 CN(Cc1ccc(nc1)F)c2ccccc2 269982a_100000210012_100009820150 [0,2,0,0,0,0|0,0,0]=2 22958 B17R2.209 CN(Cc1ccc(nc1)F)c2ccccc2 34a_100000210012_100000099788 [0,2,0,0,0,0|0,0,0]=2 22959 B17R2.209 CN(Cc1ccc(nn1)Cl)c2ccccc2 2230a_100000210012_100016992710 [0,2,0,0,0,0|1,0,0]=3 22960 B17R2.209 CN(Cc1ccc(nn1)Cl)c2ccccc2 34a_100000210012_100016992710 [0,2,0,0,0,0|1,0,0]=3 22961 B17R2.209 C[C@@H](Nc1ccc(cn1)Br)c2ccccc2 27a_100000751104_100000686858 [0,2,0,0,0,0|2,0,0]=4 22962 B17R2.209 C[C@@H](Nc1ccc(cn1)Br)c2cnccn2 27a_100020589798_100000686858 [0,2,0,0,0,0|2,0,0]=4 22963 B17R2.209 Cc1ccc(cc1)CC(=O)c2ccccc2 1458a_100000185807_100000210814 [0,2,0,0,0,0|2,0,0]=4 22964 B17R2.209 Cc1ccc(cc1)CC(C)c2ccccc2 271570a_100000062452_100000186775 [0,2,0,0,0,0|2,0,0]=4 22965 B17R2.209 Cc1ccc(cc1)CN(C)c2ccccc2 2230a_100000210012_100000210814 [0,2,0,0,0,0|1,0,0]=3 22966 B17R2.209 Cc1ccc(cc1)CN(C)c2ccccc2 269982a_100000210012_100000210814 [0,2,0,0,0,0|1,0,0]=3 22967 B17R2.209 Cc1ccc(cc1)CN(C)c2ccccc2 34a_100000210012_100000210814 [0,2,0,0,0,0|1,0,0]=3 22968 B17R2.209 Cc1ccc(cc1)NC(=O)c2ccccc2 11a_100000124888_100000185807 [0,2,0,0,0,0|1,0,1]=4 22969 B17R2.209 Cc1ccc(cc1)NC(=O)c2ccccc2 1626a_100000124888_100000185807 [0,2,0,0,0,0|1,0,1]=4 22970 B17R2.209 Cc1ccc(cc1)NC(=O)c2ccccc2 22a_100000124888_100000185807 [0,2,0,0,0,0|1,0,1]=4 22971 B17R2.209 Cc1ccc(cc1)NC(=O)c2ccccc2 527a_100000124888_100000185807 [0,2,0,0,0,0|1,0,1]=4 22972 B17R2.209 Cc1ccc(cc1)NC(C)c2ccccc2 34a_100000124888_100000211855 [0,2,0,0,0,0|1,0,0]=3 22973 B17R2.209 Cc1ccc(cc1)OC(C)c2ccccc2 34a_100000210336_100000211855 [0,2,0,0,0,0|2,0,0]=4 22974 B17R2.209 Cc1ccc(cc1)OC(C)c2ccccc2 7a_100000210336_100000230085 [0,2,0,0,0,0|2,0,0]=4 22975 B17R2.209 Cc1ccc(cc1)OC(C)c2cnccn2 7a_100000210336_200000703233 [0,2,0,0,0,0|2,0,0]=4 22976 B17R2.209 Cc1ccc(cc1)SC(C)c2ccccc2 62a_100000186775_100000230085 [0,2,0,0,0,0|2,0,0]=4 22977 B17R2.209 Cc1ccc(cc1)SC(C)c2ccccc2 62a_100000230085_100000186775 [0,2,0,0,0,0|2,0,0]=4 22978 B17R2.209 Cc1ccc(cc1)SC(C)c2cnccn2 62a_100000186775_200000703233 [0,2,0,0,0,0|2,0,0]=4 22979 B17R2.209 Cc1ccc(cc1)SC(C)c2cnccn2 62a_200000703233_100000186775 [0,2,0,0,0,0|2,0,0]=4 22980 B17R2.209 Cc1ccc(cn1)CC(=O)c2ccccc2 1458a_100000185807_100016987292 [0,2,0,0,0,0|1,0,0]=3 22981 B17R2.209 Cc1ccc(cn1)CC(C)c2ccccc2 271570a_100000062452_100000751577 [0,2,0,0,0,0|1,0,0]=3 22982 B17R2.209 Cc1ccc(cn1)CN(C)c2ccccc2 2230a_100000210012_100016987292 [0,2,0,0,0,0|0,0,0]=2 22983 B17R2.209 Cc1ccc(cn1)CN(C)c2ccccc2 269982a_100000210012_100016987292 [0,2,0,0,0,0|0,0,0]=2 22984 B17R2.209 Cc1ccc(cn1)CN(C)c2ccccc2 34a_100000210012_100016987292 [0,2,0,0,0,0|0,0,0]=2 22985 B17R2.209 Cc1ccc(cn1)CN(C)c2cccnn2 27a_106623407658_100016991348 [0,2,0,0,0,0|2,0,0]=4 22986 B17R2.209 Cc1ccc(cn1)CN(C)c2ccncn2 27a_106623407658_100000703185 [0,2,0,0,0,0|2,0,0]=4 22987 B17R2.209 Cc1ccc(cn1)CN(C)c2cnccn2 27a_106623407658_100000211759 [0,2,0,0,0,0|2,0,0]=4 22988 B17R2.209 Cc1ccc(cn1)CN(C)c2ncccn2 27a_106623407658_100000211032 [0,2,0,0,0,0|2,0,0]=4 22989 B17R2.209 Cc1ccc(cn1)OC(C)c2ccccc2 34a_100000745506_100000211855 [0,2,0,0,0,0|2,0,0]=4 22990 B17R2.209 Cc1ccc(cn1)OC(C)c2ccccc2 7a_100000745506_100000230085 [0,2,0,0,0,0|2,0,0]=4 22991 B17R2.209 Cc1ccc(cn1)SC(C)c2ccccc2 62a_100000230085_100000751577 [0,2,0,0,0,0|2,0,0]=4 22992 B17R2.209 Cc1ccc(cn1)SC(C)c2ccccc2 62a_100000751577_100000230085 [0,2,0,0,0,0|2,0,0]=4 22993 B17R2.209 Cc1ccc(nc1)CN(C)c2ccccc2 2230a_100000210012_100000691093 [0,2,0,0,0,0|2,0,0]=4 22994 B17R2.209 Cc1ccc(nc1)CN(C)c2ccccc2 269982a_100000210012_100000691093 [0,2,0,0,0,0|2,0,0]=4 22995 B17R2.209 Cc1ccc(nc1)CN(C)c2ccccc2 34a_100000210012_100000691093 [0,2,0,0,0,0|2,0,0]=4 22996 B17R2.209 Cc1ccc(nn1)CC(C)c2ccccc2 271570a_100000062452_100011450037 [0,2,0,0,0,0|2,0,0]=4 22997 B17R2.209 Cc1ccc(nn1)NC(C)c2cccnc2 27a_100000195435_100000744512 [0,2,0,0,0,0|2,0,0]=4 22998 B17R2.209 Cc1cnc(cn1)CC(=O)c2ccccc2 1458a_100000185807_100000752025 [0,2,0,0,0,0|2,0,0]=4 22999 B17R2.209 Cc1cnc(cn1)CC(C)c2ccccc2 271570a_100000062452_100011999403 [0,2,0,0,0,0|2,0,0]=4 23000 B17R2.209 Cc1cnc(cn1)CN(C)c2ccccc2 2230a_100000210012_100000752025 [0,2,0,0,0,0|1,0,0]=3 23001 B17R2.209 Cc1cnc(cn1)CN(C)c2ccccc2 269982a_100000210012_100000752025 [0,2,0,0,0,0|1,0,0]=3 23002 B17R2.209 Cc1cnc(cn1)NC(C)c2cccnc2 27a_100000195435_100000074397 [0,2,0,0,0,0|2,0,0]=4 23003 B17R2.209 Cc1cnc(nc1)NC(C)c2cccnc2 27a_100000195435_100000061069 [0,2,0,0,0,0|2,0,0]=4 23004 B17R2.209 Cc1ncc(cn1)CC(C)c2ccccc2 271570a_100000062452_100000686985 [0,2,0,0,0,0|2,0,0]=4 23005 B17R2.209 O=C(Cc1ccc(cc1)Br)c2ccccc2 1458a_100000185807_100000189115 [0,2,0,0,0,0|2,0,0]=4 23006 B17R2.209 O=C(Cc1ccc(cc1)Cl)c2ccccc2 1458a_100000185807_100000694040 [0,2,0,0,0,0|2,0,0]=4 23007 B17R2.209 O=C(Cc1ccc(cc1)F)c2ccccc2 1458a_100000185807_100000198546 [0,2,0,0,0,0|2,0,0]=4 23008 B17R2.209 O=C(Cc1ccc(cc1)I)c2ccccc2 1458a_100000185807_100000189116 [0,2,0,0,0,0|2,0,0]=4 23009 B17R2.209 O=C(Cc1ccc(cc1)O)c2ccccc2 271570a_203496583355_100011267665 [0,2,0,0,0,0|2,0,0]=4 23010 B17R2.209 O=C(Cc1ccc(nc1)Br)c2ccccc2 1458a_100000185807_100009831999 [0,2,0,0,0,0|1,0,0]=3 23011 B17R2.209 O=C(Cc1ccc(nc1)Cl)c2ccccc2 1458a_100000185807_100000735431 [0,2,0,0,0,0|1,0,0]=3 23012 B17R2.209 O=C(Cc1ccc(nc1)F)c2ccccc2 1458a_100000185807_100009820150 [0,2,0,0,0,0|1,0,0]=3 23013 B17R2.209 O=C(Cc1ccc(nn1)Cl)c2ccccc2 1458a_100000185807_100016992710 [0,2,0,0,0,0|2,0,0]=4 23014 B17R2.209 O=C(Nc1ccc(cc1)Br)c2ccccc2 11a_100000210018_100000185807 [0,2,0,0,0,0|1,0,1]=4 23015 B17R2.209 O=C(Nc1ccc(cc1)Br)c2ccccc2 1626a_100000210018_100000185807 [0,2,0,0,0,0|1,0,1]=4 23016 B17R2.209 O=C(Nc1ccc(cc1)Br)c2ccccc2 22a_100000210018_100000185807 [0,2,0,0,0,0|1,0,1]=4 23017 B17R2.209 O=C(Nc1ccc(cc1)Br)c2ccccc2 527a_100000210018_100000185807 [0,2,0,0,0,0|1,0,1]=4 23018 B17R2.209 O=C(Nc1ccc(cc1)Cl)c2ccccc2 11a_100000210052_100000185807 [0,2,0,0,0,0|1,0,1]=4 23019 B17R2.209 O=C(Nc1ccc(cc1)Cl)c2ccccc2 1626a_100000210052_100000185807 [0,2,0,0,0,0|1,0,1]=4 23020 B17R2.209 O=C(Nc1ccc(cc1)Cl)c2ccccc2 22a_100000210052_100000185807 [0,2,0,0,0,0|1,0,1]=4 23021 B17R2.209 O=C(Nc1ccc(cc1)Cl)c2ccccc2 527a_100000210052_100000185807 [0,2,0,0,0,0|1,0,1]=4 23022 B17R2.209 O=C(Nc1ccc(cc1)F)c2ccccc2 11a_100000185862_100000185807 [0,2,0,0,0,0|1,0,1]=4 23023 B17R2.209 O=C(Nc1ccc(cc1)F)c2ccccc2 1626a_100000185862_100000185807 [0,2,0,0,0,0|1,0,1]=4 23024 B17R2.209 O=C(Nc1ccc(cc1)F)c2ccccc2 22a_100000185862_100000185807 [0,2,0,0,0,0|1,0,1]=4 23025 B17R2.209 O=C(Nc1ccc(cc1)F)c2ccccc2 527a_100000185862_100000185807 [0,2,0,0,0,0|1,0,1]=4 23026 B17R2.209 O=C(Nc1ccc(cc1)I)c2ccccc2 11a_100000185761_100000185807 [0,2,0,0,0,0|1,0,1]=4 23027 B17R2.209 O=C(Nc1ccc(cc1)I)c2ccccc2 1626a_100000185761_100000185807 [0,2,0,0,0,0|1,0,1]=4 23028 B17R2.209 O=C(Nc1ccc(cc1)I)c2ccccc2 22a_100000185761_100000185807 [0,2,0,0,0,0|1,0,1]=4 23029 B17R2.209 O=C(Nc1ccc(cc1)I)c2ccccc2 527a_100000185761_100000185807 [0,2,0,0,0,0|1,0,1]=4 23030 B17R2.209 O=C(Nc1ccc(cc1)O)c2ccccc2 22a_100000185829_100000185807 [0,2,0,0,0,0|1,0,1]=4 23031 B17R2.209 O=C(Nc1ccc(cc1)O)c2ccccc2 271570a_203496583355_100000155230 [0,2,0,0,0,0|1,0,1]=4 23032 B17R2.5273 CN(Cc1ccccc1)c2cc(ccn2)F 27a_100000186898_100000764206 [0,2,0,0,0,0|2,0,0]=4 23033 B17R2.5273 CN(Cc1ccccc1)c2cc[nH]c(=O)c2 27a_100000186898_100000061649 [0,2,0,0,0,0|2,0,0]=4 23034 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Br 2230a_100000219648_100015291786 [0,2,0,0,0,0|1,0,0]=3 23035 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Br 2230a_100000224063_200000210301 [0,2,0,0,0,0|1,0,0]=3 23036 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Br 269982a_100000219648_100000211182 [0,2,0,0,0,0|1,0,0]=3 23037 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Br 269982a_100000224063_200000210301 [0,2,0,0,0,0|1,0,0]=3 23038 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Br 34a_100000219648_100015291786 [0,2,0,0,0,0|1,0,0]=3 23039 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Br 34a_100000224063_200000210301 [0,2,0,0,0,0|1,0,0]=3 23040 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Cl 2230a_100000220044_100015291786 [0,2,0,0,0,0|1,0,0]=3 23041 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Cl 2230a_100102953027_200000210301 [0,2,0,0,0,0|1,0,0]=3 23042 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Cl 269982a_100000220044_100000211182 [0,2,0,0,0,0|1,0,0]=3 23043 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Cl 269982a_100102953027_200000210301 [0,2,0,0,0,0|1,0,0]=3 23044 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Cl 34a_100000220044_100015291786 [0,2,0,0,0,0|1,0,0]=3 23045 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Cl 34a_100102953027_200000210301 [0,2,0,0,0,0|1,0,0]=3 23046 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)F 2230a_100020633736_100015291786 [0,2,0,0,0,0|1,0,0]=3 23047 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)F 2230a_100102952868_200000210301 [0,2,0,0,0,0|1,0,0]=3 23048 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)F 269982a_100020633736_100000211182 [0,2,0,0,0,0|1,0,0]=3 23049 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)F 269982a_100102952868_200000210301 [0,2,0,0,0,0|1,0,0]=3 23050 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)F 34a_100020633736_100015291786 [0,2,0,0,0,0|1,0,0]=3 23051 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)F 34a_100102952868_200000210301 [0,2,0,0,0,0|1,0,0]=3 23052 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)I 2230a_100000221217_100015291786 [0,2,0,0,0,0|1,0,0]=3 23053 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)I 269982a_100000221217_100000211182 [0,2,0,0,0,0|1,0,0]=3 23054 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)I 34a_100000221217_100015291786 [0,2,0,0,0,0|1,0,0]=3 23055 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)O 2230a_100000756613_100015291786 [0,2,0,0,0,0|1,0,0]=3 23056 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)O 269982a_100000756613_100000211182 [0,2,0,0,0,0|1,0,0]=3 23057 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)O 34a_100000756613_100015291786 [0,2,0,0,0,0|1,0,0]=3 23058 B17R2.5273 CN(Cc1ccccc1)c2cccc(n2)F 27a_100000186898_100009815982 [0,2,0,0,0,0|2,0,0]=4 23059 B17R2.5273 CN(Cc1ccccc1)c2ccnc(c2)F 27a_100000186898_100009816116 [0,2,0,0,0,0|2,0,0]=4 23060 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)Br 2230a_100000219648_100000721315 [0,2,0,0,0,0|2,0,0]=4 23061 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)Br 269982a_100000219648_100000721315 [0,2,0,0,0,0|2,0,0]=4 23062 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)Br 34a_100000219648_100000721315 [0,2,0,0,0,0|2,0,0]=4 23063 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)Cl 2230a_100000220044_100000721315 [0,2,0,0,0,0|2,0,0]=4 23064 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)Cl 269982a_100000220044_100000721315 [0,2,0,0,0,0|2,0,0]=4 23065 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)Cl 34a_100000220044_100000721315 [0,2,0,0,0,0|2,0,0]=4 23066 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)F 2230a_100020633736_100000721315 [0,2,0,0,0,0|2,0,0]=4 23067 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)F 269982a_100020633736_100000721315 [0,2,0,0,0,0|2,0,0]=4 23068 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)F 34a_100020633736_100000721315 [0,2,0,0,0,0|2,0,0]=4 23069 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)I 2230a_100000221217_100000721315 [0,2,0,0,0,0|2,0,0]=4 23070 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)I 269982a_100000221217_100000721315 [0,2,0,0,0,0|2,0,0]=4 23071 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)I 34a_100000221217_100000721315 [0,2,0,0,0,0|2,0,0]=4 23072 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)O 2230a_100000756613_100000721315 [0,2,0,0,0,0|2,0,0]=4 23073 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)O 269982a_100000756613_100000721315 [0,2,0,0,0,0|2,0,0]=4 23074 B17R2.5273 CN(Cc1ccccn1)c2cccc(c2)O 34a_100000756613_100000721315 [0,2,0,0,0,0|2,0,0]=4 23075 B17R2.5273 CN(Cc1cccnc1)c2c[n+](ccn2)[O-] 27a_100000184577_100009880115 [0,2,0,0,0,0|2,0,0]=4 23076 B17R2.5273 CN(Cc1cccnc1)c2cc(ccn2)F 27a_100000184577_100000764206 [0,2,0,0,0,0|1,0,0]=3 23077 B17R2.5273 CN(Cc1cccnc1)c2cc(ncn2)F 27a_100000184577_200009880791 [0,2,0,0,0,0|2,0,0]=4 23078 B17R2.5273 CN(Cc1cccnc1)c2cc(ncn2)N 27a_100000184577_100000701291 [0,2,0,0,0,0|2,0,0]=4 23079 B17R2.5273 CN(Cc1cccnc1)c2cc(ncn2)O 27a_100000184577_100000765262 [0,2,0,0,0,0|2,0,0]=4 23080 B17R2.5273 CN(Cc1cccnc1)c2cc[nH]c(=O)c2 27a_100000184577_100000061649 [0,2,0,0,0,0|1,0,0]=3 23081 B17R2.5273 CN(Cc1cccnc1)c2cc[nH]c(=O)n2 27a_100000184577_200000134032 [0,2,0,0,0,0|2,0,0]=4 23082 B17R2.5273 CN(Cc1cccnc1)c2cccc(c2)Br 2230a_100000219648_100000741622 [0,2,0,0,0,0|0,0,0]=2 23083 B17R2.5273 CN(Cc1cccnc1)c2cccc(c2)Br 269982a_100000219648_100000733263 [0,2,0,0,0,0|0,0,0]=2 23084 B17R2.5273 CN(Cc1cccnc1)c2cccc(c2)Br 34a_100000219648_100000733263 [0,2,0,0,0,0|0,0,0]=2 23085 B17R2.5273 CN(Cc1cccnc1)c2cccc(c2)Cl 2230a_100000220044_100000741622 [0,2,0,0,0,0|0,0,0]=2 23086 B17R2.5273 CN(Cc1cccnc1)c2cccc(c2)Cl 269982a_100000220044_100000733263 [0,2,0,0,0,0|0,0,0]=2 23087 B17R2.5273 CN(Cc1cccnc1)c2cccc(c2)Cl 34a_100000220044_100000733263 [0,2,0,0,0,0|0,0,0]=2 23088 B17R2.5273 CN(Cc1cccnc1)c2cccc(c2)F 2230a_100020633736_100000741622 [0,2,0,0,0,0|0,0,0]=2 23089 B17R2.5273 CN(Cc1cccnc1)c2cccc(c2)F 269982a_100020633736_100000733263 [0,2,0,0,0,0|0,0,0]=2 23090 B17R2.5273 CN(Cc1cccnc1)c2cccc(c2)F 34a_100020633736_100000733263 [0,2,0,0,0,0|0,0,0]=2 23091 B17R2.5273 CN(Cc1cccnc1)c2cccc(c2)I 2230a_100000221217_100000741622 [0,2,0,0,0,0|0,0,0]=2 23092 B17R2.5273 CN(Cc1cccnc1)c2cccc(c2)I 269982a_100000221217_100000733263 [0,2,0,0,0,0|0,0,0]=2 23093 B17R2.5273 CN(Cc1cccnc1)c2cccc(c2)I 34a_100000221217_100000733263 [0,2,0,0,0,0|0,0,0]=2 23094 B17R2.5273 CN(Cc1cccnc1)c2cccc(c2)O 2230a_100000756613_100000741622 [0,2,0,0,0,0|0,0,0]=2 23095 B17R2.5273 CN(Cc1cccnc1)c2cccc(c2)O 269982a_100000756613_100000733263 [0,2,0,0,0,0|0,0,0]=2 23096 B17R2.5273 CN(Cc1cccnc1)c2cccc(c2)O 34a_100000756613_100000733263 [0,2,0,0,0,0|0,0,0]=2 23097 B17R2.5273 CN(Cc1cccnc1)c2cccc(n2)F 27a_100000184577_100009815982 [0,2,0,0,0,0|1,0,0]=3 23098 B17R2.5273 CN(Cc1cccnc1)c2ccnc(c2)F 27a_100000184577_100009816116 [0,2,0,0,0,0|1,0,0]=3 23099 B17R2.5273 CN(Cc1cccnc1)c2ccnc(n2)N 27a_100000184577_100000055538 [0,2,0,0,0,0|2,0,0]=4 23100 B17R2.5273 CN(Cc1cccnc1)c2cncc(n2)Cl 27a_100000184577_100010892449 [0,2,0,0,0,0|2,0,0]=4 23101 B17R2.5273 CN(Cc1cccnc1)c2cncc(n2)F 27a_100000184577_200009863489 [0,2,0,0,0,0|2,0,0]=4 23102 B17R2.5273 CN(Cc1cccnc1)c2nccc(n2)N 27a_100000184577_100000757536 [0,2,0,0,0,0|2,0,0]=4 23103 B17R2.5273 CN(Cc1cccnc1)c2nccc(n2)O 27a_100000184577_100011649813 [0,2,0,0,0,0|2,0,0]=4 23104 B17R2.5273 CN(Cc1cccnn1)c2cccc(c2)Br 2230a_100000219648_100016990269 [0,2,0,0,0,0|1,0,0]=3 23105 B17R2.5273 CN(Cc1cccnn1)c2cccc(c2)Br 34a_100000219648_100016990269 [0,2,0,0,0,0|1,0,0]=3 23106 B17R2.5273 CN(Cc1cccnn1)c2cccc(c2)Cl 2230a_100000220044_100016990269 [0,2,0,0,0,0|1,0,0]=3 23107 B17R2.5273 CN(Cc1cccnn1)c2cccc(c2)Cl 34a_100000220044_100016990269 [0,2,0,0,0,0|1,0,0]=3 23108 B17R2.5273 CN(Cc1cccnn1)c2cccc(c2)F 2230a_100020633736_100016990269 [0,2,0,0,0,0|1,0,0]=3 23109 B17R2.5273 CN(Cc1cccnn1)c2cccc(c2)F 34a_100020633736_100016990269 [0,2,0,0,0,0|1,0,0]=3 23110 B17R2.5273 CN(Cc1cccnn1)c2cccc(c2)I 2230a_100000221217_100016990269 [0,2,0,0,0,0|1,0,0]=3 23111 B17R2.5273 CN(Cc1cccnn1)c2cccc(c2)I 34a_100000221217_100016990269 [0,2,0,0,0,0|1,0,0]=3 23112 B17R2.5273 CN(Cc1cccnn1)c2cccc(c2)O 2230a_100000756613_100016990269 [0,2,0,0,0,0|1,0,0]=3 23113 B17R2.5273 CN(Cc1cccnn1)c2cccc(c2)O 34a_100000756613_100016990269 [0,2,0,0,0,0|1,0,0]=3 23114 B17R2.5273 CN(Cc1ccncc1)c2cccc(c2)Br 2230a_100000219648_100015193705 [0,2,0,0,0,0|2,0,0]=4 23115 B17R2.5273 CN(Cc1ccncc1)c2cccc(c2)Br 269982a_100000219648_100015193705 [0,2,0,0,0,0|2,0,0]=4 23116 B17R2.5273 CN(Cc1ccncc1)c2cccc(c2)Cl 2230a_100000220044_100015193705 [0,2,0,0,0,0|2,0,0]=4 23117 B17R2.5273 CN(Cc1ccncc1)c2cccc(c2)Cl 269982a_100000220044_100015193705 [0,2,0,0,0,0|2,0,0]=4 23118 B17R2.5273 CN(Cc1ccncc1)c2cccc(c2)F 2230a_100020633736_100015193705 [0,2,0,0,0,0|2,0,0]=4 23119 B17R2.5273 CN(Cc1ccncc1)c2cccc(c2)F 269982a_100020633736_100015193705 [0,2,0,0,0,0|2,0,0]=4 23120 B17R2.5273 CN(Cc1ccncc1)c2cccc(c2)I 2230a_100000221217_100015193705 [0,2,0,0,0,0|2,0,0]=4 23121 B17R2.5273 CN(Cc1ccncc1)c2cccc(c2)I 269982a_100000221217_100015193705 [0,2,0,0,0,0|2,0,0]=4 23122 B17R2.5273 CN(Cc1ccncc1)c2cccc(c2)O 2230a_100000756613_100015193705 [0,2,0,0,0,0|2,0,0]=4 23123 B17R2.5273 CN(Cc1ccncc1)c2cccc(c2)O 269982a_100000756613_100015193705 [0,2,0,0,0,0|2,0,0]=4 23124 B17R2.5273 CN(Cc1cnccn1)c2cc(ccn2)F 27a_100011269079_100000764206 [0,2,0,0,0,0|2,0,0]=4 23125 B17R2.5273 CN(Cc1cnccn1)c2cc[nH]c(=O)c2 27a_100011269079_100000061649 [0,2,0,0,0,0|2,0,0]=4 23126 B17R2.5273 CN(Cc1cnccn1)c2cccc(c2)Br 2230a_100000219648_100016995436 [0,2,0,0,0,0|1,0,0]=3 23127 B17R2.5273 CN(Cc1cnccn1)c2cccc(c2)Br 269982a_100000219648_100016995436 [0,2,0,0,0,0|1,0,0]=3 23128 B17R2.5273 CN(Cc1cnccn1)c2cccc(c2)Br 34a_100000219648_100016995436 [0,2,0,0,0,0|1,0,0]=3 23129 B17R2.5273 CN(Cc1cnccn1)c2cccc(c2)Cl 2230a_100000220044_100016995436 [0,2,0,0,0,0|1,0,0]=3 23130 B17R2.5273 CN(Cc1cnccn1)c2cccc(c2)Cl 269982a_100000220044_100016995436 [0,2,0,0,0,0|1,0,0]=3 23131 B17R2.5273 CN(Cc1cnccn1)c2cccc(c2)Cl 34a_100000220044_100016995436 [0,2,0,0,0,0|1,0,0]=3 23132 B17R2.5273 CN(Cc1cnccn1)c2cccc(c2)F 2230a_100020633736_100016995436 [0,2,0,0,0,0|1,0,0]=3 23133 B17R2.5273 CN(Cc1cnccn1)c2cccc(c2)F 269982a_100020633736_100016995436 [0,2,0,0,0,0|1,0,0]=3 23134 B17R2.5273 CN(Cc1cnccn1)c2cccc(c2)F 34a_100020633736_100016995436 [0,2,0,0,0,0|1,0,0]=3 23135 B17R2.5273 CN(Cc1cnccn1)c2cccc(c2)I 2230a_100000221217_100016995436 [0,2,0,0,0,0|1,0,0]=3 23136 B17R2.5273 CN(Cc1cnccn1)c2cccc(c2)I 269982a_100000221217_100016995436 [0,2,0,0,0,0|1,0,0]=3 23137 B17R2.5273 CN(Cc1cnccn1)c2cccc(c2)I 34a_100000221217_100016995436 [0,2,0,0,0,0|1,0,0]=3 23138 B17R2.5273 CN(Cc1cnccn1)c2cccc(c2)O 2230a_100000756613_100016995436 [0,2,0,0,0,0|1,0,0]=3 23139 B17R2.5273 CN(Cc1cnccn1)c2cccc(c2)O 269982a_100000756613_100016995436 [0,2,0,0,0,0|1,0,0]=3 23140 B17R2.5273 CN(Cc1cnccn1)c2cccc(c2)O 34a_100000756613_100016995436 [0,2,0,0,0,0|1,0,0]=3 23141 B17R2.5273 CN(Cc1cnccn1)c2cccc(n2)F 27a_100011269079_100009815982 [0,2,0,0,0,0|2,0,0]=4 23142 B17R2.5273 CN(Cc1cnccn1)c2ccnc(c2)F 27a_100011269079_100009816116 [0,2,0,0,0,0|2,0,0]=4 23143 B17R2.5273 CN(Cc1cncnc1)c2cccc(c2)Br 2230a_100000219648_100015196519 [0,2,0,0,0,0|1,0,0]=3 23144 B17R2.5273 CN(Cc1cncnc1)c2cccc(c2)Br 269982a_100000219648_100016991940 [0,2,0,0,0,0|1,0,0]=3 23145 B17R2.5273 CN(Cc1cncnc1)c2cccc(c2)Br 34a_100000219648_100015196519 [0,2,0,0,0,0|1,0,0]=3 23146 B17R2.5273 CN(Cc1cncnc1)c2cccc(c2)Cl 2230a_100000220044_100015196519 [0,2,0,0,0,0|1,0,0]=3 23147 B17R2.5273 CN(Cc1cncnc1)c2cccc(c2)Cl 269982a_100000220044_100016991940 [0,2,0,0,0,0|1,0,0]=3 23148 B17R2.5273 CN(Cc1cncnc1)c2cccc(c2)Cl 34a_100000220044_100015196519 [0,2,0,0,0,0|1,0,0]=3 23149 B17R2.5273 CN(Cc1cncnc1)c2cccc(c2)F 2230a_100020633736_100015196519 [0,2,0,0,0,0|1,0,0]=3 23150 B17R2.5273 CN(Cc1cncnc1)c2cccc(c2)F 269982a_100020633736_100016991940 [0,2,0,0,0,0|1,0,0]=3 23151 B17R2.5273 CN(Cc1cncnc1)c2cccc(c2)F 34a_100020633736_100015196519 [0,2,0,0,0,0|1,0,0]=3 23152 B17R2.5273 CN(Cc1cncnc1)c2cccc(c2)I 2230a_100000221217_100015196519 [0,2,0,0,0,0|1,0,0]=3 23153 B17R2.5273 CN(Cc1cncnc1)c2cccc(c2)I 269982a_100000221217_100016991940 [0,2,0,0,0,0|1,0,0]=3 23154 B17R2.5273 CN(Cc1cncnc1)c2cccc(c2)I 34a_100000221217_100015196519 [0,2,0,0,0,0|1,0,0]=3 23155 B17R2.5273 CN(Cc1cncnc1)c2cccc(c2)O 2230a_100000756613_100015196519 [0,2,0,0,0,0|1,0,0]=3 23156 B17R2.5273 CN(Cc1cncnc1)c2cccc(c2)O 269982a_100000756613_100016991940 [0,2,0,0,0,0|1,0,0]=3 23157 B17R2.5273 CN(Cc1cncnc1)c2cccc(c2)O 34a_100000756613_100015196519 [0,2,0,0,0,0|1,0,0]=3 23158 B17R2.5273 C[C@@H](Nc1cccnn1)c2cncc(c2)Br 27a_100012350620_100016991348 [0,2,0,0,0,0|2,0,0]=4 23159 B17R2.5273 C[C@@H](Nc1ccncn1)c2cncc(c2)Br 27a_100012350620_100000703185 [0,2,0,0,0,0|2,0,0]=4 23160 B17R2.5273 C[C@@H](Nc1cnccn1)c2cncc(c2)Br 27a_100012350620_100000211759 [0,2,0,0,0,0|2,0,0]=4 23161 B17R2.5273 C[C@@H](Nc1ncccn1)c2cncc(c2)Br 27a_100012350620_100000211032 [0,2,0,0,0,0|2,0,0]=4 23162 B17R2.5273 Cc1cc(ccn1)N(C)Cc2ccccc2 27a_100000186898_100000758586 [0,2,0,0,0,0|2,0,0]=4 23163 B17R2.5273 Cc1cc(ccn1)N(C)Cc2cccnc2 27a_100000184577_100000758586 [0,2,0,0,0,0|1,0,0]=3 23164 B17R2.5273 Cc1cc(ccn1)N(C)Cc2cnccn2 27a_100011269079_100000758586 [0,2,0,0,0,0|2,0,0]=4 23165 B17R2.5273 Cc1cc(ncn1)N(C)Cc2cccnc2 27a_100000184577_100000744208 [0,2,0,0,0,0|2,0,0]=4 23166 B17R2.5273 Cc1cccc(c1)C(=O)Cc2ccccc2 1458a_100000189346_100015291786 [0,2,0,0,0,0|2,0,0]=4 23167 B17R2.5273 Cc1cccc(c1)C(=O)Cc2cccnc2 1458a_100000189346_100000733263 [0,2,0,0,0,0|1,0,0]=3 23168 B17R2.5273 Cc1cccc(c1)C(=O)Cc2cccnn2 1458a_100000189346_100016990269 [0,2,0,0,0,0|2,0,0]=4 23169 B17R2.5273 Cc1cccc(c1)C(=O)Cc2cnccn2 1458a_100000189346_100016995436 [0,2,0,0,0,0|2,0,0]=4 23170 B17R2.5273 Cc1cccc(c1)C(=O)Cc2cncnc2 1458a_100000189346_100015196519 [0,2,0,0,0,0|2,0,0]=4 23171 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 11a_100000106764_100000189346 [0,2,0,0,0,0|1,0,1]=4 23172 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 1626a_100000106764_100000189346 [0,2,0,0,0,0|1,0,1]=4 23173 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 22a_100000106764_100000189346 [0,2,0,0,0,0|1,0,1]=4 23174 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 527a_100000106764_100000189346 [0,2,0,0,0,0|1,0,1]=4 23175 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccc2 2230a_100000185206_200000210301 [0,2,0,0,0,0|1,0,0]=3 23176 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccc2 2230a_100000219674_100015291786 [0,2,0,0,0,0|1,0,0]=3 23177 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccc2 269982a_100000185206_200000210301 [0,2,0,0,0,0|1,0,0]=3 23178 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccc2 269982a_100000219674_100000211182 [0,2,0,0,0,0|1,0,0]=3 23179 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccc2 34a_100000185206_200000210301 [0,2,0,0,0,0|1,0,0]=3 23180 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccc2 34a_100000219674_100015291786 [0,2,0,0,0,0|1,0,0]=3 23181 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccn2 2230a_100000219674_100000721315 [0,2,0,0,0,0|2,0,0]=4 23182 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccn2 269982a_100000219674_100000721315 [0,2,0,0,0,0|2,0,0]=4 23183 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccn2 34a_100000219674_100000721315 [0,2,0,0,0,0|2,0,0]=4 23184 B17R2.5273 Cc1cccc(c1)N(C)Cc2cccnc2 2230a_100000219674_100000741622 [0,2,0,0,0,0|0,0,0]=2 23185 B17R2.5273 Cc1cccc(c1)N(C)Cc2cccnc2 269982a_100000219674_100000733263 [0,2,0,0,0,0|0,0,0]=2 23186 B17R2.5273 Cc1cccc(c1)N(C)Cc2cccnc2 34a_100000219674_100000733263 [0,2,0,0,0,0|0,0,0]=2 23187 B17R2.5273 Cc1cccc(c1)N(C)Cc2cccnn2 2230a_100000219674_100016990269 [0,2,0,0,0,0|1,0,0]=3 23188 B17R2.5273 Cc1cccc(c1)N(C)Cc2cccnn2 34a_100000219674_100016990269 [0,2,0,0,0,0|1,0,0]=3 23189 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccncc2 2230a_100000219674_100015193705 [0,2,0,0,0,0|2,0,0]=4 23190 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccncc2 269982a_100000219674_100015193705 [0,2,0,0,0,0|2,0,0]=4 23191 B17R2.5273 Cc1cccc(c1)N(C)Cc2cnccn2 2230a_100000219674_100016995436 [0,2,0,0,0,0|1,0,0]=3 23192 B17R2.5273 Cc1cccc(c1)N(C)Cc2cnccn2 269982a_100000219674_100016995436 [0,2,0,0,0,0|1,0,0]=3 23193 B17R2.5273 Cc1cccc(c1)N(C)Cc2cnccn2 34a_100000219674_100016995436 [0,2,0,0,0,0|1,0,0]=3 23194 B17R2.5273 Cc1cccc(c1)N(C)Cc2cncnc2 2230a_100000219674_100015196519 [0,2,0,0,0,0|1,0,0]=3 23195 B17R2.5273 Cc1cccc(c1)N(C)Cc2cncnc2 269982a_100000219674_100016991940 [0,2,0,0,0,0|1,0,0]=3 23196 B17R2.5273 Cc1cccc(c1)N(C)Cc2cncnc2 34a_100000219674_100015196519 [0,2,0,0,0,0|1,0,0]=3 23197 B17R2.5273 Cc1cccc(c1)N([13CH3])Cc2ccccc2 2230a_100000185206_200025704644 [0,2,0,0,0,0|1,0,0]=3 23198 B17R2.5273 Cc1cccc(c1)N([13CH3])Cc2ccccc2 269982a_100000185206_200025704644 [0,2,0,0,0,0|1,0,0]=3 23199 B17R2.5273 Cc1cccc(c1)N([13CH3])Cc2ccccc2 34a_100000185206_200025704644 [0,2,0,0,0,0|1,0,0]=3 23200 B17R2.5273 Cc1ccnc(n1)N(C)Cc2cccnc2 27a_100000184577_100000750684 [0,2,0,0,0,0|2,0,0]=4 23201 B17R2.5273 Cc1cncc(n1)N(C)Cc2cccnc2 27a_100000184577_100000754123 [0,2,0,0,0,0|2,0,0]=4 23202 B17R2.5273 Cc1cnnc(c1)N(C)Cc2cccnc2 27a_100000184577_100000070100 [0,2,0,0,0,0|2,0,0]=4 23203 B17R2.5273 Cc1nccc(n1)N(C)Cc2cccnc2 27a_100000184577_100000749937 [0,2,0,0,0,0|2,0,0]=4 23204 B17R2.5273 O=C(Cc1ccccc1)c2cccc(c2)Br 1458a_100000210664_100015291786 [0,2,0,0,0,0|2,0,0]=4 23205 B17R2.5273 O=C(Cc1ccccc1)c2cccc(c2)Cl 1458a_100000210390_100015291786 [0,2,0,0,0,0|2,0,0]=4 23206 B17R2.5273 O=C(Cc1ccccc1)c2cccc(c2)F 1458a_100000210950_100015291786 [0,2,0,0,0,0|2,0,0]=4 23207 B17R2.5273 O=C(Cc1ccccc1)c2cccc(c2)I 1458a_100000184098_100015291786 [0,2,0,0,0,0|2,0,0]=4 23208 B17R2.5273 O=C(Cc1ccccc1)c2cccc(c2)O 1458a_100000183914_100015291786 [0,2,0,0,0,0|2,0,0]=4 23209 B17R2.5273 O=C(Cc1cccnc1)c2cccc(c2)Br 1458a_100000210664_100000733263 [0,2,0,0,0,0|1,0,0]=3 23210 B17R2.5273 O=C(Cc1cccnc1)c2cccc(c2)Cl 1458a_100000210390_100000733263 [0,2,0,0,0,0|1,0,0]=3 23211 B17R2.5273 O=C(Cc1cccnc1)c2cccc(c2)F 1458a_100000210950_100000733263 [0,2,0,0,0,0|1,0,0]=3 23212 B17R2.5273 O=C(Cc1cccnc1)c2cccc(c2)I 1458a_100000184098_100000733263 [0,2,0,0,0,0|1,0,0]=3 23213 B17R2.5273 O=C(Cc1cccnc1)c2cccc(c2)O 1458a_100000183914_100000733263 [0,2,0,0,0,0|1,0,0]=3 23214 B17R2.5273 O=C(Cc1cccnn1)c2cccc(c2)Br 1458a_100000210664_100016990269 [0,2,0,0,0,0|2,0,0]=4 23215 B17R2.5273 O=C(Cc1cccnn1)c2cccc(c2)Cl 1458a_100000210390_100016990269 [0,2,0,0,0,0|2,0,0]=4 23216 B17R2.5273 O=C(Cc1cccnn1)c2cccc(c2)F 1458a_100000210950_100016990269 [0,2,0,0,0,0|2,0,0]=4 23217 B17R2.5273 O=C(Cc1cccnn1)c2cccc(c2)I 1458a_100000184098_100016990269 [0,2,0,0,0,0|2,0,0]=4 23218 B17R2.5273 O=C(Cc1cccnn1)c2cccc(c2)O 1458a_100000183914_100016990269 [0,2,0,0,0,0|2,0,0]=4 23219 B17R2.5273 O=C(Cc1cnccn1)c2cccc(c2)Br 1458a_100000210664_100016995436 [0,2,0,0,0,0|2,0,0]=4 23220 B17R2.5273 O=C(Cc1cnccn1)c2cccc(c2)Cl 1458a_100000210390_100016995436 [0,2,0,0,0,0|2,0,0]=4 23221 B17R2.5273 O=C(Cc1cnccn1)c2cccc(c2)F 1458a_100000210950_100016995436 [0,2,0,0,0,0|2,0,0]=4 23222 B17R2.5273 O=C(Cc1cnccn1)c2cccc(c2)I 1458a_100000184098_100016995436 [0,2,0,0,0,0|2,0,0]=4 23223 B17R2.5273 O=C(Cc1cnccn1)c2cccc(c2)O 1458a_100000183914_100016995436 [0,2,0,0,0,0|2,0,0]=4 23224 B17R2.5273 O=C(Cc1cncnc1)c2cccc(c2)Br 1458a_100000210664_100015196519 [0,2,0,0,0,0|2,0,0]=4 23225 B17R2.5273 O=C(Cc1cncnc1)c2cccc(c2)Cl 1458a_100000210390_100015196519 [0,2,0,0,0,0|2,0,0]=4 23226 B17R2.5273 O=C(Cc1cncnc1)c2cccc(c2)F 1458a_100000210950_100015196519 [0,2,0,0,0,0|2,0,0]=4 23227 B17R2.5273 O=C(Cc1cncnc1)c2cccc(c2)I 1458a_100000184098_100015196519 [0,2,0,0,0,0|2,0,0]=4 23228 B17R2.5273 O=C(Cc1cncnc1)c2cccc(c2)O 1458a_100000183914_100015196519 [0,2,0,0,0,0|2,0,0]=4 23229 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Br 11a_100000106764_100000210664 [0,2,0,0,0,0|1,0,1]=4 23230 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Br 1626a_100000106764_100000210664 [0,2,0,0,0,0|1,0,1]=4 23231 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Br 22a_100000106764_100000210664 [0,2,0,0,0,0|1,0,1]=4 23232 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Br 527a_100000106764_100000210664 [0,2,0,0,0,0|1,0,1]=4 23233 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Cl 11a_100000106764_100000210390 [0,2,0,0,0,0|1,0,1]=4 23234 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Cl 1626a_100000106764_100000210390 [0,2,0,0,0,0|1,0,1]=4 23235 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Cl 22a_100000106764_100000210390 [0,2,0,0,0,0|1,0,1]=4 23236 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Cl 527a_100000106764_100000210390 [0,2,0,0,0,0|1,0,1]=4 23237 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)F 11a_100000106764_100000210950 [0,2,0,0,0,0|1,0,1]=4 23238 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)F 1626a_100000106764_100000210950 [0,2,0,0,0,0|1,0,1]=4 23239 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)F 22a_100000106764_100000210950 [0,2,0,0,0,0|1,0,1]=4 23240 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)F 527a_100000106764_100000210950 [0,2,0,0,0,0|1,0,1]=4 23241 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)I 11a_100000106764_100000184098 [0,2,0,0,0,0|1,0,1]=4 23242 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)I 1626a_100000106764_100000184098 [0,2,0,0,0,0|1,0,1]=4 23243 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)I 22a_100000106764_100000184098 [0,2,0,0,0,0|1,0,1]=4 23244 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)I 527a_100000106764_100000184098 [0,2,0,0,0,0|1,0,1]=4 23245 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)O 22a_100000106764_100000183914 [0,2,0,0,0,0|1,0,1]=4 23246 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)O 271570a_203496583355_200000153492 [0,2,0,0,0,0|1,0,1]=4 23247 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)O 527a_100000106764_100000183914 [0,2,0,0,0,0|1,0,1]=4 23248 B17R2.5273 O=C(Nc1ccccc1)c2cncc(c2)O 271570a_203496583355_200000153502 [0,2,0,0,0,0|0,0,1]=3 23249 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)Br 2230a_100000224063_200025704644 [0,2,0,0,0,0|1,0,0]=3 23250 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)Br 269982a_100000224063_200025704644 [0,2,0,0,0,0|1,0,0]=3 23251 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)Br 34a_100000224063_200025704644 [0,2,0,0,0,0|1,0,0]=3 23252 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)Cl 2230a_100102953027_200025704644 [0,2,0,0,0,0|1,0,0]=3 23253 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)Cl 269982a_100102953027_200025704644 [0,2,0,0,0,0|1,0,0]=3 23254 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)Cl 34a_100102953027_200025704644 [0,2,0,0,0,0|1,0,0]=3 23255 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)F 2230a_100102952868_200025704644 [0,2,0,0,0,0|1,0,0]=3 23256 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)F 269982a_100102952868_200025704644 [0,2,0,0,0,0|1,0,0]=3 23257 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)F 34a_100102952868_200025704644 [0,2,0,0,0,0|1,0,0]=3 23258 B17R2.5293 CC(Cc1cc(cnn1)O)c2ccccc2 271570a_100000062452_200010734679 [0,2,0,0,0,0|2,0,0]=4 23259 B17R2.5293 CC(Cc1ccc[n+](c1)C)c2ccccc2 271570a_100000062452_100009996589 [0,2,0,0,0,0|1,0,1]=4 23260 B17R2.5293 CC(Cc1ccc[n+](c1)[O-])c2ccccc2 271570a_100000062452_100009815978 [0,2,0,0,0,0|1,0,1]=4 23261 B17R2.5293 CC(Cc1cccc(c1)Br)c2ccccc2 271570a_100000062452_100000691529 [0,2,0,0,0,0|2,0,0]=4 23262 B17R2.5293 CC(Cc1cccc(c1)Cl)c2ccccc2 271570a_100000062452_100000699651 [0,2,0,0,0,0|2,0,0]=4 23263 B17R2.5293 CC(Cc1cccc(c1)F)c2ccccc2 271570a_100000062452_100000685547 [0,2,0,0,0,0|2,0,0]=4 23264 B17R2.5293 CC(Cc1cccc(c1)N)c2ccccc2 271570a_100000062452_100000210019 [0,2,0,0,0,0|2,0,0]=4 23265 B17R2.5293 CC(Cc1cccc(c1)O)c2ccccc2 271570a_100000062452_100000211634 [0,2,0,0,0,0|2,0,0]=4 23266 B17R2.5293 CC(Cc1cccc(c1)[S])c2ccccc2 271570a_100000062452_114929384022 [0,2,0,0,0,0|2,0,0]=4 23267 B17R2.5293 CC(Cc1cn[nH]c(=O)c1)c2ccccc2 271570a_100000062452_100010197405 [0,2,0,0,0,0|2,0,0]=4 23268 B17R2.5293 CC(Cc1cncc(c1)Br)c2ccccc2 271570a_100000062452_100000728054 [0,2,0,0,0,0|1,0,0]=3 23269 B17R2.5293 CC(Cc1cncc(c1)Cl)c2ccccc2 271570a_100000062452_100000049639 [0,2,0,0,0,0|1,0,0]=3 23270 B17R2.5293 CC(Cc1cncc(c1)F)c2ccccc2 271570a_100000062452_100000744099 [0,2,0,0,0,0|1,0,0]=3 23271 B17R2.5293 CC(Cc1cncc(c1)N)c2ccccc2 271570a_100000062452_100000687067 [0,2,0,0,0,0|1,0,0]=3 23272 B17R2.5293 CC(Cc1cncc(c1)O)c2ccccc2 271570a_100000062452_100000754920 [0,2,0,0,0,0|1,0,0]=3 23273 B17R2.5293 CC(Cc1cncc(n1)F)c2ccccc2 271570a_100000062452_200009863489 [0,2,0,0,0,0|2,0,0]=4 23274 B17R2.5293 CC(Cc1cncc(n1)N)c2ccccc2 271570a_100000062452_100009819714 [0,2,0,0,0,0|2,0,0]=4 23275 B17R2.5293 CC(Cc1cncc(n1)O)c2ccccc2 271570a_100000062452_100011269956 [0,2,0,0,0,0|2,0,0]=4 23276 B17R2.5293 CC(Cc1cnnc(c1)N)c2ccccc2 271570a_100000062452_100000130277 [0,2,0,0,0,0|2,0,0]=4 23277 B17R2.5293 CC(Nc1c[n+](ccn1)[O-])c2cccnc2 27a_100000195435_100009880115 [0,2,0,0,0,0|2,0,0]=4 23278 B17R2.5293 CC(Nc1cc(ccn1)F)c2cccnc2 27a_100000195435_100000764206 [0,2,0,0,0,0|1,0,0]=3 23279 B17R2.5293 CC(Nc1cc(ncn1)F)c2cccnc2 27a_100000195435_200009880791 [0,2,0,0,0,0|2,0,0]=4 23280 B17R2.5293 CC(Nc1cc(ncn1)N)c2cccnc2 27a_100000195435_100000701291 [0,2,0,0,0,0|2,0,0]=4 23281 B17R2.5293 CC(Nc1cc(ncn1)O)c2cccnc2 27a_100000195435_100000765262 [0,2,0,0,0,0|2,0,0]=4 23282 B17R2.5293 CC(Nc1cc[nH]c(=O)c1)c2cccnc2 27a_100000195435_100000061649 [0,2,0,0,0,0|1,0,0]=3 23283 B17R2.5293 CC(Nc1cc[nH]c(=O)n1)c2cccnc2 27a_100000195435_200000134032 [0,2,0,0,0,0|2,0,0]=4 23284 B17R2.5293 CC(Nc1cccc(c1)Br)c2ccccc2 34a_100000210019_100000211855 [0,2,0,0,0,0|1,0,0]=3 23285 B17R2.5293 CC(Nc1cccc(c1)Cl)c2ccccc2 34a_100000185859_100000211855 [0,2,0,0,0,0|1,0,0]=3 23286 B17R2.5293 CC(Nc1cccc(c1)F)c2ccccc2 34a_100000210047_100000211855 [0,2,0,0,0,0|1,0,0]=3 23287 B17R2.5293 CC(Nc1cccc(c1)I)c2ccccc2 34a_100000211102_100000211855 [0,2,0,0,0,0|1,0,0]=3 23288 B17R2.5293 CC(Nc1cccc(c1)O)c2ccccc2 34a_100000210217_100000211855 [0,2,0,0,0,0|1,0,0]=3 23289 B17R2.5293 CC(Nc1cccc(n1)F)c2cccnc2 27a_100000195435_100009815982 [0,2,0,0,0,0|1,0,0]=3 23290 B17R2.5293 CC(Nc1ccnc(c1)F)c2cccnc2 27a_100000195435_100009816116 [0,2,0,0,0,0|1,0,0]=3 23291 B17R2.5293 CC(Nc1ccnc(n1)N)c2cccnc2 27a_100000195435_100000055538 [0,2,0,0,0,0|2,0,0]=4 23292 B17R2.5293 CC(Nc1cncc(n1)Cl)c2cccnc2 27a_100000195435_100010892449 [0,2,0,0,0,0|2,0,0]=4 23293 B17R2.5293 CC(Nc1cncc(n1)F)c2cccnc2 27a_100000195435_200009863489 [0,2,0,0,0,0|2,0,0]=4 23294 B17R2.5293 CC(Nc1nccc(n1)N)c2cccnc2 27a_100000195435_100000757536 [0,2,0,0,0,0|2,0,0]=4 23295 B17R2.5293 CC(Nc1nccc(n1)O)c2cccnc2 27a_100000195435_100011649813 [0,2,0,0,0,0|2,0,0]=4 23296 B17R2.5293 CC(Oc1cccc(c1)Br)c2ccccc2 34a_100000210342_100000211855 [0,2,0,0,0,0|2,0,0]=4 23297 B17R2.5293 CC(Oc1cccc(c1)Br)c2ccccc2 7a_100000210342_100000230085 [0,2,0,0,0,0|2,0,0]=4 23298 B17R2.5293 CC(Oc1cccc(c1)Br)c2cnccn2 7a_100000210342_200000703233 [0,2,0,0,0,0|2,0,0]=4 23299 B17R2.5293 CC(Oc1cccc(c1)Cl)c2ccccc2 34a_100000210295_100000211855 [0,2,0,0,0,0|2,0,0]=4 23300 B17R2.5293 CC(Oc1cccc(c1)Cl)c2ccccc2 7a_100000210295_100000230085 [0,2,0,0,0,0|2,0,0]=4 23301 B17R2.5293 CC(Oc1cccc(c1)Cl)c2cnccn2 7a_100000210295_200000703233 [0,2,0,0,0,0|2,0,0]=4 23302 B17R2.5293 CC(Oc1cccc(c1)F)c2ccccc2 34a_100000210426_100000211855 [0,2,0,0,0,0|2,0,0]=4 23303 B17R2.5293 CC(Oc1cccc(c1)F)c2ccccc2 7a_100000210426_100000230085 [0,2,0,0,0,0|2,0,0]=4 23304 B17R2.5293 CC(Oc1cccc(c1)F)c2cnccn2 7a_100000210426_200000703233 [0,2,0,0,0,0|2,0,0]=4 23305 B17R2.5293 CC(Oc1cccc(c1)I)c2ccccc2 34a_100000211634_100000211855 [0,2,0,0,0,0|2,0,0]=4 23306 B17R2.5293 CC(Oc1cccc(c1)I)c2ccccc2 7a_100000211634_100000230085 [0,2,0,0,0,0|2,0,0]=4 23307 B17R2.5293 CC(Oc1cccc(c1)I)c2cnccn2 7a_100000211634_200000703233 [0,2,0,0,0,0|2,0,0]=4 23308 B17R2.5293 CC(Oc1cccc(c1)N)c2ccccc2 34a_100000210217_100000211855 [0,2,0,0,0,0|2,0,0]=4 23309 B17R2.5293 CC(Oc1cncc(c1)Br)c2ccccc2 34a_100000754920_100000211855 [0,2,0,0,0,0|2,0,0]=4 23310 B17R2.5293 CC(Oc1cncc(c1)Br)c2ccccc2 7a_100000754920_100000230085 [0,2,0,0,0,0|2,0,0]=4 23311 B17R2.5293 CC(Oc1cncc(c1)Cl)c2ccccc2 7a_100000032511_100000230085 [0,2,0,0,0,0|2,0,0]=4 23312 B17R2.5293 CC(Oc1cncc(c1)F)c2ccccc2 34a_100011830296_100000211855 [0,2,0,0,0,0|2,0,0]=4 23313 B17R2.5293 CC(Oc1cncc(c1)F)c2ccccc2 7a_100011830296_100000230085 [0,2,0,0,0,0|2,0,0]=4 23314 B17R2.5293 CC(Oc1cncc(c1)N)c2ccccc2 34a_100011997051_100000211855 [0,2,0,0,0,0|2,0,0]=4 23315 B17R2.5293 CC(Sc1cccc(c1)Br)c2ccccc2 62a_100000230085_100000691529 [0,2,0,0,0,0|2,0,0]=4 23316 B17R2.5293 CC(Sc1cccc(c1)Br)c2ccccc2 62a_100000691529_100000230085 [0,2,0,0,0,0|2,0,0]=4 23317 B17R2.5293 CC(Sc1cccc(c1)Br)c2cnccn2 62a_100000691529_200000703233 [0,2,0,0,0,0|2,0,0]=4 23318 B17R2.5293 CC(Sc1cccc(c1)Br)c2cnccn2 62a_200000703233_100000691529 [0,2,0,0,0,0|2,0,0]=4 23319 B17R2.5293 CC(Sc1cccc(c1)Cl)c2ccccc2 62a_100000230085_100000699651 [0,2,0,0,0,0|2,0,0]=4 23320 B17R2.5293 CC(Sc1cccc(c1)Cl)c2ccccc2 62a_100000699651_100000230085 [0,2,0,0,0,0|2,0,0]=4 23321 B17R2.5293 CC(Sc1cccc(c1)Cl)c2cnccn2 62a_100000699651_200000703233 [0,2,0,0,0,0|2,0,0]=4 23322 B17R2.5293 CC(Sc1cccc(c1)Cl)c2cnccn2 62a_200000703233_100000699651 [0,2,0,0,0,0|2,0,0]=4 23323 B17R2.5293 CC(Sc1cccc(c1)F)c2ccccc2 62a_100000230085_100000685547 [0,2,0,0,0,0|2,0,0]=4 23324 B17R2.5293 CC(Sc1cccc(c1)F)c2ccccc2 62a_100000685547_100000230085 [0,2,0,0,0,0|2,0,0]=4 23325 B17R2.5293 CC(Sc1cccc(c1)F)c2cnccn2 62a_100000685547_200000703233 [0,2,0,0,0,0|2,0,0]=4 23326 B17R2.5293 CC(Sc1cccc(c1)F)c2cnccn2 62a_200000703233_100000685547 [0,2,0,0,0,0|2,0,0]=4 23327 B17R2.5293 CC(Sc1cccc(c1)N)c2ccccc2 62a_100000210019_100000230085 [0,2,0,0,0,0|2,0,0]=4 23328 B17R2.5293 CC(Sc1cccc(c1)N)c2ccccc2 62a_100000230085_100000210019 [0,2,0,0,0,0|2,0,0]=4 23329 B17R2.5293 CC(Sc1cccc(c1)N)c2cnccn2 62a_100000210019_200000703233 [0,2,0,0,0,0|2,0,0]=4 23330 B17R2.5293 CC(Sc1cccc(c1)N)c2cnccn2 62a_200000703233_100000210019 [0,2,0,0,0,0|2,0,0]=4 23331 B17R2.5293 CC(Sc1cccc(c1)O)c2ccccc2 62a_100000230085_100000211634 [0,2,0,0,0,0|2,0,0]=4 23332 B17R2.5293 CC(Sc1cccc(c1)O)c2cnccn2 62a_200000703233_100000211634 [0,2,0,0,0,0|2,0,0]=4 23333 B17R2.5293 CC(Sc1cccc(c1)[S])c2ccccc2 62a_100000230085_114929384022 [0,2,0,0,0,0|2,0,0]=4 23334 B17R2.5293 CC(Sc1cccc(c1)[S])c2ccccc2 62a_114929384022_100000230085 [0,2,0,0,0,0|2,0,0]=4 23335 B17R2.5293 CC(Sc1cccc(c1)[S])c2cnccn2 62a_114929384022_200000703233 [0,2,0,0,0,0|2,0,0]=4 23336 B17R2.5293 CC(Sc1cccc(c1)[S])c2cnccn2 62a_200000703233_114929384022 [0,2,0,0,0,0|2,0,0]=4 23337 B17R2.5293 CC(Sc1cncc(c1)Br)c2ccccc2 62a_100000230085_100000728054 [0,2,0,0,0,0|2,0,0]=4 23338 B17R2.5293 CC(Sc1cncc(c1)Br)c2ccccc2 62a_100000728054_100000230085 [0,2,0,0,0,0|2,0,0]=4 23339 B17R2.5293 CC(Sc1cncc(c1)Cl)c2ccccc2 62a_100000049639_100000230085 [0,2,0,0,0,0|2,0,0]=4 23340 B17R2.5293 CC(Sc1cncc(c1)Cl)c2ccccc2 62a_100000230085_100000049639 [0,2,0,0,0,0|2,0,0]=4 23341 B17R2.5293 CC(Sc1cncc(c1)F)c2ccccc2 62a_100000230085_100000744099 [0,2,0,0,0,0|2,0,0]=4 23342 B17R2.5293 CC(Sc1cncc(c1)F)c2ccccc2 62a_100000744099_100000230085 [0,2,0,0,0,0|2,0,0]=4 23343 B17R2.5293 CC(Sc1cncc(c1)N)c2ccccc2 62a_100000230085_100000687067 [0,2,0,0,0,0|2,0,0]=4 23344 B17R2.5293 CC(Sc1cncc(c1)N)c2ccccc2 62a_100000687067_100000230085 [0,2,0,0,0,0|2,0,0]=4 23345 B17R2.5293 CC(Sc1cncc(c1)O)c2ccccc2 62a_100000230085_100000754920 [0,2,0,0,0,0|2,0,0]=4 23346 B17R2.5293 CC(Sc1cncc(c1)O)c2ccccc2 62a_100000754920_100000230085 [0,2,0,0,0,0|2,0,0]=4 23347 B17R2.5293 CN(Cc1cc(ccn1)Br)c2ccccc2 2230a_100000210012_100010173614 [0,2,0,0,0,0|2,0,0]=4 23348 B17R2.5293 CN(Cc1cc(ccn1)Br)c2ccccc2 269982a_100000210012_100010173614 [0,2,0,0,0,0|2,0,0]=4 23349 B17R2.5293 CN(Cc1cc(ccn1)Br)c2ccccc2 34a_100000210012_100010173614 [0,2,0,0,0,0|2,0,0]=4 23350 B17R2.5293 CN(Cc1cc(ccn1)Cl)c2ccccc2 2230a_100000210012_100016988179 [0,2,0,0,0,0|2,0,0]=4 23351 B17R2.5293 CN(Cc1cc(ccn1)Cl)c2ccccc2 269982a_100000210012_100016988179 [0,2,0,0,0,0|2,0,0]=4 23352 B17R2.5293 CN(Cc1cc(ccn1)Cl)c2ccccc2 34a_100000210012_100016988179 [0,2,0,0,0,0|2,0,0]=4 23353 B17R2.5293 CN(Cc1cccc(c1)Br)c2ccccc2 2230a_100000210012_100000698116 [0,2,0,0,0,0|1,0,0]=3 23354 B17R2.5293 CN(Cc1cccc(c1)Br)c2ccccc2 269982a_100000210012_100000211773 [0,2,0,0,0,0|1,0,0]=3 23355 B17R2.5293 CN(Cc1cccc(c1)Br)c2ccccc2 34a_100000210012_100000698116 [0,2,0,0,0,0|1,0,0]=3 23356 B17R2.5293 CN(Cc1cccc(c1)Cl)c2ccccc2 2230a_100000210012_100000181238 [0,2,0,0,0,0|1,0,0]=3 23357 B17R2.5293 CN(Cc1cccc(c1)Cl)c2ccccc2 269982a_100000210012_100000181238 [0,2,0,0,0,0|1,0,0]=3 23358 B17R2.5293 CN(Cc1cccc(c1)Cl)c2ccccc2 34a_100000210012_100000187163 [0,2,0,0,0,0|1,0,0]=3 23359 B17R2.5293 CN(Cc1cccc(c1)F)c2ccccc2 2230a_100000210012_100000230114 [0,2,0,0,0,0|1,0,0]=3 23360 B17R2.5293 CN(Cc1cccc(c1)F)c2ccccc2 269982a_100000210012_100000230114 [0,2,0,0,0,0|1,0,0]=3 23361 B17R2.5293 CN(Cc1cccc(c1)F)c2ccccc2 34a_100000210012_100000187166 [0,2,0,0,0,0|1,0,0]=3 23362 B17R2.5293 CN(Cc1cccc(c1)I)c2ccccc2 2230a_100000210012_100011218688 [0,2,0,0,0,0|1,0,0]=3 23363 B17R2.5293 CN(Cc1cccc(c1)I)c2ccccc2 269982a_100000210012_100011218688 [0,2,0,0,0,0|1,0,0]=3 23364 B17R2.5293 CN(Cc1cccc(c1)I)c2ccccc2 34a_100000210012_100011218688 [0,2,0,0,0,0|1,0,0]=3 23365 B17R2.5293 CN(Cc1cccc(c1)O)c2ccccc2 2230a_100000210012_100011660834 [0,2,0,0,0,0|1,0,0]=3 23366 B17R2.5293 CN(Cc1cccc(c1)O)c2ccccc2 269982a_100000210012_100000084143 [0,2,0,0,0,0|1,0,0]=3 23367 B17R2.5293 CN(Cc1cccc(c1)O)c2ccccc2 34a_100000210012_100011660834 [0,2,0,0,0,0|1,0,0]=3 23368 B17R2.5293 CN(Cc1cccc(n1)Br)c2ccccc2 2230a_100000210012_100009889011 [0,2,0,0,0,0|2,0,0]=4 23369 B17R2.5293 CN(Cc1cccc(n1)Br)c2ccccc2 269982a_100000210012_100009889011 [0,2,0,0,0,0|2,0,0]=4 23370 B17R2.5293 CN(Cc1cccc(n1)Br)c2ccccc2 34a_100000210012_100009889011 [0,2,0,0,0,0|2,0,0]=4 23371 B17R2.5293 CN(Cc1cccc(n1)Cl)c2ccccc2 2230a_100000210012_100000086093 [0,2,0,0,0,0|2,0,0]=4 23372 B17R2.5293 CN(Cc1cccc(n1)Cl)c2ccccc2 269982a_100000210012_100000086093 [0,2,0,0,0,0|2,0,0]=4 23373 B17R2.5293 CN(Cc1cccc(n1)Cl)c2ccccc2 34a_100000210012_100000086093 [0,2,0,0,0,0|2,0,0]=4 23374 B17R2.5293 CN(Cc1cccc(n1)F)c2ccccc2 2230a_100000210012_100009819644 [0,2,0,0,0,0|2,0,0]=4 23375 B17R2.5293 CN(Cc1cccc(n1)F)c2ccccc2 269982a_100000210012_100009819644 [0,2,0,0,0,0|2,0,0]=4 23376 B17R2.5293 CN(Cc1cccc(n1)F)c2ccccc2 34a_100000210012_100009819644 [0,2,0,0,0,0|2,0,0]=4 23377 B17R2.5293 CN(Cc1ccnc(c1)Br)c2ccccc2 2230a_100000210012_100010243470 [0,2,0,0,0,0|2,0,0]=4 23378 B17R2.5293 CN(Cc1ccnc(c1)Br)c2ccccc2 269982a_100000210012_100010254460 [0,2,0,0,0,0|2,0,0]=4 23379 B17R2.5293 CN(Cc1ccnc(c1)Br)c2ccccc2 34a_100000210012_100010243470 [0,2,0,0,0,0|2,0,0]=4 23380 B17R2.5293 CN(Cc1ccnc(c1)Cl)c2ccccc2 2230a_100000210012_100000764220 [0,2,0,0,0,0|2,0,0]=4 23381 B17R2.5293 CN(Cc1ccnc(c1)Cl)c2ccccc2 269982a_100000210012_100000764220 [0,2,0,0,0,0|2,0,0]=4 23382 B17R2.5293 CN(Cc1ccnc(c1)Cl)c2ccccc2 34a_100000210012_100000764220 [0,2,0,0,0,0|2,0,0]=4 23383 B17R2.5293 CN(Cc1cncc(c1)Br)c2ccccc2 2230a_100000210012_100000738771 [0,2,0,0,0,0|0,0,0]=2 23384 B17R2.5293 CN(Cc1cncc(c1)Br)c2ccccc2 269982a_100000210012_100000738771 [0,2,0,0,0,0|0,0,0]=2 23385 B17R2.5293 CN(Cc1cncc(c1)Br)c2ccccc2 34a_100000210012_100000738771 [0,2,0,0,0,0|0,0,0]=2 23386 B17R2.5293 CN(Cc1cncc(c1)Br)c2cccnn2 27a_103549770560_100016991348 [0,2,0,0,0,0|2,0,0]=4 23387 B17R2.5293 CN(Cc1cncc(c1)Br)c2ccncn2 27a_103549770560_100000703185 [0,2,0,0,0,0|2,0,0]=4 23388 B17R2.5293 CN(Cc1cncc(c1)Br)c2cnccn2 27a_103549770560_100000211759 [0,2,0,0,0,0|2,0,0]=4 23389 B17R2.5293 CN(Cc1cncc(c1)Br)c2ncccn2 27a_103549770560_100000211032 [0,2,0,0,0,0|2,0,0]=4 23390 B17R2.5293 CN(Cc1cncc(c1)Cl)c2ccccc2 2230a_100000210012_100016992070 [0,2,0,0,0,0|0,0,0]=2 23391 B17R2.5293 CN(Cc1cncc(c1)Cl)c2ccccc2 269982a_100000210012_100016992070 [0,2,0,0,0,0|0,0,0]=2 23392 B17R2.5293 CN(Cc1cncc(c1)Cl)c2ccccc2 34a_100000210012_100016992070 [0,2,0,0,0,0|0,0,0]=2 23393 B17R2.5293 CN(Cc1cncc(c1)F)c2ccccc2 2230a_100000210012_100000725299 [0,2,0,0,0,0|0,0,0]=2 23394 B17R2.5293 CN(Cc1cncc(c1)F)c2ccccc2 269982a_100000210012_100000725299 [0,2,0,0,0,0|0,0,0]=2 23395 B17R2.5293 CN(Cc1cncc(c1)F)c2ccccc2 34a_100000210012_100000725299 [0,2,0,0,0,0|0,0,0]=2 23396 B17R2.5293 C[C@@H](Nc1cc(ccn1)F)c2ccccc2 27a_100000751104_100000764206 [0,2,0,0,0,0|2,0,0]=4 23397 B17R2.5293 C[C@@H](Nc1cc(ccn1)F)c2cnccn2 27a_100020589798_100000764206 [0,2,0,0,0,0|2,0,0]=4 23398 B17R2.5293 C[C@@H](Nc1cc[nH]c(=O)c1)c2ccccc2 27a_100000751104_100000061649 [0,2,0,0,0,0|2,0,0]=4 23399 B17R2.5293 C[C@@H](Nc1cc[nH]c(=O)c1)c2cnccn2 27a_100020589798_100000061649 [0,2,0,0,0,0|2,0,0]=4 23400 B17R2.5293 C[C@@H](Nc1cccc(n1)F)c2ccccc2 27a_100000751104_100009815982 [0,2,0,0,0,0|2,0,0]=4 23401 B17R2.5293 C[C@@H](Nc1cccc(n1)F)c2cnccn2 27a_100020589798_100009815982 [0,2,0,0,0,0|2,0,0]=4 23402 B17R2.5293 C[C@@H](Nc1ccnc(c1)F)c2ccccc2 27a_100000751104_100009816116 [0,2,0,0,0,0|2,0,0]=4 23403 B17R2.5293 C[C@@H](Nc1ccnc(c1)F)c2cnccn2 27a_100020589798_100009816116 [0,2,0,0,0,0|2,0,0]=4 23404 B17R2.5293 Cc1cc(ccn1)CN(C)c2ccccc2 2230a_100000210012_200020672517 [0,2,0,0,0,0|2,0,0]=4 23405 B17R2.5293 Cc1cc(ccn1)CN(C)c2ccccc2 269982a_100000210012_200020672517 [0,2,0,0,0,0|2,0,0]=4 23406 B17R2.5293 Cc1cc(ccn1)CN(C)c2ccccc2 34a_100000210012_200020672517 [0,2,0,0,0,0|2,0,0]=4 23407 B17R2.5293 Cc1cc(ccn1)NC(C)c2cccnc2 27a_100000195435_100000758586 [0,2,0,0,0,0|1,0,0]=3 23408 B17R2.5293 Cc1cc(ccn1)N[C@H](C)c2ccccc2 27a_100000751104_100000758586 [0,2,0,0,0,0|2,0,0]=4 23409 B17R2.5293 Cc1cc(ccn1)N[C@H](C)c2cnccn2 27a_100020589798_100000758586 [0,2,0,0,0,0|2,0,0]=4 23410 B17R2.5293 Cc1cc(ncn1)NC(C)c2cccnc2 27a_100000195435_100000744208 [0,2,0,0,0,0|2,0,0]=4 23411 B17R2.5293 Cc1cccc(c1)CC(=O)c2ccccc2 1458a_100000185807_100000211840 [0,2,0,0,0,0|2,0,0]=4 23412 B17R2.5293 Cc1cccc(c1)CC(C)c2ccccc2 271570a_100000062452_100011215228 [0,2,0,0,0,0|2,0,0]=4 23413 B17R2.5293 Cc1cccc(c1)CN(C)c2ccccc2 2230a_100000210012_100000211840 [0,2,0,0,0,0|1,0,0]=3 23414 B17R2.5293 Cc1cccc(c1)CN(C)c2ccccc2 269982a_100000210012_100000211840 [0,2,0,0,0,0|1,0,0]=3 23415 B17R2.5293 Cc1cccc(c1)CN(C)c2ccccc2 34a_100000210012_100000211840 [0,2,0,0,0,0|1,0,0]=3 23416 B17R2.5293 Cc1cccc(c1)NC(=O)c2ccccc2 11a_100000188690_100000185807 [0,2,0,0,0,0|1,0,1]=4 23417 B17R2.5293 Cc1cccc(c1)NC(=O)c2ccccc2 1626a_100000188690_100000185807 [0,2,0,0,0,0|1,0,1]=4 23418 B17R2.5293 Cc1cccc(c1)NC(=O)c2ccccc2 22a_100000188690_100000185807 [0,2,0,0,0,0|1,0,1]=4 23419 B17R2.5293 Cc1cccc(c1)NC(=O)c2ccccc2 527a_100000188690_100000185807 [0,2,0,0,0,0|1,0,1]=4 23420 B17R2.5293 Cc1cccc(c1)NC(C)c2ccccc2 2230a_100000188690_100000230085 [0,2,0,0,0,0|1,0,0]=3 23421 B17R2.5293 Cc1cccc(c1)NC(C)c2ccccc2 34a_100000188690_100000211855 [0,2,0,0,0,0|1,0,0]=3 23422 B17R2.5293 Cc1cccc(c1)NC(C)c2cnccn2 2230a_100000188690_200000703233 [0,2,0,0,0,0|1,0,0]=3 23423 B17R2.5293 Cc1cccc(c1)OC(C)c2ccccc2 34a_100000210337_100000211855 [0,2,0,0,0,0|2,0,0]=4 23424 B17R2.5293 Cc1cccc(c1)OC(C)c2ccccc2 7a_100000210337_100000230085 [0,2,0,0,0,0|2,0,0]=4 23425 B17R2.5293 Cc1cccc(c1)OC(C)c2cnccn2 7a_100000210337_200000703233 [0,2,0,0,0,0|2,0,0]=4 23426 B17R2.5293 Cc1cccc(c1)SC(C)c2ccccc2 62a_100000230085_100011215228 [0,2,0,0,0,0|2,0,0]=4 23427 B17R2.5293 Cc1cccc(c1)SC(C)c2ccccc2 62a_100011215228_100000230085 [0,2,0,0,0,0|2,0,0]=4 23428 B17R2.5293 Cc1cccc(c1)SC(C)c2cnccn2 62a_100011215228_200000703233 [0,2,0,0,0,0|2,0,0]=4 23429 B17R2.5293 Cc1cccc(c1)SC(C)c2cnccn2 62a_200000703233_100011215228 [0,2,0,0,0,0|2,0,0]=4 23430 B17R2.5293 Cc1cccc(n1)CN(C)c2ccccc2 2230a_100000210012_100000757606 [0,2,0,0,0,0|2,0,0]=4 23431 B17R2.5293 Cc1cccc(n1)CN(C)c2ccccc2 269982a_100000210012_100000757606 [0,2,0,0,0,0|2,0,0]=4 23432 B17R2.5293 Cc1cccc(n1)CN(C)c2ccccc2 34a_100000210012_100000757606 [0,2,0,0,0,0|2,0,0]=4 23433 B17R2.5293 Cc1ccnc(c1)CN(C)c2ccccc2 2230a_100000210012_100000718516 [0,2,0,0,0,0|2,0,0]=4 23434 B17R2.5293 Cc1ccnc(c1)CN(C)c2ccccc2 269982a_100000210012_100000718516 [0,2,0,0,0,0|2,0,0]=4 23435 B17R2.5293 Cc1ccnc(c1)CN(C)c2ccccc2 34a_100000210012_100000718516 [0,2,0,0,0,0|2,0,0]=4 23436 B17R2.5293 Cc1ccnc(n1)NC(C)c2cccnc2 27a_100000195435_100000750684 [0,2,0,0,0,0|2,0,0]=4 23437 B17R2.5293 Cc1cncc(c1)CC(=O)c2ccccc2 1458a_100000185807_100000716715 [0,2,0,0,0,0|1,0,0]=3 23438 B17R2.5293 Cc1cncc(c1)CC(C)c2ccccc2 271570a_100000062452_100000760492 [0,2,0,0,0,0|1,0,0]=3 23439 B17R2.5293 Cc1cncc(c1)CN(C)c2ccccc2 2230a_100000210012_100000716715 [0,2,0,0,0,0|0,0,0]=2 23440 B17R2.5293 Cc1cncc(c1)CN(C)c2ccccc2 269982a_100000210012_100000716715 [0,2,0,0,0,0|0,0,0]=2 23441 B17R2.5293 Cc1cncc(c1)CN(C)c2ccccc2 34a_100000210012_100000716715 [0,2,0,0,0,0|0,0,0]=2 23442 B17R2.5293 Cc1cncc(c1)OC(C)c2ccccc2 34a_100011830280_100000211855 [0,2,0,0,0,0|2,0,0]=4 23443 B17R2.5293 Cc1cncc(c1)OC(C)c2ccccc2 7a_100011830280_100000230085 [0,2,0,0,0,0|2,0,0]=4 23444 B17R2.5293 Cc1cncc(c1)SC(C)c2ccccc2 62a_100000230085_100000760492 [0,2,0,0,0,0|2,0,0]=4 23445 B17R2.5293 Cc1cncc(c1)SC(C)c2ccccc2 62a_100000760492_100000230085 [0,2,0,0,0,0|2,0,0]=4 23446 B17R2.5293 Cc1cncc(n1)CC(C)c2ccccc2 271570a_100000062452_100009842155 [0,2,0,0,0,0|2,0,0]=4 23447 B17R2.5293 Cc1cncc(n1)NC(C)c2cccnc2 27a_100000195435_100000754123 [0,2,0,0,0,0|2,0,0]=4 23448 B17R2.5293 Cc1cnnc(c1)CC(C)c2ccccc2 271570a_100000062452_100000070100 [0,2,0,0,0,0|2,0,0]=4 23449 B17R2.5293 Cc1cnnc(c1)NC(C)c2cccnc2 27a_100000195435_100000070100 [0,2,0,0,0,0|2,0,0]=4 23450 B17R2.5293 Cc1nccc(n1)NC(C)c2cccnc2 27a_100000195435_100000749937 [0,2,0,0,0,0|2,0,0]=4 23451 B17R2.5293 O=C(Cc1cccc(c1)Br)c2ccccc2 1458a_100000185807_100000211773 [0,2,0,0,0,0|2,0,0]=4 23452 B17R2.5293 O=C(Cc1cccc(c1)Cl)c2ccccc2 1458a_100000185807_100000181238 [0,2,0,0,0,0|2,0,0]=4 23453 B17R2.5293 O=C(Cc1cccc(c1)F)c2ccccc2 1458a_100000185807_100000230114 [0,2,0,0,0,0|2,0,0]=4 23454 B17R2.5293 O=C(Cc1cccc(c1)I)c2ccccc2 1458a_100000185807_100011218688 [0,2,0,0,0,0|2,0,0]=4 23455 B17R2.5293 O=C(Cc1cccc(c1)O)c2ccccc2 1458a_100000185807_100011660834 [0,2,0,0,0,0|2,0,0]=4 23456 B17R2.5293 O=C(Cc1cncc(c1)Br)c2ccccc2 1458a_100000185807_100011740620 [0,2,0,0,0,0|1,0,0]=3 23457 B17R2.5293 O=C(Cc1cncc(c1)Cl)c2ccccc2 1458a_100000185807_100016992070 [0,2,0,0,0,0|1,0,0]=3 23458 B17R2.5293 O=C(Cc1cncc(c1)F)c2ccccc2 1458a_100000185807_100000725299 [0,2,0,0,0,0|1,0,0]=3 23459 B17R2.5293 O=C(Nc1cccc(c1)Br)c2ccccc2 11a_100000210019_100000185807 [0,2,0,0,0,0|1,0,1]=4 23460 B17R2.5293 O=C(Nc1cccc(c1)Br)c2ccccc2 1626a_100000210019_100000185807 [0,2,0,0,0,0|1,0,1]=4 23461 B17R2.5293 O=C(Nc1cccc(c1)Br)c2ccccc2 22a_100000210019_100000185807 [0,2,0,0,0,0|1,0,1]=4 23462 B17R2.5293 O=C(Nc1cccc(c1)Br)c2ccccc2 527a_100000210019_100000185807 [0,2,0,0,0,0|1,0,1]=4 23463 B17R2.5293 O=C(Nc1cccc(c1)Cl)c2ccccc2 11a_100000185859_100000185807 [0,2,0,0,0,0|1,0,1]=4 23464 B17R2.5293 O=C(Nc1cccc(c1)Cl)c2ccccc2 1626a_100000185859_100000185807 [0,2,0,0,0,0|1,0,1]=4 23465 B17R2.5293 O=C(Nc1cccc(c1)Cl)c2ccccc2 22a_100000185859_100000185807 [0,2,0,0,0,0|1,0,1]=4 23466 B17R2.5293 O=C(Nc1cccc(c1)F)c2ccccc2 11a_100000210047_100000185807 [0,2,0,0,0,0|1,0,1]=4 23467 B17R2.5293 O=C(Nc1cccc(c1)F)c2ccccc2 1626a_100000210047_100000185807 [0,2,0,0,0,0|1,0,1]=4 23468 B17R2.5293 O=C(Nc1cccc(c1)F)c2ccccc2 22a_100000210047_100000185807 [0,2,0,0,0,0|1,0,1]=4 23469 B17R2.5293 O=C(Nc1cccc(c1)F)c2ccccc2 527a_100000210047_100000185807 [0,2,0,0,0,0|1,0,1]=4 23470 B17R2.5293 O=C(Nc1cccc(c1)I)c2ccccc2 11a_100000211102_100000185807 [0,2,0,0,0,0|1,0,1]=4 23471 B17R2.5293 O=C(Nc1cccc(c1)I)c2ccccc2 1626a_100000211102_100000185807 [0,2,0,0,0,0|1,0,1]=4 23472 B17R2.5293 O=C(Nc1cccc(c1)I)c2ccccc2 22a_100000211102_100000185807 [0,2,0,0,0,0|1,0,1]=4 23473 B17R2.5293 O=C(Nc1cccc(c1)I)c2ccccc2 527a_100000211102_100000185807 [0,2,0,0,0,0|1,0,1]=4 23474 B17R2.5293 O=C(Nc1cccc(c1)O)c2ccccc2 1626a_100000210217_100000185807 [0,2,0,0,0,0|1,0,1]=4 23475 B17R2.5293 O=C(Nc1cccc(c1)O)c2ccccc2 22a_100000210217_100000185807 [0,2,0,0,0,0|1,0,1]=4 23476 B17R2.5293 O=C(Nc1cccc(c1)O)c2ccccc2 271570a_203496583355_100000153631 [0,2,0,0,0,0|1,0,1]=4 23477 B17R2.5293 O=C(Nc1cccc(c1)O)c2ccccc2 527a_100000210217_100000185807 [0,2,0,0,0,0|1,0,1]=4 23478 B17R2.10205 CC(C(=O)c1ccccc1)c2ccccc2 1458a_100000185807_100000230085 [0,2,0,0,0,0|2,0,0]=4 23479 B17R2.10205 CC(C(=O)c1ccccc1)c2cnccn2 1458a_100000185807_200000703233 [0,2,0,0,0,0|2,0,0]=4 23480 B17R2.10205 CC(c1ccccc1)N(C)c2ccccc2 2230a_100000210012_100000230085 [0,2,0,0,0,0|1,0,0]=3 23481 B17R2.10205 CC(c1ccccc1)N(C)c2ccccc2 269982a_100000210012_100000230085 [0,2,0,0,0,0|1,0,0]=3 23482 B17R2.10205 CC(c1ccccc1)N(C)c2ccccc2 34a_100000210012_100000211855 [0,2,0,0,0,0|1,0,0]=3 23483 B17R2.10205 CC(c1cccnc1)N(C)c2cccnn2 27a_100000232774_100016991348 [0,2,0,0,0,0|2,0,0]=4 23484 B17R2.10205 CC(c1cccnc1)N(C)c2ccncn2 27a_100000232774_100000703185 [0,2,0,0,0,0|2,0,0]=4 23485 B17R2.10205 CC(c1cccnc1)N(C)c2cnccn2 27a_100000232774_100000211759 [0,2,0,0,0,0|2,0,0]=4 23486 B17R2.10205 CC(c1cccnc1)N(C)c2ncccn2 27a_100000232774_100000211032 [0,2,0,0,0,0|2,0,0]=4 23487 B17R2.10205 CC(c1cnccn1)N(C)c2ccccc2 2230a_100000210012_200000703233 [0,2,0,0,0,0|1,0,0]=3 23488 B17R2.10205 CC(c1cnccn1)N(C)c2ccccc2 269982a_100000210012_200000703233 [0,2,0,0,0,0|1,0,0]=3 23489 B17R2.10205 CN(C(=O)c1ccccc1)c2ccccc2 11a_100000210012_100000185807 [0,2,0,0,0,0|1,0,1]=4 23490 B17R2.10205 CN(C(=O)c1ccccc1)c2ccccc2 1626a_100000210012_100000185807 [0,2,0,0,0,0|1,0,1]=4 23491 B17R2.10205 CN(C(=O)c1ccccc1)c2ccccc2 22a_100000210012_100000185807 [0,2,0,0,0,0|1,0,1]=4 23492 B17R2.20249 CC(C)(Sc1ccccc1)c2ccccc2 62a_100000034625_100000041952 [0,2,0,0,0,0|2,0,0]=4 23493 B17R2.20249 CC(C)(Sc1ccccc1)c2ccccc2 62a_100000719477_100000034625 [0,2,0,0,0,0|2,0,0]=4 23494 B17R2.20249 CC(C)(Sc1cccnc1)c2ccccc2 62a_100000034625_100000210063 [0,2,0,0,0,0|2,0,0]=4 23495 B17R2.20249 CC(C)(Sc1cccnc1)c2ccccc2 62a_100000210063_100000034625 [0,2,0,0,0,0|2,0,0]=4 23496 B17R2.20249 FC(F)(Oc1ccccc1)c2ccccc2 7a_100000210340_100000036403 [0,2,0,0,0,0|2,0,0]=4 23497 B17R2.20249 FC(F)(Oc1cccnc1)c2ccccc2 7a_100000210849_100000036403 [0,2,0,0,0,0|2,0,0]=4 23498 B17R2.20249 FC(F)(Sc1ccccc1)c2ccccc2 62a_100000719477_100000036403 [0,2,0,0,0,0|2,0,0]=4 23499 B17R2.20249 FC(F)(Sc1cccnc1)c2ccccc2 62a_100000210063_100000036403 [0,2,0,0,0,0|2,0,0]=4 23500 B17R2.20249 O=S(=O)(Nc1ccccc1)c2ccccc2 20a_100000106764_100000210345 [0,2,0,0,0,0|2,0,0]=4 23501 B17R2.20249 O=S(=O)(Nc1ccccc1)c2ccccc2 232682a_100000106764_100000210345 [0,2,0,0,0,0|2,0,0]=4 23502 B17R2.20249 O=S(=O)(Nc1ccccc1)c2cccnc2 20a_100000106764_100000736704 [0,2,0,0,0,0|1,0,0]=3 23503 B17R2.20249 O=S(=O)(Nc1ccccc1)c2cccnc2 232682a_100000106764_100000736704 [0,2,0,0,0,0|1,0,0]=3 23504 B17R2.48 C#Cc1ccc(cc1)CNc2ccccc2 207a_100000106764_100011361452 [0,2,0,0,0,0|1,0,0]=3 23505 B17R2.48 C#Cc1ccc(cc1)CNc2ccccc2 34a_100000106764_100000140223 [0,2,0,0,0,0|1,0,0]=3 23506 B17R2.48 C#Cc1ccc(cc1)COc2ccccc2 34a_100000210340_100000140223 [0,2,0,0,0,0|2,0,0]=4 23507 B17R2.48 C#Cc1ccc(cc1)COc2ccccc2 7a_100000210340_100000140223 [0,2,0,0,0,0|2,0,0]=4 23508 B17R2.48 C#Cc1ccc(cc1)COc2cccnc2 34a_100000210849_100000140223 [0,2,0,0,0,0|2,0,0]=4 23509 B17R2.48 C#Cc1ccc(cc1)COc2cccnc2 7a_100000210849_100000140223 [0,2,0,0,0,0|2,0,0]=4 23510 B17R2.48 C#Cc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000140223 [0,2,0,0,0,0|2,0,0]=4 23511 B17R2.48 C#Cc1ccc(cc1)CSc2cccnc2 62a_100000210063_100000140223 [0,2,0,0,0,0|2,0,0]=4 23512 B17R2.48 C#Cc1ccc(cc1)NCc2ccccc2 34a_100011215031_100015291786 [0,2,0,0,0,0|1,0,0]=3 23513 B17R2.48 C#Cc1ccc(cc1)NCc2ccccn2 34a_100011215031_100000721315 [0,2,0,0,0,0|2,0,0]=4 23514 B17R2.48 C#Cc1ccc(cc1)NCc2cccnc2 34a_100011215031_100000733263 [0,2,0,0,0,0|0,0,0]=2 23515 B17R2.48 C#Cc1ccc(cc1)NCc2cccnn2 34a_100011215031_100016990269 [0,2,0,0,0,0|1,0,0]=3 23516 B17R2.48 C#Cc1ccc(cc1)NCc2cnccn2 34a_100011215031_100016995436 [0,2,0,0,0,0|1,0,0]=3 23517 B17R2.48 C#Cc1ccc(cc1)NCc2cncnc2 34a_100011215031_100015196519 [0,2,0,0,0,0|1,0,0]=3 23518 B17R2.48 C#Cc1ccc(nc1)OCc2cccnc2 34a_200009884252_100000733263 [0,2,0,0,0,0|2,0,0]=4 23519 B17R2.48 C=Cc1ccc(cc1)CNc2ccccc2 270302a_100000106764_100011361436 [0,2,0,0,0,0|1,0,0]=3 23520 B17R2.48 C=Cc1ccc(cc1)CNc2ccccc2 34a_100000106764_100000034074 [0,2,0,0,0,0|1,0,0]=3 23521 B17R2.48 C=Cc1ccc(cc1)COc2ccccc2 34a_100000210340_100000034074 [0,2,0,0,0,0|2,0,0]=4 23522 B17R2.48 C=Cc1ccc(cc1)COc2ccccc2 7a_100000210340_100000034074 [0,2,0,0,0,0|2,0,0]=4 23523 B17R2.48 C=Cc1ccc(cc1)COc2cccnc2 34a_100000210849_100000034074 [0,2,0,0,0,0|2,0,0]=4 23524 B17R2.48 C=Cc1ccc(cc1)COc2cccnc2 7a_100000210849_100000034074 [0,2,0,0,0,0|2,0,0]=4 23525 B17R2.48 C=Cc1ccc(cc1)CSc2ccccc2 62a_100000034074_100000041952 [0,2,0,0,0,0|2,0,0]=4 23526 B17R2.48 C=Cc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000034074 [0,2,0,0,0,0|2,0,0]=4 23527 B17R2.48 C=Cc1ccc(cc1)CSc2cccnc2 62a_100000034074_100000210063 [0,2,0,0,0,0|2,0,0]=4 23528 B17R2.48 C=Cc1ccc(cc1)CSc2cccnc2 62a_100000210063_100000034074 [0,2,0,0,0,0|2,0,0]=4 23529 B17R2.48 C=Cc1ccc(cc1)NCc2ccccc2 207a_100011218248_100015611070 [0,2,0,0,0,0|1,0,0]=3 23530 B17R2.48 C=Cc1ccc(cc1)NCc2ccccc2 270302a_100011218248_100015611070 [0,2,0,0,0,0|1,0,0]=3 23531 B17R2.48 C=Cc1ccc(cc1)NCc2ccccc2 271570a_100011290941_100000187040 [0,2,0,0,0,0|1,0,0]=3 23532 B17R2.48 C=Cc1ccc(cc1)NCc2ccccc2 34a_100011218248_100015291786 [0,2,0,0,0,0|1,0,0]=3 23533 B17R2.48 C=Cc1ccc(cc1)NCc2ccccn2 207a_100011218248_100000209966 [0,2,0,0,0,0|2,0,0]=4 23534 B17R2.48 C=Cc1ccc(cc1)NCc2ccccn2 270302a_100011218248_100000209966 [0,2,0,0,0,0|2,0,0]=4 23535 B17R2.48 C=Cc1ccc(cc1)NCc2ccccn2 271570a_100011290941_100000238286 [0,2,0,0,0,0|2,0,0]=4 23536 B17R2.48 C=Cc1ccc(cc1)NCc2ccccn2 34a_100011218248_100000721315 [0,2,0,0,0,0|2,0,0]=4 23537 B17R2.48 C=Cc1ccc(cc1)NCc2cccnc2 207a_100011218248_100000209961 [0,2,0,0,0,0|0,0,0]=2 23538 B17R2.48 C=Cc1ccc(cc1)NCc2cccnc2 270302a_100011218248_100000209961 [0,2,0,0,0,0|0,0,0]=2 23539 B17R2.48 C=Cc1ccc(cc1)NCc2cccnc2 271570a_100011290941_100000189165 [0,2,0,0,0,0|0,0,0]=2 23540 B17R2.48 C=Cc1ccc(cc1)NCc2cccnc2 34a_100011218248_100000733263 [0,2,0,0,0,0|0,0,0]=2 23541 B17R2.48 C=Cc1ccc(cc1)NCc2cccnn2 34a_100011218248_100016990269 [0,2,0,0,0,0|1,0,0]=3 23542 B17R2.48 C=Cc1ccc(cc1)NCc2ccncc2 207a_100011218248_100000186114 [0,2,0,0,0,0|2,0,0]=4 23543 B17R2.48 C=Cc1ccc(cc1)NCc2ccnnc2 270302a_100011218248_100011934578 [0,2,0,0,0,0|1,0,0]=3 23544 B17R2.48 C=Cc1ccc(cc1)NCc2cnccn2 34a_100011218248_100016995436 [0,2,0,0,0,0|1,0,0]=3 23545 B17R2.48 C=Cc1ccc(cc1)NCc2cncnc2 270302a_100011218248_100000749868 [0,2,0,0,0,0|1,0,0]=3 23546 B17R2.48 C=Cc1ccc(cc1)NCc2cncnc2 34a_100011218248_100015196519 [0,2,0,0,0,0|1,0,0]=3 23547 B17R2.48 C=Cc1ccc(cc1)OCc2ccccc2 271570a_100011290941_100000151783 [0,2,0,0,0,0|2,0,0]=4 23548 B17R2.48 C=Cc1ccc(cc1)OCc2ccccc2 34a_100000189437_100015291786 [0,2,0,0,0,0|2,0,0]=4 23549 B17R2.48 C=Cc1ccc(cc1)OCc2ccccc2 7a_100000189437_100000211182 [0,2,0,0,0,0|2,0,0]=4 23550 B17R2.48 C=Cc1ccc(cc1)OCc2cccnc2 34a_100000189437_100000733263 [0,2,0,0,0,0|1,0,0]=3 23551 B17R2.48 C=Cc1ccc(cc1)OCc2cccnc2 7a_100000189437_100000741622 [0,2,0,0,0,0|1,0,0]=3 23552 B17R2.48 C=Cc1ccc(cc1)OCc2cccnn2 34a_100000189437_100016990269 [0,2,0,0,0,0|2,0,0]=4 23553 B17R2.48 C=Cc1ccc(cc1)OCc2cccnn2 7a_100000189437_100016990269 [0,2,0,0,0,0|2,0,0]=4 23554 B17R2.48 C=Cc1ccc(cc1)OCc2cnccn2 34a_100000189437_100016995436 [0,2,0,0,0,0|2,0,0]=4 23555 B17R2.48 C=Cc1ccc(cc1)OCc2cnccn2 7a_100000189437_100016995436 [0,2,0,0,0,0|2,0,0]=4 23556 B17R2.48 C=Cc1ccc(cc1)OCc2cncnc2 34a_100000189437_100015196519 [0,2,0,0,0,0|2,0,0]=4 23557 B17R2.48 C=Cc1ccc(cc1)OCc2cncnc2 7a_100000189437_100015196519 [0,2,0,0,0,0|2,0,0]=4 23558 B17R2.48 C=Cc1ccc(cc1)SCc2ccccc2 271570a_100011290941_100009811532 [0,2,0,0,0,0|2,0,0]=4 23559 B17R2.48 C=Cc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000748128 [0,2,0,0,0,0|2,0,0]=4 23560 B17R2.48 C=Cc1ccc(cc1)SCc2ccccc2 62a_100000748128_100015291786 [0,2,0,0,0,0|2,0,0]=4 23561 B17R2.48 C=Cc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000748128 [0,2,0,0,0,0|1,0,0]=3 23562 B17R2.48 C=Cc1ccc(cc1)SCc2cccnc2 62a_100000748128_100000741622 [0,2,0,0,0,0|1,0,0]=3 23563 B17R2.48 C=Cc1ccc(cc1)SCc2cccnn2 62a_100000748128_100016990269 [0,2,0,0,0,0|2,0,0]=4 23564 B17R2.48 C=Cc1ccc(cc1)SCc2cccnn2 62a_100016990269_100000748128 [0,2,0,0,0,0|2,0,0]=4 23565 B17R2.48 C=Cc1ccc(cc1)SCc2cnccn2 62a_100000748128_100016995436 [0,2,0,0,0,0|2,0,0]=4 23566 B17R2.48 C=Cc1ccc(cc1)SCc2cnccn2 62a_100016995436_100000748128 [0,2,0,0,0,0|2,0,0]=4 23567 B17R2.48 C=Cc1ccc(cc1)SCc2cncnc2 62a_100000748128_100015196519 [0,2,0,0,0,0|2,0,0]=4 23568 B17R2.48 C=Cc1ccc(cc1)SCc2cncnc2 62a_100015196519_100000748128 [0,2,0,0,0,0|2,0,0]=4 23569 B17R2.48 C=Cc1ccc(cn1)OCc2ccccc2 271570a_100011290941_200012361712 [0,2,0,0,0,0|2,0,0]=4 23570 B17R2.48 C=Cc1ccc(nc1)NCc2ccccc2 271570a_100011290941_200000239955 [0,2,0,0,0,0|2,0,0]=4 23571 B17R2.48 C=Cc1ccc(nc1)SCc2cccnc2 62a_100000741622_103436540071 [0,2,0,0,0,0|2,0,0]=4 23572 B17R2.48 C=Cc1ccc(nc1)SCc2cccnc2 62a_103436540071_100000741622 [0,2,0,0,0,0|2,0,0]=4 23573 B17R2.48 C=Cc1cnc(nc1)NCc2cccnc2 27a_100000210453_200000143982 [0,2,0,0,0,0|2,0,0]=4 23574 B17R2.48 CCc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100011215824 [0,2,0,0,0,0|1,0,1]=4 23575 B17R2.48 CCc1ccc(cc1)C=Cc2cccnc2 271570a_200000062238_100000752921 [0,2,0,0,0,0|1,0,1]=4 23576 B17R2.48 CCc1ccc(cc1)CNc2ccccc2 207a_100000106764_100000211036 [0,2,0,0,0,0|1,0,0]=3 23577 B17R2.48 CCc1ccc(cc1)CNc2ccccc2 270302a_100000106764_100000211036 [0,2,0,0,0,0|1,0,0]=3 23578 B17R2.48 CCc1ccc(cc1)CNc2ccccc2 34a_100000106764_100000747183 [0,2,0,0,0,0|1,0,0]=3 23579 B17R2.48 CCc1ccc(cc1)COc2ccccc2 34a_100000210340_100000747183 [0,2,0,0,0,0|2,0,0]=4 23580 B17R2.48 CCc1ccc(cc1)COc2ccccc2 7a_100000210340_100000747183 [0,2,0,0,0,0|2,0,0]=4 23581 B17R2.48 CCc1ccc(cc1)COc2cccnc2 34a_100000210849_100000747183 [0,2,0,0,0,0|2,0,0]=4 23582 B17R2.48 CCc1ccc(cc1)COc2cccnc2 7a_100000210849_100000747183 [0,2,0,0,0,0|2,0,0]=4 23583 B17R2.48 CCc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000747183 [0,2,0,0,0,0|2,0,0]=4 23584 B17R2.48 CCc1ccc(cc1)CSc2ccccc2 62a_100000757233_100000041952 [0,2,0,0,0,0|2,0,0]=4 23585 B17R2.48 CCc1ccc(cc1)CSc2cccnc2 62a_100000210063_100000747183 [0,2,0,0,0,0|2,0,0]=4 23586 B17R2.48 CCc1ccc(cc1)CSc2cccnc2 62a_100000757233_100000210063 [0,2,0,0,0,0|2,0,0]=4 23587 B17R2.48 CCc1ccc(cc1)NCc2ccccc2 207a_100000211069_100015611070 [0,2,0,0,0,0|1,0,0]=3 23588 B17R2.48 CCc1ccc(cc1)NCc2ccccc2 2230a_100000211069_100015291786 [0,2,0,0,0,0|1,0,0]=3 23589 B17R2.48 CCc1ccc(cc1)NCc2ccccc2 270302a_100000211069_100015611070 [0,2,0,0,0,0|1,0,0]=3 23590 B17R2.48 CCc1ccc(cc1)NCc2ccccc2 34a_100000211069_100015291786 [0,2,0,0,0,0|1,0,0]=3 23591 B17R2.48 CCc1ccc(cc1)NCc2ccccn2 207a_100000211069_100000209966 [0,2,0,0,0,0|2,0,0]=4 23592 B17R2.48 CCc1ccc(cc1)NCc2ccccn2 2230a_100000211069_100000721315 [0,2,0,0,0,0|2,0,0]=4 23593 B17R2.48 CCc1ccc(cc1)NCc2ccccn2 270302a_100000211069_100000209966 [0,2,0,0,0,0|2,0,0]=4 23594 B17R2.48 CCc1ccc(cc1)NCc2ccccn2 34a_100000211069_100000721315 [0,2,0,0,0,0|2,0,0]=4 23595 B17R2.48 CCc1ccc(cc1)NCc2cccnc2 207a_100000211069_100000209961 [0,2,0,0,0,0|0,0,0]=2 23596 B17R2.48 CCc1ccc(cc1)NCc2cccnc2 2230a_100000211069_100000741622 [0,2,0,0,0,0|0,0,0]=2 23597 B17R2.48 CCc1ccc(cc1)NCc2cccnc2 270302a_100000211069_100000209961 [0,2,0,0,0,0|0,0,0]=2 23598 B17R2.48 CCc1ccc(cc1)NCc2cccnc2 34a_100000211069_100000733263 [0,2,0,0,0,0|0,0,0]=2 23599 B17R2.48 CCc1ccc(cc1)NCc2cccnn2 2230a_100000211069_100016990269 [0,2,0,0,0,0|1,0,0]=3 23600 B17R2.48 CCc1ccc(cc1)NCc2cccnn2 34a_100000211069_100016990269 [0,2,0,0,0,0|1,0,0]=3 23601 B17R2.48 CCc1ccc(cc1)NCc2ccncc2 207a_100000211069_100000186114 [0,2,0,0,0,0|2,0,0]=4 23602 B17R2.48 CCc1ccc(cc1)NCc2ccncc2 2230a_100000211069_100015193705 [0,2,0,0,0,0|2,0,0]=4 23603 B17R2.48 CCc1ccc(cc1)NCc2ccnnc2 270302a_100000211069_100011934578 [0,2,0,0,0,0|1,0,0]=3 23604 B17R2.48 CCc1ccc(cc1)NCc2cnccn2 2230a_100000211069_100016995436 [0,2,0,0,0,0|1,0,0]=3 23605 B17R2.48 CCc1ccc(cc1)NCc2cnccn2 34a_100000211069_100016995436 [0,2,0,0,0,0|1,0,0]=3 23606 B17R2.48 CCc1ccc(cc1)NCc2cncnc2 2230a_100000211069_100015196519 [0,2,0,0,0,0|1,0,0]=3 23607 B17R2.48 CCc1ccc(cc1)NCc2cncnc2 270302a_100000211069_100000749868 [0,2,0,0,0,0|1,0,0]=3 23608 B17R2.48 CCc1ccc(cc1)NCc2cncnc2 34a_100000211069_100015196519 [0,2,0,0,0,0|1,0,0]=3 23609 B17R2.48 CCc1ccc(cc1)OCc2ccccc2 34a_100000211359_100015291786 [0,2,0,0,0,0|2,0,0]=4 23610 B17R2.48 CCc1ccc(cc1)OCc2ccccc2 7a_100000211359_100000211182 [0,2,0,0,0,0|2,0,0]=4 23611 B17R2.48 CCc1ccc(cc1)OCc2cccnc2 34a_100000211359_100000733263 [0,2,0,0,0,0|1,0,0]=3 23612 B17R2.48 CCc1ccc(cc1)OCc2cccnc2 7a_100000211359_100000741622 [0,2,0,0,0,0|1,0,0]=3 23613 B17R2.48 CCc1ccc(cc1)OCc2cccnn2 34a_100000211359_100016990269 [0,2,0,0,0,0|2,0,0]=4 23614 B17R2.48 CCc1ccc(cc1)OCc2cccnn2 7a_100000211359_100016990269 [0,2,0,0,0,0|2,0,0]=4 23615 B17R2.48 CCc1ccc(cc1)OCc2cnccn2 34a_100000211359_100016995436 [0,2,0,0,0,0|2,0,0]=4 23616 B17R2.48 CCc1ccc(cc1)OCc2cnccn2 7a_100000211359_100016995436 [0,2,0,0,0,0|2,0,0]=4 23617 B17R2.48 CCc1ccc(cc1)OCc2cncnc2 34a_100000211359_100015196519 [0,2,0,0,0,0|2,0,0]=4 23618 B17R2.48 CCc1ccc(cc1)OCc2cncnc2 7a_100000211359_100015196519 [0,2,0,0,0,0|2,0,0]=4 23619 B17R2.48 CCc1ccc(cc1)SCc2ccccc2 62a_100000211182_100011215824 [0,2,0,0,0,0|2,0,0]=4 23620 B17R2.48 CCc1ccc(cc1)SCc2ccccc2 62a_100011215824_100015291786 [0,2,0,0,0,0|2,0,0]=4 23621 B17R2.48 CCc1ccc(cc1)SCc2cccnc2 62a_100000741622_100011215824 [0,2,0,0,0,0|1,0,0]=3 23622 B17R2.48 CCc1ccc(cc1)SCc2cccnc2 62a_100011215824_100000741622 [0,2,0,0,0,0|1,0,0]=3 23623 B17R2.48 CCc1ccc(cc1)SCc2cccnn2 62a_100011215824_100016990269 [0,2,0,0,0,0|2,0,0]=4 23624 B17R2.48 CCc1ccc(cc1)SCc2cccnn2 62a_100016990269_100011215824 [0,2,0,0,0,0|2,0,0]=4 23625 B17R2.48 CCc1ccc(cc1)SCc2cnccn2 62a_100011215824_100016995436 [0,2,0,0,0,0|2,0,0]=4 23626 B17R2.48 CCc1ccc(cc1)SCc2cnccn2 62a_100016995436_100011215824 [0,2,0,0,0,0|2,0,0]=4 23627 B17R2.48 CCc1ccc(cc1)SCc2cncnc2 62a_100011215824_100015196519 [0,2,0,0,0,0|2,0,0]=4 23628 B17R2.48 CCc1ccc(cc1)SCc2cncnc2 62a_100015196519_100011215824 [0,2,0,0,0,0|2,0,0]=4 23629 B17R2.48 CCc1ccc(cn1)C#Cc2ccccc2 271570a_100000069678_100009820025 [0,2,0,0,0,0|1,0,1]=4 23630 B17R2.48 CCc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100009820025 [0,2,0,0,0,0|1,0,1]=4 23631 B17R2.48 CCc1ccc(cn1)SCc2ccccc2 62a_100000211182_100009820025 [0,2,0,0,0,0|2,0,0]=4 23632 B17R2.48 CCc1ccc(cn1)SCc2ccccc2 62a_100009820025_100015291786 [0,2,0,0,0,0|2,0,0]=4 23633 B17R2.48 CCc1ccc(cn1)SCc2cccnc2 62a_100000741622_100009820025 [0,2,0,0,0,0|2,0,0]=4 23634 B17R2.48 CCc1ccc(cn1)SCc2cccnc2 62a_100009820025_100000741622 [0,2,0,0,0,0|2,0,0]=4 23635 B17R2.48 CCc1ccc(nc1)CNc2ccccc2 207a_100000106764_100000069529 [0,2,0,0,0,0|2,0,0]=4 23636 B17R2.48 CCc1ccc(nc1)CNc2ccccc2 270302a_100000106764_100000069529 [0,2,0,0,0,0|2,0,0]=4 23637 B17R2.48 CCc1ccc(nc1)SCc2cccnc2 62a_100000741622_100009843584 [0,2,0,0,0,0|2,0,0]=4 23638 B17R2.48 CCc1ccc(nc1)SCc2cccnc2 62a_100009843584_100000741622 [0,2,0,0,0,0|2,0,0]=4 23639 B17R2.48 CCc1cnc(nc1)NCc2cccnc2 27a_100000210453_100000033099 [0,2,0,0,0,0|2,0,0]=4 23640 B17R2.48 CNc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000219623 [0,2,0,0,0,0|1,0,1]=4 23641 B17R2.48 CNc1ccc(cc1)CCc2ccccc2 2230a_100103152855_200000210301 [0,2,0,0,0,0|2,0,0]=4 23642 B17R2.48 CNc1ccc(cc1)CCc2ccccc2 34a_100103152855_200000210301 [0,2,0,0,0,0|2,0,0]=4 23643 B17R2.48 CNc1ccc(cc1)CCc2ccccc2 7a_100103152855_200000210301 [0,2,0,0,0,0|2,0,0]=4 23644 B17R2.48 CNc1ccc(cc1)OCc2ccccc2 34a_100000182112_100015291786 [0,2,0,0,0,0|2,0,0]=4 23645 B17R2.48 CNc1ccc(cc1)OCc2ccccc2 34a_100000715749_200000210301 [0,2,0,0,0,0|2,0,0]=4 23646 B17R2.48 CNc1ccc(cc1)OCc2cccnc2 34a_100000182112_100000733263 [0,2,0,0,0,0|1,0,0]=3 23647 B17R2.48 CNc1ccc(cc1)OCc2cccnc2 34a_100000751746_200000210301 [0,2,0,0,0,0|1,0,0]=3 23648 B17R2.48 CNc1ccc(cc1)OCc2cccnn2 34a_100000182112_100016990269 [0,2,0,0,0,0|2,0,0]=4 23649 B17R2.48 CNc1ccc(cc1)OCc2cnccn2 34a_100000182112_100016995436 [0,2,0,0,0,0|2,0,0]=4 23650 B17R2.48 CNc1ccc(cc1)OCc2cncnc2 34a_100000182112_100015196519 [0,2,0,0,0,0|2,0,0]=4 23651 B17R2.48 CNc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000743151 [0,2,0,0,0,0|2,0,0]=4 23652 B17R2.48 CNc1ccc(cc1)SCc2ccccc2 62a_100000743151_100015291786 [0,2,0,0,0,0|2,0,0]=4 23653 B17R2.48 CNc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000743151 [0,2,0,0,0,0|1,0,0]=3 23654 B17R2.48 CNc1ccc(cc1)SCc2cccnc2 62a_100000743151_100000741622 [0,2,0,0,0,0|1,0,0]=3 23655 B17R2.48 CNc1ccc(cc1)SCc2cccnn2 62a_100000743151_100016990269 [0,2,0,0,0,0|2,0,0]=4 23656 B17R2.48 CNc1ccc(cc1)SCc2cccnn2 62a_100016990269_100000743151 [0,2,0,0,0,0|2,0,0]=4 23657 B17R2.48 CNc1ccc(cc1)SCc2cnccn2 62a_100000743151_100016995436 [0,2,0,0,0,0|2,0,0]=4 23658 B17R2.48 CNc1ccc(cc1)SCc2cnccn2 62a_100016995436_100000743151 [0,2,0,0,0,0|2,0,0]=4 23659 B17R2.48 CNc1ccc(cc1)SCc2cncnc2 62a_100000743151_100015196519 [0,2,0,0,0,0|2,0,0]=4 23660 B17R2.48 CNc1ccc(cc1)SCc2cncnc2 62a_100015196519_100000743151 [0,2,0,0,0,0|2,0,0]=4 23661 B17R2.48 CNc1ccc(cn1)C#Cc2ccccc2 271570a_100000069678_100000741341 [0,2,0,0,0,0|1,0,1]=4 23662 B17R2.48 CNc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100000741341 [0,2,0,0,0,0|1,0,1]=4 23663 B17R2.48 CNc1ccc(cn1)SCc2ccccc2 62a_100000211182_100000741341 [0,2,0,0,0,0|2,0,0]=4 23664 B17R2.48 CNc1ccc(cn1)SCc2ccccc2 62a_100000741341_100015291786 [0,2,0,0,0,0|2,0,0]=4 23665 B17R2.48 CNc1ccc(cn1)SCc2cccnc2 62a_100000741341_100000741622 [0,2,0,0,0,0|2,0,0]=4 23666 B17R2.48 CNc1ccc(cn1)SCc2cccnc2 62a_100000741622_100000741341 [0,2,0,0,0,0|2,0,0]=4 23667 B17R2.48 CNc1ccc(nc1)SCc2cccnc2 62a_100000741622_100000764248 [0,2,0,0,0,0|2,0,0]=4 23668 B17R2.48 CNc1ccc(nc1)SCc2cccnc2 62a_100000764248_100000741622 [0,2,0,0,0,0|2,0,0]=4 23669 B17R2.48 COc1ccc(cc1)C=Cc2cccnc2 271570a_100000062342_100000752921 [0,2,0,0,0,0|1,0,1]=4 23670 B17R2.48 COc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000171711 [0,2,0,0,0,0|1,0,1]=4 23671 B17R2.48 COc1ccc(cc1)CNc2ccccc2 207a_100000106764_100000169835 [0,2,0,0,0,0|1,0,0]=3 23672 B17R2.48 COc1ccc(cc1)CNc2ccccc2 270302a_100000106764_100000169835 [0,2,0,0,0,0|1,0,0]=3 23673 B17R2.48 COc1ccc(cc1)CNc2ccccc2 34a_100000106764_100000742318 [0,2,0,0,0,0|1,0,0]=3 23674 B17R2.48 COc1ccc(cc1)COc2ccccc2 34a_100000210340_100000742318 [0,2,0,0,0,0|2,0,0]=4 23675 B17R2.48 COc1ccc(cc1)COc2ccccc2 7a_100000210340_100000742318 [0,2,0,0,0,0|2,0,0]=4 23676 B17R2.48 COc1ccc(cc1)COc2cccnc2 34a_100000210849_100000742318 [0,2,0,0,0,0|2,0,0]=4 23677 B17R2.48 COc1ccc(cc1)COc2cccnc2 7a_100000210849_100000742318 [0,2,0,0,0,0|2,0,0]=4 23678 B17R2.48 COc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000742318 [0,2,0,0,0,0|2,0,0]=4 23679 B17R2.48 COc1ccc(cc1)CSc2cccnc2 62a_100000210063_100000742318 [0,2,0,0,0,0|2,0,0]=4 23680 B17R2.48 COc1ccc(cc1)NCc2ccccc2 207a_100000184247_100015611070 [0,2,0,0,0,0|1,0,0]=3 23681 B17R2.48 COc1ccc(cc1)NCc2ccccc2 270302a_100000184247_100015611070 [0,2,0,0,0,0|1,0,0]=3 23682 B17R2.48 COc1ccc(cc1)NCc2ccccc2 34a_100000184247_100015291786 [0,2,0,0,0,0|1,0,0]=3 23683 B17R2.48 COc1ccc(cc1)NCc2ccccc2 34a_200000188756_200000210301 [0,2,0,0,0,0|1,0,0]=3 23684 B17R2.48 COc1ccc(cc1)NCc2ccccn2 207a_100000184247_100000209966 [0,2,0,0,0,0|2,0,0]=4 23685 B17R2.48 COc1ccc(cc1)NCc2ccccn2 270302a_100000184247_100000209966 [0,2,0,0,0,0|2,0,0]=4 23686 B17R2.48 COc1ccc(cc1)NCc2ccccn2 34a_100000184247_100000721315 [0,2,0,0,0,0|2,0,0]=4 23687 B17R2.48 COc1ccc(cc1)NCc2cccnc2 207a_100000184247_100000209961 [0,2,0,0,0,0|0,0,0]=2 23688 B17R2.48 COc1ccc(cc1)NCc2cccnc2 270302a_100000184247_100000209961 [0,2,0,0,0,0|0,0,0]=2 23689 B17R2.48 COc1ccc(cc1)NCc2cccnc2 34a_100000184247_100000733263 [0,2,0,0,0,0|0,0,0]=2 23690 B17R2.48 COc1ccc(cc1)NCc2cccnn2 34a_100000184247_100016990269 [0,2,0,0,0,0|1,0,0]=3 23691 B17R2.48 COc1ccc(cc1)NCc2ccncc2 207a_100000184247_100000186114 [0,2,0,0,0,0|2,0,0]=4 23692 B17R2.48 COc1ccc(cc1)NCc2ccnnc2 270302a_100000184247_100011934578 [0,2,0,0,0,0|1,0,0]=3 23693 B17R2.48 COc1ccc(cc1)NCc2cnccn2 34a_100000184247_100016995436 [0,2,0,0,0,0|1,0,0]=3 23694 B17R2.48 COc1ccc(cc1)NCc2cncnc2 270302a_100000184247_100000749868 [0,2,0,0,0,0|1,0,0]=3 23695 B17R2.48 COc1ccc(cc1)NCc2cncnc2 34a_100000184247_100015196519 [0,2,0,0,0,0|1,0,0]=3 23696 B17R2.48 COc1ccc(cc1)OCc2ccccc2 34a_100000210503_100015291786 [0,2,0,0,0,0|2,0,0]=4 23697 B17R2.48 COc1ccc(cc1)OCc2ccccc2 34a_100000211210_200000210301 [0,2,0,0,0,0|2,0,0]=4 23698 B17R2.48 COc1ccc(cc1)OCc2ccccc2 7a_100000211210_200000210301 [0,2,0,0,0,0|2,0,0]=4 23699 B17R2.48 COc1ccc(cc1)OCc2cccnc2 34a_100000210503_100000733263 [0,2,0,0,0,0|1,0,0]=3 23700 B17R2.48 COc1ccc(cc1)OCc2cccnn2 34a_100000210503_100016990269 [0,2,0,0,0,0|2,0,0]=4 23701 B17R2.48 COc1ccc(cc1)OCc2cnccn2 34a_100000210503_100016995436 [0,2,0,0,0,0|2,0,0]=4 23702 B17R2.48 COc1ccc(cc1)OCc2cncnc2 34a_100000210503_100015196519 [0,2,0,0,0,0|2,0,0]=4 23703 B17R2.48 COc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000171711 [0,2,0,0,0,0|2,0,0]=4 23704 B17R2.48 COc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000171711 [0,2,0,0,0,0|1,0,0]=3 23705 B17R2.48 COc1ccc(cc1)SCc2cccnn2 62a_100016990269_100000171711 [0,2,0,0,0,0|2,0,0]=4 23706 B17R2.48 COc1ccc(cc1)SCc2cnccn2 62a_100016995436_100000171711 [0,2,0,0,0,0|2,0,0]=4 23707 B17R2.48 COc1ccc(cc1)SCc2cncnc2 62a_100015196519_100000171711 [0,2,0,0,0,0|2,0,0]=4 23708 B17R2.48 COc1ccc(cn1)C#Cc2ccccc2 271570a_100000069678_100000047065 [0,2,0,0,0,0|1,0,1]=4 23709 B17R2.48 COc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100000047065 [0,2,0,0,0,0|1,0,1]=4 23710 B17R2.48 COc1ccc(cn1)CNc2ccccc2 207a_100000106764_100000761633 [0,2,0,0,0,0|0,0,0]=2 23711 B17R2.48 COc1ccc(cn1)CNc2ccccc2 270302a_100000106764_100000761633 [0,2,0,0,0,0|0,0,0]=2 23712 B17R2.48 COc1ccc(cn1)CNc2ccccc2 34a_100000106764_100020631284 [0,2,0,0,0,0|0,0,0]=2 23713 B17R2.48 COc1ccc(cn1)CNc2cccnn2 27a_100000241975_100016991348 [0,2,0,0,0,0|2,0,0]=4 23714 B17R2.48 COc1ccc(cn1)CNc2ccncn2 27a_100000241975_100000703185 [0,2,0,0,0,0|2,0,0]=4 23715 B17R2.48 COc1ccc(cn1)CNc2cnccn2 27a_100000241975_100000211759 [0,2,0,0,0,0|2,0,0]=4 23716 B17R2.48 COc1ccc(cn1)CNc2ncccn2 27a_100000241975_100000211032 [0,2,0,0,0,0|2,0,0]=4 23717 B17R2.48 COc1ccc(cn1)COc2ccccc2 34a_100000210340_100020631284 [0,2,0,0,0,0|1,0,0]=3 23718 B17R2.48 COc1ccc(cn1)COc2ccccc2 7a_100000210340_100020631284 [0,2,0,0,0,0|1,0,0]=3 23719 B17R2.48 COc1ccc(cn1)COc2cccnc2 34a_100000210849_100020631284 [0,2,0,0,0,0|2,0,0]=4 23720 B17R2.48 COc1ccc(cn1)COc2cccnc2 7a_100000210849_100020631284 [0,2,0,0,0,0|2,0,0]=4 23721 B17R2.48 COc1ccc(cn1)COc2ccncc2 34a_100000212176_100020631284 [0,2,0,0,0,0|2,0,0]=4 23722 B17R2.48 COc1ccc(cn1)CSc2ccccc2 62a_100000719477_100020631284 [0,2,0,0,0,0|1,0,0]=3 23723 B17R2.48 COc1ccc(cn1)CSc2ccccc2 62a_100020631284_100000041952 [0,2,0,0,0,0|1,0,0]=3 23724 B17R2.48 COc1ccc(cn1)CSc2ccccn2 62a_100011216584_100020631284 [0,2,0,0,0,0|2,0,0]=4 23725 B17R2.48 COc1ccc(cn1)CSc2ccccn2 62a_100020631284_100011216584 [0,2,0,0,0,0|2,0,0]=4 23726 B17R2.48 COc1ccc(cn1)CSc2cccnc2 62a_100000210063_100020631284 [0,2,0,0,0,0|2,0,0]=4 23727 B17R2.48 COc1ccc(cn1)CSc2cccnc2 62a_100020631284_100000210063 [0,2,0,0,0,0|2,0,0]=4 23728 B17R2.48 COc1ccc(cn1)CSc2ccncc2 62a_100000728582_100020631284 [0,2,0,0,0,0|2,0,0]=4 23729 B17R2.48 COc1ccc(cn1)CSc2ccncc2 62a_100020631284_100000728582 [0,2,0,0,0,0|2,0,0]=4 23730 B17R2.48 COc1ccc(cn1)OCc2ccccc2 34a_100011934560_100015291786 [0,2,0,0,0,0|2,0,0]=4 23731 B17R2.48 COc1ccc(cn1)OCc2cccnc2 34a_100011934560_100000733263 [0,2,0,0,0,0|2,0,0]=4 23732 B17R2.48 COc1ccc(cn1)SCc2ccccc2 62a_100000047065_100015291786 [0,2,0,0,0,0|2,0,0]=4 23733 B17R2.48 COc1ccc(cn1)SCc2ccccc2 62a_100000211182_100000047065 [0,2,0,0,0,0|2,0,0]=4 23734 B17R2.48 COc1ccc(cn1)SCc2cccnc2 62a_100000047065_100000741622 [0,2,0,0,0,0|2,0,0]=4 23735 B17R2.48 COc1ccc(cn1)SCc2cccnc2 62a_100000741622_100000047065 [0,2,0,0,0,0|2,0,0]=4 23736 B17R2.48 COc1ccc(nc1)CNc2ccccc2 207a_100000106764_100000701244 [0,2,0,0,0,0|2,0,0]=4 23737 B17R2.48 COc1ccc(nc1)CNc2ccccc2 34a_100000106764_200000757186 [0,2,0,0,0,0|2,0,0]=4 23738 B17R2.48 COc1ccc(nc1)OCc2cccnc2 34a_100012002028_100000733263 [0,2,0,0,0,0|2,0,0]=4 23739 B17R2.48 COc1ccc(nc1)SCc2cccnc2 62a_100000741622_100000744180 [0,2,0,0,0,0|2,0,0]=4 23740 B17R2.48 COc1ccc(nc1)SCc2cccnc2 62a_100000755202_100000741622 [0,2,0,0,0,0|2,0,0]=4 23741 B17R2.48 COc1ccc(nn1)NCc2cccnc2 27a_100000210453_100010231723 [0,2,0,0,0,0|2,0,0]=4 23742 B17R2.48 COc1cnc(cn1)CNc2ccccc2 207a_100000106764_100000099869 [0,2,0,0,0,0|1,0,0]=3 23743 B17R2.48 COc1cnc(nc1)NCc2cccnc2 27a_100000210453_100000069167 [0,2,0,0,0,0|2,0,0]=4 23744 B17R2.48 CSc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100011263217 [0,2,0,0,0,0|1,0,1]=4 23745 B17R2.48 CSc1ccc(cc1)CNc2ccccc2 207a_100000106764_100000211154 [0,2,0,0,0,0|1,0,0]=3 23746 B17R2.48 CSc1ccc(cc1)CNc2ccccc2 34a_100000106764_100000181263 [0,2,0,0,0,0|1,0,0]=3 23747 B17R2.48 CSc1ccc(cc1)COc2ccccc2 34a_100000210340_100000181263 [0,2,0,0,0,0|2,0,0]=4 23748 B17R2.48 CSc1ccc(cc1)COc2ccccc2 7a_100000210340_100000181263 [0,2,0,0,0,0|2,0,0]=4 23749 B17R2.48 CSc1ccc(cc1)COc2cccnc2 34a_100000210849_100000181263 [0,2,0,0,0,0|2,0,0]=4 23750 B17R2.48 CSc1ccc(cc1)COc2cccnc2 7a_100000210849_100000181263 [0,2,0,0,0,0|2,0,0]=4 23751 B17R2.48 CSc1ccc(cc1)CSc2ccccc2 62a_100000181263_100000041952 [0,2,0,0,0,0|2,0,0]=4 23752 B17R2.48 CSc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000181263 [0,2,0,0,0,0|2,0,0]=4 23753 B17R2.48 CSc1ccc(cc1)CSc2cccnc2 62a_100000181263_100000210063 [0,2,0,0,0,0|2,0,0]=4 23754 B17R2.48 CSc1ccc(cc1)CSc2cccnc2 62a_100000210063_100000181263 [0,2,0,0,0,0|2,0,0]=4 23755 B17R2.48 CSc1ccc(cc1)NCc2ccccc2 207a_100000212337_100015611070 [0,2,0,0,0,0|1,0,0]=3 23756 B17R2.48 CSc1ccc(cc1)NCc2ccccc2 270302a_100000212337_100015611070 [0,2,0,0,0,0|1,0,0]=3 23757 B17R2.48 CSc1ccc(cc1)NCc2ccccc2 34a_100000212337_100015291786 [0,2,0,0,0,0|1,0,0]=3 23758 B17R2.48 CSc1ccc(cc1)NCc2ccccc2 62a_200000210301_100000187040 [0,2,0,0,0,0|1,0,0]=3 23759 B17R2.48 CSc1ccc(cc1)NCc2ccccn2 207a_100000212337_100000209966 [0,2,0,0,0,0|2,0,0]=4 23760 B17R2.48 CSc1ccc(cc1)NCc2ccccn2 270302a_100000212337_100000209966 [0,2,0,0,0,0|2,0,0]=4 23761 B17R2.48 CSc1ccc(cc1)NCc2ccccn2 34a_100000212337_100000721315 [0,2,0,0,0,0|2,0,0]=4 23762 B17R2.48 CSc1ccc(cc1)NCc2ccccn2 62a_100000238286_200000210301 [0,2,0,0,0,0|2,0,0]=4 23763 B17R2.48 CSc1ccc(cc1)NCc2ccccn2 62a_200000210301_100000238286 [0,2,0,0,0,0|2,0,0]=4 23764 B17R2.48 CSc1ccc(cc1)NCc2cccnc2 207a_100000212337_100000209961 [0,2,0,0,0,0|0,0,0]=2 23765 B17R2.48 CSc1ccc(cc1)NCc2cccnc2 270302a_100000212337_100000209961 [0,2,0,0,0,0|0,0,0]=2 23766 B17R2.48 CSc1ccc(cc1)NCc2cccnc2 34a_100000212337_100000733263 [0,2,0,0,0,0|0,0,0]=2 23767 B17R2.48 CSc1ccc(cc1)NCc2cccnc2 62a_100000189165_200000210301 [0,2,0,0,0,0|0,0,0]=2 23768 B17R2.48 CSc1ccc(cc1)NCc2cccnc2 62a_200000210301_100000189165 [0,2,0,0,0,0|0,0,0]=2 23769 B17R2.48 CSc1ccc(cc1)NCc2cccnn2 34a_100000212337_100016990269 [0,2,0,0,0,0|1,0,0]=3 23770 B17R2.48 CSc1ccc(cc1)NCc2ccncc2 207a_100000212337_100000186114 [0,2,0,0,0,0|2,0,0]=4 23771 B17R2.48 CSc1ccc(cc1)NCc2ccnnc2 270302a_100000212337_100011934578 [0,2,0,0,0,0|1,0,0]=3 23772 B17R2.48 CSc1ccc(cc1)NCc2cnccn2 34a_100000212337_100016995436 [0,2,0,0,0,0|1,0,0]=3 23773 B17R2.48 CSc1ccc(cc1)NCc2cncnc2 270302a_100000212337_100000749868 [0,2,0,0,0,0|1,0,0]=3 23774 B17R2.48 CSc1ccc(cc1)NCc2cncnc2 34a_100000212337_100015196519 [0,2,0,0,0,0|1,0,0]=3 23775 B17R2.48 CSc1ccc(cc1)OCc2ccccc2 34a_100000211864_100015291786 [0,2,0,0,0,0|2,0,0]=4 23776 B17R2.48 CSc1ccc(cc1)OCc2ccccc2 62a_200000210301_100000151675 [0,2,0,0,0,0|2,0,0]=4 23777 B17R2.48 CSc1ccc(cc1)OCc2cccnc2 34a_100000211864_100000733263 [0,2,0,0,0,0|1,0,0]=3 23778 B17R2.48 CSc1ccc(cc1)OCc2cccnn2 34a_100000211864_100016990269 [0,2,0,0,0,0|2,0,0]=4 23779 B17R2.48 CSc1ccc(cc1)OCc2cnccn2 34a_100000211864_100016995436 [0,2,0,0,0,0|2,0,0]=4 23780 B17R2.48 CSc1ccc(cc1)OCc2cncnc2 34a_100000211864_100015196519 [0,2,0,0,0,0|2,0,0]=4 23781 B17R2.48 CSc1ccc(cc1)SCc2ccccc2 62a_100000211182_100011263217 [0,2,0,0,0,0|2,0,0]=4 23782 B17R2.48 CSc1ccc(cc1)SCc2ccccc2 62a_100009811532_200000210301 [0,2,0,0,0,0|2,0,0]=4 23783 B17R2.48 CSc1ccc(cc1)SCc2ccccc2 62a_100011263217_100015291786 [0,2,0,0,0,0|2,0,0]=4 23784 B17R2.48 CSc1ccc(cc1)SCc2ccccc2 62a_200000210301_100009811532 [0,2,0,0,0,0|2,0,0]=4 23785 B17R2.48 CSc1ccc(cc1)SCc2cccnc2 62a_100000741622_100011263217 [0,2,0,0,0,0|1,0,0]=3 23786 B17R2.48 CSc1ccc(cc1)SCc2cccnc2 62a_100011263217_100000741622 [0,2,0,0,0,0|1,0,0]=3 23787 B17R2.48 CSc1ccc(cc1)SCc2cccnn2 62a_100011263217_100016990269 [0,2,0,0,0,0|2,0,0]=4 23788 B17R2.48 CSc1ccc(cc1)SCc2cccnn2 62a_100016990269_100011263217 [0,2,0,0,0,0|2,0,0]=4 23789 B17R2.48 CSc1ccc(cc1)SCc2cnccn2 62a_100011263217_100016995436 [0,2,0,0,0,0|2,0,0]=4 23790 B17R2.48 CSc1ccc(cc1)SCc2cnccn2 62a_100016995436_100011263217 [0,2,0,0,0,0|2,0,0]=4 23791 B17R2.48 CSc1ccc(cc1)SCc2cncnc2 62a_100011263217_100015196519 [0,2,0,0,0,0|2,0,0]=4 23792 B17R2.48 CSc1ccc(cc1)SCc2cncnc2 62a_100015196519_100011263217 [0,2,0,0,0,0|2,0,0]=4 23793 B17R2.48 CSc1ccc(cn1)C#Cc2ccccc2 271570a_100000069678_100011408404 [0,2,0,0,0,0|1,0,1]=4 23794 B17R2.48 CSc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100011408404 [0,2,0,0,0,0|1,0,1]=4 23795 B17R2.48 CSc1ccc(cn1)OCc2ccccc2 62a_200000210301_200012361712 [0,2,0,0,0,0|2,0,0]=4 23796 B17R2.48 CSc1ccc(cn1)OCc2ccccc2 62a_200012361712_200000210301 [0,2,0,0,0,0|2,0,0]=4 23797 B17R2.48 CSc1ccc(cn1)SCc2ccccc2 62a_100000211182_100011408404 [0,2,0,0,0,0|2,0,0]=4 23798 B17R2.48 CSc1ccc(cn1)SCc2ccccc2 62a_100011408404_100015291786 [0,2,0,0,0,0|2,0,0]=4 23799 B17R2.48 CSc1ccc(cn1)SCc2cccnc2 62a_100000741622_100011408404 [0,2,0,0,0,0|2,0,0]=4 23800 B17R2.48 CSc1ccc(cn1)SCc2cccnc2 62a_100011408404_100000741622 [0,2,0,0,0,0|2,0,0]=4 23801 B17R2.48 CSc1ccc(nc1)NCc2ccccc2 27a_100015324214_100009820866 [0,2,0,0,0,0|2,0,0]=4 23802 B17R2.48 CSc1ccc(nc1)NCc2ccccc2 62a_200000210301_200000239955 [0,2,0,0,0,0|2,0,0]=4 23803 B17R2.48 CSc1ccc(nc1)NCc2ccccc2 62a_200000239955_200000210301 [0,2,0,0,0,0|2,0,0]=4 23804 B17R2.48 CSc1ccc(nc1)NCc2cccnc2 27a_100000210453_100009820866 [0,2,0,0,0,0|1,0,0]=3 23805 B17R2.48 CSc1ccc(nc1)NCc2cccnn2 27a_100159270163_100009820866 [0,2,0,0,0,0|2,0,0]=4 23806 B17R2.48 CSc1ccc(nc1)NCc2cnccn2 27a_100000737960_100009820866 [0,2,0,0,0,0|2,0,0]=4 23807 B17R2.48 CSc1ccc(nc1)NCc2cncnc2 27a_100011243677_100009820866 [0,2,0,0,0,0|2,0,0]=4 23808 B17R2.48 CSc1ccc(nc1)SCc2cccnc2 62a_100000741622_100009820866 [0,2,0,0,0,0|2,0,0]=4 23809 B17R2.48 CSc1ccc(nc1)SCc2cccnc2 62a_100009820866_100000741622 [0,2,0,0,0,0|2,0,0]=4 23810 B17R2.48 CSc1cnc(cn1)NCc2cccnc2 27a_100000210453_200012356277 [0,2,0,0,0,0|2,0,0]=4 23811 B17R2.48 CSc1cnc(nc1)NCc2cccnc2 27a_100000210453_100000718988 [0,2,0,0,0,0|2,0,0]=4 23812 B17R2.48 ClN=C1C=CC(=NNc2ccccc2)C=C1 4a_100015195140_100000088476 [0,2,0,0,0,0|2,0,0]=4 23813 B17R2.48 ClN=C1C=CC(=NNc2cccnc2)C=C1 4a_100000728903_100000088476 [0,2,0,0,0,0|1,0,1]=4 23814 B17R2.48 FCc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100010268989 [0,2,0,0,0,0|1,0,1]=4 23815 B17R2.48 FCc1ccc(cc1)SCc2ccccc2 62a_100000211182_100010268989 [0,2,0,0,0,0|2,0,0]=4 23816 B17R2.48 FCc1ccc(cc1)SCc2ccccc2 62a_100010268989_100015291786 [0,2,0,0,0,0|2,0,0]=4 23817 B17R2.48 FCc1ccc(cc1)SCc2cccnc2 62a_100000741622_100010268989 [0,2,0,0,0,0|1,0,0]=3 23818 B17R2.48 FCc1ccc(cc1)SCc2cccnc2 62a_100010268989_100000741622 [0,2,0,0,0,0|1,0,0]=3 23819 B17R2.48 FCc1ccc(cc1)SCc2cccnn2 62a_100010268989_100016990269 [0,2,0,0,0,0|2,0,0]=4 23820 B17R2.48 FCc1ccc(cc1)SCc2cccnn2 62a_100016990269_100010268989 [0,2,0,0,0,0|2,0,0]=4 23821 B17R2.48 FCc1ccc(cc1)SCc2cnccn2 62a_100010268989_100016995436 [0,2,0,0,0,0|2,0,0]=4 23822 B17R2.48 FCc1ccc(cc1)SCc2cnccn2 62a_100016995436_100010268989 [0,2,0,0,0,0|2,0,0]=4 23823 B17R2.48 FCc1ccc(cc1)SCc2cncnc2 62a_100010268989_100015196519 [0,2,0,0,0,0|2,0,0]=4 23824 B17R2.48 FCc1ccc(cc1)SCc2cncnc2 62a_100015196519_100010268989 [0,2,0,0,0,0|2,0,0]=4 23825 B17R2.48 N#Cc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000179745 [0,2,0,0,0,0|1,0,1]=4 23826 B17R2.48 N#Cc1ccc(cc1)C=Cc2cccnc2 271570a_100102527917_100000752921 [0,2,0,0,0,0|1,0,1]=4 23827 B17R2.48 N#Cc1ccc(cc1)CNc2ccccc2 207a_100000106764_100000211122 [0,2,0,0,0,0|1,0,0]=3 23828 B17R2.48 N#Cc1ccc(cc1)CNc2ccccc2 270302a_100000106764_100000211122 [0,2,0,0,0,0|1,0,0]=3 23829 B17R2.48 N#Cc1ccc(cc1)CNc2ccccc2 34a_100000106764_100000184898 [0,2,0,0,0,0|1,0,0]=3 23830 B17R2.48 N#Cc1ccc(cc1)COc2ccccc2 34a_100000210340_100000184898 [0,2,0,0,0,0|2,0,0]=4 23831 B17R2.48 N#Cc1ccc(cc1)COc2ccccc2 7a_100000210340_100000184898 [0,2,0,0,0,0|2,0,0]=4 23832 B17R2.48 N#Cc1ccc(cc1)COc2cccnc2 34a_100000210849_100000184898 [0,2,0,0,0,0|2,0,0]=4 23833 B17R2.48 N#Cc1ccc(cc1)COc2cccnc2 7a_100000210849_100000184898 [0,2,0,0,0,0|2,0,0]=4 23834 B17R2.48 N#Cc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000184898 [0,2,0,0,0,0|2,0,0]=4 23835 B17R2.48 N#Cc1ccc(cc1)CSc2cccnc2 62a_100000210063_100000184898 [0,2,0,0,0,0|2,0,0]=4 23836 B17R2.48 N#Cc1ccc(cc1)NCc2ccccc2 270302a_100000185469_100015611070 [0,2,0,0,0,0|1,0,0]=3 23837 B17R2.48 N#Cc1ccc(cc1)NCc2ccccc2 34a_100000185469_100015291786 [0,2,0,0,0,0|1,0,0]=3 23838 B17R2.48 N#Cc1ccc(cc1)NCc2ccccn2 270302a_100000185469_100000209966 [0,2,0,0,0,0|2,0,0]=4 23839 B17R2.48 N#Cc1ccc(cc1)NCc2ccccn2 34a_100000185469_100000721315 [0,2,0,0,0,0|2,0,0]=4 23840 B17R2.48 N#Cc1ccc(cc1)NCc2cccnc2 270302a_100000185469_100000209961 [0,2,0,0,0,0|0,0,0]=2 23841 B17R2.48 N#Cc1ccc(cc1)NCc2cccnc2 34a_100000185469_100000733263 [0,2,0,0,0,0|0,0,0]=2 23842 B17R2.48 N#Cc1ccc(cc1)NCc2cccnn2 34a_100000185469_100016990269 [0,2,0,0,0,0|1,0,0]=3 23843 B17R2.48 N#Cc1ccc(cc1)NCc2ccnnc2 270302a_100000185469_100011934578 [0,2,0,0,0,0|1,0,0]=3 23844 B17R2.48 N#Cc1ccc(cc1)NCc2cnccn2 34a_100000185469_100016995436 [0,2,0,0,0,0|1,0,0]=3 23845 B17R2.48 N#Cc1ccc(cc1)NCc2cncnc2 270302a_100000185469_100000749868 [0,2,0,0,0,0|1,0,0]=3 23846 B17R2.48 N#Cc1ccc(cc1)NCc2cncnc2 34a_100000185469_100015196519 [0,2,0,0,0,0|1,0,0]=3 23847 B17R2.48 N#Cc1ccc(cc1)OCc2ccccc2 34a_100000210344_100015291786 [0,2,0,0,0,0|2,0,0]=4 23848 B17R2.48 N#Cc1ccc(cc1)OCc2ccccc2 7a_100000210344_100000211182 [0,2,0,0,0,0|2,0,0]=4 23849 B17R2.48 N#Cc1ccc(cc1)OCc2cccnc2 34a_100000210344_100000733263 [0,2,0,0,0,0|1,0,0]=3 23850 B17R2.48 N#Cc1ccc(cc1)OCc2cccnc2 7a_100000210344_100000741622 [0,2,0,0,0,0|1,0,0]=3 23851 B17R2.48 N#Cc1ccc(cc1)OCc2cccnn2 34a_100000210344_100016990269 [0,2,0,0,0,0|2,0,0]=4 23852 B17R2.48 N#Cc1ccc(cc1)OCc2cccnn2 7a_100000210344_100016990269 [0,2,0,0,0,0|2,0,0]=4 23853 B17R2.48 N#Cc1ccc(cc1)OCc2cnccn2 34a_100000210344_100016995436 [0,2,0,0,0,0|2,0,0]=4 23854 B17R2.48 N#Cc1ccc(cc1)OCc2cnccn2 7a_100000210344_100016995436 [0,2,0,0,0,0|2,0,0]=4 23855 B17R2.48 N#Cc1ccc(cc1)OCc2cncnc2 34a_100000210344_100015196519 [0,2,0,0,0,0|2,0,0]=4 23856 B17R2.48 N#Cc1ccc(cc1)OCc2cncnc2 7a_100000210344_100015196519 [0,2,0,0,0,0|2,0,0]=4 23857 B17R2.48 N#Cc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000184291 [0,2,0,0,0,0|2,0,0]=4 23858 B17R2.48 N#Cc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000184291 [0,2,0,0,0,0|1,0,0]=3 23859 B17R2.48 N#Cc1ccc(cc1)SCc2cccnn2 62a_100016990269_100000184291 [0,2,0,0,0,0|2,0,0]=4 23860 B17R2.48 N#Cc1ccc(cc1)SCc2cnccn2 62a_100016995436_100000184291 [0,2,0,0,0,0|2,0,0]=4 23861 B17R2.48 N#Cc1ccc(cc1)SCc2cncnc2 62a_100015196519_100000184291 [0,2,0,0,0,0|2,0,0]=4 23862 B17R2.48 N#Cc1ccc(cn1)C#Cc2ccccc2 271570a_100000069678_100000760455 [0,2,0,0,0,0|1,0,1]=4 23863 B17R2.48 N#Cc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100000760455 [0,2,0,0,0,0|1,0,1]=4 23864 B17R2.48 N#Cc1ccc(cn1)CNc2ccccc2 270302a_100000106764_100000064383 [0,2,0,0,0,0|0,0,0]=2 23865 B17R2.48 N#Cc1ccc(cn1)CNc2ccccc2 34a_100000106764_100009816919 [0,2,0,0,0,0|0,0,0]=2 23866 B17R2.48 N#Cc1ccc(cn1)COc2ccccc2 34a_100000210340_100009816919 [0,2,0,0,0,0|1,0,0]=3 23867 B17R2.48 N#Cc1ccc(cn1)COc2ccccc2 7a_100000210340_100009816919 [0,2,0,0,0,0|1,0,0]=3 23868 B17R2.48 N#Cc1ccc(cn1)COc2cccnc2 34a_100000210849_100009816919 [0,2,0,0,0,0|2,0,0]=4 23869 B17R2.48 N#Cc1ccc(cn1)COc2cccnc2 7a_100000210849_100009816919 [0,2,0,0,0,0|2,0,0]=4 23870 B17R2.48 N#Cc1ccc(cn1)COc2ccncc2 34a_100000212176_100009816919 [0,2,0,0,0,0|2,0,0]=4 23871 B17R2.48 N#Cc1ccc(cn1)CSc2ccccc2 62a_100000719477_100009816919 [0,2,0,0,0,0|1,0,0]=3 23872 B17R2.48 N#Cc1ccc(cn1)CSc2ccccn2 62a_100011216584_100009816919 [0,2,0,0,0,0|2,0,0]=4 23873 B17R2.48 N#Cc1ccc(cn1)CSc2cccnc2 62a_100000210063_100009816919 [0,2,0,0,0,0|2,0,0]=4 23874 B17R2.48 N#Cc1ccc(cn1)CSc2ccncc2 62a_100000728582_100009816919 [0,2,0,0,0,0|2,0,0]=4 23875 B17R2.48 N#Cc1ccc(cn1)OCc2ccccc2 34a_100011934750_100015291786 [0,2,0,0,0,0|2,0,0]=4 23876 B17R2.48 N#Cc1ccc(cn1)OCc2ccccc2 7a_100011934750_100000211182 [0,2,0,0,0,0|2,0,0]=4 23877 B17R2.48 N#Cc1ccc(cn1)OCc2cccnc2 34a_100011934750_100000733263 [0,2,0,0,0,0|2,0,0]=4 23878 B17R2.48 N#Cc1ccc(cn1)OCc2cccnc2 7a_100011934750_100000741622 [0,2,0,0,0,0|2,0,0]=4 23879 B17R2.48 N#Cc1ccc(cn1)SCc2ccccc2 62a_100000211182_100000760455 [0,2,0,0,0,0|2,0,0]=4 23880 B17R2.48 N#Cc1ccc(cn1)SCc2cccnc2 62a_100000741622_100000760455 [0,2,0,0,0,0|2,0,0]=4 23881 B17R2.48 N#Cc1ccc(nc1)CNc2ccccc2 34a_100000106764_100000693164 [0,2,0,0,0,0|2,0,0]=4 23882 B17R2.48 N#Cc1ccc(nc1)NCc2ccccc2 27a_100015324214_100000241038 [0,2,0,0,0,0|2,0,0]=4 23883 B17R2.48 N#Cc1ccc(nc1)NCc2cccnc2 27a_100000210453_100000241038 [0,2,0,0,0,0|1,0,0]=3 23884 B17R2.48 N#Cc1ccc(nc1)NCc2cccnn2 27a_100159270163_100000241038 [0,2,0,0,0,0|2,0,0]=4 23885 B17R2.48 N#Cc1ccc(nc1)NCc2cnccn2 27a_100000737960_100000241038 [0,2,0,0,0,0|2,0,0]=4 23886 B17R2.48 N#Cc1ccc(nc1)NCc2cncnc2 27a_100011243677_100000241038 [0,2,0,0,0,0|2,0,0]=4 23887 B17R2.48 N#Cc1ccc(nc1)SCc2cccnc2 62a_100000741622_100000241038 [0,2,0,0,0,0|2,0,0]=4 23888 B17R2.48 N#Cc1ccc(nn1)NCc2cccnc2 27a_100000210453_100000094388 [0,2,0,0,0,0|2,0,0]=4 23889 B17R2.48 N#Cc1cnc(cn1)NCc2cccnc2 27a_100000210453_100000059812 [0,2,0,0,0,0|2,0,0]=4 23890 B17R2.48 N#Cc1cnc(nc1)NCc2cccnc2 27a_100000210453_100000099682 [0,2,0,0,0,0|2,0,0]=4 23891 B17R2.48 N#Cc1ncc(cn1)NCc2cccnc2 27a_100000210453_100000079764 [0,2,0,0,0,0|2,0,0]=4 23892 B17R2.48 NCc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100016989417 [0,2,0,0,0,0|1,0,1]=4 23893 B17R2.48 NCc1ccc(cc1)OCc2ccccc2 34a_100000185549_100015291786 [0,2,0,0,0,0|2,0,0]=4 23894 B17R2.48 NCc1ccc(cc1)OCc2cccnc2 34a_100000185549_100000733263 [0,2,0,0,0,0|1,0,0]=3 23895 B17R2.48 NCc1ccc(cc1)OCc2cccnn2 34a_100000185549_100016990269 [0,2,0,0,0,0|2,0,0]=4 23896 B17R2.48 NCc1ccc(cc1)OCc2cnccn2 34a_100000185549_100016995436 [0,2,0,0,0,0|2,0,0]=4 23897 B17R2.48 NCc1ccc(cc1)OCc2cncnc2 34a_100000185549_100015196519 [0,2,0,0,0,0|2,0,0]=4 23898 B17R2.48 NCc1ccc(cc1)SCc2ccccc2 62a_100000211182_100016989417 [0,2,0,0,0,0|2,0,0]=4 23899 B17R2.48 NCc1ccc(cc1)SCc2ccccc2 62a_100016989417_100015291786 [0,2,0,0,0,0|2,0,0]=4 23900 B17R2.48 NCc1ccc(cc1)SCc2cccnc2 62a_100000741622_100016989417 [0,2,0,0,0,0|1,0,0]=3 23901 B17R2.48 NCc1ccc(cc1)SCc2cccnc2 62a_100016989417_100000741622 [0,2,0,0,0,0|1,0,0]=3 23902 B17R2.48 NCc1ccc(cc1)SCc2cccnn2 62a_100016989417_100016990269 [0,2,0,0,0,0|2,0,0]=4 23903 B17R2.48 NCc1ccc(cc1)SCc2cccnn2 62a_100016990269_100016989417 [0,2,0,0,0,0|2,0,0]=4 23904 B17R2.48 NCc1ccc(cc1)SCc2cnccn2 62a_100016989417_100016995436 [0,2,0,0,0,0|2,0,0]=4 23905 B17R2.48 NCc1ccc(cc1)SCc2cnccn2 62a_100016995436_100016989417 [0,2,0,0,0,0|2,0,0]=4 23906 B17R2.48 NCc1ccc(cc1)SCc2cncnc2 62a_100015196519_100016989417 [0,2,0,0,0,0|2,0,0]=4 23907 B17R2.48 NCc1ccc(cc1)SCc2cncnc2 62a_100016989417_100015196519 [0,2,0,0,0,0|2,0,0]=4 23908 B17R2.48 NCc1ccc(cn1)C#Cc2ccccc2 271570a_100000069678_100015188789 [0,2,0,0,0,0|1,0,1]=4 23909 B17R2.48 NCc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100015188789 [0,2,0,0,0,0|1,0,1]=4 23910 B17R2.48 NCc1ccc(cn1)OCc2ccccc2 34a_100020605196_100015291786 [0,2,0,0,0,0|2,0,0]=4 23911 B17R2.48 NCc1ccc(cn1)OCc2cccnc2 34a_100020605196_100000733263 [0,2,0,0,0,0|2,0,0]=4 23912 B17R2.48 NCc1ccc(cn1)SCc2ccccc2 62a_100000211182_100015188789 [0,2,0,0,0,0|2,0,0]=4 23913 B17R2.48 NCc1ccc(cn1)SCc2ccccc2 62a_100015188789_100015291786 [0,2,0,0,0,0|2,0,0]=4 23914 B17R2.48 NCc1ccc(cn1)SCc2cccnc2 62a_100000741622_100015188789 [0,2,0,0,0,0|2,0,0]=4 23915 B17R2.48 NCc1ccc(cn1)SCc2cccnc2 62a_100015188789_100000741622 [0,2,0,0,0,0|2,0,0]=4 23916 B17R2.48 NCc1ccc(nc1)OCc2cccnc2 34a_100000757128_100000733263 [0,2,0,0,0,0|2,0,0]=4 23917 B17R2.48 NCc1ccc(nc1)SCc2cccnc2 62a_100000735879_100000741622 [0,2,0,0,0,0|2,0,0]=4 23918 B17R2.48 NCc1ccc(nc1)SCc2cccnc2 62a_100000741622_100000735879 [0,2,0,0,0,0|2,0,0]=4 23919 B17R2.48 NNc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100016988836 [0,2,0,0,0,0|1,0,1]=4 23920 B17R2.48 NNc1ccc(cc1)SCc2ccccc2 62a_100000211182_100016988836 [0,2,0,0,0,0|2,0,0]=4 23921 B17R2.48 NNc1ccc(cc1)SCc2ccccc2 62a_100016988836_100015291786 [0,2,0,0,0,0|2,0,0]=4 23922 B17R2.48 NNc1ccc(cc1)SCc2cccnc2 62a_100000741622_100016988836 [0,2,0,0,0,0|1,0,0]=3 23923 B17R2.48 NNc1ccc(cc1)SCc2cccnc2 62a_100016988836_100000741622 [0,2,0,0,0,0|1,0,0]=3 23924 B17R2.48 NNc1ccc(cc1)SCc2cccnn2 62a_100016988836_100016990269 [0,2,0,0,0,0|2,0,0]=4 23925 B17R2.48 NNc1ccc(cc1)SCc2cccnn2 62a_100016990269_100016988836 [0,2,0,0,0,0|2,0,0]=4 23926 B17R2.48 NNc1ccc(cc1)SCc2cnccn2 62a_100016988836_100016995436 [0,2,0,0,0,0|2,0,0]=4 23927 B17R2.48 NNc1ccc(cc1)SCc2cnccn2 62a_100016995436_100016988836 [0,2,0,0,0,0|2,0,0]=4 23928 B17R2.48 NNc1ccc(cc1)SCc2cncnc2 62a_100015196519_100016988836 [0,2,0,0,0,0|2,0,0]=4 23929 B17R2.48 NNc1ccc(cc1)SCc2cncnc2 62a_100016988836_100015196519 [0,2,0,0,0,0|2,0,0]=4 23930 B17R2.48 NNc1ccc(cn1)C#Cc2ccccc2 271570a_100000069678_100000750576 [0,2,0,0,0,0|1,0,1]=4 23931 B17R2.48 NNc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100000750576 [0,2,0,0,0,0|1,0,1]=4 23932 B17R2.48 NNc1ccc(cn1)SCc2ccccc2 62a_100000211182_100000750576 [0,2,0,0,0,0|2,0,0]=4 23933 B17R2.48 NNc1ccc(cn1)SCc2ccccc2 62a_100000750576_100015291786 [0,2,0,0,0,0|2,0,0]=4 23934 B17R2.48 NNc1ccc(cn1)SCc2cccnc2 62a_100000741622_100000750576 [0,2,0,0,0,0|2,0,0]=4 23935 B17R2.48 NNc1ccc(cn1)SCc2cccnc2 62a_100000750576_100000741622 [0,2,0,0,0,0|2,0,0]=4 23936 B17R2.48 NNc1ccc(nc1)SCc2cccnc2 62a_100000741622_100000119030 [0,2,0,0,0,0|2,0,0]=4 23937 B17R2.48 NNc1ccc(nc1)SCc2cccnc2 62a_100000755011_100000741622 [0,2,0,0,0,0|2,0,0]=4 23938 B17R2.48 O=Cc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000186029 [0,2,0,0,0,0|1,0,1]=4 23939 B17R2.48 O=Cc1ccc(cc1)CNc2ccccc2 34a_100000106764_100009816848 [0,2,0,0,0,0|1,0,0]=3 23940 B17R2.48 O=Cc1ccc(cc1)COc2ccccc2 34a_100000210340_100009816848 [0,2,0,0,0,0|2,0,0]=4 23941 B17R2.48 O=Cc1ccc(cc1)COc2ccccc2 7a_100000210340_100009816848 [0,2,0,0,0,0|2,0,0]=4 23942 B17R2.48 O=Cc1ccc(cc1)COc2cccnc2 34a_100000210849_100009816848 [0,2,0,0,0,0|2,0,0]=4 23943 B17R2.48 O=Cc1ccc(cc1)COc2cccnc2 7a_100000210849_100009816848 [0,2,0,0,0,0|2,0,0]=4 23944 B17R2.48 O=Cc1ccc(cc1)CSc2ccccc2 62a_100000719477_100009816848 [0,2,0,0,0,0|2,0,0]=4 23945 B17R2.48 O=Cc1ccc(cc1)CSc2ccccc2 62a_100009816848_100000041952 [0,2,0,0,0,0|2,0,0]=4 23946 B17R2.48 O=Cc1ccc(cc1)CSc2cccnc2 62a_100000210063_100009816848 [0,2,0,0,0,0|2,0,0]=4 23947 B17R2.48 O=Cc1ccc(cc1)CSc2cccnc2 62a_100009816848_100000210063 [0,2,0,0,0,0|2,0,0]=4 23948 B17R2.48 O=Cc1ccc(cc1)SCc2ccccc2 62a_100000188517_100015291786 [0,2,0,0,0,0|2,0,0]=4 23949 B17R2.48 O=Cc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000188517 [0,2,0,0,0,0|2,0,0]=4 23950 B17R2.48 O=Cc1ccc(cc1)SCc2cccnc2 62a_100000188517_100000741622 [0,2,0,0,0,0|1,0,0]=3 23951 B17R2.48 O=Cc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000188517 [0,2,0,0,0,0|1,0,0]=3 23952 B17R2.48 O=Cc1ccc(cc1)SCc2cccnn2 62a_100000188517_100016990269 [0,2,0,0,0,0|2,0,0]=4 23953 B17R2.48 O=Cc1ccc(cc1)SCc2cccnn2 62a_100016990269_100000188517 [0,2,0,0,0,0|2,0,0]=4 23954 B17R2.48 O=Cc1ccc(cc1)SCc2cnccn2 62a_100000188517_100016995436 [0,2,0,0,0,0|2,0,0]=4 23955 B17R2.48 O=Cc1ccc(cc1)SCc2cnccn2 62a_100016995436_100000188517 [0,2,0,0,0,0|2,0,0]=4 23956 B17R2.48 O=Cc1ccc(cc1)SCc2cncnc2 62a_100000188517_100015196519 [0,2,0,0,0,0|2,0,0]=4 23957 B17R2.48 O=Cc1ccc(cc1)SCc2cncnc2 62a_100015196519_100000188517 [0,2,0,0,0,0|2,0,0]=4 23958 B17R2.48 O=Cc1ccc(cn1)C#Cc2ccccc2 271570a_100000069678_100000754260 [0,2,0,0,0,0|1,0,1]=4 23959 B17R2.48 O=Cc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100000754260 [0,2,0,0,0,0|1,0,1]=4 23960 B17R2.48 O=Cc1ccc(cn1)SCc2ccccc2 62a_100000211182_100000754260 [0,2,0,0,0,0|2,0,0]=4 23961 B17R2.48 O=Cc1ccc(cn1)SCc2ccccc2 62a_100000754260_100015291786 [0,2,0,0,0,0|2,0,0]=4 23962 B17R2.48 O=Cc1ccc(cn1)SCc2cccnc2 62a_100000741622_100000754260 [0,2,0,0,0,0|2,0,0]=4 23963 B17R2.48 O=Cc1ccc(cn1)SCc2cccnc2 62a_100000754260_100000741622 [0,2,0,0,0,0|2,0,0]=4 23964 B17R2.48 O=Cc1ccc(nc1)SCc2cccnc2 62a_100000741622_100000766901 [0,2,0,0,0,0|2,0,0]=4 23965 B17R2.48 O=Cc1ccc(nc1)SCc2cccnc2 62a_100000766901_100000741622 [0,2,0,0,0,0|2,0,0]=4 23966 B17R2.48 O=Cc1cnc(cn1)NCc2cccnc2 27a_100000210453_100012001714 [0,2,0,0,0,0|2,0,0]=4 23967 B17R2.48 O=Cc1cnc(nc1)NCc2cccnc2 27a_100000210453_100000070856 [0,2,0,0,0,0|2,0,0]=4 23968 B17R2.48 OCc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000690907 [0,2,0,0,0,0|1,0,1]=4 23969 B17R2.48 OCc1ccc(cc1)CNc2ccccc2 207a_100000106764_100009832023 [0,2,0,0,0,0|1,0,0]=3 23970 B17R2.48 OCc1ccc(cc1)CNc2ccccc2 270302a_100000106764_100009832023 [0,2,0,0,0,0|1,0,0]=3 23971 B17R2.48 OCc1ccc(cc1)CNc2ccccc2 34a_100000106764_100000067286 [0,2,0,0,0,0|1,0,0]=3 23972 B17R2.48 OCc1ccc(cc1)COc2ccccc2 34a_100000210340_100000067286 [0,2,0,0,0,0|2,0,0]=4 23973 B17R2.48 OCc1ccc(cc1)COc2ccccc2 7a_100000210340_100000067286 [0,2,0,0,0,0|2,0,0]=4 23974 B17R2.48 OCc1ccc(cc1)COc2cccnc2 34a_100000210849_100000067286 [0,2,0,0,0,0|2,0,0]=4 23975 B17R2.48 OCc1ccc(cc1)COc2cccnc2 7a_100000210849_100000067286 [0,2,0,0,0,0|2,0,0]=4 23976 B17R2.48 OCc1ccc(cc1)CSc2ccccc2 62a_100000067286_100000041952 [0,2,0,0,0,0|2,0,0]=4 23977 B17R2.48 OCc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000067286 [0,2,0,0,0,0|2,0,0]=4 23978 B17R2.48 OCc1ccc(cc1)CSc2cccnc2 62a_100000067286_100000210063 [0,2,0,0,0,0|2,0,0]=4 23979 B17R2.48 OCc1ccc(cc1)CSc2cccnc2 62a_100000210063_100000067286 [0,2,0,0,0,0|2,0,0]=4 23980 B17R2.48 OCc1ccc(cc1)NCc2ccccc2 2230a_100011215238_100015291786 [0,2,0,0,0,0|1,0,0]=3 23981 B17R2.48 OCc1ccc(cc1)NCc2ccccc2 270302a_100011215238_100015611070 [0,2,0,0,0,0|1,0,0]=3 23982 B17R2.48 OCc1ccc(cc1)NCc2ccccc2 34a_100011215238_100015291786 [0,2,0,0,0,0|1,0,0]=3 23983 B17R2.48 OCc1ccc(cc1)NCc2ccccn2 2230a_100011215238_100000721315 [0,2,0,0,0,0|2,0,0]=4 23984 B17R2.48 OCc1ccc(cc1)NCc2ccccn2 270302a_100011215238_100000209966 [0,2,0,0,0,0|2,0,0]=4 23985 B17R2.48 OCc1ccc(cc1)NCc2ccccn2 34a_100011215238_100000721315 [0,2,0,0,0,0|2,0,0]=4 23986 B17R2.48 OCc1ccc(cc1)NCc2cccnc2 2230a_100011215238_100000741622 [0,2,0,0,0,0|0,0,0]=2 23987 B17R2.48 OCc1ccc(cc1)NCc2cccnc2 270302a_100011215238_100000209961 [0,2,0,0,0,0|0,0,0]=2 23988 B17R2.48 OCc1ccc(cc1)NCc2cccnc2 34a_100011215238_100000733263 [0,2,0,0,0,0|0,0,0]=2 23989 B17R2.48 OCc1ccc(cc1)NCc2cccnn2 2230a_100011215238_100016990269 [0,2,0,0,0,0|1,0,0]=3 23990 B17R2.48 OCc1ccc(cc1)NCc2cccnn2 34a_100011215238_100016990269 [0,2,0,0,0,0|1,0,0]=3 23991 B17R2.48 OCc1ccc(cc1)NCc2ccncc2 2230a_100011215238_100015193705 [0,2,0,0,0,0|2,0,0]=4 23992 B17R2.48 OCc1ccc(cc1)NCc2ccnnc2 270302a_100011215238_100011934578 [0,2,0,0,0,0|1,0,0]=3 23993 B17R2.48 OCc1ccc(cc1)NCc2cnccn2 2230a_100011215238_100016995436 [0,2,0,0,0,0|1,0,0]=3 23994 B17R2.48 OCc1ccc(cc1)NCc2cnccn2 34a_100011215238_100016995436 [0,2,0,0,0,0|1,0,0]=3 23995 B17R2.48 OCc1ccc(cc1)NCc2cncnc2 2230a_100011215238_100015196519 [0,2,0,0,0,0|1,0,0]=3 23996 B17R2.48 OCc1ccc(cc1)NCc2cncnc2 270302a_100011215238_100000749868 [0,2,0,0,0,0|1,0,0]=3 23997 B17R2.48 OCc1ccc(cc1)NCc2cncnc2 34a_100011215238_100015196519 [0,2,0,0,0,0|1,0,0]=3 23998 B17R2.48 OCc1ccc(cc1)OCc2ccccc2 34a_100000211755_100015291786 [0,2,0,0,0,0|2,0,0]=4 23999 B17R2.48 OCc1ccc(cc1)OCc2cccnc2 34a_100000211755_100000733263 [0,2,0,0,0,0|1,0,0]=3 24000 B17R2.48 OCc1ccc(cc1)OCc2cccnn2 34a_100000211755_100016990269 [0,2,0,0,0,0|2,0,0]=4 24001 B17R2.48 OCc1ccc(cc1)OCc2cnccn2 34a_100000211755_100016995436 [0,2,0,0,0,0|2,0,0]=4 24002 B17R2.48 OCc1ccc(cc1)OCc2cncnc2 34a_100000211755_100015196519 [0,2,0,0,0,0|2,0,0]=4 24003 B17R2.48 OCc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000690907 [0,2,0,0,0,0|2,0,0]=4 24004 B17R2.48 OCc1ccc(cc1)SCc2ccccc2 62a_100000690907_100015291786 [0,2,0,0,0,0|2,0,0]=4 24005 B17R2.48 OCc1ccc(cc1)SCc2cccnc2 62a_100000690907_100000741622 [0,2,0,0,0,0|1,0,0]=3 24006 B17R2.48 OCc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000690907 [0,2,0,0,0,0|1,0,0]=3 24007 B17R2.48 OCc1ccc(cc1)SCc2cccnn2 62a_100000690907_100016990269 [0,2,0,0,0,0|2,0,0]=4 24008 B17R2.48 OCc1ccc(cc1)SCc2cccnn2 62a_100016990269_100000690907 [0,2,0,0,0,0|2,0,0]=4 24009 B17R2.48 OCc1ccc(cc1)SCc2cnccn2 62a_100000690907_100016995436 [0,2,0,0,0,0|2,0,0]=4 24010 B17R2.48 OCc1ccc(cc1)SCc2cnccn2 62a_100016995436_100000690907 [0,2,0,0,0,0|2,0,0]=4 24011 B17R2.48 OCc1ccc(cc1)SCc2cncnc2 62a_100000690907_100015196519 [0,2,0,0,0,0|2,0,0]=4 24012 B17R2.48 OCc1ccc(cc1)SCc2cncnc2 62a_100015196519_100000690907 [0,2,0,0,0,0|2,0,0]=4 24013 B17R2.48 OCc1ccc(cn1)C#Cc2ccccc2 271570a_100000069678_100000754261 [0,2,0,0,0,0|1,0,1]=4 24014 B17R2.48 OCc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100000754261 [0,2,0,0,0,0|1,0,1]=4 24015 B17R2.48 OCc1ccc(cn1)OCc2ccccc2 34a_103436540053_100015291786 [0,2,0,0,0,0|2,0,0]=4 24016 B17R2.48 OCc1ccc(cn1)OCc2cccnc2 34a_103436540053_100000733263 [0,2,0,0,0,0|2,0,0]=4 24017 B17R2.48 OCc1ccc(cn1)SCc2ccccc2 62a_100000211182_100000754261 [0,2,0,0,0,0|2,0,0]=4 24018 B17R2.48 OCc1ccc(cn1)SCc2ccccc2 62a_100000754261_100015291786 [0,2,0,0,0,0|2,0,0]=4 24019 B17R2.48 OCc1ccc(cn1)SCc2cccnc2 62a_100000741622_100000754261 [0,2,0,0,0,0|2,0,0]=4 24020 B17R2.48 OCc1ccc(cn1)SCc2cccnc2 62a_100000754261_100000741622 [0,2,0,0,0,0|2,0,0]=4 24021 B17R2.48 OCc1ccc(nc1)SCc2cccnc2 62a_100000741622_100009816760 [0,2,0,0,0,0|2,0,0]=4 24022 B17R2.48 OCc1ccc(nc1)SCc2cccnc2 62a_100009816760_100000741622 [0,2,0,0,0,0|2,0,0]=4 24023 B17R2.48 OCc1cnc(cn1)NCc2cccnc2 27a_100000210453_100012002382 [0,2,0,0,0,0|2,0,0]=4 24024 B17R2.48 OCc1cnc(nc1)NCc2cccnc2 27a_100000210453_100009855073 [0,2,0,0,0,0|2,0,0]=4 24025 B17R2.48 ON=C1C=CC(=NNc2ccccc2)C=C1 4a_100015195140_200000095120 [0,2,0,0,0,0|2,0,0]=4 24026 B17R2.48 ON=C1C=CC(=NNc2cccnc2)C=C1 4a_100000728903_200000095120 [0,2,0,0,0,0|1,0,1]=4 24027 B17R2.48 [13CH3]Nc1ccc(cc1)CCc2ccccc2 2230a_100103152855_200025704644 [0,2,0,0,0,0|2,0,0]=4 24028 B17R2.48 [13CH3]Nc1ccc(cc1)CCc2ccccc2 34a_100103152855_200025704644 [0,2,0,0,0,0|2,0,0]=4 24029 B17R2.48 [13CH3]Nc1ccc(cc1)CCc2ccccc2 7a_100103152855_200025704644 [0,2,0,0,0,0|2,0,0]=4 24030 B17R2.48 [13CH3]Nc1ccc(cc1)OCc2ccccc2 34a_100000715749_200025704644 [0,2,0,0,0,0|2,0,0]=4 24031 B17R2.48 [13CH3]Nc1ccc(cc1)OCc2cccnc2 34a_100000751746_200025704644 [0,2,0,0,0,0|1,0,0]=3 24032 B17R2.48 [13CH3]Oc1ccc(cc1)NCc2ccccc2 34a_200000188756_200025704644 [0,2,0,0,0,0|1,0,0]=3 24033 B17R2.48 [13CH3]Oc1ccc(cc1)OCc2ccccc2 34a_100000211210_200025704644 [0,2,0,0,0,0|2,0,0]=4 24034 B17R2.48 [13CH3]Oc1ccc(cc1)OCc2ccccc2 7a_100000211210_200025704644 [0,2,0,0,0,0|2,0,0]=4 24035 B17R2.48 [13CH3]Sc1ccc(cc1)NCc2ccccc2 62a_200025704644_100000187040 [0,2,0,0,0,0|1,0,0]=3 24036 B17R2.48 [13CH3]Sc1ccc(cc1)NCc2ccccn2 62a_100000238286_200025704644 [0,2,0,0,0,0|2,0,0]=4 24037 B17R2.48 [13CH3]Sc1ccc(cc1)NCc2ccccn2 62a_200025704644_100000238286 [0,2,0,0,0,0|2,0,0]=4 24038 B17R2.48 [13CH3]Sc1ccc(cc1)NCc2cccnc2 62a_100000189165_200025704644 [0,2,0,0,0,0|0,0,0]=2 24039 B17R2.48 [13CH3]Sc1ccc(cc1)NCc2cccnc2 62a_200025704644_100000189165 [0,2,0,0,0,0|0,0,0]=2 24040 B17R2.48 [13CH3]Sc1ccc(cc1)OCc2ccccc2 62a_200025704644_100000151675 [0,2,0,0,0,0|2,0,0]=4 24041 B17R2.48 [13CH3]Sc1ccc(cc1)SCc2ccccc2 62a_100009811532_200025704644 [0,2,0,0,0,0|2,0,0]=4 24042 B17R2.48 [13CH3]Sc1ccc(cc1)SCc2ccccc2 62a_200025704644_100009811532 [0,2,0,0,0,0|2,0,0]=4 24043 B17R2.48 [13CH3]Sc1ccc(cn1)OCc2ccccc2 62a_200012361712_200025704644 [0,2,0,0,0,0|2,0,0]=4 24044 B17R2.48 [13CH3]Sc1ccc(cn1)OCc2ccccc2 62a_200025704644_200012361712 [0,2,0,0,0,0|2,0,0]=4 24045 B17R2.48 [13CH3]Sc1ccc(nc1)NCc2ccccc2 62a_200000239955_200025704644 [0,2,0,0,0,0|2,0,0]=4 24046 B17R2.48 [13CH3]Sc1ccc(nc1)NCc2ccccc2 62a_200025704644_200000239955 [0,2,0,0,0,0|2,0,0]=4 24047 B17R2.193 Brc1cc(ccc1I)NCc2ccccc2 207a_100000750458_100015611070 [0,2,0,0,0,0|1,0,0]=3 24048 B17R2.193 Brc1cc(ccc1I)NCc2ccccc2 270302a_100000750458_100015611070 [0,2,0,0,0,0|1,0,0]=3 24049 B17R2.193 Brc1cc(ccc1I)NCc2ccccc2 34a_100000750458_100015291786 [0,2,0,0,0,0|1,0,0]=3 24050 B17R2.193 Brc1cc(ccc1I)NCc2ccccn2 207a_100000750458_100000209966 [0,2,0,0,0,0|2,0,0]=4 24051 B17R2.193 Brc1cc(ccc1I)NCc2ccccn2 270302a_100000750458_100000209966 [0,2,0,0,0,0|2,0,0]=4 24052 B17R2.193 Brc1cc(ccc1I)NCc2ccccn2 34a_100000750458_100000721315 [0,2,0,0,0,0|2,0,0]=4 24053 B17R2.193 Brc1cc(ccc1I)NCc2cccnc2 207a_100000750458_100000209961 [0,2,0,0,0,0|0,0,0]=2 24054 B17R2.193 Brc1cc(ccc1I)NCc2cccnc2 270302a_100000750458_100000209961 [0,2,0,0,0,0|0,0,0]=2 24055 B17R2.193 Brc1cc(ccc1I)NCc2cccnc2 34a_100000750458_100000733263 [0,2,0,0,0,0|0,0,0]=2 24056 B17R2.193 Brc1cc(ccc1I)NCc2cccnn2 34a_100000750458_100016990269 [0,2,0,0,0,0|1,0,0]=3 24057 B17R2.193 Brc1cc(ccc1I)NCc2ccncc2 207a_100000750458_100000186114 [0,2,0,0,0,0|2,0,0]=4 24058 B17R2.193 Brc1cc(ccc1I)NCc2ccnnc2 270302a_100000750458_100011934578 [0,2,0,0,0,0|1,0,0]=3 24059 B17R2.193 Brc1cc(ccc1I)NCc2cnccn2 34a_100000750458_100016995436 [0,2,0,0,0,0|1,0,0]=3 24060 B17R2.193 Brc1cc(ccc1I)NCc2cncnc2 270302a_100000750458_100000749868 [0,2,0,0,0,0|1,0,0]=3 24061 B17R2.193 Brc1cc(ccc1I)NCc2cncnc2 34a_100000750458_100015196519 [0,2,0,0,0,0|1,0,0]=3 24062 B17R2.193 Brc1cc(ccc1I)OCc2ccccc2 34a_100000701344_100015291786 [0,2,0,0,0,0|2,0,0]=4 24063 B17R2.193 Brc1cc(ccc1I)OCc2ccccc2 7a_100000701344_100000211182 [0,2,0,0,0,0|2,0,0]=4 24064 B17R2.193 Brc1cc(ccc1I)OCc2cccnc2 34a_100000701344_100000733263 [0,2,0,0,0,0|1,0,0]=3 24065 B17R2.193 Brc1cc(ccc1I)OCc2cccnc2 7a_100000701344_100000741622 [0,2,0,0,0,0|1,0,0]=3 24066 B17R2.193 Brc1cc(ccc1I)OCc2cccnn2 34a_100000701344_100016990269 [0,2,0,0,0,0|2,0,0]=4 24067 B17R2.193 Brc1cc(ccc1I)OCc2cccnn2 7a_100000701344_100016990269 [0,2,0,0,0,0|2,0,0]=4 24068 B17R2.193 Brc1cc(ccc1I)OCc2cnccn2 34a_100000701344_100016995436 [0,2,0,0,0,0|2,0,0]=4 24069 B17R2.193 Brc1cc(ccc1I)OCc2cnccn2 7a_100000701344_100016995436 [0,2,0,0,0,0|2,0,0]=4 24070 B17R2.193 Brc1cc(ccc1I)OCc2cncnc2 34a_100000701344_100015196519 [0,2,0,0,0,0|2,0,0]=4 24071 B17R2.193 Brc1cc(ccc1I)OCc2cncnc2 7a_100000701344_100015196519 [0,2,0,0,0,0|2,0,0]=4 24072 B17R2.193 Brc1ccc(cc1Br)C=Cc2cccnc2 271570a_100102525586_100012356285 [0,2,0,0,0,0|1,0,1]=4 24073 B17R2.193 Brc1ccc(cc1Br)CNc2ccccc2 207a_100000106764_100011215943 [0,2,0,0,0,0|1,0,0]=3 24074 B17R2.193 Brc1ccc(cc1Br)CNc2ccccc2 270302a_100000106764_100011215943 [0,2,0,0,0,0|1,0,0]=3 24075 B17R2.193 Brc1ccc(cc1Br)CNc2ccccc2 34a_100000106764_100012353900 [0,2,0,0,0,0|1,0,0]=3 24076 B17R2.193 Brc1ccc(cc1Br)COc2ccccc2 34a_100000210340_100012353900 [0,2,0,0,0,0|2,0,0]=4 24077 B17R2.193 Brc1ccc(cc1Br)COc2ccccc2 7a_100000210340_100012353900 [0,2,0,0,0,0|2,0,0]=4 24078 B17R2.193 Brc1ccc(cc1Br)COc2cccnc2 34a_100000210849_100012353900 [0,2,0,0,0,0|2,0,0]=4 24079 B17R2.193 Brc1ccc(cc1Br)COc2cccnc2 7a_100000210849_100012353900 [0,2,0,0,0,0|2,0,0]=4 24080 B17R2.193 Brc1ccc(cc1Br)CSc2ccccc2 62a_100000719477_100012353900 [0,2,0,0,0,0|2,0,0]=4 24081 B17R2.193 Brc1ccc(cc1Br)CSc2ccccc2 62a_100012353900_100000041952 [0,2,0,0,0,0|2,0,0]=4 24082 B17R2.193 Brc1ccc(cc1Br)CSc2cccnc2 62a_100000210063_100012353900 [0,2,0,0,0,0|2,0,0]=4 24083 B17R2.193 Brc1ccc(cc1Br)CSc2cccnc2 62a_100012353900_100000210063 [0,2,0,0,0,0|2,0,0]=4 24084 B17R2.193 Brc1ccc(cc1Br)NCc2ccccc2 207a_100011306057_100015611070 [0,2,0,0,0,0|1,0,0]=3 24085 B17R2.193 Brc1ccc(cc1Br)NCc2ccccc2 2230a_100011306057_100015291786 [0,2,0,0,0,0|1,0,0]=3 24086 B17R2.193 Brc1ccc(cc1Br)NCc2ccccc2 270302a_100011306057_100015611070 [0,2,0,0,0,0|1,0,0]=3 24087 B17R2.193 Brc1ccc(cc1Br)NCc2ccccc2 34a_100011306057_100015291786 [0,2,0,0,0,0|1,0,0]=3 24088 B17R2.193 Brc1ccc(cc1Br)NCc2ccccc2 7a_100011306057_100000211182 [0,2,0,0,0,0|1,0,0]=3 24089 B17R2.193 Brc1ccc(cc1Br)NCc2ccccn2 207a_100011306057_100000209966 [0,2,0,0,0,0|2,0,0]=4 24090 B17R2.193 Brc1ccc(cc1Br)NCc2ccccn2 2230a_100011306057_100000721315 [0,2,0,0,0,0|2,0,0]=4 24091 B17R2.193 Brc1ccc(cc1Br)NCc2ccccn2 270302a_100011306057_100000209966 [0,2,0,0,0,0|2,0,0]=4 24092 B17R2.193 Brc1ccc(cc1Br)NCc2ccccn2 34a_100011306057_100000721315 [0,2,0,0,0,0|2,0,0]=4 24093 B17R2.193 Brc1ccc(cc1Br)NCc2ccccn2 7a_100011306057_100000721315 [0,2,0,0,0,0|2,0,0]=4 24094 B17R2.193 Brc1ccc(cc1Br)NCc2cccnc2 207a_100011306057_100000209961 [0,2,0,0,0,0|0,0,0]=2 24095 B17R2.193 Brc1ccc(cc1Br)NCc2cccnc2 2230a_100011306057_100000741622 [0,2,0,0,0,0|0,0,0]=2 24096 B17R2.193 Brc1ccc(cc1Br)NCc2cccnc2 270302a_100011306057_100000209961 [0,2,0,0,0,0|0,0,0]=2 24097 B17R2.193 Brc1ccc(cc1Br)NCc2cccnc2 34a_100011306057_100000733263 [0,2,0,0,0,0|0,0,0]=2 24098 B17R2.193 Brc1ccc(cc1Br)NCc2cccnc2 7a_100011306057_100000741622 [0,2,0,0,0,0|0,0,0]=2 24099 B17R2.193 Brc1ccc(cc1Br)NCc2cccnn2 2230a_100011306057_100016990269 [0,2,0,0,0,0|1,0,0]=3 24100 B17R2.193 Brc1ccc(cc1Br)NCc2cccnn2 34a_100011306057_100016990269 [0,2,0,0,0,0|1,0,0]=3 24101 B17R2.193 Brc1ccc(cc1Br)NCc2cccnn2 7a_100011306057_100016990269 [0,2,0,0,0,0|1,0,0]=3 24102 B17R2.193 Brc1ccc(cc1Br)NCc2ccncc2 207a_100011306057_100000186114 [0,2,0,0,0,0|2,0,0]=4 24103 B17R2.193 Brc1ccc(cc1Br)NCc2ccncc2 2230a_100011306057_100015193705 [0,2,0,0,0,0|2,0,0]=4 24104 B17R2.193 Brc1ccc(cc1Br)NCc2ccncc2 7a_100011306057_100015193705 [0,2,0,0,0,0|2,0,0]=4 24105 B17R2.193 Brc1ccc(cc1Br)NCc2ccnnc2 270302a_100011306057_100011934578 [0,2,0,0,0,0|1,0,0]=3 24106 B17R2.193 Brc1ccc(cc1Br)NCc2cnccn2 2230a_100011306057_100016995436 [0,2,0,0,0,0|1,0,0]=3 24107 B17R2.193 Brc1ccc(cc1Br)NCc2cnccn2 34a_100011306057_100016995436 [0,2,0,0,0,0|1,0,0]=3 24108 B17R2.193 Brc1ccc(cc1Br)NCc2cnccn2 7a_100011306057_100016995436 [0,2,0,0,0,0|1,0,0]=3 24109 B17R2.193 Brc1ccc(cc1Br)NCc2cncnc2 2230a_100011306057_100015196519 [0,2,0,0,0,0|1,0,0]=3 24110 B17R2.193 Brc1ccc(cc1Br)NCc2cncnc2 270302a_100011306057_100000749868 [0,2,0,0,0,0|1,0,0]=3 24111 B17R2.193 Brc1ccc(cc1Br)NCc2cncnc2 34a_100011306057_100015196519 [0,2,0,0,0,0|1,0,0]=3 24112 B17R2.193 Brc1ccc(cc1Br)NCc2cncnc2 7a_100011306057_100015196519 [0,2,0,0,0,0|1,0,0]=3 24113 B17R2.193 Brc1ccc(cc1Br)SCc2ccccc2 62a_100000211182_100012356285 [0,2,0,0,0,0|2,0,0]=4 24114 B17R2.193 Brc1ccc(cc1Br)SCc2ccccc2 62a_100012356285_100015291786 [0,2,0,0,0,0|2,0,0]=4 24115 B17R2.193 Brc1ccc(cc1Br)SCc2cccnc2 62a_100000741622_100012356285 [0,2,0,0,0,0|1,0,0]=3 24116 B17R2.193 Brc1ccc(cc1Br)SCc2cccnc2 62a_100012356285_100000741622 [0,2,0,0,0,0|1,0,0]=3 24117 B17R2.193 Brc1ccc(cc1Br)SCc2cccnn2 62a_100012356285_100016990269 [0,2,0,0,0,0|2,0,0]=4 24118 B17R2.193 Brc1ccc(cc1Br)SCc2cccnn2 62a_100016990269_100012356285 [0,2,0,0,0,0|2,0,0]=4 24119 B17R2.193 Brc1ccc(cc1Br)SCc2cnccn2 62a_100012356285_100016995436 [0,2,0,0,0,0|2,0,0]=4 24120 B17R2.193 Brc1ccc(cc1Br)SCc2cnccn2 62a_100016995436_100012356285 [0,2,0,0,0,0|2,0,0]=4 24121 B17R2.193 Brc1ccc(cc1Br)SCc2cncnc2 62a_100012356285_100015196519 [0,2,0,0,0,0|2,0,0]=4 24122 B17R2.193 Brc1ccc(cc1Br)SCc2cncnc2 62a_100015196519_100012356285 [0,2,0,0,0,0|2,0,0]=4 24123 B17R2.193 Brc1ccc(cc1I)CNc2ccccc2 207a_100000106764_100010146563 [0,2,0,0,0,0|1,0,0]=3 24124 B17R2.193 Brc1ccc(cc1I)CNc2ccccc2 34a_100000106764_100010146616 [0,2,0,0,0,0|1,0,0]=3 24125 B17R2.193 Brc1ccc(cc1I)COc2ccccc2 34a_100000210340_100010146616 [0,2,0,0,0,0|2,0,0]=4 24126 B17R2.193 Brc1ccc(cc1I)COc2ccccc2 7a_100000210340_100010146616 [0,2,0,0,0,0|2,0,0]=4 24127 B17R2.193 Brc1ccc(cc1I)COc2cccnc2 34a_100000210849_100010146616 [0,2,0,0,0,0|2,0,0]=4 24128 B17R2.193 Brc1ccc(cc1I)COc2cccnc2 7a_100000210849_100010146616 [0,2,0,0,0,0|2,0,0]=4 24129 B17R2.193 Brc1ccc(cc1I)CSc2ccccc2 62a_100000719477_100010146616 [0,2,0,0,0,0|2,0,0]=4 24130 B17R2.193 Brc1ccc(cc1I)CSc2ccccc2 62a_100010146616_100000041952 [0,2,0,0,0,0|2,0,0]=4 24131 B17R2.193 Brc1ccc(cc1I)CSc2cccnc2 62a_100000210063_100010146616 [0,2,0,0,0,0|2,0,0]=4 24132 B17R2.193 Brc1ccc(cc1I)CSc2cccnc2 62a_100010146616_100000210063 [0,2,0,0,0,0|2,0,0]=4 24133 B17R2.193 Brc1ccc(cc1I)NCc2ccccc2 207a_100000750459_100015611070 [0,2,0,0,0,0|1,0,0]=3 24134 B17R2.193 Brc1ccc(cc1I)NCc2ccccc2 270302a_100000750459_100015611070 [0,2,0,0,0,0|1,0,0]=3 24135 B17R2.193 Brc1ccc(cc1I)NCc2ccccc2 34a_100000750459_100015291786 [0,2,0,0,0,0|1,0,0]=3 24136 B17R2.193 Brc1ccc(cc1I)NCc2ccccn2 207a_100000750459_100000209966 [0,2,0,0,0,0|2,0,0]=4 24137 B17R2.193 Brc1ccc(cc1I)NCc2ccccn2 270302a_100000750459_100000209966 [0,2,0,0,0,0|2,0,0]=4 24138 B17R2.193 Brc1ccc(cc1I)NCc2ccccn2 34a_100000750459_100000721315 [0,2,0,0,0,0|2,0,0]=4 24139 B17R2.193 Brc1ccc(cc1I)NCc2cccnc2 207a_100000750459_100000209961 [0,2,0,0,0,0|0,0,0]=2 24140 B17R2.193 Brc1ccc(cc1I)NCc2cccnc2 270302a_100000750459_100000209961 [0,2,0,0,0,0|0,0,0]=2 24141 B17R2.193 Brc1ccc(cc1I)NCc2cccnc2 34a_100000750459_100000733263 [0,2,0,0,0,0|0,0,0]=2 24142 B17R2.193 Brc1ccc(cc1I)NCc2cccnn2 34a_100000750459_100016990269 [0,2,0,0,0,0|1,0,0]=3 24143 B17R2.193 Brc1ccc(cc1I)NCc2ccncc2 207a_100000750459_100000186114 [0,2,0,0,0,0|2,0,0]=4 24144 B17R2.193 Brc1ccc(cc1I)NCc2ccnnc2 270302a_100000750459_100011934578 [0,2,0,0,0,0|1,0,0]=3 24145 B17R2.193 Brc1ccc(cc1I)NCc2cnccn2 34a_100000750459_100016995436 [0,2,0,0,0,0|1,0,0]=3 24146 B17R2.193 Brc1ccc(cc1I)NCc2cncnc2 270302a_100000750459_100000749868 [0,2,0,0,0,0|1,0,0]=3 24147 B17R2.193 Brc1ccc(cc1I)NCc2cncnc2 34a_100000750459_100015196519 [0,2,0,0,0,0|1,0,0]=3 24148 B17R2.193 Brc1ccc(cc1I)OCc2ccccc2 34a_100012339312_100015291786 [0,2,0,0,0,0|2,0,0]=4 24149 B17R2.193 Brc1ccc(cc1I)OCc2ccccc2 7a_100012339312_100000211182 [0,2,0,0,0,0|2,0,0]=4 24150 B17R2.193 Brc1ccc(cc1I)OCc2cccnc2 34a_100012339312_100000733263 [0,2,0,0,0,0|1,0,0]=3 24151 B17R2.193 Brc1ccc(cc1I)OCc2cccnc2 7a_100012339312_100000741622 [0,2,0,0,0,0|1,0,0]=3 24152 B17R2.193 Brc1ccc(cc1I)OCc2cccnn2 34a_100012339312_100016990269 [0,2,0,0,0,0|2,0,0]=4 24153 B17R2.193 Brc1ccc(cc1I)OCc2cccnn2 7a_100012339312_100016990269 [0,2,0,0,0,0|2,0,0]=4 24154 B17R2.193 Brc1ccc(cc1I)OCc2cnccn2 34a_100012339312_100016995436 [0,2,0,0,0,0|2,0,0]=4 24155 B17R2.193 Brc1ccc(cc1I)OCc2cnccn2 7a_100012339312_100016995436 [0,2,0,0,0,0|2,0,0]=4 24156 B17R2.193 Brc1ccc(cc1I)OCc2cncnc2 34a_100012339312_100015196519 [0,2,0,0,0,0|2,0,0]=4 24157 B17R2.193 Brc1ccc(cc1I)OCc2cncnc2 7a_100012339312_100015196519 [0,2,0,0,0,0|2,0,0]=4 24158 B17R2.193 Cc1cc(ccc1Br)C=Cc2cccnc2 271570a_100102525586_100009813585 [0,2,0,0,0,0|1,0,1]=4 24159 B17R2.193 Cc1cc(ccc1Br)CNc2ccccc2 207a_100000106764_100000765772 [0,2,0,0,0,0|1,0,0]=3 24160 B17R2.193 Cc1cc(ccc1Br)CNc2ccccc2 270302a_100000106764_100000765772 [0,2,0,0,0,0|1,0,0]=3 24161 B17R2.193 Cc1cc(ccc1Br)CNc2ccccc2 34a_100000106764_100000727479 [0,2,0,0,0,0|1,0,0]=3 24162 B17R2.193 Cc1cc(ccc1Br)COc2ccccc2 34a_100000210340_100000727479 [0,2,0,0,0,0|2,0,0]=4 24163 B17R2.193 Cc1cc(ccc1Br)COc2ccccc2 7a_100000210340_100000727479 [0,2,0,0,0,0|2,0,0]=4 24164 B17R2.193 Cc1cc(ccc1Br)COc2cccnc2 34a_100000210849_100000727479 [0,2,0,0,0,0|2,0,0]=4 24165 B17R2.193 Cc1cc(ccc1Br)COc2cccnc2 7a_100000210849_100000727479 [0,2,0,0,0,0|2,0,0]=4 24166 B17R2.193 Cc1cc(ccc1Br)CSc2ccccc2 62a_100000719477_100000727479 [0,2,0,0,0,0|2,0,0]=4 24167 B17R2.193 Cc1cc(ccc1Br)CSc2ccccc2 62a_100000727479_100000041952 [0,2,0,0,0,0|2,0,0]=4 24168 B17R2.193 Cc1cc(ccc1Br)CSc2cccnc2 62a_100000210063_100000727479 [0,2,0,0,0,0|2,0,0]=4 24169 B17R2.193 Cc1cc(ccc1Br)CSc2cccnc2 62a_100000727479_100000210063 [0,2,0,0,0,0|2,0,0]=4 24170 B17R2.193 Cc1cc(ccc1Br)NCc2ccccc2 207a_100000210723_100015611070 [0,2,0,0,0,0|1,0,0]=3 24171 B17R2.193 Cc1cc(ccc1Br)NCc2ccccc2 2230a_100000210723_100015291786 [0,2,0,0,0,0|1,0,0]=3 24172 B17R2.193 Cc1cc(ccc1Br)NCc2ccccc2 270302a_100000210723_100015611070 [0,2,0,0,0,0|1,0,0]=3 24173 B17R2.193 Cc1cc(ccc1Br)NCc2ccccc2 34a_100000210723_100015291786 [0,2,0,0,0,0|1,0,0]=3 24174 B17R2.193 Cc1cc(ccc1Br)NCc2ccccc2 7a_100000210723_100000211182 [0,2,0,0,0,0|1,0,0]=3 24175 B17R2.193 Cc1cc(ccc1Br)NCc2ccccn2 207a_100000210723_100000209966 [0,2,0,0,0,0|2,0,0]=4 24176 B17R2.193 Cc1cc(ccc1Br)NCc2ccccn2 2230a_100000210723_100000721315 [0,2,0,0,0,0|2,0,0]=4 24177 B17R2.193 Cc1cc(ccc1Br)NCc2ccccn2 270302a_100000210723_100000209966 [0,2,0,0,0,0|2,0,0]=4 24178 B17R2.193 Cc1cc(ccc1Br)NCc2ccccn2 34a_100000210723_100000721315 [0,2,0,0,0,0|2,0,0]=4 24179 B17R2.193 Cc1cc(ccc1Br)NCc2ccccn2 7a_100000210723_100000721315 [0,2,0,0,0,0|2,0,0]=4 24180 B17R2.193 Cc1cc(ccc1Br)NCc2cccnc2 207a_100000210723_100000209961 [0,2,0,0,0,0|0,0,0]=2 24181 B17R2.193 Cc1cc(ccc1Br)NCc2cccnc2 2230a_100000210723_100000741622 [0,2,0,0,0,0|0,0,0]=2 24182 B17R2.193 Cc1cc(ccc1Br)NCc2cccnc2 270302a_100000210723_100000209961 [0,2,0,0,0,0|0,0,0]=2 24183 B17R2.193 Cc1cc(ccc1Br)NCc2cccnc2 34a_100000210723_100000733263 [0,2,0,0,0,0|0,0,0]=2 24184 B17R2.193 Cc1cc(ccc1Br)NCc2cccnc2 7a_100000210723_100000741622 [0,2,0,0,0,0|0,0,0]=2 24185 B17R2.193 Cc1cc(ccc1Br)NCc2cccnn2 2230a_100000210723_100016990269 [0,2,0,0,0,0|1,0,0]=3 24186 B17R2.193 Cc1cc(ccc1Br)NCc2cccnn2 34a_100000210723_100016990269 [0,2,0,0,0,0|1,0,0]=3 24187 B17R2.193 Cc1cc(ccc1Br)NCc2cccnn2 7a_100000210723_100016990269 [0,2,0,0,0,0|1,0,0]=3 24188 B17R2.193 Cc1cc(ccc1Br)NCc2ccncc2 207a_100000210723_100000186114 [0,2,0,0,0,0|2,0,0]=4 24189 B17R2.193 Cc1cc(ccc1Br)NCc2ccncc2 2230a_100000210723_100015193705 [0,2,0,0,0,0|2,0,0]=4 24190 B17R2.193 Cc1cc(ccc1Br)NCc2ccncc2 7a_100000210723_100015193705 [0,2,0,0,0,0|2,0,0]=4 24191 B17R2.193 Cc1cc(ccc1Br)NCc2ccnnc2 270302a_100000210723_100011934578 [0,2,0,0,0,0|1,0,0]=3 24192 B17R2.193 Cc1cc(ccc1Br)NCc2cnccn2 2230a_100000210723_100016995436 [0,2,0,0,0,0|1,0,0]=3 24193 B17R2.193 Cc1cc(ccc1Br)NCc2cnccn2 34a_100000210723_100016995436 [0,2,0,0,0,0|1,0,0]=3 24194 B17R2.193 Cc1cc(ccc1Br)NCc2cnccn2 7a_100000210723_100016995436 [0,2,0,0,0,0|1,0,0]=3 24195 B17R2.193 Cc1cc(ccc1Br)NCc2cncnc2 2230a_100000210723_100015196519 [0,2,0,0,0,0|1,0,0]=3 24196 B17R2.193 Cc1cc(ccc1Br)NCc2cncnc2 270302a_100000210723_100000749868 [0,2,0,0,0,0|1,0,0]=3 24197 B17R2.193 Cc1cc(ccc1Br)NCc2cncnc2 34a_100000210723_100015196519 [0,2,0,0,0,0|1,0,0]=3 24198 B17R2.193 Cc1cc(ccc1Br)NCc2cncnc2 7a_100000210723_100015196519 [0,2,0,0,0,0|1,0,0]=3 24199 B17R2.193 Cc1cc(ccc1Br)OCc2ccccc2 34a_100000690111_100015291786 [0,2,0,0,0,0|2,0,0]=4 24200 B17R2.193 Cc1cc(ccc1Br)OCc2ccccc2 7a_100000690111_100000211182 [0,2,0,0,0,0|2,0,0]=4 24201 B17R2.193 Cc1cc(ccc1Br)OCc2cccnc2 34a_100000690111_100000733263 [0,2,0,0,0,0|1,0,0]=3 24202 B17R2.193 Cc1cc(ccc1Br)OCc2cccnc2 7a_100000690111_100000741622 [0,2,0,0,0,0|1,0,0]=3 24203 B17R2.193 Cc1cc(ccc1Br)OCc2cccnn2 34a_100000690111_100016990269 [0,2,0,0,0,0|2,0,0]=4 24204 B17R2.193 Cc1cc(ccc1Br)OCc2cccnn2 7a_100000690111_100016990269 [0,2,0,0,0,0|2,0,0]=4 24205 B17R2.193 Cc1cc(ccc1Br)OCc2cnccn2 34a_100000690111_100016995436 [0,2,0,0,0,0|2,0,0]=4 24206 B17R2.193 Cc1cc(ccc1Br)OCc2cnccn2 7a_100000690111_100016995436 [0,2,0,0,0,0|2,0,0]=4 24207 B17R2.193 Cc1cc(ccc1Br)OCc2cncnc2 34a_100000690111_100015196519 [0,2,0,0,0,0|2,0,0]=4 24208 B17R2.193 Cc1cc(ccc1Br)OCc2cncnc2 7a_100000690111_100015196519 [0,2,0,0,0,0|2,0,0]=4 24209 B17R2.193 Cc1cc(ccc1Br)SCc2ccccc2 62a_100000211182_100009813585 [0,2,0,0,0,0|2,0,0]=4 24210 B17R2.193 Cc1cc(ccc1Br)SCc2ccccc2 62a_100009813585_100015291786 [0,2,0,0,0,0|2,0,0]=4 24211 B17R2.193 Cc1cc(ccc1Br)SCc2cccnc2 62a_100000741622_100009813585 [0,2,0,0,0,0|1,0,0]=3 24212 B17R2.193 Cc1cc(ccc1Br)SCc2cccnc2 62a_100009813585_100000741622 [0,2,0,0,0,0|1,0,0]=3 24213 B17R2.193 Cc1cc(ccc1Br)SCc2cccnn2 62a_100009813585_100016990269 [0,2,0,0,0,0|2,0,0]=4 24214 B17R2.193 Cc1cc(ccc1Br)SCc2cccnn2 62a_100016990269_100009813585 [0,2,0,0,0,0|2,0,0]=4 24215 B17R2.193 Cc1cc(ccc1Br)SCc2cnccn2 62a_100009813585_100016995436 [0,2,0,0,0,0|2,0,0]=4 24216 B17R2.193 Cc1cc(ccc1Br)SCc2cnccn2 62a_100016995436_100009813585 [0,2,0,0,0,0|2,0,0]=4 24217 B17R2.193 Cc1cc(ccc1Br)SCc2cncnc2 62a_100009813585_100015196519 [0,2,0,0,0,0|2,0,0]=4 24218 B17R2.193 Cc1cc(ccc1Br)SCc2cncnc2 62a_100015196519_100009813585 [0,2,0,0,0,0|2,0,0]=4 24219 B17R2.193 Cc1cc(ccc1Cl)C=Cc2cccnc2 271570a_100102525586_100000049509 [0,2,0,0,0,0|1,0,1]=4 24220 B17R2.193 Cc1cc(ccc1Cl)CNc2ccccc2 207a_100000106764_100000698814 [0,2,0,0,0,0|1,0,0]=3 24221 B17R2.193 Cc1cc(ccc1Cl)CNc2ccccc2 270302a_100000106764_100000698814 [0,2,0,0,0,0|1,0,0]=3 24222 B17R2.193 Cc1cc(ccc1Cl)CNc2ccccc2 34a_100000106764_100012184735 [0,2,0,0,0,0|1,0,0]=3 24223 B17R2.193 Cc1cc(ccc1Cl)COc2ccccc2 34a_100000210340_100012184735 [0,2,0,0,0,0|2,0,0]=4 24224 B17R2.193 Cc1cc(ccc1Cl)COc2ccccc2 7a_100000210340_100012184735 [0,2,0,0,0,0|2,0,0]=4 24225 B17R2.193 Cc1cc(ccc1Cl)COc2cccnc2 34a_100000210849_100012184735 [0,2,0,0,0,0|2,0,0]=4 24226 B17R2.193 Cc1cc(ccc1Cl)COc2cccnc2 7a_100000210849_100012184735 [0,2,0,0,0,0|2,0,0]=4 24227 B17R2.193 Cc1cc(ccc1Cl)CSc2ccccc2 62a_100000719477_100012184735 [0,2,0,0,0,0|2,0,0]=4 24228 B17R2.193 Cc1cc(ccc1Cl)CSc2ccccc2 62a_100012184735_100000041952 [0,2,0,0,0,0|2,0,0]=4 24229 B17R2.193 Cc1cc(ccc1Cl)CSc2cccnc2 62a_100000210063_100012184735 [0,2,0,0,0,0|2,0,0]=4 24230 B17R2.193 Cc1cc(ccc1Cl)CSc2cccnc2 62a_100012184735_100000210063 [0,2,0,0,0,0|2,0,0]=4 24231 B17R2.193 Cc1cc(ccc1Cl)NCc2ccccc2 207a_100000187808_100015611070 [0,2,0,0,0,0|1,0,0]=3 24232 B17R2.193 Cc1cc(ccc1Cl)NCc2ccccc2 2230a_100000187808_100015291786 [0,2,0,0,0,0|1,0,0]=3 24233 B17R2.193 Cc1cc(ccc1Cl)NCc2ccccc2 270302a_100000187808_100015611070 [0,2,0,0,0,0|1,0,0]=3 24234 B17R2.193 Cc1cc(ccc1Cl)NCc2ccccc2 34a_100000187808_100015291786 [0,2,0,0,0,0|1,0,0]=3 24235 B17R2.193 Cc1cc(ccc1Cl)NCc2ccccc2 7a_100000187808_100000211182 [0,2,0,0,0,0|1,0,0]=3 24236 B17R2.193 Cc1cc(ccc1Cl)NCc2ccccn2 207a_100000187808_100000209966 [0,2,0,0,0,0|2,0,0]=4 24237 B17R2.193 Cc1cc(ccc1Cl)NCc2ccccn2 2230a_100000187808_100000721315 [0,2,0,0,0,0|2,0,0]=4 24238 B17R2.193 Cc1cc(ccc1Cl)NCc2ccccn2 270302a_100000187808_100000209966 [0,2,0,0,0,0|2,0,0]=4 24239 B17R2.193 Cc1cc(ccc1Cl)NCc2ccccn2 34a_100000187808_100000721315 [0,2,0,0,0,0|2,0,0]=4 24240 B17R2.193 Cc1cc(ccc1Cl)NCc2ccccn2 7a_100000187808_100000721315 [0,2,0,0,0,0|2,0,0]=4 24241 B17R2.193 Cc1cc(ccc1Cl)NCc2cccnc2 207a_100000187808_100000209961 [0,2,0,0,0,0|0,0,0]=2 24242 B17R2.193 Cc1cc(ccc1Cl)NCc2cccnc2 2230a_100000187808_100000741622 [0,2,0,0,0,0|0,0,0]=2 24243 B17R2.193 Cc1cc(ccc1Cl)NCc2cccnc2 270302a_100000187808_100000209961 [0,2,0,0,0,0|0,0,0]=2 24244 B17R2.193 Cc1cc(ccc1Cl)NCc2cccnc2 34a_100000187808_100000733263 [0,2,0,0,0,0|0,0,0]=2 24245 B17R2.193 Cc1cc(ccc1Cl)NCc2cccnc2 7a_100000187808_100000741622 [0,2,0,0,0,0|0,0,0]=2 24246 B17R2.193 Cc1cc(ccc1Cl)NCc2cccnn2 2230a_100000187808_100016990269 [0,2,0,0,0,0|1,0,0]=3 24247 B17R2.193 Cc1cc(ccc1Cl)NCc2cccnn2 34a_100000187808_100016990269 [0,2,0,0,0,0|1,0,0]=3 24248 B17R2.193 Cc1cc(ccc1Cl)NCc2cccnn2 7a_100000187808_100016990269 [0,2,0,0,0,0|1,0,0]=3 24249 B17R2.193 Cc1cc(ccc1Cl)NCc2ccncc2 207a_100000187808_100000186114 [0,2,0,0,0,0|2,0,0]=4 24250 B17R2.193 Cc1cc(ccc1Cl)NCc2ccncc2 2230a_100000187808_100015193705 [0,2,0,0,0,0|2,0,0]=4 24251 B17R2.193 Cc1cc(ccc1Cl)NCc2ccncc2 7a_100000187808_100015193705 [0,2,0,0,0,0|2,0,0]=4 24252 B17R2.193 Cc1cc(ccc1Cl)NCc2ccnnc2 270302a_100000187808_100011934578 [0,2,0,0,0,0|1,0,0]=3 24253 B17R2.193 Cc1cc(ccc1Cl)NCc2cnccn2 2230a_100000187808_100016995436 [0,2,0,0,0,0|1,0,0]=3 24254 B17R2.193 Cc1cc(ccc1Cl)NCc2cnccn2 34a_100000187808_100016995436 [0,2,0,0,0,0|1,0,0]=3 24255 B17R2.193 Cc1cc(ccc1Cl)NCc2cnccn2 7a_100000187808_100016995436 [0,2,0,0,0,0|1,0,0]=3 24256 B17R2.193 Cc1cc(ccc1Cl)NCc2cncnc2 2230a_100000187808_100015196519 [0,2,0,0,0,0|1,0,0]=3 24257 B17R2.193 Cc1cc(ccc1Cl)NCc2cncnc2 270302a_100000187808_100000749868 [0,2,0,0,0,0|1,0,0]=3 24258 B17R2.193 Cc1cc(ccc1Cl)NCc2cncnc2 34a_100000187808_100015196519 [0,2,0,0,0,0|1,0,0]=3 24259 B17R2.193 Cc1cc(ccc1Cl)NCc2cncnc2 7a_100000187808_100015196519 [0,2,0,0,0,0|1,0,0]=3 24260 B17R2.193 Cc1cc(ccc1Cl)OCc2ccccc2 34a_100000211092_100015291786 [0,2,0,0,0,0|2,0,0]=4 24261 B17R2.193 Cc1cc(ccc1Cl)OCc2ccccc2 7a_100000211092_100000211182 [0,2,0,0,0,0|2,0,0]=4 24262 B17R2.193 Cc1cc(ccc1Cl)OCc2cccnc2 34a_100000211092_100000733263 [0,2,0,0,0,0|1,0,0]=3 24263 B17R2.193 Cc1cc(ccc1Cl)OCc2cccnc2 7a_100000211092_100000741622 [0,2,0,0,0,0|1,0,0]=3 24264 B17R2.193 Cc1cc(ccc1Cl)OCc2cccnn2 34a_100000211092_100016990269 [0,2,0,0,0,0|2,0,0]=4 24265 B17R2.193 Cc1cc(ccc1Cl)OCc2cccnn2 7a_100000211092_100016990269 [0,2,0,0,0,0|2,0,0]=4 24266 B17R2.193 Cc1cc(ccc1Cl)OCc2cnccn2 34a_100000211092_100016995436 [0,2,0,0,0,0|2,0,0]=4 24267 B17R2.193 Cc1cc(ccc1Cl)OCc2cnccn2 7a_100000211092_100016995436 [0,2,0,0,0,0|2,0,0]=4 24268 B17R2.193 Cc1cc(ccc1Cl)OCc2cncnc2 34a_100000211092_100015196519 [0,2,0,0,0,0|2,0,0]=4 24269 B17R2.193 Cc1cc(ccc1Cl)OCc2cncnc2 7a_100000211092_100015196519 [0,2,0,0,0,0|2,0,0]=4 24270 B17R2.193 Cc1cc(ccc1Cl)SCc2ccccc2 62a_100000049509_100015291786 [0,2,0,0,0,0|2,0,0]=4 24271 B17R2.193 Cc1cc(ccc1Cl)SCc2ccccc2 62a_100000211182_100000049509 [0,2,0,0,0,0|2,0,0]=4 24272 B17R2.193 Cc1cc(ccc1Cl)SCc2cccnc2 62a_100000049509_100000741622 [0,2,0,0,0,0|1,0,0]=3 24273 B17R2.193 Cc1cc(ccc1Cl)SCc2cccnc2 62a_100000741622_100000049509 [0,2,0,0,0,0|1,0,0]=3 24274 B17R2.193 Cc1cc(ccc1Cl)SCc2cccnn2 62a_100000049509_100016990269 [0,2,0,0,0,0|2,0,0]=4 24275 B17R2.193 Cc1cc(ccc1Cl)SCc2cccnn2 62a_100016990269_100000049509 [0,2,0,0,0,0|2,0,0]=4 24276 B17R2.193 Cc1cc(ccc1Cl)SCc2cnccn2 62a_100000049509_100016995436 [0,2,0,0,0,0|2,0,0]=4 24277 B17R2.193 Cc1cc(ccc1Cl)SCc2cnccn2 62a_100016995436_100000049509 [0,2,0,0,0,0|2,0,0]=4 24278 B17R2.193 Cc1cc(ccc1Cl)SCc2cncnc2 62a_100000049509_100015196519 [0,2,0,0,0,0|2,0,0]=4 24279 B17R2.193 Cc1cc(ccc1Cl)SCc2cncnc2 62a_100015196519_100000049509 [0,2,0,0,0,0|2,0,0]=4 24280 B17R2.193 Cc1cc(ccc1F)C=Cc2cccnc2 271570a_100102525586_100011218330 [0,2,0,0,0,0|1,0,1]=4 24281 B17R2.193 Cc1cc(ccc1F)CNc2ccccc2 207a_100000106764_100000748208 [0,2,0,0,0,0|1,0,0]=3 24282 B17R2.193 Cc1cc(ccc1F)CNc2ccccc2 270302a_100000106764_100000748208 [0,2,0,0,0,0|1,0,0]=3 24283 B17R2.193 Cc1cc(ccc1F)CNc2ccccc2 34a_100000106764_100011216667 [0,2,0,0,0,0|1,0,0]=3 24284 B17R2.193 Cc1cc(ccc1F)COc2ccccc2 34a_100000210340_100011216667 [0,2,0,0,0,0|2,0,0]=4 24285 B17R2.193 Cc1cc(ccc1F)COc2ccccc2 7a_100000210340_100011216667 [0,2,0,0,0,0|2,0,0]=4 24286 B17R2.193 Cc1cc(ccc1F)COc2cccnc2 34a_100000210849_100011216667 [0,2,0,0,0,0|2,0,0]=4 24287 B17R2.193 Cc1cc(ccc1F)COc2cccnc2 7a_100000210849_100011216667 [0,2,0,0,0,0|2,0,0]=4 24288 B17R2.193 Cc1cc(ccc1F)CSc2ccccc2 62a_100000719477_100011216667 [0,2,0,0,0,0|2,0,0]=4 24289 B17R2.193 Cc1cc(ccc1F)CSc2ccccc2 62a_100011216667_100000041952 [0,2,0,0,0,0|2,0,0]=4 24290 B17R2.193 Cc1cc(ccc1F)CSc2cccnc2 62a_100000210063_100011216667 [0,2,0,0,0,0|2,0,0]=4 24291 B17R2.193 Cc1cc(ccc1F)CSc2cccnc2 62a_100011216667_100000210063 [0,2,0,0,0,0|2,0,0]=4 24292 B17R2.193 Cc1cc(ccc1F)NCc2ccccc2 207a_100000750164_100015611070 [0,2,0,0,0,0|1,0,0]=3 24293 B17R2.193 Cc1cc(ccc1F)NCc2ccccc2 2230a_100000750164_100015291786 [0,2,0,0,0,0|1,0,0]=3 24294 B17R2.193 Cc1cc(ccc1F)NCc2ccccc2 270302a_100000750164_100015611070 [0,2,0,0,0,0|1,0,0]=3 24295 B17R2.193 Cc1cc(ccc1F)NCc2ccccc2 34a_100000750164_100015291786 [0,2,0,0,0,0|1,0,0]=3 24296 B17R2.193 Cc1cc(ccc1F)NCc2ccccc2 7a_100000750164_100000211182 [0,2,0,0,0,0|1,0,0]=3 24297 B17R2.193 Cc1cc(ccc1F)NCc2ccccn2 207a_100000750164_100000209966 [0,2,0,0,0,0|2,0,0]=4 24298 B17R2.193 Cc1cc(ccc1F)NCc2ccccn2 2230a_100000750164_100000721315 [0,2,0,0,0,0|2,0,0]=4 24299 B17R2.193 Cc1cc(ccc1F)NCc2ccccn2 270302a_100000750164_100000209966 [0,2,0,0,0,0|2,0,0]=4 24300 B17R2.193 Cc1cc(ccc1F)NCc2ccccn2 34a_100000750164_100000721315 [0,2,0,0,0,0|2,0,0]=4 24301 B17R2.193 Cc1cc(ccc1F)NCc2ccccn2 7a_100000750164_100000721315 [0,2,0,0,0,0|2,0,0]=4 24302 B17R2.193 Cc1cc(ccc1F)NCc2cccnc2 207a_100000750164_100000209961 [0,2,0,0,0,0|0,0,0]=2 24303 B17R2.193 Cc1cc(ccc1F)NCc2cccnc2 2230a_100000750164_100000741622 [0,2,0,0,0,0|0,0,0]=2 24304 B17R2.193 Cc1cc(ccc1F)NCc2cccnc2 270302a_100000750164_100000209961 [0,2,0,0,0,0|0,0,0]=2 24305 B17R2.193 Cc1cc(ccc1F)NCc2cccnc2 34a_100000750164_100000733263 [0,2,0,0,0,0|0,0,0]=2 24306 B17R2.193 Cc1cc(ccc1F)NCc2cccnc2 7a_100000750164_100000741622 [0,2,0,0,0,0|0,0,0]=2 24307 B17R2.193 Cc1cc(ccc1F)NCc2cccnn2 2230a_100000750164_100016990269 [0,2,0,0,0,0|1,0,0]=3 24308 B17R2.193 Cc1cc(ccc1F)NCc2cccnn2 34a_100000750164_100016990269 [0,2,0,0,0,0|1,0,0]=3 24309 B17R2.193 Cc1cc(ccc1F)NCc2cccnn2 7a_100000750164_100016990269 [0,2,0,0,0,0|1,0,0]=3 24310 B17R2.193 Cc1cc(ccc1F)NCc2ccncc2 207a_100000750164_100000186114 [0,2,0,0,0,0|2,0,0]=4 24311 B17R2.193 Cc1cc(ccc1F)NCc2ccncc2 2230a_100000750164_100015193705 [0,2,0,0,0,0|2,0,0]=4 24312 B17R2.193 Cc1cc(ccc1F)NCc2ccncc2 7a_100000750164_100015193705 [0,2,0,0,0,0|2,0,0]=4 24313 B17R2.193 Cc1cc(ccc1F)NCc2ccnnc2 270302a_100000750164_100011934578 [0,2,0,0,0,0|1,0,0]=3 24314 B17R2.193 Cc1cc(ccc1F)NCc2cnccn2 2230a_100000750164_100016995436 [0,2,0,0,0,0|1,0,0]=3 24315 B17R2.193 Cc1cc(ccc1F)NCc2cnccn2 34a_100000750164_100016995436 [0,2,0,0,0,0|1,0,0]=3 24316 B17R2.193 Cc1cc(ccc1F)NCc2cnccn2 7a_100000750164_100016995436 [0,2,0,0,0,0|1,0,0]=3 24317 B17R2.193 Cc1cc(ccc1F)NCc2cncnc2 2230a_100000750164_100015196519 [0,2,0,0,0,0|1,0,0]=3 24318 B17R2.193 Cc1cc(ccc1F)NCc2cncnc2 270302a_100000750164_100000749868 [0,2,0,0,0,0|1,0,0]=3 24319 B17R2.193 Cc1cc(ccc1F)NCc2cncnc2 34a_100000750164_100015196519 [0,2,0,0,0,0|1,0,0]=3 24320 B17R2.193 Cc1cc(ccc1F)NCc2cncnc2 7a_100000750164_100015196519 [0,2,0,0,0,0|1,0,0]=3 24321 B17R2.193 Cc1cc(ccc1F)OCc2ccccc2 34a_100000751312_100015291786 [0,2,0,0,0,0|2,0,0]=4 24322 B17R2.193 Cc1cc(ccc1F)OCc2ccccc2 7a_100000751312_100000211182 [0,2,0,0,0,0|2,0,0]=4 24323 B17R2.193 Cc1cc(ccc1F)OCc2cccnc2 34a_100000751312_100000733263 [0,2,0,0,0,0|1,0,0]=3 24324 B17R2.193 Cc1cc(ccc1F)OCc2cccnc2 7a_100000751312_100000741622 [0,2,0,0,0,0|1,0,0]=3 24325 B17R2.193 Cc1cc(ccc1F)OCc2cccnn2 34a_100000751312_100016990269 [0,2,0,0,0,0|2,0,0]=4 24326 B17R2.193 Cc1cc(ccc1F)OCc2cccnn2 7a_100000751312_100016990269 [0,2,0,0,0,0|2,0,0]=4 24327 B17R2.193 Cc1cc(ccc1F)OCc2cnccn2 34a_100000751312_100016995436 [0,2,0,0,0,0|2,0,0]=4 24328 B17R2.193 Cc1cc(ccc1F)OCc2cnccn2 7a_100000751312_100016995436 [0,2,0,0,0,0|2,0,0]=4 24329 B17R2.193 Cc1cc(ccc1F)OCc2cncnc2 34a_100000751312_100015196519 [0,2,0,0,0,0|2,0,0]=4 24330 B17R2.193 Cc1cc(ccc1F)OCc2cncnc2 7a_100000751312_100015196519 [0,2,0,0,0,0|2,0,0]=4 24331 B17R2.193 Cc1cc(ccc1F)SCc2ccccc2 62a_100000211182_100011218330 [0,2,0,0,0,0|2,0,0]=4 24332 B17R2.193 Cc1cc(ccc1F)SCc2ccccc2 62a_100011218330_100015291786 [0,2,0,0,0,0|2,0,0]=4 24333 B17R2.193 Cc1cc(ccc1F)SCc2cccnc2 62a_100000741622_100011218330 [0,2,0,0,0,0|1,0,0]=3 24334 B17R2.193 Cc1cc(ccc1F)SCc2cccnc2 62a_100011218330_100000741622 [0,2,0,0,0,0|1,0,0]=3 24335 B17R2.193 Cc1cc(ccc1F)SCc2cccnn2 62a_100011218330_100016990269 [0,2,0,0,0,0|2,0,0]=4 24336 B17R2.193 Cc1cc(ccc1F)SCc2cccnn2 62a_100016990269_100011218330 [0,2,0,0,0,0|2,0,0]=4 24337 B17R2.193 Cc1cc(ccc1F)SCc2cnccn2 62a_100011218330_100016995436 [0,2,0,0,0,0|2,0,0]=4 24338 B17R2.193 Cc1cc(ccc1F)SCc2cnccn2 62a_100016995436_100011218330 [0,2,0,0,0,0|2,0,0]=4 24339 B17R2.193 Cc1cc(ccc1F)SCc2cncnc2 62a_100011218330_100015196519 [0,2,0,0,0,0|2,0,0]=4 24340 B17R2.193 Cc1cc(ccc1F)SCc2cncnc2 62a_100015196519_100011218330 [0,2,0,0,0,0|2,0,0]=4 24341 B17R2.193 Cc1cc(ccc1I)NCc2ccccc2 207a_100000198070_100015611070 [0,2,0,0,0,0|1,0,0]=3 24342 B17R2.193 Cc1cc(ccc1I)NCc2ccccc2 270302a_100000198070_100015611070 [0,2,0,0,0,0|1,0,0]=3 24343 B17R2.193 Cc1cc(ccc1I)NCc2ccccc2 34a_100000198070_100015291786 [0,2,0,0,0,0|1,0,0]=3 24344 B17R2.193 Cc1cc(ccc1I)NCc2ccccc2 7a_100000198070_100000211182 [0,2,0,0,0,0|1,0,0]=3 24345 B17R2.193 Cc1cc(ccc1I)NCc2ccccn2 207a_100000198070_100000209966 [0,2,0,0,0,0|2,0,0]=4 24346 B17R2.193 Cc1cc(ccc1I)NCc2ccccn2 270302a_100000198070_100000209966 [0,2,0,0,0,0|2,0,0]=4 24347 B17R2.193 Cc1cc(ccc1I)NCc2ccccn2 34a_100000198070_100000721315 [0,2,0,0,0,0|2,0,0]=4 24348 B17R2.193 Cc1cc(ccc1I)NCc2ccccn2 7a_100000198070_100000721315 [0,2,0,0,0,0|2,0,0]=4 24349 B17R2.193 Cc1cc(ccc1I)NCc2cccnc2 207a_100000198070_100000209961 [0,2,0,0,0,0|0,0,0]=2 24350 B17R2.193 Cc1cc(ccc1I)NCc2cccnc2 270302a_100000198070_100000209961 [0,2,0,0,0,0|0,0,0]=2 24351 B17R2.193 Cc1cc(ccc1I)NCc2cccnc2 34a_100000198070_100000733263 [0,2,0,0,0,0|0,0,0]=2 24352 B17R2.193 Cc1cc(ccc1I)NCc2cccnc2 7a_100000198070_100000741622 [0,2,0,0,0,0|0,0,0]=2 24353 B17R2.193 Cc1cc(ccc1I)NCc2cccnn2 34a_100000198070_100016990269 [0,2,0,0,0,0|1,0,0]=3 24354 B17R2.193 Cc1cc(ccc1I)NCc2cccnn2 7a_100000198070_100016990269 [0,2,0,0,0,0|1,0,0]=3 24355 B17R2.193 Cc1cc(ccc1I)NCc2ccncc2 207a_100000198070_100000186114 [0,2,0,0,0,0|2,0,0]=4 24356 B17R2.193 Cc1cc(ccc1I)NCc2ccncc2 7a_100000198070_100015193705 [0,2,0,0,0,0|2,0,0]=4 24357 B17R2.193 Cc1cc(ccc1I)NCc2ccnnc2 270302a_100000198070_100011934578 [0,2,0,0,0,0|1,0,0]=3 24358 B17R2.193 Cc1cc(ccc1I)NCc2cnccn2 34a_100000198070_100016995436 [0,2,0,0,0,0|1,0,0]=3 24359 B17R2.193 Cc1cc(ccc1I)NCc2cnccn2 7a_100000198070_100016995436 [0,2,0,0,0,0|1,0,0]=3 24360 B17R2.193 Cc1cc(ccc1I)NCc2cncnc2 270302a_100000198070_100000749868 [0,2,0,0,0,0|1,0,0]=3 24361 B17R2.193 Cc1cc(ccc1I)NCc2cncnc2 34a_100000198070_100015196519 [0,2,0,0,0,0|1,0,0]=3 24362 B17R2.193 Cc1cc(ccc1I)NCc2cncnc2 7a_100000198070_100015196519 [0,2,0,0,0,0|1,0,0]=3 24363 B17R2.193 Cc1cc(ccc1I)OCc2ccccc2 34a_100000729255_100015291786 [0,2,0,0,0,0|2,0,0]=4 24364 B17R2.193 Cc1cc(ccc1I)OCc2ccccc2 7a_100000729255_100000211182 [0,2,0,0,0,0|2,0,0]=4 24365 B17R2.193 Cc1cc(ccc1I)OCc2cccnc2 34a_100000729255_100000733263 [0,2,0,0,0,0|1,0,0]=3 24366 B17R2.193 Cc1cc(ccc1I)OCc2cccnc2 7a_100000729255_100000741622 [0,2,0,0,0,0|1,0,0]=3 24367 B17R2.193 Cc1cc(ccc1I)OCc2cccnn2 34a_100000729255_100016990269 [0,2,0,0,0,0|2,0,0]=4 24368 B17R2.193 Cc1cc(ccc1I)OCc2cccnn2 7a_100000729255_100016990269 [0,2,0,0,0,0|2,0,0]=4 24369 B17R2.193 Cc1cc(ccc1I)OCc2cnccn2 34a_100000729255_100016995436 [0,2,0,0,0,0|2,0,0]=4 24370 B17R2.193 Cc1cc(ccc1I)OCc2cnccn2 7a_100000729255_100016995436 [0,2,0,0,0,0|2,0,0]=4 24371 B17R2.193 Cc1cc(ccc1I)OCc2cncnc2 34a_100000729255_100015196519 [0,2,0,0,0,0|2,0,0]=4 24372 B17R2.193 Cc1cc(ccc1I)OCc2cncnc2 7a_100000729255_100015196519 [0,2,0,0,0,0|2,0,0]=4 24373 B17R2.193 Cc1cc(ccc1N)C=Cc2cccnc2 271570a_100102525586_100000211769 [0,2,0,0,0,0|1,0,1]=4 24374 B17R2.193 Cc1cc(ccc1N)OCc2ccccc2 34a_100000756630_100015291786 [0,2,0,0,0,0|2,0,0]=4 24375 B17R2.193 Cc1cc(ccc1N)OCc2ccccc2 7a_100000756630_100000211182 [0,2,0,0,0,0|2,0,0]=4 24376 B17R2.193 Cc1cc(ccc1N)OCc2cccnc2 34a_100000756630_100000733263 [0,2,0,0,0,0|1,0,0]=3 24377 B17R2.193 Cc1cc(ccc1N)OCc2cccnc2 7a_100000756630_100000741622 [0,2,0,0,0,0|1,0,0]=3 24378 B17R2.193 Cc1cc(ccc1N)OCc2cccnn2 34a_100000756630_100016990269 [0,2,0,0,0,0|2,0,0]=4 24379 B17R2.193 Cc1cc(ccc1N)OCc2cccnn2 7a_100000756630_100016990269 [0,2,0,0,0,0|2,0,0]=4 24380 B17R2.193 Cc1cc(ccc1N)OCc2cnccn2 34a_100000756630_100016995436 [0,2,0,0,0,0|2,0,0]=4 24381 B17R2.193 Cc1cc(ccc1N)OCc2cnccn2 7a_100000756630_100016995436 [0,2,0,0,0,0|2,0,0]=4 24382 B17R2.193 Cc1cc(ccc1N)OCc2cncnc2 34a_100000756630_100015196519 [0,2,0,0,0,0|2,0,0]=4 24383 B17R2.193 Cc1cc(ccc1N)OCc2cncnc2 7a_100000756630_100015196519 [0,2,0,0,0,0|2,0,0]=4 24384 B17R2.193 Cc1cc(ccc1N)SCc2ccccc2 62a_100000211182_100000211769 [0,2,0,0,0,0|2,0,0]=4 24385 B17R2.193 Cc1cc(ccc1N)SCc2ccccc2 62a_100000211769_100015291786 [0,2,0,0,0,0|2,0,0]=4 24386 B17R2.193 Cc1cc(ccc1N)SCc2cccnc2 62a_100000211769_100000741622 [0,2,0,0,0,0|1,0,0]=3 24387 B17R2.193 Cc1cc(ccc1N)SCc2cccnc2 62a_100000741622_100000211769 [0,2,0,0,0,0|1,0,0]=3 24388 B17R2.193 Cc1cc(ccc1N)SCc2cccnn2 62a_100000211769_100016990269 [0,2,0,0,0,0|2,0,0]=4 24389 B17R2.193 Cc1cc(ccc1N)SCc2cccnn2 62a_100016990269_100000211769 [0,2,0,0,0,0|2,0,0]=4 24390 B17R2.193 Cc1cc(ccc1N)SCc2cnccn2 62a_100000211769_100016995436 [0,2,0,0,0,0|2,0,0]=4 24391 B17R2.193 Cc1cc(ccc1N)SCc2cnccn2 62a_100016995436_100000211769 [0,2,0,0,0,0|2,0,0]=4 24392 B17R2.193 Cc1cc(ccc1N)SCc2cncnc2 62a_100000211769_100015196519 [0,2,0,0,0,0|2,0,0]=4 24393 B17R2.193 Cc1cc(ccc1N)SCc2cncnc2 62a_100015196519_100000211769 [0,2,0,0,0,0|2,0,0]=4 24394 B17R2.193 Cc1cc(ccc1O)C=Cc2cccnc2 271570a_100102525586_100000186361 [0,2,0,0,0,0|1,0,1]=4 24395 B17R2.193 Cc1cc(ccc1O)CNc2ccccc2 270302a_100000106764_100011215669 [0,2,0,0,0,0|1,0,0]=3 24396 B17R2.193 Cc1cc(ccc1O)NCc2ccccc2 270302a_100011218179_100015611070 [0,2,0,0,0,0|1,0,0]=3 24397 B17R2.193 Cc1cc(ccc1O)NCc2ccccc2 34a_100011218179_100015291786 [0,2,0,0,0,0|1,0,0]=3 24398 B17R2.193 Cc1cc(ccc1O)NCc2ccccc2 7a_100011218179_100000211182 [0,2,0,0,0,0|1,0,0]=3 24399 B17R2.193 Cc1cc(ccc1O)NCc2ccccn2 270302a_100011218179_100000209966 [0,2,0,0,0,0|2,0,0]=4 24400 B17R2.193 Cc1cc(ccc1O)NCc2ccccn2 34a_100011218179_100000721315 [0,2,0,0,0,0|2,0,0]=4 24401 B17R2.193 Cc1cc(ccc1O)NCc2ccccn2 7a_100011218179_100000721315 [0,2,0,0,0,0|2,0,0]=4 24402 B17R2.193 Cc1cc(ccc1O)NCc2cccnc2 270302a_100011218179_100000209961 [0,2,0,0,0,0|0,0,0]=2 24403 B17R2.193 Cc1cc(ccc1O)NCc2cccnc2 34a_100011218179_100000733263 [0,2,0,0,0,0|0,0,0]=2 24404 B17R2.193 Cc1cc(ccc1O)NCc2cccnc2 7a_100011218179_100000741622 [0,2,0,0,0,0|0,0,0]=2 24405 B17R2.193 Cc1cc(ccc1O)NCc2cccnn2 34a_100011218179_100016990269 [0,2,0,0,0,0|1,0,0]=3 24406 B17R2.193 Cc1cc(ccc1O)NCc2cccnn2 7a_100011218179_100016990269 [0,2,0,0,0,0|1,0,0]=3 24407 B17R2.193 Cc1cc(ccc1O)NCc2ccncc2 7a_100011218179_100015193705 [0,2,0,0,0,0|2,0,0]=4 24408 B17R2.193 Cc1cc(ccc1O)NCc2ccnnc2 270302a_100011218179_100011934578 [0,2,0,0,0,0|1,0,0]=3 24409 B17R2.193 Cc1cc(ccc1O)NCc2cnccn2 34a_100011218179_100016995436 [0,2,0,0,0,0|1,0,0]=3 24410 B17R2.193 Cc1cc(ccc1O)NCc2cnccn2 7a_100011218179_100016995436 [0,2,0,0,0,0|1,0,0]=3 24411 B17R2.193 Cc1cc(ccc1O)NCc2cncnc2 270302a_100011218179_100000749868 [0,2,0,0,0,0|1,0,0]=3 24412 B17R2.193 Cc1cc(ccc1O)NCc2cncnc2 34a_100011218179_100015196519 [0,2,0,0,0,0|1,0,0]=3 24413 B17R2.193 Cc1cc(ccc1O)NCc2cncnc2 7a_100011218179_100015196519 [0,2,0,0,0,0|1,0,0]=3 24414 B17R2.193 Cc1cc(ccc1O)OCc2ccccc2 271570a_203496583355_200012047214 [0,2,0,0,0,0|2,0,0]=4 24415 B17R2.193 Cc1cc(ccc1O)SCc2ccccc2 62a_100000211182_100000186361 [0,2,0,0,0,0|2,0,0]=4 24416 B17R2.193 Cc1cc(ccc1O)SCc2cccnc2 62a_100000741622_100000186361 [0,2,0,0,0,0|1,0,0]=3 24417 B17R2.193 Cc1cc(ccc1O)SCc2cccnn2 62a_100016990269_100000186361 [0,2,0,0,0,0|2,0,0]=4 24418 B17R2.193 Cc1cc(ccc1O)SCc2cnccn2 62a_100016995436_100000186361 [0,2,0,0,0,0|2,0,0]=4 24419 B17R2.193 Cc1cc(ccc1O)SCc2cncnc2 62a_100015196519_100000186361 [0,2,0,0,0,0|2,0,0]=4 24420 B17R2.193 Cc1cc(cnc1Br)C#Cc2ccccc2 271570a_100000069678_100009816107 [0,2,0,0,0,0|1,0,1]=4 24421 B17R2.193 Cc1cc(cnc1Br)C=Cc2ccccc2 271570a_100102527694_100009816107 [0,2,0,0,0,0|1,0,1]=4 24422 B17R2.193 Cc1cc(cnc1Br)CNc2ccccc2 270302a_100000106764_100009814818 [0,2,0,0,0,0|0,0,0]=2 24423 B17R2.193 Cc1cc(cnc1Br)OCc2ccccc2 34a_100012000486_100015291786 [0,2,0,0,0,0|2,0,0]=4 24424 B17R2.193 Cc1cc(cnc1Br)OCc2ccccc2 7a_100012000486_100000211182 [0,2,0,0,0,0|2,0,0]=4 24425 B17R2.193 Cc1cc(cnc1Br)OCc2cccnc2 34a_100012000486_100000733263 [0,2,0,0,0,0|2,0,0]=4 24426 B17R2.193 Cc1cc(cnc1Br)OCc2cccnc2 7a_100012000486_100000741622 [0,2,0,0,0,0|2,0,0]=4 24427 B17R2.193 Cc1cc(cnc1Br)SCc2ccccc2 62a_100000211182_100009816107 [0,2,0,0,0,0|2,0,0]=4 24428 B17R2.193 Cc1cc(cnc1Br)SCc2ccccc2 62a_100009816107_100015291786 [0,2,0,0,0,0|2,0,0]=4 24429 B17R2.193 Cc1cc(cnc1Br)SCc2cccnc2 62a_100000741622_100009816107 [0,2,0,0,0,0|2,0,0]=4 24430 B17R2.193 Cc1cc(cnc1Br)SCc2cccnc2 62a_100009816107_100000741622 [0,2,0,0,0,0|2,0,0]=4 24431 B17R2.193 Cc1cc(cnc1C)C#Cc2ccccc2 271570a_100000069678_100000697892 [0,2,0,0,0,0|1,0,1]=4 24432 B17R2.193 Cc1cc(cnc1C)C=Cc2ccccc2 271570a_100102527694_100000697892 [0,2,0,0,0,0|1,0,1]=4 24433 B17R2.193 Cc1cc(cnc1C)OCc2ccccc2 34a_100009854398_100015291786 [0,2,0,0,0,0|2,0,0]=4 24434 B17R2.193 Cc1cc(cnc1C)OCc2ccccc2 7a_100009854398_100000211182 [0,2,0,0,0,0|2,0,0]=4 24435 B17R2.193 Cc1cc(cnc1C)OCc2cccnc2 34a_100009854398_100000733263 [0,2,0,0,0,0|2,0,0]=4 24436 B17R2.193 Cc1cc(cnc1C)OCc2cccnc2 7a_100009854398_100000741622 [0,2,0,0,0,0|2,0,0]=4 24437 B17R2.193 Cc1cc(cnc1C)SCc2ccccc2 62a_100000211182_100000697892 [0,2,0,0,0,0|2,0,0]=4 24438 B17R2.193 Cc1cc(cnc1C)SCc2ccccc2 62a_100000697892_100015291786 [0,2,0,0,0,0|2,0,0]=4 24439 B17R2.193 Cc1cc(cnc1C)SCc2cccnc2 62a_100000697892_100000741622 [0,2,0,0,0,0|2,0,0]=4 24440 B17R2.193 Cc1cc(cnc1C)SCc2cccnc2 62a_100000741622_100000697892 [0,2,0,0,0,0|2,0,0]=4 24441 B17R2.193 Cc1cc(cnc1Cl)C#Cc2ccccc2 271570a_100000069678_100009922867 [0,2,0,0,0,0|1,0,1]=4 24442 B17R2.193 Cc1cc(cnc1Cl)C=Cc2ccccc2 271570a_100102527694_100009922867 [0,2,0,0,0,0|1,0,1]=4 24443 B17R2.193 Cc1cc(cnc1Cl)CNc2ccccc2 207a_100000106764_100000070293 [0,2,0,0,0,0|0,0,0]=2 24444 B17R2.193 Cc1cc(cnc1Cl)CNc2ccccc2 270302a_100000106764_100000070293 [0,2,0,0,0,0|0,0,0]=2 24445 B17R2.193 Cc1cc(cnc1Cl)OCc2ccccc2 34a_100012002680_100015291786 [0,2,0,0,0,0|2,0,0]=4 24446 B17R2.193 Cc1cc(cnc1Cl)OCc2ccccc2 7a_100012002680_100000211182 [0,2,0,0,0,0|2,0,0]=4 24447 B17R2.193 Cc1cc(cnc1Cl)OCc2cccnc2 34a_100012002680_100000733263 [0,2,0,0,0,0|2,0,0]=4 24448 B17R2.193 Cc1cc(cnc1Cl)OCc2cccnc2 7a_100012002680_100000741622 [0,2,0,0,0,0|2,0,0]=4 24449 B17R2.193 Cc1cc(cnc1Cl)SCc2ccccc2 62a_100000211182_100009922867 [0,2,0,0,0,0|2,0,0]=4 24450 B17R2.193 Cc1cc(cnc1Cl)SCc2ccccc2 62a_100009922867_100015291786 [0,2,0,0,0,0|2,0,0]=4 24451 B17R2.193 Cc1cc(cnc1Cl)SCc2cccnc2 62a_100000741622_100009922867 [0,2,0,0,0,0|2,0,0]=4 24452 B17R2.193 Cc1cc(cnc1Cl)SCc2cccnc2 62a_100009922867_100000741622 [0,2,0,0,0,0|2,0,0]=4 24453 B17R2.193 Cc1cc(cnc1F)C#Cc2ccccc2 271570a_100000069678_100000709442 [0,2,0,0,0,0|1,0,1]=4 24454 B17R2.193 Cc1cc(cnc1F)C=Cc2ccccc2 271570a_100102527694_100000709442 [0,2,0,0,0,0|1,0,1]=4 24455 B17R2.193 Cc1cc(cnc1F)CNc2ccccc2 270302a_100000106764_100000050577 [0,2,0,0,0,0|0,0,0]=2 24456 B17R2.193 Cc1cc(cnc1F)OCc2ccccc2 34a_100000094615_100015291786 [0,2,0,0,0,0|2,0,0]=4 24457 B17R2.193 Cc1cc(cnc1F)OCc2ccccc2 7a_100000094615_100000211182 [0,2,0,0,0,0|2,0,0]=4 24458 B17R2.193 Cc1cc(cnc1F)OCc2cccnc2 34a_100000094615_100000733263 [0,2,0,0,0,0|2,0,0]=4 24459 B17R2.193 Cc1cc(cnc1F)OCc2cccnc2 7a_100000094615_100000741622 [0,2,0,0,0,0|2,0,0]=4 24460 B17R2.193 Cc1cc(cnc1F)SCc2ccccc2 62a_100000211182_100000709442 [0,2,0,0,0,0|2,0,0]=4 24461 B17R2.193 Cc1cc(cnc1F)SCc2ccccc2 62a_100000709442_100015291786 [0,2,0,0,0,0|2,0,0]=4 24462 B17R2.193 Cc1cc(cnc1F)SCc2cccnc2 62a_100000709442_100000741622 [0,2,0,0,0,0|2,0,0]=4 24463 B17R2.193 Cc1cc(cnc1F)SCc2cccnc2 62a_100000741622_100000709442 [0,2,0,0,0,0|2,0,0]=4 24464 B17R2.193 Cc1cc(cnc1N)C#Cc2ccccc2 271570a_100000069678_100000186686 [0,2,0,0,0,0|1,0,1]=4 24465 B17R2.193 Cc1cc(cnc1N)C=Cc2ccccc2 271570a_100102527694_100000186686 [0,2,0,0,0,0|1,0,1]=4 24466 B17R2.193 Cc1cc(cnc1N)SCc2ccccc2 62a_100000211182_100000684428 [0,2,0,0,0,0|2,0,0]=4 24467 B17R2.193 Cc1cc(cnc1N)SCc2ccccc2 62a_100000684428_100015291786 [0,2,0,0,0,0|2,0,0]=4 24468 B17R2.193 Cc1cc(cnc1N)SCc2cccnc2 62a_100000684428_100000741622 [0,2,0,0,0,0|2,0,0]=4 24469 B17R2.193 Cc1cc(cnc1N)SCc2cccnc2 62a_100000741622_100000684428 [0,2,0,0,0,0|2,0,0]=4 24470 B17R2.193 Cc1cc(cnc1O)C#Cc2ccccc2 271570a_100000069678_100000685391 [0,2,0,0,0,0|1,0,1]=4 24471 B17R2.193 Cc1cc(cnc1O)C=Cc2ccccc2 271570a_100102527694_100000685391 [0,2,0,0,0,0|1,0,1]=4 24472 B17R2.193 Cc1cc(cnc1O)SCc2ccccc2 62a_100000211182_100000685391 [0,2,0,0,0,0|2,0,0]=4 24473 B17R2.193 Cc1cc(cnc1O)SCc2ccccc2 62a_100000685391_100015291786 [0,2,0,0,0,0|2,0,0]=4 24474 B17R2.193 Cc1cc(cnc1O)SCc2cccnc2 62a_100000685391_100000741622 [0,2,0,0,0,0|2,0,0]=4 24475 B17R2.193 Cc1cc(cnc1O)SCc2cccnc2 62a_100000741622_100000685391 [0,2,0,0,0,0|2,0,0]=4 24476 B17R2.193 Cc1cc(ncc1Br)CNc2ccccc2 207a_100000106764_100009814806 [0,2,0,0,0,0|2,0,0]=4 24477 B17R2.193 Cc1cc(ncc1Br)OCc2cccnc2 34a_100000766222_100000733263 [0,2,0,0,0,0|2,0,0]=4 24478 B17R2.193 Cc1cc(ncc1Br)SCc2cccnc2 62a_100000741622_100012356354 [0,2,0,0,0,0|2,0,0]=4 24479 B17R2.193 Cc1cc(ncc1Br)SCc2cccnc2 62a_100012356354_100000741622 [0,2,0,0,0,0|2,0,0]=4 24480 B17R2.193 Cc1cc(ncc1Cl)OCc2cccnc2 34a_200000085746_100000733263 [0,2,0,0,0,0|2,0,0]=4 24481 B17R2.193 Cc1cc(ncc1F)SCc2cccnc2 62a_100000741622_100009818257 [0,2,0,0,0,0|2,0,0]=4 24482 B17R2.193 Cc1cc(ncc1F)SCc2cccnc2 62a_100009818257_100000741622 [0,2,0,0,0,0|2,0,0]=4 24483 B17R2.193 Cc1cc(ncc1N)SCc2cccnc2 62a_100000067204_100000741622 [0,2,0,0,0,0|2,0,0]=4 24484 B17R2.193 Cc1cc(ncc1N)SCc2cccnc2 62a_100000741622_100000067204 [0,2,0,0,0,0|2,0,0]=4 24485 B17R2.193 Cc1cc(ncc1O)SCc2cccnc2 62a_100000741622_100000692680 [0,2,0,0,0,0|2,0,0]=4 24486 B17R2.193 Cc1ccc(c[n+]1[O-])SCc2cccnc2 62a_100000741622_100000703231 [0,2,0,0,0,0|2,0,0]=4 24487 B17R2.193 Cc1ccc(cc1Br)C=Cc2cccnc2 271570a_100102525586_100011847877 [0,2,0,0,0,0|1,0,1]=4 24488 B17R2.193 Cc1ccc(cc1Br)CNc2ccccc2 207a_100000106764_100000695567 [0,2,0,0,0,0|1,0,0]=3 24489 B17R2.193 Cc1ccc(cc1Br)CNc2ccccc2 270302a_100000106764_100000695567 [0,2,0,0,0,0|1,0,0]=3 24490 B17R2.193 Cc1ccc(cc1Br)CNc2ccccc2 34a_100000106764_100012232412 [0,2,0,0,0,0|1,0,0]=3 24491 B17R2.193 Cc1ccc(cc1Br)COc2ccccc2 34a_100000210340_100012232412 [0,2,0,0,0,0|2,0,0]=4 24492 B17R2.193 Cc1ccc(cc1Br)COc2ccccc2 7a_100000210340_100012232412 [0,2,0,0,0,0|2,0,0]=4 24493 B17R2.193 Cc1ccc(cc1Br)COc2cccnc2 34a_100000210849_100012232412 [0,2,0,0,0,0|2,0,0]=4 24494 B17R2.193 Cc1ccc(cc1Br)COc2cccnc2 7a_100000210849_100012232412 [0,2,0,0,0,0|2,0,0]=4 24495 B17R2.193 Cc1ccc(cc1Br)CSc2ccccc2 62a_100000719477_100012232412 [0,2,0,0,0,0|2,0,0]=4 24496 B17R2.193 Cc1ccc(cc1Br)CSc2ccccc2 62a_100012232412_100000041952 [0,2,0,0,0,0|2,0,0]=4 24497 B17R2.193 Cc1ccc(cc1Br)CSc2cccnc2 62a_100000210063_100012232412 [0,2,0,0,0,0|2,0,0]=4 24498 B17R2.193 Cc1ccc(cc1Br)CSc2cccnc2 62a_100012232412_100000210063 [0,2,0,0,0,0|2,0,0]=4 24499 B17R2.193 Cc1ccc(cc1Br)NCc2ccccc2 207a_100000736455_100015611070 [0,2,0,0,0,0|1,0,0]=3 24500 B17R2.193 Cc1ccc(cc1Br)NCc2ccccc2 2230a_100000736455_100015291786 [0,2,0,0,0,0|1,0,0]=3 24501 B17R2.193 Cc1ccc(cc1Br)NCc2ccccc2 270302a_100000736455_100015611070 [0,2,0,0,0,0|1,0,0]=3 24502 B17R2.193 Cc1ccc(cc1Br)NCc2ccccc2 34a_100000736455_100015291786 [0,2,0,0,0,0|1,0,0]=3 24503 B17R2.193 Cc1ccc(cc1Br)NCc2ccccc2 7a_100000736455_100000211182 [0,2,0,0,0,0|1,0,0]=3 24504 B17R2.193 Cc1ccc(cc1Br)NCc2ccccn2 207a_100000736455_100000209966 [0,2,0,0,0,0|2,0,0]=4 24505 B17R2.193 Cc1ccc(cc1Br)NCc2ccccn2 2230a_100000736455_100000721315 [0,2,0,0,0,0|2,0,0]=4 24506 B17R2.193 Cc1ccc(cc1Br)NCc2ccccn2 270302a_100000736455_100000209966 [0,2,0,0,0,0|2,0,0]=4 24507 B17R2.193 Cc1ccc(cc1Br)NCc2ccccn2 34a_100000736455_100000721315 [0,2,0,0,0,0|2,0,0]=4 24508 B17R2.193 Cc1ccc(cc1Br)NCc2ccccn2 7a_100000736455_100000721315 [0,2,0,0,0,0|2,0,0]=4 24509 B17R2.193 Cc1ccc(cc1Br)NCc2cccnc2 207a_100000736455_100000209961 [0,2,0,0,0,0|0,0,0]=2 24510 B17R2.193 Cc1ccc(cc1Br)NCc2cccnc2 2230a_100000736455_100000741622 [0,2,0,0,0,0|0,0,0]=2 24511 B17R2.193 Cc1ccc(cc1Br)NCc2cccnc2 270302a_100000736455_100000209961 [0,2,0,0,0,0|0,0,0]=2 24512 B17R2.193 Cc1ccc(cc1Br)NCc2cccnc2 34a_100000736455_100000733263 [0,2,0,0,0,0|0,0,0]=2 24513 B17R2.193 Cc1ccc(cc1Br)NCc2cccnc2 7a_100000736455_100000741622 [0,2,0,0,0,0|0,0,0]=2 24514 B17R2.193 Cc1ccc(cc1Br)NCc2cccnn2 2230a_100000736455_100016990269 [0,2,0,0,0,0|1,0,0]=3 24515 B17R2.193 Cc1ccc(cc1Br)NCc2cccnn2 34a_100000736455_100016990269 [0,2,0,0,0,0|1,0,0]=3 24516 B17R2.193 Cc1ccc(cc1Br)NCc2cccnn2 7a_100000736455_100016990269 [0,2,0,0,0,0|1,0,0]=3 24517 B17R2.193 Cc1ccc(cc1Br)NCc2ccncc2 207a_100000736455_100000186114 [0,2,0,0,0,0|2,0,0]=4 24518 B17R2.193 Cc1ccc(cc1Br)NCc2ccncc2 2230a_100000736455_100015193705 [0,2,0,0,0,0|2,0,0]=4 24519 B17R2.193 Cc1ccc(cc1Br)NCc2ccncc2 7a_100000736455_100015193705 [0,2,0,0,0,0|2,0,0]=4 24520 B17R2.193 Cc1ccc(cc1Br)NCc2ccnnc2 270302a_100000736455_100011934578 [0,2,0,0,0,0|1,0,0]=3 24521 B17R2.193 Cc1ccc(cc1Br)NCc2cnccn2 2230a_100000736455_100016995436 [0,2,0,0,0,0|1,0,0]=3 24522 B17R2.193 Cc1ccc(cc1Br)NCc2cnccn2 34a_100000736455_100016995436 [0,2,0,0,0,0|1,0,0]=3 24523 B17R2.193 Cc1ccc(cc1Br)NCc2cnccn2 7a_100000736455_100016995436 [0,2,0,0,0,0|1,0,0]=3 24524 B17R2.193 Cc1ccc(cc1Br)NCc2cncnc2 2230a_100000736455_100015196519 [0,2,0,0,0,0|1,0,0]=3 24525 B17R2.193 Cc1ccc(cc1Br)NCc2cncnc2 270302a_100000736455_100000749868 [0,2,0,0,0,0|1,0,0]=3 24526 B17R2.193 Cc1ccc(cc1Br)NCc2cncnc2 34a_100000736455_100015196519 [0,2,0,0,0,0|1,0,0]=3 24527 B17R2.193 Cc1ccc(cc1Br)NCc2cncnc2 7a_100000736455_100015196519 [0,2,0,0,0,0|1,0,0]=3 24528 B17R2.193 Cc1ccc(cc1Br)OCc2ccccc2 34a_100011380479_100015291786 [0,2,0,0,0,0|2,0,0]=4 24529 B17R2.193 Cc1ccc(cc1Br)OCc2ccccc2 7a_100011380479_100000211182 [0,2,0,0,0,0|2,0,0]=4 24530 B17R2.193 Cc1ccc(cc1Br)OCc2cccnc2 34a_100011380479_100000733263 [0,2,0,0,0,0|1,0,0]=3 24531 B17R2.193 Cc1ccc(cc1Br)OCc2cccnc2 7a_100011380479_100000741622 [0,2,0,0,0,0|1,0,0]=3 24532 B17R2.193 Cc1ccc(cc1Br)OCc2cccnn2 34a_100011380479_100016990269 [0,2,0,0,0,0|2,0,0]=4 24533 B17R2.193 Cc1ccc(cc1Br)OCc2cccnn2 7a_100011380479_100016990269 [0,2,0,0,0,0|2,0,0]=4 24534 B17R2.193 Cc1ccc(cc1Br)OCc2cnccn2 34a_100011380479_100016995436 [0,2,0,0,0,0|2,0,0]=4 24535 B17R2.193 Cc1ccc(cc1Br)OCc2cnccn2 7a_100011380479_100016995436 [0,2,0,0,0,0|2,0,0]=4 24536 B17R2.193 Cc1ccc(cc1Br)OCc2cncnc2 34a_100011380479_100015196519 [0,2,0,0,0,0|2,0,0]=4 24537 B17R2.193 Cc1ccc(cc1Br)OCc2cncnc2 7a_100011380479_100015196519 [0,2,0,0,0,0|2,0,0]=4 24538 B17R2.193 Cc1ccc(cc1Br)SCc2ccccc2 62a_100000211182_100011847877 [0,2,0,0,0,0|2,0,0]=4 24539 B17R2.193 Cc1ccc(cc1Br)SCc2ccccc2 62a_100011847877_100015291786 [0,2,0,0,0,0|2,0,0]=4 24540 B17R2.193 Cc1ccc(cc1Br)SCc2cccnc2 62a_100000741622_100011847877 [0,2,0,0,0,0|1,0,0]=3 24541 B17R2.193 Cc1ccc(cc1Br)SCc2cccnc2 62a_100011847877_100000741622 [0,2,0,0,0,0|1,0,0]=3 24542 B17R2.193 Cc1ccc(cc1Br)SCc2cccnn2 62a_100011847877_100016990269 [0,2,0,0,0,0|2,0,0]=4 24543 B17R2.193 Cc1ccc(cc1Br)SCc2cccnn2 62a_100016990269_100011847877 [0,2,0,0,0,0|2,0,0]=4 24544 B17R2.193 Cc1ccc(cc1Br)SCc2cnccn2 62a_100011847877_100016995436 [0,2,0,0,0,0|2,0,0]=4 24545 B17R2.193 Cc1ccc(cc1Br)SCc2cnccn2 62a_100016995436_100011847877 [0,2,0,0,0,0|2,0,0]=4 24546 B17R2.193 Cc1ccc(cc1Br)SCc2cncnc2 62a_100011847877_100015196519 [0,2,0,0,0,0|2,0,0]=4 24547 B17R2.193 Cc1ccc(cc1Br)SCc2cncnc2 62a_100015196519_100011847877 [0,2,0,0,0,0|2,0,0]=4 24548 B17R2.193 Cc1ccc(cc1C)C=Cc2cccnc2 271570a_100102525586_100011215607 [0,2,0,0,0,0|1,0,1]=4 24549 B17R2.193 Cc1ccc(cc1C)CNc2ccccc2 207a_100000106764_100000229942 [0,2,0,0,0,0|1,0,0]=3 24550 B17R2.193 Cc1ccc(cc1C)CNc2ccccc2 270302a_100000106764_100000229942 [0,2,0,0,0,0|1,0,0]=3 24551 B17R2.193 Cc1ccc(cc1C)CNc2ccccc2 34a_100000106764_100000742320 [0,2,0,0,0,0|1,0,0]=3 24552 B17R2.193 Cc1ccc(cc1C)COc2ccccc2 34a_100000210340_100000742320 [0,2,0,0,0,0|2,0,0]=4 24553 B17R2.193 Cc1ccc(cc1C)COc2ccccc2 7a_100000210340_100000742320 [0,2,0,0,0,0|2,0,0]=4 24554 B17R2.193 Cc1ccc(cc1C)COc2cccnc2 34a_100000210849_100000742320 [0,2,0,0,0,0|2,0,0]=4 24555 B17R2.193 Cc1ccc(cc1C)COc2cccnc2 7a_100000210849_100000742320 [0,2,0,0,0,0|2,0,0]=4 24556 B17R2.193 Cc1ccc(cc1C)CSc2ccccc2 62a_100000719477_100000742320 [0,2,0,0,0,0|2,0,0]=4 24557 B17R2.193 Cc1ccc(cc1C)CSc2ccccc2 62a_100000742320_100000041952 [0,2,0,0,0,0|2,0,0]=4 24558 B17R2.193 Cc1ccc(cc1C)CSc2cccnc2 62a_100000210063_100000742320 [0,2,0,0,0,0|2,0,0]=4 24559 B17R2.193 Cc1ccc(cc1C)CSc2cccnc2 62a_100000742320_100000210063 [0,2,0,0,0,0|2,0,0]=4 24560 B17R2.193 Cc1ccc(cc1C)NCc2ccccc2 207a_100000724040_100015611070 [0,2,0,0,0,0|1,0,0]=3 24561 B17R2.193 Cc1ccc(cc1C)NCc2ccccc2 2230a_100000724040_100015291786 [0,2,0,0,0,0|1,0,0]=3 24562 B17R2.193 Cc1ccc(cc1C)NCc2ccccc2 270302a_100000724040_100015611070 [0,2,0,0,0,0|1,0,0]=3 24563 B17R2.193 Cc1ccc(cc1C)NCc2ccccc2 34a_100000724040_100015291786 [0,2,0,0,0,0|1,0,0]=3 24564 B17R2.193 Cc1ccc(cc1C)NCc2ccccc2 7a_100000724040_100000211182 [0,2,0,0,0,0|1,0,0]=3 24565 B17R2.193 Cc1ccc(cc1C)NCc2ccccn2 207a_100000724040_100000209966 [0,2,0,0,0,0|2,0,0]=4 24566 B17R2.193 Cc1ccc(cc1C)NCc2ccccn2 2230a_100000724040_100000721315 [0,2,0,0,0,0|2,0,0]=4 24567 B17R2.193 Cc1ccc(cc1C)NCc2ccccn2 270302a_100000724040_100000209966 [0,2,0,0,0,0|2,0,0]=4 24568 B17R2.193 Cc1ccc(cc1C)NCc2ccccn2 34a_100000724040_100000721315 [0,2,0,0,0,0|2,0,0]=4 24569 B17R2.193 Cc1ccc(cc1C)NCc2ccccn2 7a_100000724040_100000721315 [0,2,0,0,0,0|2,0,0]=4 24570 B17R2.193 Cc1ccc(cc1C)NCc2cccnc2 207a_100000724040_100000209961 [0,2,0,0,0,0|0,0,0]=2 24571 B17R2.193 Cc1ccc(cc1C)NCc2cccnc2 2230a_100000724040_100000741622 [0,2,0,0,0,0|0,0,0]=2 24572 B17R2.193 Cc1ccc(cc1C)NCc2cccnc2 270302a_100000724040_100000209961 [0,2,0,0,0,0|0,0,0]=2 24573 B17R2.193 Cc1ccc(cc1C)NCc2cccnc2 34a_100000724040_100000733263 [0,2,0,0,0,0|0,0,0]=2 24574 B17R2.193 Cc1ccc(cc1C)NCc2cccnc2 7a_100000724040_100000741622 [0,2,0,0,0,0|0,0,0]=2 24575 B17R2.193 Cc1ccc(cc1C)NCc2cccnn2 2230a_100000724040_100016990269 [0,2,0,0,0,0|1,0,0]=3 24576 B17R2.193 Cc1ccc(cc1C)NCc2cccnn2 34a_100000724040_100016990269 [0,2,0,0,0,0|1,0,0]=3 24577 B17R2.193 Cc1ccc(cc1C)NCc2cccnn2 7a_100000724040_100016990269 [0,2,0,0,0,0|1,0,0]=3 24578 B17R2.193 Cc1ccc(cc1C)NCc2ccncc2 207a_100000724040_100000186114 [0,2,0,0,0,0|2,0,0]=4 24579 B17R2.193 Cc1ccc(cc1C)NCc2ccncc2 2230a_100000724040_100015193705 [0,2,0,0,0,0|2,0,0]=4 24580 B17R2.193 Cc1ccc(cc1C)NCc2ccncc2 7a_100000724040_100015193705 [0,2,0,0,0,0|2,0,0]=4 24581 B17R2.193 Cc1ccc(cc1C)NCc2ccnnc2 270302a_100000724040_100011934578 [0,2,0,0,0,0|1,0,0]=3 24582 B17R2.193 Cc1ccc(cc1C)NCc2cnccn2 2230a_100000724040_100016995436 [0,2,0,0,0,0|1,0,0]=3 24583 B17R2.193 Cc1ccc(cc1C)NCc2cnccn2 34a_100000724040_100016995436 [0,2,0,0,0,0|1,0,0]=3 24584 B17R2.193 Cc1ccc(cc1C)NCc2cnccn2 7a_100000724040_100016995436 [0,2,0,0,0,0|1,0,0]=3 24585 B17R2.193 Cc1ccc(cc1C)NCc2cncnc2 2230a_100000724040_100015196519 [0,2,0,0,0,0|1,0,0]=3 24586 B17R2.193 Cc1ccc(cc1C)NCc2cncnc2 270302a_100000724040_100000749868 [0,2,0,0,0,0|1,0,0]=3 24587 B17R2.193 Cc1ccc(cc1C)NCc2cncnc2 34a_100000724040_100015196519 [0,2,0,0,0,0|1,0,0]=3 24588 B17R2.193 Cc1ccc(cc1C)NCc2cncnc2 7a_100000724040_100015196519 [0,2,0,0,0,0|1,0,0]=3 24589 B17R2.193 Cc1ccc(cc1C)OCc2ccccc2 34a_100000210932_100015291786 [0,2,0,0,0,0|2,0,0]=4 24590 B17R2.193 Cc1ccc(cc1C)OCc2ccccc2 7a_100000210932_100000211182 [0,2,0,0,0,0|2,0,0]=4 24591 B17R2.193 Cc1ccc(cc1C)OCc2cccnc2 34a_100000210932_100000733263 [0,2,0,0,0,0|1,0,0]=3 24592 B17R2.193 Cc1ccc(cc1C)OCc2cccnc2 7a_100000210932_100000741622 [0,2,0,0,0,0|1,0,0]=3 24593 B17R2.193 Cc1ccc(cc1C)OCc2cccnn2 34a_100000210932_100016990269 [0,2,0,0,0,0|2,0,0]=4 24594 B17R2.193 Cc1ccc(cc1C)OCc2cccnn2 7a_100000210932_100016990269 [0,2,0,0,0,0|2,0,0]=4 24595 B17R2.193 Cc1ccc(cc1C)OCc2cnccn2 34a_100000210932_100016995436 [0,2,0,0,0,0|2,0,0]=4 24596 B17R2.193 Cc1ccc(cc1C)OCc2cnccn2 7a_100000210932_100016995436 [0,2,0,0,0,0|2,0,0]=4 24597 B17R2.193 Cc1ccc(cc1C)OCc2cncnc2 34a_100000210932_100015196519 [0,2,0,0,0,0|2,0,0]=4 24598 B17R2.193 Cc1ccc(cc1C)OCc2cncnc2 7a_100000210932_100015196519 [0,2,0,0,0,0|2,0,0]=4 24599 B17R2.193 Cc1ccc(cc1C)SCc2ccccc2 62a_100000211182_100011215607 [0,2,0,0,0,0|2,0,0]=4 24600 B17R2.193 Cc1ccc(cc1C)SCc2ccccc2 62a_100011215607_100015291786 [0,2,0,0,0,0|2,0,0]=4 24601 B17R2.193 Cc1ccc(cc1C)SCc2cccnc2 62a_100000741622_100011215607 [0,2,0,0,0,0|1,0,0]=3 24602 B17R2.193 Cc1ccc(cc1C)SCc2cccnc2 62a_100011215607_100000741622 [0,2,0,0,0,0|1,0,0]=3 24603 B17R2.193 Cc1ccc(cc1C)SCc2cccnn2 62a_100011215607_100016990269 [0,2,0,0,0,0|2,0,0]=4 24604 B17R2.193 Cc1ccc(cc1C)SCc2cccnn2 62a_100016990269_100011215607 [0,2,0,0,0,0|2,0,0]=4 24605 B17R2.193 Cc1ccc(cc1C)SCc2cnccn2 62a_100011215607_100016995436 [0,2,0,0,0,0|2,0,0]=4 24606 B17R2.193 Cc1ccc(cc1C)SCc2cnccn2 62a_100016995436_100011215607 [0,2,0,0,0,0|2,0,0]=4 24607 B17R2.193 Cc1ccc(cc1C)SCc2cncnc2 62a_100011215607_100015196519 [0,2,0,0,0,0|2,0,0]=4 24608 B17R2.193 Cc1ccc(cc1C)SCc2cncnc2 62a_100015196519_100011215607 [0,2,0,0,0,0|2,0,0]=4 24609 B17R2.193 Cc1ccc(cc1Cl)C=Cc2cccnc2 271570a_100102525586_100011216363 [0,2,0,0,0,0|1,0,1]=4 24610 B17R2.193 Cc1ccc(cc1Cl)CNc2ccccc2 207a_100000106764_100000760539 [0,2,0,0,0,0|1,0,0]=3 24611 B17R2.193 Cc1ccc(cc1Cl)CNc2ccccc2 270302a_100000106764_100000760539 [0,2,0,0,0,0|1,0,0]=3 24612 B17R2.193 Cc1ccc(cc1Cl)CNc2ccccc2 34a_100000106764_100011823929 [0,2,0,0,0,0|1,0,0]=3 24613 B17R2.193 Cc1ccc(cc1Cl)COc2ccccc2 34a_100000210340_100011823929 [0,2,0,0,0,0|2,0,0]=4 24614 B17R2.193 Cc1ccc(cc1Cl)COc2ccccc2 7a_100000210340_100011823929 [0,2,0,0,0,0|2,0,0]=4 24615 B17R2.193 Cc1ccc(cc1Cl)COc2cccnc2 34a_100000210849_100011823929 [0,2,0,0,0,0|2,0,0]=4 24616 B17R2.193 Cc1ccc(cc1Cl)COc2cccnc2 7a_100000210849_100011823929 [0,2,0,0,0,0|2,0,0]=4 24617 B17R2.193 Cc1ccc(cc1Cl)CSc2ccccc2 62a_100000719477_100011823929 [0,2,0,0,0,0|2,0,0]=4 24618 B17R2.193 Cc1ccc(cc1Cl)CSc2ccccc2 62a_100011823929_100000041952 [0,2,0,0,0,0|2,0,0]=4 24619 B17R2.193 Cc1ccc(cc1Cl)CSc2cccnc2 62a_100000210063_100011823929 [0,2,0,0,0,0|2,0,0]=4 24620 B17R2.193 Cc1ccc(cc1Cl)CSc2cccnc2 62a_100011823929_100000210063 [0,2,0,0,0,0|2,0,0]=4 24621 B17R2.193 Cc1ccc(cc1Cl)NCc2ccccc2 207a_100000188892_100015611070 [0,2,0,0,0,0|1,0,0]=3 24622 B17R2.193 Cc1ccc(cc1Cl)NCc2ccccc2 2230a_100000188892_100015291786 [0,2,0,0,0,0|1,0,0]=3 24623 B17R2.193 Cc1ccc(cc1Cl)NCc2ccccc2 270302a_100000188892_100015611070 [0,2,0,0,0,0|1,0,0]=3 24624 B17R2.193 Cc1ccc(cc1Cl)NCc2ccccc2 34a_100000188892_100015291786 [0,2,0,0,0,0|1,0,0]=3 24625 B17R2.193 Cc1ccc(cc1Cl)NCc2ccccc2 7a_100000188892_100000211182 [0,2,0,0,0,0|1,0,0]=3 24626 B17R2.193 Cc1ccc(cc1Cl)NCc2ccccn2 207a_100000188892_100000209966 [0,2,0,0,0,0|2,0,0]=4 24627 B17R2.193 Cc1ccc(cc1Cl)NCc2ccccn2 2230a_100000188892_100000721315 [0,2,0,0,0,0|2,0,0]=4 24628 B17R2.193 Cc1ccc(cc1Cl)NCc2ccccn2 270302a_100000188892_100000209966 [0,2,0,0,0,0|2,0,0]=4 24629 B17R2.193 Cc1ccc(cc1Cl)NCc2ccccn2 34a_100000188892_100000721315 [0,2,0,0,0,0|2,0,0]=4 24630 B17R2.193 Cc1ccc(cc1Cl)NCc2ccccn2 7a_100000188892_100000721315 [0,2,0,0,0,0|2,0,0]=4 24631 B17R2.193 Cc1ccc(cc1Cl)NCc2cccnc2 207a_100000188892_100000209961 [0,2,0,0,0,0|0,0,0]=2 24632 B17R2.193 Cc1ccc(cc1Cl)NCc2cccnc2 2230a_100000188892_100000741622 [0,2,0,0,0,0|0,0,0]=2 24633 B17R2.193 Cc1ccc(cc1Cl)NCc2cccnc2 270302a_100000188892_100000209961 [0,2,0,0,0,0|0,0,0]=2 24634 B17R2.193 Cc1ccc(cc1Cl)NCc2cccnc2 34a_100000188892_100000733263 [0,2,0,0,0,0|0,0,0]=2 24635 B17R2.193 Cc1ccc(cc1Cl)NCc2cccnc2 7a_100000188892_100000741622 [0,2,0,0,0,0|0,0,0]=2 24636 B17R2.193 Cc1ccc(cc1Cl)NCc2cccnn2 2230a_100000188892_100016990269 [0,2,0,0,0,0|1,0,0]=3 24637 B17R2.193 Cc1ccc(cc1Cl)NCc2cccnn2 34a_100000188892_100016990269 [0,2,0,0,0,0|1,0,0]=3 24638 B17R2.193 Cc1ccc(cc1Cl)NCc2cccnn2 7a_100000188892_100016990269 [0,2,0,0,0,0|1,0,0]=3 24639 B17R2.193 Cc1ccc(cc1Cl)NCc2ccncc2 207a_100000188892_100000186114 [0,2,0,0,0,0|2,0,0]=4 24640 B17R2.193 Cc1ccc(cc1Cl)NCc2ccncc2 2230a_100000188892_100015193705 [0,2,0,0,0,0|2,0,0]=4 24641 B17R2.193 Cc1ccc(cc1Cl)NCc2ccncc2 7a_100000188892_100015193705 [0,2,0,0,0,0|2,0,0]=4 24642 B17R2.193 Cc1ccc(cc1Cl)NCc2ccnnc2 270302a_100000188892_100011934578 [0,2,0,0,0,0|1,0,0]=3 24643 B17R2.193 Cc1ccc(cc1Cl)NCc2cnccn2 2230a_100000188892_100016995436 [0,2,0,0,0,0|1,0,0]=3 24644 B17R2.193 Cc1ccc(cc1Cl)NCc2cnccn2 34a_100000188892_100016995436 [0,2,0,0,0,0|1,0,0]=3 24645 B17R2.193 Cc1ccc(cc1Cl)NCc2cnccn2 7a_100000188892_100016995436 [0,2,0,0,0,0|1,0,0]=3 24646 B17R2.193 Cc1ccc(cc1Cl)NCc2cncnc2 2230a_100000188892_100015196519 [0,2,0,0,0,0|1,0,0]=3 24647 B17R2.193 Cc1ccc(cc1Cl)NCc2cncnc2 270302a_100000188892_100000749868 [0,2,0,0,0,0|1,0,0]=3 24648 B17R2.193 Cc1ccc(cc1Cl)NCc2cncnc2 34a_100000188892_100015196519 [0,2,0,0,0,0|1,0,0]=3 24649 B17R2.193 Cc1ccc(cc1Cl)NCc2cncnc2 7a_100000188892_100015196519 [0,2,0,0,0,0|1,0,0]=3 24650 B17R2.193 Cc1ccc(cc1Cl)OCc2ccccc2 34a_100011265682_100015291786 [0,2,0,0,0,0|2,0,0]=4 24651 B17R2.193 Cc1ccc(cc1Cl)OCc2ccccc2 7a_100011265682_100000211182 [0,2,0,0,0,0|2,0,0]=4 24652 B17R2.193 Cc1ccc(cc1Cl)OCc2cccnc2 34a_100011265682_100000733263 [0,2,0,0,0,0|1,0,0]=3 24653 B17R2.193 Cc1ccc(cc1Cl)OCc2cccnc2 7a_100011265682_100000741622 [0,2,0,0,0,0|1,0,0]=3 24654 B17R2.193 Cc1ccc(cc1Cl)OCc2cccnn2 34a_100011265682_100016990269 [0,2,0,0,0,0|2,0,0]=4 24655 B17R2.193 Cc1ccc(cc1Cl)OCc2cccnn2 7a_100011265682_100016990269 [0,2,0,0,0,0|2,0,0]=4 24656 B17R2.193 Cc1ccc(cc1Cl)OCc2cnccn2 34a_100011265682_100016995436 [0,2,0,0,0,0|2,0,0]=4 24657 B17R2.193 Cc1ccc(cc1Cl)OCc2cnccn2 7a_100011265682_100016995436 [0,2,0,0,0,0|2,0,0]=4 24658 B17R2.193 Cc1ccc(cc1Cl)OCc2cncnc2 34a_100011265682_100015196519 [0,2,0,0,0,0|2,0,0]=4 24659 B17R2.193 Cc1ccc(cc1Cl)OCc2cncnc2 7a_100011265682_100015196519 [0,2,0,0,0,0|2,0,0]=4 24660 B17R2.193 Cc1ccc(cc1Cl)SCc2ccccc2 62a_100000211182_100011216363 [0,2,0,0,0,0|2,0,0]=4 24661 B17R2.193 Cc1ccc(cc1Cl)SCc2ccccc2 62a_100011216363_100015291786 [0,2,0,0,0,0|2,0,0]=4 24662 B17R2.193 Cc1ccc(cc1Cl)SCc2cccnc2 62a_100000741622_100011216363 [0,2,0,0,0,0|1,0,0]=3 24663 B17R2.193 Cc1ccc(cc1Cl)SCc2cccnc2 62a_100011216363_100000741622 [0,2,0,0,0,0|1,0,0]=3 24664 B17R2.193 Cc1ccc(cc1Cl)SCc2cccnn2 62a_100011216363_100016990269 [0,2,0,0,0,0|2,0,0]=4 24665 B17R2.193 Cc1ccc(cc1Cl)SCc2cccnn2 62a_100016990269_100011216363 [0,2,0,0,0,0|2,0,0]=4 24666 B17R2.193 Cc1ccc(cc1Cl)SCc2cnccn2 62a_100011216363_100016995436 [0,2,0,0,0,0|2,0,0]=4 24667 B17R2.193 Cc1ccc(cc1Cl)SCc2cnccn2 62a_100016995436_100011216363 [0,2,0,0,0,0|2,0,0]=4 24668 B17R2.193 Cc1ccc(cc1Cl)SCc2cncnc2 62a_100011216363_100015196519 [0,2,0,0,0,0|2,0,0]=4 24669 B17R2.193 Cc1ccc(cc1Cl)SCc2cncnc2 62a_100015196519_100011216363 [0,2,0,0,0,0|2,0,0]=4 24670 B17R2.193 Cc1ccc(cc1F)C=Cc2cccnc2 271570a_100102525586_100000720648 [0,2,0,0,0,0|1,0,1]=4 24671 B17R2.193 Cc1ccc(cc1F)CNc2ccccc2 207a_100000106764_100000753222 [0,2,0,0,0,0|1,0,0]=3 24672 B17R2.193 Cc1ccc(cc1F)CNc2ccccc2 270302a_100000106764_100000753222 [0,2,0,0,0,0|1,0,0]=3 24673 B17R2.193 Cc1ccc(cc1F)CNc2ccccc2 34a_100000106764_100011217369 [0,2,0,0,0,0|1,0,0]=3 24674 B17R2.193 Cc1ccc(cc1F)COc2ccccc2 34a_100000210340_100011217369 [0,2,0,0,0,0|2,0,0]=4 24675 B17R2.193 Cc1ccc(cc1F)COc2ccccc2 7a_100000210340_100011217369 [0,2,0,0,0,0|2,0,0]=4 24676 B17R2.193 Cc1ccc(cc1F)COc2cccnc2 34a_100000210849_100011217369 [0,2,0,0,0,0|2,0,0]=4 24677 B17R2.193 Cc1ccc(cc1F)COc2cccnc2 7a_100000210849_100011217369 [0,2,0,0,0,0|2,0,0]=4 24678 B17R2.193 Cc1ccc(cc1F)CSc2ccccc2 62a_100000719477_100011217369 [0,2,0,0,0,0|2,0,0]=4 24679 B17R2.193 Cc1ccc(cc1F)CSc2ccccc2 62a_100011217369_100000041952 [0,2,0,0,0,0|2,0,0]=4 24680 B17R2.193 Cc1ccc(cc1F)CSc2cccnc2 62a_100000210063_100011217369 [0,2,0,0,0,0|2,0,0]=4 24681 B17R2.193 Cc1ccc(cc1F)CSc2cccnc2 62a_100011217369_100000210063 [0,2,0,0,0,0|2,0,0]=4 24682 B17R2.193 Cc1ccc(cc1F)NCc2ccccc2 207a_100000210958_100015611070 [0,2,0,0,0,0|1,0,0]=3 24683 B17R2.193 Cc1ccc(cc1F)NCc2ccccc2 2230a_100000210958_100015291786 [0,2,0,0,0,0|1,0,0]=3 24684 B17R2.193 Cc1ccc(cc1F)NCc2ccccc2 270302a_100000210958_100015611070 [0,2,0,0,0,0|1,0,0]=3 24685 B17R2.193 Cc1ccc(cc1F)NCc2ccccc2 34a_100000210958_100015291786 [0,2,0,0,0,0|1,0,0]=3 24686 B17R2.193 Cc1ccc(cc1F)NCc2ccccc2 7a_100000210958_100000211182 [0,2,0,0,0,0|1,0,0]=3 24687 B17R2.193 Cc1ccc(cc1F)NCc2ccccn2 207a_100000210958_100000209966 [0,2,0,0,0,0|2,0,0]=4 24688 B17R2.193 Cc1ccc(cc1F)NCc2ccccn2 2230a_100000210958_100000721315 [0,2,0,0,0,0|2,0,0]=4 24689 B17R2.193 Cc1ccc(cc1F)NCc2ccccn2 270302a_100000210958_100000209966 [0,2,0,0,0,0|2,0,0]=4 24690 B17R2.193 Cc1ccc(cc1F)NCc2ccccn2 34a_100000210958_100000721315 [0,2,0,0,0,0|2,0,0]=4 24691 B17R2.193 Cc1ccc(cc1F)NCc2ccccn2 7a_100000210958_100000721315 [0,2,0,0,0,0|2,0,0]=4 24692 B17R2.193 Cc1ccc(cc1F)NCc2cccnc2 207a_100000210958_100000209961 [0,2,0,0,0,0|0,0,0]=2 24693 B17R2.193 Cc1ccc(cc1F)NCc2cccnc2 2230a_100000210958_100000741622 [0,2,0,0,0,0|0,0,0]=2 24694 B17R2.193 Cc1ccc(cc1F)NCc2cccnc2 270302a_100000210958_100000209961 [0,2,0,0,0,0|0,0,0]=2 24695 B17R2.193 Cc1ccc(cc1F)NCc2cccnc2 34a_100000210958_100000733263 [0,2,0,0,0,0|0,0,0]=2 24696 B17R2.193 Cc1ccc(cc1F)NCc2cccnc2 7a_100000210958_100000741622 [0,2,0,0,0,0|0,0,0]=2 24697 B17R2.193 Cc1ccc(cc1F)NCc2cccnn2 2230a_100000210958_100016990269 [0,2,0,0,0,0|1,0,0]=3 24698 B17R2.193 Cc1ccc(cc1F)NCc2cccnn2 34a_100000210958_100016990269 [0,2,0,0,0,0|1,0,0]=3 24699 B17R2.193 Cc1ccc(cc1F)NCc2cccnn2 7a_100000210958_100016990269 [0,2,0,0,0,0|1,0,0]=3 24700 B17R2.193 Cc1ccc(cc1F)NCc2ccncc2 207a_100000210958_100000186114 [0,2,0,0,0,0|2,0,0]=4 24701 B17R2.193 Cc1ccc(cc1F)NCc2ccncc2 2230a_100000210958_100015193705 [0,2,0,0,0,0|2,0,0]=4 24702 B17R2.193 Cc1ccc(cc1F)NCc2ccncc2 7a_100000210958_100015193705 [0,2,0,0,0,0|2,0,0]=4 24703 B17R2.193 Cc1ccc(cc1F)NCc2ccnnc2 270302a_100000210958_100011934578 [0,2,0,0,0,0|1,0,0]=3 24704 B17R2.193 Cc1ccc(cc1F)NCc2cnccn2 2230a_100000210958_100016995436 [0,2,0,0,0,0|1,0,0]=3 24705 B17R2.193 Cc1ccc(cc1F)NCc2cnccn2 34a_100000210958_100016995436 [0,2,0,0,0,0|1,0,0]=3 24706 B17R2.193 Cc1ccc(cc1F)NCc2cnccn2 7a_100000210958_100016995436 [0,2,0,0,0,0|1,0,0]=3 24707 B17R2.193 Cc1ccc(cc1F)NCc2cncnc2 2230a_100000210958_100015196519 [0,2,0,0,0,0|1,0,0]=3 24708 B17R2.193 Cc1ccc(cc1F)NCc2cncnc2 270302a_100000210958_100000749868 [0,2,0,0,0,0|1,0,0]=3 24709 B17R2.193 Cc1ccc(cc1F)NCc2cncnc2 34a_100000210958_100015196519 [0,2,0,0,0,0|1,0,0]=3 24710 B17R2.193 Cc1ccc(cc1F)NCc2cncnc2 7a_100000210958_100015196519 [0,2,0,0,0,0|1,0,0]=3 24711 B17R2.193 Cc1ccc(cc1F)OCc2ccccc2 34a_100000722560_100015291786 [0,2,0,0,0,0|2,0,0]=4 24712 B17R2.193 Cc1ccc(cc1F)OCc2ccccc2 7a_100000722560_100000211182 [0,2,0,0,0,0|2,0,0]=4 24713 B17R2.193 Cc1ccc(cc1F)OCc2cccnc2 34a_100000722560_100000733263 [0,2,0,0,0,0|1,0,0]=3 24714 B17R2.193 Cc1ccc(cc1F)OCc2cccnc2 7a_100000722560_100000741622 [0,2,0,0,0,0|1,0,0]=3 24715 B17R2.193 Cc1ccc(cc1F)OCc2cccnn2 34a_100000722560_100016990269 [0,2,0,0,0,0|2,0,0]=4 24716 B17R2.193 Cc1ccc(cc1F)OCc2cccnn2 7a_100000722560_100016990269 [0,2,0,0,0,0|2,0,0]=4 24717 B17R2.193 Cc1ccc(cc1F)OCc2cnccn2 34a_100000722560_100016995436 [0,2,0,0,0,0|2,0,0]=4 24718 B17R2.193 Cc1ccc(cc1F)OCc2cnccn2 7a_100000722560_100016995436 [0,2,0,0,0,0|2,0,0]=4 24719 B17R2.193 Cc1ccc(cc1F)OCc2cncnc2 34a_100000722560_100015196519 [0,2,0,0,0,0|2,0,0]=4 24720 B17R2.193 Cc1ccc(cc1F)OCc2cncnc2 7a_100000722560_100015196519 [0,2,0,0,0,0|2,0,0]=4 24721 B17R2.193 Cc1ccc(cc1F)SCc2ccccc2 62a_100000211182_100000720648 [0,2,0,0,0,0|2,0,0]=4 24722 B17R2.193 Cc1ccc(cc1F)SCc2ccccc2 62a_100000720648_100015291786 [0,2,0,0,0,0|2,0,0]=4 24723 B17R2.193 Cc1ccc(cc1F)SCc2cccnc2 62a_100000720648_100000741622 [0,2,0,0,0,0|1,0,0]=3 24724 B17R2.193 Cc1ccc(cc1F)SCc2cccnc2 62a_100000741622_100000720648 [0,2,0,0,0,0|1,0,0]=3 24725 B17R2.193 Cc1ccc(cc1F)SCc2cccnn2 62a_100000720648_100016990269 [0,2,0,0,0,0|2,0,0]=4 24726 B17R2.193 Cc1ccc(cc1F)SCc2cccnn2 62a_100016990269_100000720648 [0,2,0,0,0,0|2,0,0]=4 24727 B17R2.193 Cc1ccc(cc1F)SCc2cnccn2 62a_100000720648_100016995436 [0,2,0,0,0,0|2,0,0]=4 24728 B17R2.193 Cc1ccc(cc1F)SCc2cnccn2 62a_100016995436_100000720648 [0,2,0,0,0,0|2,0,0]=4 24729 B17R2.193 Cc1ccc(cc1F)SCc2cncnc2 62a_100000720648_100015196519 [0,2,0,0,0,0|2,0,0]=4 24730 B17R2.193 Cc1ccc(cc1F)SCc2cncnc2 62a_100015196519_100000720648 [0,2,0,0,0,0|2,0,0]=4 24731 B17R2.193 Cc1ccc(cc1I)CNc2ccccc2 207a_100000106764_100010197721 [0,2,0,0,0,0|1,0,0]=3 24732 B17R2.193 Cc1ccc(cc1I)CNc2ccccc2 270302a_100000106764_100010197721 [0,2,0,0,0,0|1,0,0]=3 24733 B17R2.193 Cc1ccc(cc1I)CNc2ccccc2 34a_100000106764_100010206137 [0,2,0,0,0,0|1,0,0]=3 24734 B17R2.193 Cc1ccc(cc1I)COc2ccccc2 34a_100000210340_100010206137 [0,2,0,0,0,0|2,0,0]=4 24735 B17R2.193 Cc1ccc(cc1I)COc2ccccc2 7a_100000210340_100010206137 [0,2,0,0,0,0|2,0,0]=4 24736 B17R2.193 Cc1ccc(cc1I)COc2cccnc2 34a_100000210849_100010206137 [0,2,0,0,0,0|2,0,0]=4 24737 B17R2.193 Cc1ccc(cc1I)COc2cccnc2 7a_100000210849_100010206137 [0,2,0,0,0,0|2,0,0]=4 24738 B17R2.193 Cc1ccc(cc1I)CSc2ccccc2 62a_100000719477_100010206137 [0,2,0,0,0,0|2,0,0]=4 24739 B17R2.193 Cc1ccc(cc1I)CSc2ccccc2 62a_100010206137_100000041952 [0,2,0,0,0,0|2,0,0]=4 24740 B17R2.193 Cc1ccc(cc1I)CSc2cccnc2 62a_100000210063_100010206137 [0,2,0,0,0,0|2,0,0]=4 24741 B17R2.193 Cc1ccc(cc1I)CSc2cccnc2 62a_100010206137_100000210063 [0,2,0,0,0,0|2,0,0]=4 24742 B17R2.193 Cc1ccc(cc1I)NCc2ccccc2 207a_100000184131_100015611070 [0,2,0,0,0,0|1,0,0]=3 24743 B17R2.193 Cc1ccc(cc1I)NCc2ccccc2 270302a_100000184131_100015611070 [0,2,0,0,0,0|1,0,0]=3 24744 B17R2.193 Cc1ccc(cc1I)NCc2ccccc2 34a_100000184131_100015291786 [0,2,0,0,0,0|1,0,0]=3 24745 B17R2.193 Cc1ccc(cc1I)NCc2ccccc2 7a_100000184131_100000211182 [0,2,0,0,0,0|1,0,0]=3 24746 B17R2.193 Cc1ccc(cc1I)NCc2ccccn2 207a_100000184131_100000209966 [0,2,0,0,0,0|2,0,0]=4 24747 B17R2.193 Cc1ccc(cc1I)NCc2ccccn2 270302a_100000184131_100000209966 [0,2,0,0,0,0|2,0,0]=4 24748 B17R2.193 Cc1ccc(cc1I)NCc2ccccn2 34a_100000184131_100000721315 [0,2,0,0,0,0|2,0,0]=4 24749 B17R2.193 Cc1ccc(cc1I)NCc2ccccn2 7a_100000184131_100000721315 [0,2,0,0,0,0|2,0,0]=4 24750 B17R2.193 Cc1ccc(cc1I)NCc2cccnc2 207a_100000184131_100000209961 [0,2,0,0,0,0|0,0,0]=2 24751 B17R2.193 Cc1ccc(cc1I)NCc2cccnc2 270302a_100000184131_100000209961 [0,2,0,0,0,0|0,0,0]=2 24752 B17R2.193 Cc1ccc(cc1I)NCc2cccnc2 34a_100000184131_100000733263 [0,2,0,0,0,0|0,0,0]=2 24753 B17R2.193 Cc1ccc(cc1I)NCc2cccnc2 7a_100000184131_100000741622 [0,2,0,0,0,0|0,0,0]=2 24754 B17R2.193 Cc1ccc(cc1I)NCc2cccnn2 34a_100000184131_100016990269 [0,2,0,0,0,0|1,0,0]=3 24755 B17R2.193 Cc1ccc(cc1I)NCc2cccnn2 7a_100000184131_100016990269 [0,2,0,0,0,0|1,0,0]=3 24756 B17R2.193 Cc1ccc(cc1I)NCc2ccncc2 207a_100000184131_100000186114 [0,2,0,0,0,0|2,0,0]=4 24757 B17R2.193 Cc1ccc(cc1I)NCc2ccncc2 7a_100000184131_100015193705 [0,2,0,0,0,0|2,0,0]=4 24758 B17R2.193 Cc1ccc(cc1I)NCc2ccnnc2 270302a_100000184131_100011934578 [0,2,0,0,0,0|1,0,0]=3 24759 B17R2.193 Cc1ccc(cc1I)NCc2cnccn2 34a_100000184131_100016995436 [0,2,0,0,0,0|1,0,0]=3 24760 B17R2.193 Cc1ccc(cc1I)NCc2cnccn2 7a_100000184131_100016995436 [0,2,0,0,0,0|1,0,0]=3 24761 B17R2.193 Cc1ccc(cc1I)NCc2cncnc2 270302a_100000184131_100000749868 [0,2,0,0,0,0|1,0,0]=3 24762 B17R2.193 Cc1ccc(cc1I)NCc2cncnc2 34a_100000184131_100015196519 [0,2,0,0,0,0|1,0,0]=3 24763 B17R2.193 Cc1ccc(cc1I)NCc2cncnc2 7a_100000184131_100015196519 [0,2,0,0,0,0|1,0,0]=3 24764 B17R2.193 Cc1ccc(cc1N)C=Cc2cccnc2 271570a_100102525586_100000761890 [0,2,0,0,0,0|1,0,1]=4 24765 B17R2.193 Cc1ccc(cc1N)OCc2ccccc2 34a_100011216113_100015291786 [0,2,0,0,0,0|2,0,0]=4 24766 B17R2.193 Cc1ccc(cc1N)OCc2ccccc2 7a_100011216113_100000211182 [0,2,0,0,0,0|2,0,0]=4 24767 B17R2.193 Cc1ccc(cc1N)OCc2cccnc2 34a_100011216113_100000733263 [0,2,0,0,0,0|1,0,0]=3 24768 B17R2.193 Cc1ccc(cc1N)OCc2cccnc2 7a_100011216113_100000741622 [0,2,0,0,0,0|1,0,0]=3 24769 B17R2.193 Cc1ccc(cc1N)OCc2cccnn2 34a_100011216113_100016990269 [0,2,0,0,0,0|2,0,0]=4 24770 B17R2.193 Cc1ccc(cc1N)OCc2cccnn2 7a_100011216113_100016990269 [0,2,0,0,0,0|2,0,0]=4 24771 B17R2.193 Cc1ccc(cc1N)OCc2cnccn2 34a_100011216113_100016995436 [0,2,0,0,0,0|2,0,0]=4 24772 B17R2.193 Cc1ccc(cc1N)OCc2cnccn2 7a_100011216113_100016995436 [0,2,0,0,0,0|2,0,0]=4 24773 B17R2.193 Cc1ccc(cc1N)OCc2cncnc2 34a_100011216113_100015196519 [0,2,0,0,0,0|2,0,0]=4 24774 B17R2.193 Cc1ccc(cc1N)OCc2cncnc2 7a_100011216113_100015196519 [0,2,0,0,0,0|2,0,0]=4 24775 B17R2.193 Cc1ccc(cc1N)SCc2ccccc2 62a_100000211182_100000761890 [0,2,0,0,0,0|2,0,0]=4 24776 B17R2.193 Cc1ccc(cc1N)SCc2ccccc2 62a_100000761890_100015291786 [0,2,0,0,0,0|2,0,0]=4 24777 B17R2.193 Cc1ccc(cc1N)SCc2cccnc2 62a_100000741622_100000761890 [0,2,0,0,0,0|1,0,0]=3 24778 B17R2.193 Cc1ccc(cc1N)SCc2cccnc2 62a_100000761890_100000741622 [0,2,0,0,0,0|1,0,0]=3 24779 B17R2.193 Cc1ccc(cc1N)SCc2cccnn2 62a_100000761890_100016990269 [0,2,0,0,0,0|2,0,0]=4 24780 B17R2.193 Cc1ccc(cc1N)SCc2cccnn2 62a_100016990269_100000761890 [0,2,0,0,0,0|2,0,0]=4 24781 B17R2.193 Cc1ccc(cc1N)SCc2cnccn2 62a_100000761890_100016995436 [0,2,0,0,0,0|2,0,0]=4 24782 B17R2.193 Cc1ccc(cc1N)SCc2cnccn2 62a_100016995436_100000761890 [0,2,0,0,0,0|2,0,0]=4 24783 B17R2.193 Cc1ccc(cc1N)SCc2cncnc2 62a_100000761890_100015196519 [0,2,0,0,0,0|2,0,0]=4 24784 B17R2.193 Cc1ccc(cc1N)SCc2cncnc2 62a_100015196519_100000761890 [0,2,0,0,0,0|2,0,0]=4 24785 B17R2.193 Cc1ccc(cc1O)C=Cc2cccnc2 271570a_100102525586_100000766334 [0,2,0,0,0,0|1,0,1]=4 24786 B17R2.193 Cc1ccc(cc1O)NCc2ccccc2 270302a_100000759471_100015611070 [0,2,0,0,0,0|1,0,0]=3 24787 B17R2.193 Cc1ccc(cc1O)NCc2ccccc2 34a_100000759471_100015291786 [0,2,0,0,0,0|1,0,0]=3 24788 B17R2.193 Cc1ccc(cc1O)NCc2ccccc2 7a_100000759471_100000211182 [0,2,0,0,0,0|1,0,0]=3 24789 B17R2.193 Cc1ccc(cc1O)NCc2ccccn2 270302a_100000759471_100000209966 [0,2,0,0,0,0|2,0,0]=4 24790 B17R2.193 Cc1ccc(cc1O)NCc2ccccn2 34a_100000759471_100000721315 [0,2,0,0,0,0|2,0,0]=4 24791 B17R2.193 Cc1ccc(cc1O)NCc2ccccn2 7a_100000759471_100000721315 [0,2,0,0,0,0|2,0,0]=4 24792 B17R2.193 Cc1ccc(cc1O)NCc2cccnc2 270302a_100000759471_100000209961 [0,2,0,0,0,0|0,0,0]=2 24793 B17R2.193 Cc1ccc(cc1O)NCc2cccnc2 34a_100000759471_100000733263 [0,2,0,0,0,0|0,0,0]=2 24794 B17R2.193 Cc1ccc(cc1O)NCc2cccnc2 7a_100000759471_100000741622 [0,2,0,0,0,0|0,0,0]=2 24795 B17R2.193 Cc1ccc(cc1O)NCc2cccnn2 34a_100000759471_100016990269 [0,2,0,0,0,0|1,0,0]=3 24796 B17R2.193 Cc1ccc(cc1O)NCc2cccnn2 7a_100000759471_100016990269 [0,2,0,0,0,0|1,0,0]=3 24797 B17R2.193 Cc1ccc(cc1O)NCc2ccncc2 7a_100000759471_100015193705 [0,2,0,0,0,0|2,0,0]=4 24798 B17R2.193 Cc1ccc(cc1O)NCc2ccnnc2 270302a_100000759471_100011934578 [0,2,0,0,0,0|1,0,0]=3 24799 B17R2.193 Cc1ccc(cc1O)NCc2cnccn2 34a_100000759471_100016995436 [0,2,0,0,0,0|1,0,0]=3 24800 B17R2.193 Cc1ccc(cc1O)NCc2cnccn2 7a_100000759471_100016995436 [0,2,0,0,0,0|1,0,0]=3 24801 B17R2.193 Cc1ccc(cc1O)NCc2cncnc2 270302a_100000759471_100000749868 [0,2,0,0,0,0|1,0,0]=3 24802 B17R2.193 Cc1ccc(cc1O)NCc2cncnc2 34a_100000759471_100015196519 [0,2,0,0,0,0|1,0,0]=3 24803 B17R2.193 Cc1ccc(cc1O)NCc2cncnc2 7a_100000759471_100015196519 [0,2,0,0,0,0|1,0,0]=3 24804 B17R2.193 Cc1ccc(cc1O)OCc2ccccc2 271570a_203496583355_200010204193 [0,2,0,0,0,0|2,0,0]=4 24805 B17R2.193 Cc1ccc(cc1O)SCc2ccccc2 62a_100000211182_100000685420 [0,2,0,0,0,0|2,0,0]=4 24806 B17R2.193 Cc1ccc(cc1O)SCc2ccccc2 62a_100000685420_100015291786 [0,2,0,0,0,0|2,0,0]=4 24807 B17R2.193 Cc1ccc(cc1O)SCc2cccnc2 62a_100000685420_100000741622 [0,2,0,0,0,0|1,0,0]=3 24808 B17R2.193 Cc1ccc(cc1O)SCc2cccnc2 62a_100000741622_100000685420 [0,2,0,0,0,0|1,0,0]=3 24809 B17R2.193 Cc1ccc(cc1O)SCc2cccnn2 62a_100000685420_100016990269 [0,2,0,0,0,0|2,0,0]=4 24810 B17R2.193 Cc1ccc(cc1O)SCc2cccnn2 62a_100016990269_100000685420 [0,2,0,0,0,0|2,0,0]=4 24811 B17R2.193 Cc1ccc(cc1O)SCc2cnccn2 62a_100000685420_100016995436 [0,2,0,0,0,0|2,0,0]=4 24812 B17R2.193 Cc1ccc(cc1O)SCc2cnccn2 62a_100016995436_100000685420 [0,2,0,0,0,0|2,0,0]=4 24813 B17R2.193 Cc1ccc(cc1O)SCc2cncnc2 62a_100000685420_100015196519 [0,2,0,0,0,0|2,0,0]=4 24814 B17R2.193 Cc1ccc(cc1O)SCc2cncnc2 62a_100015196519_100000685420 [0,2,0,0,0,0|2,0,0]=4 24815 B17R2.193 Cc1ccc(nc1C)SCc2cccnc2 62a_100000103781_100000741622 [0,2,0,0,0,0|2,0,0]=4 24816 B17R2.193 Cc1ccc(nc1C)SCc2cccnc2 62a_100000741622_100000103781 [0,2,0,0,0,0|2,0,0]=4 24817 B17R2.193 Cc1ccc(nc1N)SCc2cccnc2 62a_100000741622_100009857032 [0,2,0,0,0,0|2,0,0]=4 24818 B17R2.193 Cc1ccc(nc1N)SCc2cccnc2 62a_100009857032_100000741622 [0,2,0,0,0,0|2,0,0]=4 24819 B17R2.193 Cc1cnc(cc1Br)CNc2ccccc2 207a_100000106764_100010174032 [0,2,0,0,0,0|2,0,0]=4 24820 B17R2.193 Cc1cnc(cc1Br)OCc2cccnc2 34a_100009831917_100000733263 [0,2,0,0,0,0|2,0,0]=4 24821 B17R2.193 Cc1cnc(cc1C)SCc2cccnc2 62a_100000741622_100009850809 [0,2,0,0,0,0|2,0,0]=4 24822 B17R2.193 Cc1cnc(cc1C)SCc2cccnc2 62a_100009850809_100000741622 [0,2,0,0,0,0|2,0,0]=4 24823 B17R2.193 Cc1cnc(cc1F)NCc2ccccc2 27a_100015324214_100009841206 [0,2,0,0,0,0|2,0,0]=4 24824 B17R2.193 Cc1cnc(cc1F)NCc2cccnc2 27a_100000210453_100009841206 [0,2,0,0,0,0|1,0,0]=3 24825 B17R2.193 Cc1cnc(cc1F)NCc2cccnn2 27a_100159270163_100009841206 [0,2,0,0,0,0|2,0,0]=4 24826 B17R2.193 Cc1cnc(cc1F)NCc2cnccn2 27a_100000737960_100009841206 [0,2,0,0,0,0|2,0,0]=4 24827 B17R2.193 Cc1cnc(cc1F)NCc2cncnc2 27a_100011243677_100009841206 [0,2,0,0,0,0|2,0,0]=4 24828 B17R2.193 Cc1cnc(cc1F)SCc2cccnc2 62a_100000741622_100009841206 [0,2,0,0,0,0|2,0,0]=4 24829 B17R2.193 Cc1cnc(cc1F)SCc2cccnc2 62a_100009841206_100000741622 [0,2,0,0,0,0|2,0,0]=4 24830 B17R2.193 Cc1cnc(cc1N)SCc2cccnc2 62a_100000126663_100000741622 [0,2,0,0,0,0|2,0,0]=4 24831 B17R2.193 Cc1cnc(cc1N)SCc2cccnc2 62a_100000741622_100000126663 [0,2,0,0,0,0|2,0,0]=4 24832 B17R2.193 Cc1cnc(cc1O)SCc2cccnc2 62a_100000704368_100000741622 [0,2,0,0,0,0|2,0,0]=4 24833 B17R2.193 Cc1cnc(cc1O)SCc2cccnc2 62a_100000741622_100000704368 [0,2,0,0,0,0|2,0,0]=4 24834 B17R2.193 Cc1cnc(nc1N)NCc2cccnc2 27a_100000210453_100011996698 [0,2,0,0,0,0|2,0,0]=4 24835 B17R2.193 Cc1nc(ccc1Br)CNc2ccccc2 207a_100000106764_100010238520 [0,2,0,0,0,0|2,0,0]=4 24836 B17R2.193 Cc1nc(ccc1Br)OCc2cccnc2 34a_100000691680_100000733263 [0,2,0,0,0,0|2,0,0]=4 24837 B17R2.193 Cc1nc(ccc1Br)SCc2cccnc2 62a_100000741622_100012360386 [0,2,0,0,0,0|2,0,0]=4 24838 B17R2.193 Cc1nc(ccc1Br)SCc2cccnc2 62a_100012360386_100000741622 [0,2,0,0,0,0|2,0,0]=4 24839 B17R2.193 Cc1nc(ccc1Cl)OCc2cccnc2 34a_200009863735_100000733263 [0,2,0,0,0,0|2,0,0]=4 24840 B17R2.193 Cc1nc(ccc1F)SCc2cccnc2 62a_100000741622_100009814307 [0,2,0,0,0,0|2,0,0]=4 24841 B17R2.193 Cc1nc(ccc1F)SCc2cccnc2 62a_100009814307_100000741622 [0,2,0,0,0,0|2,0,0]=4 24842 B17R2.193 Cc1nc(ccc1N)SCc2cccnc2 62a_100000720120_100000741622 [0,2,0,0,0,0|2,0,0]=4 24843 B17R2.193 Cc1nc(ccc1N)SCc2cccnc2 62a_100000741622_100000720120 [0,2,0,0,0,0|2,0,0]=4 24844 B17R2.193 Cc1nc(ccc1O)SCc2cccnc2 62a_100000741622_100010233687 [0,2,0,0,0,0|2,0,0]=4 24845 B17R2.193 Cc1nc(ccc1O)SCc2cccnc2 62a_100010233687_100000741622 [0,2,0,0,0,0|2,0,0]=4 24846 B17R2.193 Cc1nc(ncc1Cl)NCc2cccnc2 27a_100000210453_100010174973 [0,2,0,0,0,0|2,0,0]=4 24847 B17R2.193 Cc1nc(ncc1F)NCc2cccnc2 27a_100000210453_100015641512 [0,2,0,0,0,0|2,0,0]=4 24848 B17R2.193 Cc1nc(ncc1N)NCc2cccnc2 27a_100000210453_100000123670 [0,2,0,0,0,0|2,0,0]=4 24849 B17R2.193 Cc1ncc(cc1Br)OCc2ccccc2 34a_100009819603_100015291786 [0,2,0,0,0,0|2,0,0]=4 24850 B17R2.193 Cc1ncc(cc1Br)OCc2ccccc2 7a_100009819603_100000211182 [0,2,0,0,0,0|2,0,0]=4 24851 B17R2.193 Cc1ncc(cc1Br)OCc2cccnc2 34a_100009819603_100000733263 [0,2,0,0,0,0|2,0,0]=4 24852 B17R2.193 Cc1ncc(cc1Br)OCc2cccnc2 7a_100009819603_100000741622 [0,2,0,0,0,0|2,0,0]=4 24853 B17R2.193 Cc1ncc(cc1F)C#Cc2ccccc2 271570a_100000069678_100009845756 [0,2,0,0,0,0|1,0,1]=4 24854 B17R2.193 Cc1ncc(cc1F)C=Cc2ccccc2 271570a_100102527694_100009845756 [0,2,0,0,0,0|1,0,1]=4 24855 B17R2.193 Cc1ncc(cc1F)SCc2ccccc2 62a_100000211182_100009845756 [0,2,0,0,0,0|2,0,0]=4 24856 B17R2.193 Cc1ncc(cc1F)SCc2ccccc2 62a_100009845756_100015291786 [0,2,0,0,0,0|2,0,0]=4 24857 B17R2.193 Cc1ncc(cc1F)SCc2cccnc2 62a_100000741622_100009845756 [0,2,0,0,0,0|2,0,0]=4 24858 B17R2.193 Cc1ncc(cc1F)SCc2cccnc2 62a_100009845756_100000741622 [0,2,0,0,0,0|2,0,0]=4 24859 B17R2.193 Cc1ncc(cc1N)C#Cc2ccccc2 271570a_100000069678_100011999542 [0,2,0,0,0,0|1,0,1]=4 24860 B17R2.193 Cc1ncc(cc1N)C=Cc2ccccc2 271570a_100102527694_100011999542 [0,2,0,0,0,0|1,0,1]=4 24861 B17R2.193 Cc1ncc(cc1N)SCc2ccccc2 62a_100000211182_100011999542 [0,2,0,0,0,0|2,0,0]=4 24862 B17R2.193 Cc1ncc(cc1N)SCc2ccccc2 62a_100011999542_100015291786 [0,2,0,0,0,0|2,0,0]=4 24863 B17R2.193 Cc1ncc(cc1N)SCc2cccnc2 62a_100000741622_100011999542 [0,2,0,0,0,0|2,0,0]=4 24864 B17R2.193 Cc1ncc(cc1N)SCc2cccnc2 62a_100011999542_100000741622 [0,2,0,0,0,0|2,0,0]=4 24865 B17R2.193 Cc1ncc(cc1O)C#Cc2ccccc2 271570a_100000069678_100009864810 [0,2,0,0,0,0|1,0,1]=4 24866 B17R2.193 Cc1ncc(cc1O)C=Cc2ccccc2 271570a_100102527694_100009864810 [0,2,0,0,0,0|1,0,1]=4 24867 B17R2.193 Cc1ncc(cc1O)SCc2ccccc2 62a_100000211182_100009864810 [0,2,0,0,0,0|2,0,0]=4 24868 B17R2.193 Cc1ncc(cc1O)SCc2ccccc2 62a_100009864810_100015291786 [0,2,0,0,0,0|2,0,0]=4 24869 B17R2.193 Cc1ncc(cc1O)SCc2cccnc2 62a_100000741622_100009864810 [0,2,0,0,0,0|2,0,0]=4 24870 B17R2.193 Cc1ncc(cc1O)SCc2cccnc2 62a_100009864810_100000741622 [0,2,0,0,0,0|2,0,0]=4 24871 B17R2.193 Cc1ncc(nc1C)NCc2cccnc2 27a_100000210453_100009878948 [0,2,0,0,0,0|2,0,0]=4 24872 B17R2.193 Clc1cc(ccc1Br)C=Cc2cccnc2 271570a_100102525586_100012047281 [0,2,0,0,0,0|1,0,1]=4 24873 B17R2.193 Clc1cc(ccc1Br)CNc2ccccc2 207a_100000106764_100000690054 [0,2,0,0,0,0|1,0,0]=3 24874 B17R2.193 Clc1cc(ccc1Br)CNc2ccccc2 270302a_100000106764_100000690054 [0,2,0,0,0,0|1,0,0]=3 24875 B17R2.193 Clc1cc(ccc1Br)CNc2ccccc2 34a_100000106764_100012353895 [0,2,0,0,0,0|1,0,0]=3 24876 B17R2.193 Clc1cc(ccc1Br)COc2ccccc2 34a_100000210340_100012353895 [0,2,0,0,0,0|2,0,0]=4 24877 B17R2.193 Clc1cc(ccc1Br)COc2ccccc2 7a_100000210340_100012353895 [0,2,0,0,0,0|2,0,0]=4 24878 B17R2.193 Clc1cc(ccc1Br)COc2cccnc2 34a_100000210849_100012353895 [0,2,0,0,0,0|2,0,0]=4 24879 B17R2.193 Clc1cc(ccc1Br)COc2cccnc2 7a_100000210849_100012353895 [0,2,0,0,0,0|2,0,0]=4 24880 B17R2.193 Clc1cc(ccc1Br)CSc2ccccc2 62a_100000719477_100012353895 [0,2,0,0,0,0|2,0,0]=4 24881 B17R2.193 Clc1cc(ccc1Br)CSc2ccccc2 62a_100012353895_100000041952 [0,2,0,0,0,0|2,0,0]=4 24882 B17R2.193 Clc1cc(ccc1Br)CSc2cccnc2 62a_100000210063_100012353895 [0,2,0,0,0,0|2,0,0]=4 24883 B17R2.193 Clc1cc(ccc1Br)CSc2cccnc2 62a_100012353895_100000210063 [0,2,0,0,0,0|2,0,0]=4 24884 B17R2.193 Clc1cc(ccc1Br)NCc2ccccc2 207a_100000687081_100015611070 [0,2,0,0,0,0|1,0,0]=3 24885 B17R2.193 Clc1cc(ccc1Br)NCc2ccccc2 2230a_100000687081_100015291786 [0,2,0,0,0,0|1,0,0]=3 24886 B17R2.193 Clc1cc(ccc1Br)NCc2ccccc2 270302a_100000687081_100015611070 [0,2,0,0,0,0|1,0,0]=3 24887 B17R2.193 Clc1cc(ccc1Br)NCc2ccccc2 34a_100000687081_100015291786 [0,2,0,0,0,0|1,0,0]=3 24888 B17R2.193 Clc1cc(ccc1Br)NCc2ccccc2 7a_100000687081_100000211182 [0,2,0,0,0,0|1,0,0]=3 24889 B17R2.193 Clc1cc(ccc1Br)NCc2ccccn2 207a_100000687081_100000209966 [0,2,0,0,0,0|2,0,0]=4 24890 B17R2.193 Clc1cc(ccc1Br)NCc2ccccn2 2230a_100000687081_100000721315 [0,2,0,0,0,0|2,0,0]=4 24891 B17R2.193 Clc1cc(ccc1Br)NCc2ccccn2 270302a_100000687081_100000209966 [0,2,0,0,0,0|2,0,0]=4 24892 B17R2.193 Clc1cc(ccc1Br)NCc2ccccn2 34a_100000687081_100000721315 [0,2,0,0,0,0|2,0,0]=4 24893 B17R2.193 Clc1cc(ccc1Br)NCc2ccccn2 7a_100000687081_100000721315 [0,2,0,0,0,0|2,0,0]=4 24894 B17R2.193 Clc1cc(ccc1Br)NCc2cccnc2 207a_100000687081_100000209961 [0,2,0,0,0,0|0,0,0]=2 24895 B17R2.193 Clc1cc(ccc1Br)NCc2cccnc2 2230a_100000687081_100000741622 [0,2,0,0,0,0|0,0,0]=2 24896 B17R2.193 Clc1cc(ccc1Br)NCc2cccnc2 270302a_100000687081_100000209961 [0,2,0,0,0,0|0,0,0]=2 24897 B17R2.193 Clc1cc(ccc1Br)NCc2cccnc2 34a_100000687081_100000733263 [0,2,0,0,0,0|0,0,0]=2 24898 B17R2.193 Clc1cc(ccc1Br)NCc2cccnc2 7a_100000687081_100000741622 [0,2,0,0,0,0|0,0,0]=2 24899 B17R2.193 Clc1cc(ccc1Br)NCc2cccnn2 2230a_100000687081_100016990269 [0,2,0,0,0,0|1,0,0]=3 24900 B17R2.193 Clc1cc(ccc1Br)NCc2cccnn2 34a_100000687081_100016990269 [0,2,0,0,0,0|1,0,0]=3 24901 B17R2.193 Clc1cc(ccc1Br)NCc2cccnn2 7a_100000687081_100016990269 [0,2,0,0,0,0|1,0,0]=3 24902 B17R2.193 Clc1cc(ccc1Br)NCc2ccncc2 207a_100000687081_100000186114 [0,2,0,0,0,0|2,0,0]=4 24903 B17R2.193 Clc1cc(ccc1Br)NCc2ccncc2 2230a_100000687081_100015193705 [0,2,0,0,0,0|2,0,0]=4 24904 B17R2.193 Clc1cc(ccc1Br)NCc2ccncc2 7a_100000687081_100015193705 [0,2,0,0,0,0|2,0,0]=4 24905 B17R2.193 Clc1cc(ccc1Br)NCc2ccnnc2 270302a_100000687081_100011934578 [0,2,0,0,0,0|1,0,0]=3 24906 B17R2.193 Clc1cc(ccc1Br)NCc2cnccn2 2230a_100000687081_100016995436 [0,2,0,0,0,0|1,0,0]=3 24907 B17R2.193 Clc1cc(ccc1Br)NCc2cnccn2 34a_100000687081_100016995436 [0,2,0,0,0,0|1,0,0]=3 24908 B17R2.193 Clc1cc(ccc1Br)NCc2cnccn2 7a_100000687081_100016995436 [0,2,0,0,0,0|1,0,0]=3 24909 B17R2.193 Clc1cc(ccc1Br)NCc2cncnc2 2230a_100000687081_100015196519 [0,2,0,0,0,0|1,0,0]=3 24910 B17R2.193 Clc1cc(ccc1Br)NCc2cncnc2 270302a_100000687081_100000749868 [0,2,0,0,0,0|1,0,0]=3 24911 B17R2.193 Clc1cc(ccc1Br)NCc2cncnc2 34a_100000687081_100015196519 [0,2,0,0,0,0|1,0,0]=3 24912 B17R2.193 Clc1cc(ccc1Br)NCc2cncnc2 7a_100000687081_100015196519 [0,2,0,0,0,0|1,0,0]=3 24913 B17R2.193 Clc1cc(ccc1Br)OCc2ccccc2 34a_100011215161_100015291786 [0,2,0,0,0,0|2,0,0]=4 24914 B17R2.193 Clc1cc(ccc1Br)OCc2ccccc2 7a_100011215161_100000211182 [0,2,0,0,0,0|2,0,0]=4 24915 B17R2.193 Clc1cc(ccc1Br)OCc2cccnc2 34a_100011215161_100000733263 [0,2,0,0,0,0|1,0,0]=3 24916 B17R2.193 Clc1cc(ccc1Br)OCc2cccnc2 7a_100011215161_100000741622 [0,2,0,0,0,0|1,0,0]=3 24917 B17R2.193 Clc1cc(ccc1Br)OCc2cccnn2 34a_100011215161_100016990269 [0,2,0,0,0,0|2,0,0]=4 24918 B17R2.193 Clc1cc(ccc1Br)OCc2cccnn2 7a_100011215161_100016990269 [0,2,0,0,0,0|2,0,0]=4 24919 B17R2.193 Clc1cc(ccc1Br)OCc2cnccn2 34a_100011215161_100016995436 [0,2,0,0,0,0|2,0,0]=4 24920 B17R2.193 Clc1cc(ccc1Br)OCc2cnccn2 7a_100011215161_100016995436 [0,2,0,0,0,0|2,0,0]=4 24921 B17R2.193 Clc1cc(ccc1Br)OCc2cncnc2 34a_100011215161_100015196519 [0,2,0,0,0,0|2,0,0]=4 24922 B17R2.193 Clc1cc(ccc1Br)OCc2cncnc2 7a_100011215161_100015196519 [0,2,0,0,0,0|2,0,0]=4 24923 B17R2.193 Clc1cc(ccc1Br)SCc2ccccc2 62a_100000211182_100012047281 [0,2,0,0,0,0|2,0,0]=4 24924 B17R2.193 Clc1cc(ccc1Br)SCc2ccccc2 62a_100012047281_100015291786 [0,2,0,0,0,0|2,0,0]=4 24925 B17R2.193 Clc1cc(ccc1Br)SCc2cccnc2 62a_100000741622_100012047281 [0,2,0,0,0,0|1,0,0]=3 24926 B17R2.193 Clc1cc(ccc1Br)SCc2cccnc2 62a_100012047281_100000741622 [0,2,0,0,0,0|1,0,0]=3 24927 B17R2.193 Clc1cc(ccc1Br)SCc2cccnn2 62a_100012047281_100016990269 [0,2,0,0,0,0|2,0,0]=4 24928 B17R2.193 Clc1cc(ccc1Br)SCc2cccnn2 62a_100016990269_100012047281 [0,2,0,0,0,0|2,0,0]=4 24929 B17R2.193 Clc1cc(ccc1Br)SCc2cnccn2 62a_100012047281_100016995436 [0,2,0,0,0,0|2,0,0]=4 24930 B17R2.193 Clc1cc(ccc1Br)SCc2cnccn2 62a_100016995436_100012047281 [0,2,0,0,0,0|2,0,0]=4 24931 B17R2.193 Clc1cc(ccc1Br)SCc2cncnc2 62a_100012047281_100015196519 [0,2,0,0,0,0|2,0,0]=4 24932 B17R2.193 Clc1cc(ccc1Br)SCc2cncnc2 62a_100015196519_100012047281 [0,2,0,0,0,0|2,0,0]=4 24933 B17R2.193 Clc1cc(ccc1I)CNc2ccccc2 34a_100000106764_100012349665 [0,2,0,0,0,0|1,0,0]=3 24934 B17R2.193 Clc1cc(ccc1I)COc2ccccc2 34a_100000210340_100012349665 [0,2,0,0,0,0|2,0,0]=4 24935 B17R2.193 Clc1cc(ccc1I)COc2ccccc2 7a_100000210340_100012349665 [0,2,0,0,0,0|2,0,0]=4 24936 B17R2.193 Clc1cc(ccc1I)COc2cccnc2 34a_100000210849_100012349665 [0,2,0,0,0,0|2,0,0]=4 24937 B17R2.193 Clc1cc(ccc1I)COc2cccnc2 7a_100000210849_100012349665 [0,2,0,0,0,0|2,0,0]=4 24938 B17R2.193 Clc1cc(ccc1I)CSc2ccccc2 62a_100000719477_100012349665 [0,2,0,0,0,0|2,0,0]=4 24939 B17R2.193 Clc1cc(ccc1I)CSc2ccccc2 62a_100012349665_100000041952 [0,2,0,0,0,0|2,0,0]=4 24940 B17R2.193 Clc1cc(ccc1I)CSc2cccnc2 62a_100000210063_100012349665 [0,2,0,0,0,0|2,0,0]=4 24941 B17R2.193 Clc1cc(ccc1I)CSc2cccnc2 62a_100012349665_100000210063 [0,2,0,0,0,0|2,0,0]=4 24942 B17R2.193 Clc1cc(ccc1I)NCc2ccccc2 207a_100000761885_100015611070 [0,2,0,0,0,0|1,0,0]=3 24943 B17R2.193 Clc1cc(ccc1I)NCc2ccccc2 270302a_100000761885_100015611070 [0,2,0,0,0,0|1,0,0]=3 24944 B17R2.193 Clc1cc(ccc1I)NCc2ccccc2 34a_100000761885_100015291786 [0,2,0,0,0,0|1,0,0]=3 24945 B17R2.193 Clc1cc(ccc1I)NCc2ccccn2 207a_100000761885_100000209966 [0,2,0,0,0,0|2,0,0]=4 24946 B17R2.193 Clc1cc(ccc1I)NCc2ccccn2 270302a_100000761885_100000209966 [0,2,0,0,0,0|2,0,0]=4 24947 B17R2.193 Clc1cc(ccc1I)NCc2ccccn2 34a_100000761885_100000721315 [0,2,0,0,0,0|2,0,0]=4 24948 B17R2.193 Clc1cc(ccc1I)NCc2cccnc2 207a_100000761885_100000209961 [0,2,0,0,0,0|0,0,0]=2 24949 B17R2.193 Clc1cc(ccc1I)NCc2cccnc2 270302a_100000761885_100000209961 [0,2,0,0,0,0|0,0,0]=2 24950 B17R2.193 Clc1cc(ccc1I)NCc2cccnc2 34a_100000761885_100000733263 [0,2,0,0,0,0|0,0,0]=2 24951 B17R2.193 Clc1cc(ccc1I)NCc2cccnn2 34a_100000761885_100016990269 [0,2,0,0,0,0|1,0,0]=3 24952 B17R2.193 Clc1cc(ccc1I)NCc2ccncc2 207a_100000761885_100000186114 [0,2,0,0,0,0|2,0,0]=4 24953 B17R2.193 Clc1cc(ccc1I)NCc2ccnnc2 270302a_100000761885_100011934578 [0,2,0,0,0,0|1,0,0]=3 24954 B17R2.193 Clc1cc(ccc1I)NCc2cnccn2 34a_100000761885_100016995436 [0,2,0,0,0,0|1,0,0]=3 24955 B17R2.193 Clc1cc(ccc1I)NCc2cncnc2 270302a_100000761885_100000749868 [0,2,0,0,0,0|1,0,0]=3 24956 B17R2.193 Clc1cc(ccc1I)NCc2cncnc2 34a_100000761885_100015196519 [0,2,0,0,0,0|1,0,0]=3 24957 B17R2.193 Clc1cc(ccc1I)OCc2ccccc2 34a_100000047559_100015291786 [0,2,0,0,0,0|2,0,0]=4 24958 B17R2.193 Clc1cc(ccc1I)OCc2ccccc2 7a_100000047559_100000211182 [0,2,0,0,0,0|2,0,0]=4 24959 B17R2.193 Clc1cc(ccc1I)OCc2cccnc2 34a_100000047559_100000733263 [0,2,0,0,0,0|1,0,0]=3 24960 B17R2.193 Clc1cc(ccc1I)OCc2cccnc2 7a_100000047559_100000741622 [0,2,0,0,0,0|1,0,0]=3 24961 B17R2.193 Clc1cc(ccc1I)OCc2cccnn2 34a_100000047559_100016990269 [0,2,0,0,0,0|2,0,0]=4 24962 B17R2.193 Clc1cc(ccc1I)OCc2cccnn2 7a_100000047559_100016990269 [0,2,0,0,0,0|2,0,0]=4 24963 B17R2.193 Clc1cc(ccc1I)OCc2cnccn2 34a_100000047559_100016995436 [0,2,0,0,0,0|2,0,0]=4 24964 B17R2.193 Clc1cc(ccc1I)OCc2cnccn2 7a_100000047559_100016995436 [0,2,0,0,0,0|2,0,0]=4 24965 B17R2.193 Clc1cc(ccc1I)OCc2cncnc2 34a_100000047559_100015196519 [0,2,0,0,0,0|2,0,0]=4 24966 B17R2.193 Clc1cc(ccc1I)OCc2cncnc2 7a_100000047559_100015196519 [0,2,0,0,0,0|2,0,0]=4 24967 B17R2.193 Clc1cc(cnc1Br)OCc2ccccc2 34a_100010209684_100015291786 [0,2,0,0,0,0|2,0,0]=4 24968 B17R2.193 Clc1cc(cnc1Br)OCc2ccccc2 7a_100010209684_100000211182 [0,2,0,0,0,0|2,0,0]=4 24969 B17R2.193 Clc1cc(cnc1Br)OCc2cccnc2 34a_100010209684_100000733263 [0,2,0,0,0,0|2,0,0]=4 24970 B17R2.193 Clc1cc(cnc1Br)OCc2cccnc2 7a_100010209684_100000741622 [0,2,0,0,0,0|2,0,0]=4 24971 B17R2.193 Clc1cc(cnc1Cl)CNc2ccccc2 270302a_100000106764_100000088269 [0,2,0,0,0,0|0,0,0]=2 24972 B17R2.193 Clc1cc(cnc1Cl)CNc2ccccc2 34a_100000106764_100009843750 [0,2,0,0,0,0|0,0,0]=2 24973 B17R2.193 Clc1cc(cnc1Cl)COc2ccccc2 34a_100000210340_100009843750 [0,2,0,0,0,0|1,0,0]=3 24974 B17R2.193 Clc1cc(cnc1Cl)COc2ccccc2 7a_100000210340_100009843750 [0,2,0,0,0,0|1,0,0]=3 24975 B17R2.193 Clc1cc(cnc1Cl)COc2cccnc2 34a_100000210849_100009843750 [0,2,0,0,0,0|2,0,0]=4 24976 B17R2.193 Clc1cc(cnc1Cl)COc2cccnc2 7a_100000210849_100009843750 [0,2,0,0,0,0|2,0,0]=4 24977 B17R2.193 Clc1cc(cnc1Cl)COc2ccncc2 34a_100000212176_100009843750 [0,2,0,0,0,0|2,0,0]=4 24978 B17R2.193 Clc1cc(cnc1Cl)CSc2ccccc2 62a_100000719477_100009843750 [0,2,0,0,0,0|1,0,0]=3 24979 B17R2.193 Clc1cc(cnc1Cl)CSc2ccccc2 62a_100009843750_100000041952 [0,2,0,0,0,0|1,0,0]=3 24980 B17R2.193 Clc1cc(cnc1Cl)CSc2ccccn2 62a_100009843750_100011216584 [0,2,0,0,0,0|2,0,0]=4 24981 B17R2.193 Clc1cc(cnc1Cl)CSc2ccccn2 62a_100011216584_100009843750 [0,2,0,0,0,0|2,0,0]=4 24982 B17R2.193 Clc1cc(cnc1Cl)CSc2cccnc2 62a_100000210063_100009843750 [0,2,0,0,0,0|2,0,0]=4 24983 B17R2.193 Clc1cc(cnc1Cl)CSc2cccnc2 62a_100009843750_100000210063 [0,2,0,0,0,0|2,0,0]=4 24984 B17R2.193 Clc1cc(cnc1Cl)CSc2ccncc2 62a_100000728582_100009843750 [0,2,0,0,0,0|2,0,0]=4 24985 B17R2.193 Clc1cc(cnc1Cl)CSc2ccncc2 62a_100009843750_100000728582 [0,2,0,0,0,0|2,0,0]=4 24986 B17R2.193 Clc1cc(cnc1Cl)OCc2ccccc2 34a_100000094354_100015291786 [0,2,0,0,0,0|2,0,0]=4 24987 B17R2.193 Clc1cc(cnc1Cl)OCc2ccccc2 7a_100000094354_100000211182 [0,2,0,0,0,0|2,0,0]=4 24988 B17R2.193 Clc1cc(cnc1Cl)OCc2cccnc2 34a_100000094354_100000733263 [0,2,0,0,0,0|2,0,0]=4 24989 B17R2.193 Clc1cc(cnc1Cl)OCc2cccnc2 7a_100000094354_100000741622 [0,2,0,0,0,0|2,0,0]=4 24990 B17R2.193 Clc1cc(ncc1Br)OCc2cccnc2 34a_100010369989_100000733263 [0,2,0,0,0,0|2,0,0]=4 24991 B17R2.193 Clc1ccc(cc1Br)C=Cc2cccnc2 271570a_100102525586_100012353702 [0,2,0,0,0,0|1,0,1]=4 24992 B17R2.193 Clc1ccc(cc1Br)CNc2ccccc2 207a_100000106764_100000693810 [0,2,0,0,0,0|1,0,0]=3 24993 B17R2.193 Clc1ccc(cc1Br)CNc2ccccc2 270302a_100000106764_100000693810 [0,2,0,0,0,0|1,0,0]=3 24994 B17R2.193 Clc1ccc(cc1Br)CNc2ccccc2 34a_100000106764_100012353894 [0,2,0,0,0,0|1,0,0]=3 24995 B17R2.193 Clc1ccc(cc1Br)COc2ccccc2 34a_100000210340_100012353894 [0,2,0,0,0,0|2,0,0]=4 24996 B17R2.193 Clc1ccc(cc1Br)COc2ccccc2 7a_100000210340_100012353894 [0,2,0,0,0,0|2,0,0]=4 24997 B17R2.193 Clc1ccc(cc1Br)COc2cccnc2 34a_100000210849_100012353894 [0,2,0,0,0,0|2,0,0]=4 24998 B17R2.193 Clc1ccc(cc1Br)COc2cccnc2 7a_100000210849_100012353894 [0,2,0,0,0,0|2,0,0]=4 24999 B17R2.193 Clc1ccc(cc1Br)CSc2ccccc2 62a_100000719477_100012353894 [0,2,0,0,0,0|2,0,0]=4 25000 B17R2.193 Clc1ccc(cc1Br)CSc2ccccc2 62a_100012353894_100000041952 [0,2,0,0,0,0|2,0,0]=4 25001 B17R2.193 Clc1ccc(cc1Br)CSc2cccnc2 62a_100000210063_100012353894 [0,2,0,0,0,0|2,0,0]=4 25002 B17R2.193 Clc1ccc(cc1Br)CSc2cccnc2 62a_100012353894_100000210063 [0,2,0,0,0,0|2,0,0]=4 25003 B17R2.193 Clc1ccc(cc1Br)NCc2ccccc2 207a_100000686031_100015611070 [0,2,0,0,0,0|1,0,0]=3 25004 B17R2.193 Clc1ccc(cc1Br)NCc2ccccc2 2230a_100000686031_100015291786 [0,2,0,0,0,0|1,0,0]=3 25005 B17R2.193 Clc1ccc(cc1Br)NCc2ccccc2 270302a_100000686031_100015611070 [0,2,0,0,0,0|1,0,0]=3 25006 B17R2.193 Clc1ccc(cc1Br)NCc2ccccc2 34a_100000686031_100015291786 [0,2,0,0,0,0|1,0,0]=3 25007 B17R2.193 Clc1ccc(cc1Br)NCc2ccccn2 207a_100000686031_100000209966 [0,2,0,0,0,0|2,0,0]=4 25008 B17R2.193 Clc1ccc(cc1Br)NCc2ccccn2 2230a_100000686031_100000721315 [0,2,0,0,0,0|2,0,0]=4 25009 B17R2.193 Clc1ccc(cc1Br)NCc2ccccn2 270302a_100000686031_100000209966 [0,2,0,0,0,0|2,0,0]=4 25010 B17R2.193 Clc1ccc(cc1Br)NCc2ccccn2 34a_100000686031_100000721315 [0,2,0,0,0,0|2,0,0]=4 25011 B17R2.193 Clc1ccc(cc1Br)NCc2cccnc2 207a_100000686031_100000209961 [0,2,0,0,0,0|0,0,0]=2 25012 B17R2.193 Clc1ccc(cc1Br)NCc2cccnc2 2230a_100000686031_100000741622 [0,2,0,0,0,0|0,0,0]=2 25013 B17R2.193 Clc1ccc(cc1Br)NCc2cccnc2 270302a_100000686031_100000209961 [0,2,0,0,0,0|0,0,0]=2 25014 B17R2.193 Clc1ccc(cc1Br)NCc2cccnc2 34a_100000686031_100000733263 [0,2,0,0,0,0|0,0,0]=2 25015 B17R2.193 Clc1ccc(cc1Br)NCc2cccnn2 2230a_100000686031_100016990269 [0,2,0,0,0,0|1,0,0]=3 25016 B17R2.193 Clc1ccc(cc1Br)NCc2cccnn2 34a_100000686031_100016990269 [0,2,0,0,0,0|1,0,0]=3 25017 B17R2.193 Clc1ccc(cc1Br)NCc2ccncc2 207a_100000686031_100000186114 [0,2,0,0,0,0|2,0,0]=4 25018 B17R2.193 Clc1ccc(cc1Br)NCc2ccncc2 2230a_100000686031_100015193705 [0,2,0,0,0,0|2,0,0]=4 25019 B17R2.193 Clc1ccc(cc1Br)NCc2ccnnc2 270302a_100000686031_100011934578 [0,2,0,0,0,0|1,0,0]=3 25020 B17R2.193 Clc1ccc(cc1Br)NCc2cnccn2 2230a_100000686031_100016995436 [0,2,0,0,0,0|1,0,0]=3 25021 B17R2.193 Clc1ccc(cc1Br)NCc2cnccn2 34a_100000686031_100016995436 [0,2,0,0,0,0|1,0,0]=3 25022 B17R2.193 Clc1ccc(cc1Br)NCc2cncnc2 2230a_100000686031_100015196519 [0,2,0,0,0,0|1,0,0]=3 25023 B17R2.193 Clc1ccc(cc1Br)NCc2cncnc2 270302a_100000686031_100000749868 [0,2,0,0,0,0|1,0,0]=3 25024 B17R2.193 Clc1ccc(cc1Br)NCc2cncnc2 34a_100000686031_100015196519 [0,2,0,0,0,0|1,0,0]=3 25025 B17R2.193 Clc1ccc(cc1Br)OCc2ccccc2 34a_100011933957_100015291786 [0,2,0,0,0,0|2,0,0]=4 25026 B17R2.193 Clc1ccc(cc1Br)OCc2ccccc2 7a_100011933957_100000211182 [0,2,0,0,0,0|2,0,0]=4 25027 B17R2.193 Clc1ccc(cc1Br)OCc2cccnc2 34a_100011933957_100000733263 [0,2,0,0,0,0|1,0,0]=3 25028 B17R2.193 Clc1ccc(cc1Br)OCc2cccnc2 7a_100011933957_100000741622 [0,2,0,0,0,0|1,0,0]=3 25029 B17R2.193 Clc1ccc(cc1Br)OCc2cccnn2 34a_100011933957_100016990269 [0,2,0,0,0,0|2,0,0]=4 25030 B17R2.193 Clc1ccc(cc1Br)OCc2cccnn2 7a_100011933957_100016990269 [0,2,0,0,0,0|2,0,0]=4 25031 B17R2.193 Clc1ccc(cc1Br)OCc2cnccn2 34a_100011933957_100016995436 [0,2,0,0,0,0|2,0,0]=4 25032 B17R2.193 Clc1ccc(cc1Br)OCc2cnccn2 7a_100011933957_100016995436 [0,2,0,0,0,0|2,0,0]=4 25033 B17R2.193 Clc1ccc(cc1Br)OCc2cncnc2 34a_100011933957_100015196519 [0,2,0,0,0,0|2,0,0]=4 25034 B17R2.193 Clc1ccc(cc1Br)OCc2cncnc2 7a_100011933957_100015196519 [0,2,0,0,0,0|2,0,0]=4 25035 B17R2.193 Clc1ccc(cc1Br)SCc2ccccc2 62a_100000211182_100012353702 [0,2,0,0,0,0|2,0,0]=4 25036 B17R2.193 Clc1ccc(cc1Br)SCc2ccccc2 62a_100012353702_100015291786 [0,2,0,0,0,0|2,0,0]=4 25037 B17R2.193 Clc1ccc(cc1Br)SCc2cccnc2 62a_100000741622_100012353702 [0,2,0,0,0,0|1,0,0]=3 25038 B17R2.193 Clc1ccc(cc1Br)SCc2cccnc2 62a_100012353702_100000741622 [0,2,0,0,0,0|1,0,0]=3 25039 B17R2.193 Clc1ccc(cc1Br)SCc2cccnn2 62a_100012353702_100016990269 [0,2,0,0,0,0|2,0,0]=4 25040 B17R2.193 Clc1ccc(cc1Br)SCc2cccnn2 62a_100016990269_100012353702 [0,2,0,0,0,0|2,0,0]=4 25041 B17R2.193 Clc1ccc(cc1Br)SCc2cnccn2 62a_100012353702_100016995436 [0,2,0,0,0,0|2,0,0]=4 25042 B17R2.193 Clc1ccc(cc1Br)SCc2cnccn2 62a_100016995436_100012353702 [0,2,0,0,0,0|2,0,0]=4 25043 B17R2.193 Clc1ccc(cc1Br)SCc2cncnc2 62a_100012353702_100015196519 [0,2,0,0,0,0|2,0,0]=4 25044 B17R2.193 Clc1ccc(cc1Br)SCc2cncnc2 62a_100015196519_100012353702 [0,2,0,0,0,0|2,0,0]=4 25045 B17R2.193 Clc1ccc(cc1Cl)C=Cc2cccnc2 271570a_100102525586_100011214914 [0,2,0,0,0,0|1,0,1]=4 25046 B17R2.193 Clc1ccc(cc1Cl)CNc2ccccc2 207a_100000106764_100000188533 [0,2,0,0,0,0|1,0,0]=3 25047 B17R2.193 Clc1ccc(cc1Cl)CNc2ccccc2 270302a_100000106764_100000188533 [0,2,0,0,0,0|1,0,0]=3 25048 B17R2.193 Clc1ccc(cc1Cl)CNc2ccccc2 34a_100000106764_100000184707 [0,2,0,0,0,0|1,0,0]=3 25049 B17R2.193 Clc1ccc(cc1Cl)COc2ccccc2 34a_100000210340_100000184707 [0,2,0,0,0,0|2,0,0]=4 25050 B17R2.193 Clc1ccc(cc1Cl)COc2ccccc2 7a_100000210340_100000184707 [0,2,0,0,0,0|2,0,0]=4 25051 B17R2.193 Clc1ccc(cc1Cl)COc2cccnc2 34a_100000210849_100000184707 [0,2,0,0,0,0|2,0,0]=4 25052 B17R2.193 Clc1ccc(cc1Cl)COc2cccnc2 7a_100000210849_100000184707 [0,2,0,0,0,0|2,0,0]=4 25053 B17R2.193 Clc1ccc(cc1Cl)CSc2ccccc2 62a_100000184707_100000041952 [0,2,0,0,0,0|2,0,0]=4 25054 B17R2.193 Clc1ccc(cc1Cl)CSc2ccccc2 62a_100000719477_100000184707 [0,2,0,0,0,0|2,0,0]=4 25055 B17R2.193 Clc1ccc(cc1Cl)CSc2cccnc2 62a_100000184707_100000210063 [0,2,0,0,0,0|2,0,0]=4 25056 B17R2.193 Clc1ccc(cc1Cl)CSc2cccnc2 62a_100000210063_100000184707 [0,2,0,0,0,0|2,0,0]=4 25057 B17R2.193 Clc1ccc(cc1Cl)NCc2ccccc2 207a_100000184108_100015611070 [0,2,0,0,0,0|1,0,0]=3 25058 B17R2.193 Clc1ccc(cc1Cl)NCc2ccccc2 2230a_100000184108_100015291786 [0,2,0,0,0,0|1,0,0]=3 25059 B17R2.193 Clc1ccc(cc1Cl)NCc2ccccc2 270302a_100000184108_100015611070 [0,2,0,0,0,0|1,0,0]=3 25060 B17R2.193 Clc1ccc(cc1Cl)NCc2ccccc2 34a_100000184108_100015291786 [0,2,0,0,0,0|1,0,0]=3 25061 B17R2.193 Clc1ccc(cc1Cl)NCc2ccccn2 207a_100000184108_100000209966 [0,2,0,0,0,0|2,0,0]=4 25062 B17R2.193 Clc1ccc(cc1Cl)NCc2ccccn2 2230a_100000184108_100000721315 [0,2,0,0,0,0|2,0,0]=4 25063 B17R2.193 Clc1ccc(cc1Cl)NCc2ccccn2 270302a_100000184108_100000209966 [0,2,0,0,0,0|2,0,0]=4 25064 B17R2.193 Clc1ccc(cc1Cl)NCc2ccccn2 34a_100000184108_100000721315 [0,2,0,0,0,0|2,0,0]=4 25065 B17R2.193 Clc1ccc(cc1Cl)NCc2cccnc2 207a_100000184108_100000209961 [0,2,0,0,0,0|0,0,0]=2 25066 B17R2.193 Clc1ccc(cc1Cl)NCc2cccnc2 2230a_100000184108_100000741622 [0,2,0,0,0,0|0,0,0]=2 25067 B17R2.193 Clc1ccc(cc1Cl)NCc2cccnc2 270302a_100000184108_100000209961 [0,2,0,0,0,0|0,0,0]=2 25068 B17R2.193 Clc1ccc(cc1Cl)NCc2cccnc2 34a_100000184108_100000733263 [0,2,0,0,0,0|0,0,0]=2 25069 B17R2.193 Clc1ccc(cc1Cl)NCc2cccnn2 2230a_100000184108_100016990269 [0,2,0,0,0,0|1,0,0]=3 25070 B17R2.193 Clc1ccc(cc1Cl)NCc2cccnn2 34a_100000184108_100016990269 [0,2,0,0,0,0|1,0,0]=3 25071 B17R2.193 Clc1ccc(cc1Cl)NCc2ccncc2 207a_100000184108_100000186114 [0,2,0,0,0,0|2,0,0]=4 25072 B17R2.193 Clc1ccc(cc1Cl)NCc2ccncc2 2230a_100000184108_100015193705 [0,2,0,0,0,0|2,0,0]=4 25073 B17R2.193 Clc1ccc(cc1Cl)NCc2ccnnc2 270302a_100000184108_100011934578 [0,2,0,0,0,0|1,0,0]=3 25074 B17R2.193 Clc1ccc(cc1Cl)NCc2cnccn2 2230a_100000184108_100016995436 [0,2,0,0,0,0|1,0,0]=3 25075 B17R2.193 Clc1ccc(cc1Cl)NCc2cnccn2 34a_100000184108_100016995436 [0,2,0,0,0,0|1,0,0]=3 25076 B17R2.193 Clc1ccc(cc1Cl)NCc2cncnc2 2230a_100000184108_100015196519 [0,2,0,0,0,0|1,0,0]=3 25077 B17R2.193 Clc1ccc(cc1Cl)NCc2cncnc2 270302a_100000184108_100000749868 [0,2,0,0,0,0|1,0,0]=3 25078 B17R2.193 Clc1ccc(cc1Cl)NCc2cncnc2 34a_100000184108_100015196519 [0,2,0,0,0,0|1,0,0]=3 25079 B17R2.193 Clc1ccc(cc1Cl)OCc2ccccc2 34a_100000211054_100015291786 [0,2,0,0,0,0|2,0,0]=4 25080 B17R2.193 Clc1ccc(cc1Cl)OCc2ccccc2 7a_100000211054_100000211182 [0,2,0,0,0,0|2,0,0]=4 25081 B17R2.193 Clc1ccc(cc1Cl)OCc2cccnc2 34a_100000211054_100000733263 [0,2,0,0,0,0|1,0,0]=3 25082 B17R2.193 Clc1ccc(cc1Cl)OCc2cccnc2 7a_100000211054_100000741622 [0,2,0,0,0,0|1,0,0]=3 25083 B17R2.193 Clc1ccc(cc1Cl)OCc2cccnn2 34a_100000211054_100016990269 [0,2,0,0,0,0|2,0,0]=4 25084 B17R2.193 Clc1ccc(cc1Cl)OCc2cccnn2 7a_100000211054_100016990269 [0,2,0,0,0,0|2,0,0]=4 25085 B17R2.193 Clc1ccc(cc1Cl)OCc2cnccn2 34a_100000211054_100016995436 [0,2,0,0,0,0|2,0,0]=4 25086 B17R2.193 Clc1ccc(cc1Cl)OCc2cnccn2 7a_100000211054_100016995436 [0,2,0,0,0,0|2,0,0]=4 25087 B17R2.193 Clc1ccc(cc1Cl)OCc2cncnc2 34a_100000211054_100015196519 [0,2,0,0,0,0|2,0,0]=4 25088 B17R2.193 Clc1ccc(cc1Cl)OCc2cncnc2 7a_100000211054_100015196519 [0,2,0,0,0,0|2,0,0]=4 25089 B17R2.193 Clc1ccc(cc1Cl)SCc2ccccc2 62a_100000211182_100011214914 [0,2,0,0,0,0|2,0,0]=4 25090 B17R2.193 Clc1ccc(cc1Cl)SCc2ccccc2 62a_100011214914_100015291786 [0,2,0,0,0,0|2,0,0]=4 25091 B17R2.193 Clc1ccc(cc1Cl)SCc2cccnc2 62a_100000741622_100011214914 [0,2,0,0,0,0|1,0,0]=3 25092 B17R2.193 Clc1ccc(cc1Cl)SCc2cccnc2 62a_100011214914_100000741622 [0,2,0,0,0,0|1,0,0]=3 25093 B17R2.193 Clc1ccc(cc1Cl)SCc2cccnn2 62a_100011214914_100016990269 [0,2,0,0,0,0|2,0,0]=4 25094 B17R2.193 Clc1ccc(cc1Cl)SCc2cccnn2 62a_100016990269_100011214914 [0,2,0,0,0,0|2,0,0]=4 25095 B17R2.193 Clc1ccc(cc1Cl)SCc2cnccn2 62a_100011214914_100016995436 [0,2,0,0,0,0|2,0,0]=4 25096 B17R2.193 Clc1ccc(cc1Cl)SCc2cnccn2 62a_100016995436_100011214914 [0,2,0,0,0,0|2,0,0]=4 25097 B17R2.193 Clc1ccc(cc1Cl)SCc2cncnc2 62a_100011214914_100015196519 [0,2,0,0,0,0|2,0,0]=4 25098 B17R2.193 Clc1ccc(cc1Cl)SCc2cncnc2 62a_100015196519_100011214914 [0,2,0,0,0,0|2,0,0]=4 25099 B17R2.193 Clc1ccc(cc1I)CNc2ccccc2 207a_100000106764_100010209939 [0,2,0,0,0,0|1,0,0]=3 25100 B17R2.193 Clc1ccc(cc1I)NCc2ccccc2 207a_100012360549_100015611070 [0,2,0,0,0,0|1,0,0]=3 25101 B17R2.193 Clc1ccc(cc1I)NCc2ccccc2 270302a_100012360549_100015611070 [0,2,0,0,0,0|1,0,0]=3 25102 B17R2.193 Clc1ccc(cc1I)NCc2ccccc2 34a_100012360549_100015291786 [0,2,0,0,0,0|1,0,0]=3 25103 B17R2.193 Clc1ccc(cc1I)NCc2ccccn2 207a_100012360549_100000209966 [0,2,0,0,0,0|2,0,0]=4 25104 B17R2.193 Clc1ccc(cc1I)NCc2ccccn2 270302a_100012360549_100000209966 [0,2,0,0,0,0|2,0,0]=4 25105 B17R2.193 Clc1ccc(cc1I)NCc2ccccn2 34a_100012360549_100000721315 [0,2,0,0,0,0|2,0,0]=4 25106 B17R2.193 Clc1ccc(cc1I)NCc2cccnc2 207a_100012360549_100000209961 [0,2,0,0,0,0|0,0,0]=2 25107 B17R2.193 Clc1ccc(cc1I)NCc2cccnc2 270302a_100012360549_100000209961 [0,2,0,0,0,0|0,0,0]=2 25108 B17R2.193 Clc1ccc(cc1I)NCc2cccnc2 34a_100012360549_100000733263 [0,2,0,0,0,0|0,0,0]=2 25109 B17R2.193 Clc1ccc(cc1I)NCc2cccnn2 34a_100012360549_100016990269 [0,2,0,0,0,0|1,0,0]=3 25110 B17R2.193 Clc1ccc(cc1I)NCc2ccncc2 207a_100012360549_100000186114 [0,2,0,0,0,0|2,0,0]=4 25111 B17R2.193 Clc1ccc(cc1I)NCc2ccnnc2 270302a_100012360549_100011934578 [0,2,0,0,0,0|1,0,0]=3 25112 B17R2.193 Clc1ccc(cc1I)NCc2cnccn2 34a_100012360549_100016995436 [0,2,0,0,0,0|1,0,0]=3 25113 B17R2.193 Clc1ccc(cc1I)NCc2cncnc2 270302a_100012360549_100000749868 [0,2,0,0,0,0|1,0,0]=3 25114 B17R2.193 Clc1ccc(cc1I)NCc2cncnc2 34a_100012360549_100015196519 [0,2,0,0,0,0|1,0,0]=3 25115 B17R2.193 Clc1ccc(cc1I)OCc2ccccc2 34a_100000049588_100015291786 [0,2,0,0,0,0|2,0,0]=4 25116 B17R2.193 Clc1ccc(cc1I)OCc2ccccc2 7a_100000049588_100000211182 [0,2,0,0,0,0|2,0,0]=4 25117 B17R2.193 Clc1ccc(cc1I)OCc2cccnc2 34a_100000049588_100000733263 [0,2,0,0,0,0|1,0,0]=3 25118 B17R2.193 Clc1ccc(cc1I)OCc2cccnc2 7a_100000049588_100000741622 [0,2,0,0,0,0|1,0,0]=3 25119 B17R2.193 Clc1ccc(cc1I)OCc2cccnn2 34a_100000049588_100016990269 [0,2,0,0,0,0|2,0,0]=4 25120 B17R2.193 Clc1ccc(cc1I)OCc2cccnn2 7a_100000049588_100016990269 [0,2,0,0,0,0|2,0,0]=4 25121 B17R2.193 Clc1ccc(cc1I)OCc2cnccn2 34a_100000049588_100016995436 [0,2,0,0,0,0|2,0,0]=4 25122 B17R2.193 Clc1ccc(cc1I)OCc2cnccn2 7a_100000049588_100016995436 [0,2,0,0,0,0|2,0,0]=4 25123 B17R2.193 Clc1ccc(cc1I)OCc2cncnc2 34a_100000049588_100015196519 [0,2,0,0,0,0|2,0,0]=4 25124 B17R2.193 Clc1ccc(cc1I)OCc2cncnc2 7a_100000049588_100015196519 [0,2,0,0,0,0|2,0,0]=4 25125 B17R2.193 Clc1cnc(cc1Cl)OCc2cccnc2 34a_200000099200_100000733263 [0,2,0,0,0,0|2,0,0]=4 25126 B17R2.193 Clc1ncc(cc1Br)C#Cc2ccccc2 271570a_100000069678_100010172733 [0,2,0,0,0,0|1,0,1]=4 25127 B17R2.193 Clc1ncc(cc1Br)C=Cc2ccccc2 271570a_100102527694_100010172733 [0,2,0,0,0,0|1,0,1]=4 25128 B17R2.193 Clc1ncc(cc1Br)CNc2ccccc2 207a_100000106764_100010244460 [0,2,0,0,0,0|0,0,0]=2 25129 B17R2.193 Clc1ncc(cc1Br)OCc2ccccc2 34a_100012356455_100015291786 [0,2,0,0,0,0|2,0,0]=4 25130 B17R2.193 Clc1ncc(cc1Br)OCc2ccccc2 7a_100012356455_100000211182 [0,2,0,0,0,0|2,0,0]=4 25131 B17R2.193 Clc1ncc(cc1Br)OCc2cccnc2 34a_100012356455_100000733263 [0,2,0,0,0,0|2,0,0]=4 25132 B17R2.193 Clc1ncc(cc1Br)OCc2cccnc2 7a_100012356455_100000741622 [0,2,0,0,0,0|2,0,0]=4 25133 B17R2.193 Clc1ncc(cc1Br)SCc2ccccc2 62a_100000211182_100010172733 [0,2,0,0,0,0|2,0,0]=4 25134 B17R2.193 Clc1ncc(cc1Br)SCc2ccccc2 62a_100010172733_100015291786 [0,2,0,0,0,0|2,0,0]=4 25135 B17R2.193 Clc1ncc(cc1Br)SCc2cccnc2 62a_100000741622_100010172733 [0,2,0,0,0,0|2,0,0]=4 25136 B17R2.193 Clc1ncc(cc1Br)SCc2cccnc2 62a_100010172733_100000741622 [0,2,0,0,0,0|2,0,0]=4 25137 B17R2.193 Clc1ncc(cc1I)CNc2ccccc2 34a_100000106764_100011072623 [0,2,0,0,0,0|0,0,0]=2 25138 B17R2.193 Clc1ncc(cc1I)COc2ccccc2 34a_100000210340_100011072623 [0,2,0,0,0,0|1,0,0]=3 25139 B17R2.193 Clc1ncc(cc1I)COc2ccccc2 7a_100000210340_100011072623 [0,2,0,0,0,0|1,0,0]=3 25140 B17R2.193 Clc1ncc(cc1I)COc2cccnc2 34a_100000210849_100011072623 [0,2,0,0,0,0|2,0,0]=4 25141 B17R2.193 Clc1ncc(cc1I)COc2cccnc2 7a_100000210849_100011072623 [0,2,0,0,0,0|2,0,0]=4 25142 B17R2.193 Clc1ncc(cc1I)COc2ccncc2 34a_100000212176_100011072623 [0,2,0,0,0,0|2,0,0]=4 25143 B17R2.193 Clc1ncc(cc1I)CSc2ccccc2 62a_100000719477_100011072623 [0,2,0,0,0,0|1,0,0]=3 25144 B17R2.193 Clc1ncc(cc1I)CSc2ccccc2 62a_100011072623_100000041952 [0,2,0,0,0,0|1,0,0]=3 25145 B17R2.193 Clc1ncc(cc1I)CSc2ccccn2 62a_100011072623_100011216584 [0,2,0,0,0,0|2,0,0]=4 25146 B17R2.193 Clc1ncc(cc1I)CSc2ccccn2 62a_100011216584_100011072623 [0,2,0,0,0,0|2,0,0]=4 25147 B17R2.193 Clc1ncc(cc1I)CSc2cccnc2 62a_100000210063_100011072623 [0,2,0,0,0,0|2,0,0]=4 25148 B17R2.193 Clc1ncc(cc1I)CSc2cccnc2 62a_100011072623_100000210063 [0,2,0,0,0,0|2,0,0]=4 25149 B17R2.193 Clc1ncc(cc1I)CSc2ccncc2 62a_100000728582_100011072623 [0,2,0,0,0,0|2,0,0]=4 25150 B17R2.193 Clc1ncc(cc1I)CSc2ccncc2 62a_100011072623_100000728582 [0,2,0,0,0,0|2,0,0]=4 25151 B17R2.193 Cn1cc(ccc1=O)CNc2ccccc2 207a_100000106764_100010620449 [0,2,0,0,0,0|0,0,1]=3 25152 B17R2.193 Cn1cc(ccc1=O)CNc2ccccc2 270302a_100000106764_100010620449 [0,2,0,0,0,0|0,0,1]=3 25153 B17R2.193 Cn1cc(ccc1=O)SCc2cccnc2 62a_100000741622_100011245003 [0,2,0,0,0,0|2,0,0]=4 25154 B17R2.193 Cn1cc(ccc1=O)SCc2cccnc2 62a_100011245003_100000741622 [0,2,0,0,0,0|2,0,0]=4 25155 B17R2.193 Cn1ccc(cc1=O)NCc2ccccc2 27a_100015324214_100009820031 [0,2,0,0,0,0|2,0,0]=4 25156 B17R2.193 Cn1ccc(cc1=O)NCc2cccnc2 27a_100000210453_100009820031 [0,2,0,0,0,0|1,0,0]=3 25157 B17R2.193 Cn1ccc(cc1=O)NCc2cccnn2 27a_100159270163_100009820031 [0,2,0,0,0,0|2,0,0]=4 25158 B17R2.193 Cn1ccc(cc1=O)NCc2cnccn2 27a_100000737960_100009820031 [0,2,0,0,0,0|2,0,0]=4 25159 B17R2.193 Cn1ccc(cc1=O)NCc2cncnc2 27a_100011243677_100009820031 [0,2,0,0,0,0|2,0,0]=4 25160 B17R2.193 Cn1ccc(cc1=O)SCc2cccnc2 62a_100000741622_100009820031 [0,2,0,0,0,0|2,0,0]=4 25161 B17R2.193 Cn1ccc(cc1=O)SCc2cccnc2 62a_100009820031_100000741622 [0,2,0,0,0,0|2,0,0]=4 25162 B17R2.193 Cn1cnc(cc1=O)NCc2cccnc2 27a_100000210453_100012179353 [0,2,0,0,0,0|2,0,0]=4 25163 B17R2.193 Fc1cc(ccc1Br)C=Cc2cccnc2 271570a_100102525586_100000685389 [0,2,0,0,0,0|1,0,1]=4 25164 B17R2.193 Fc1cc(ccc1Br)CNc2ccccc2 207a_100000106764_100000686674 [0,2,0,0,0,0|1,0,0]=3 25165 B17R2.193 Fc1cc(ccc1Br)CNc2ccccc2 270302a_100000106764_100000686674 [0,2,0,0,0,0|1,0,0]=3 25166 B17R2.193 Fc1cc(ccc1Br)CNc2ccccc2 34a_100000106764_100000767054 [0,2,0,0,0,0|1,0,0]=3 25167 B17R2.193 Fc1cc(ccc1Br)COc2ccccc2 34a_100000210340_100000767054 [0,2,0,0,0,0|2,0,0]=4 25168 B17R2.193 Fc1cc(ccc1Br)COc2ccccc2 7a_100000210340_100000767054 [0,2,0,0,0,0|2,0,0]=4 25169 B17R2.193 Fc1cc(ccc1Br)COc2cccnc2 34a_100000210849_100000767054 [0,2,0,0,0,0|2,0,0]=4 25170 B17R2.193 Fc1cc(ccc1Br)COc2cccnc2 7a_100000210849_100000767054 [0,2,0,0,0,0|2,0,0]=4 25171 B17R2.193 Fc1cc(ccc1Br)CSc2ccccc2 62a_100000719477_100000767054 [0,2,0,0,0,0|2,0,0]=4 25172 B17R2.193 Fc1cc(ccc1Br)CSc2ccccc2 62a_100000767054_100000041952 [0,2,0,0,0,0|2,0,0]=4 25173 B17R2.193 Fc1cc(ccc1Br)CSc2cccnc2 62a_100000210063_100000767054 [0,2,0,0,0,0|2,0,0]=4 25174 B17R2.193 Fc1cc(ccc1Br)CSc2cccnc2 62a_100000767054_100000210063 [0,2,0,0,0,0|2,0,0]=4 25175 B17R2.193 Fc1cc(ccc1Br)NCc2ccccc2 207a_100000759894_100015611070 [0,2,0,0,0,0|1,0,0]=3 25176 B17R2.193 Fc1cc(ccc1Br)NCc2ccccc2 2230a_100000759894_100015291786 [0,2,0,0,0,0|1,0,0]=3 25177 B17R2.193 Fc1cc(ccc1Br)NCc2ccccc2 270302a_100000759894_100015611070 [0,2,0,0,0,0|1,0,0]=3 25178 B17R2.193 Fc1cc(ccc1Br)NCc2ccccc2 34a_100000759894_100015291786 [0,2,0,0,0,0|1,0,0]=3 25179 B17R2.193 Fc1cc(ccc1Br)NCc2ccccc2 7a_100000759894_100000211182 [0,2,0,0,0,0|1,0,0]=3 25180 B17R2.193 Fc1cc(ccc1Br)NCc2ccccn2 207a_100000759894_100000209966 [0,2,0,0,0,0|2,0,0]=4 25181 B17R2.193 Fc1cc(ccc1Br)NCc2ccccn2 2230a_100000759894_100000721315 [0,2,0,0,0,0|2,0,0]=4 25182 B17R2.193 Fc1cc(ccc1Br)NCc2ccccn2 270302a_100000759894_100000209966 [0,2,0,0,0,0|2,0,0]=4 25183 B17R2.193 Fc1cc(ccc1Br)NCc2ccccn2 34a_100000759894_100000721315 [0,2,0,0,0,0|2,0,0]=4 25184 B17R2.193 Fc1cc(ccc1Br)NCc2ccccn2 7a_100000759894_100000721315 [0,2,0,0,0,0|2,0,0]=4 25185 B17R2.193 Fc1cc(ccc1Br)NCc2cccnc2 207a_100000759894_100000209961 [0,2,0,0,0,0|0,0,0]=2 25186 B17R2.193 Fc1cc(ccc1Br)NCc2cccnc2 2230a_100000759894_100000741622 [0,2,0,0,0,0|0,0,0]=2 25187 B17R2.193 Fc1cc(ccc1Br)NCc2cccnc2 270302a_100000759894_100000209961 [0,2,0,0,0,0|0,0,0]=2 25188 B17R2.193 Fc1cc(ccc1Br)NCc2cccnc2 34a_100000759894_100000733263 [0,2,0,0,0,0|0,0,0]=2 25189 B17R2.193 Fc1cc(ccc1Br)NCc2cccnc2 7a_100000759894_100000741622 [0,2,0,0,0,0|0,0,0]=2 25190 B17R2.193 Fc1cc(ccc1Br)NCc2cccnn2 2230a_100000759894_100016990269 [0,2,0,0,0,0|1,0,0]=3 25191 B17R2.193 Fc1cc(ccc1Br)NCc2cccnn2 34a_100000759894_100016990269 [0,2,0,0,0,0|1,0,0]=3 25192 B17R2.193 Fc1cc(ccc1Br)NCc2cccnn2 7a_100000759894_100016990269 [0,2,0,0,0,0|1,0,0]=3 25193 B17R2.193 Fc1cc(ccc1Br)NCc2ccncc2 207a_100000759894_100000186114 [0,2,0,0,0,0|2,0,0]=4 25194 B17R2.193 Fc1cc(ccc1Br)NCc2ccncc2 2230a_100000759894_100015193705 [0,2,0,0,0,0|2,0,0]=4 25195 B17R2.193 Fc1cc(ccc1Br)NCc2ccncc2 7a_100000759894_100015193705 [0,2,0,0,0,0|2,0,0]=4 25196 B17R2.193 Fc1cc(ccc1Br)NCc2ccnnc2 270302a_100000759894_100011934578 [0,2,0,0,0,0|1,0,0]=3 25197 B17R2.193 Fc1cc(ccc1Br)NCc2cnccn2 2230a_100000759894_100016995436 [0,2,0,0,0,0|1,0,0]=3 25198 B17R2.193 Fc1cc(ccc1Br)NCc2cnccn2 34a_100000759894_100016995436 [0,2,0,0,0,0|1,0,0]=3 25199 B17R2.193 Fc1cc(ccc1Br)NCc2cnccn2 7a_100000759894_100016995436 [0,2,0,0,0,0|1,0,0]=3 25200 B17R2.193 Fc1cc(ccc1Br)NCc2cncnc2 2230a_100000759894_100015196519 [0,2,0,0,0,0|1,0,0]=3 25201 B17R2.193 Fc1cc(ccc1Br)NCc2cncnc2 270302a_100000759894_100000749868 [0,2,0,0,0,0|1,0,0]=3 25202 B17R2.193 Fc1cc(ccc1Br)NCc2cncnc2 34a_100000759894_100015196519 [0,2,0,0,0,0|1,0,0]=3 25203 B17R2.193 Fc1cc(ccc1Br)NCc2cncnc2 7a_100000759894_100015196519 [0,2,0,0,0,0|1,0,0]=3 25204 B17R2.193 Fc1cc(ccc1Br)OCc2ccccc2 34a_100000755031_100015291786 [0,2,0,0,0,0|2,0,0]=4 25205 B17R2.193 Fc1cc(ccc1Br)OCc2ccccc2 7a_100000755031_100000211182 [0,2,0,0,0,0|2,0,0]=4 25206 B17R2.193 Fc1cc(ccc1Br)OCc2cccnc2 34a_100000755031_100000733263 [0,2,0,0,0,0|1,0,0]=3 25207 B17R2.193 Fc1cc(ccc1Br)OCc2cccnc2 7a_100000755031_100000741622 [0,2,0,0,0,0|1,0,0]=3 25208 B17R2.193 Fc1cc(ccc1Br)OCc2cccnn2 34a_100000755031_100016990269 [0,2,0,0,0,0|2,0,0]=4 25209 B17R2.193 Fc1cc(ccc1Br)OCc2cccnn2 7a_100000755031_100016990269 [0,2,0,0,0,0|2,0,0]=4 25210 B17R2.193 Fc1cc(ccc1Br)OCc2cnccn2 34a_100000755031_100016995436 [0,2,0,0,0,0|2,0,0]=4 25211 B17R2.193 Fc1cc(ccc1Br)OCc2cnccn2 7a_100000755031_100016995436 [0,2,0,0,0,0|2,0,0]=4 25212 B17R2.193 Fc1cc(ccc1Br)OCc2cncnc2 34a_100000755031_100015196519 [0,2,0,0,0,0|2,0,0]=4 25213 B17R2.193 Fc1cc(ccc1Br)OCc2cncnc2 7a_100000755031_100015196519 [0,2,0,0,0,0|2,0,0]=4 25214 B17R2.193 Fc1cc(ccc1Br)SCc2ccccc2 62a_100000211182_100000685389 [0,2,0,0,0,0|2,0,0]=4 25215 B17R2.193 Fc1cc(ccc1Br)SCc2ccccc2 62a_100000685389_100015291786 [0,2,0,0,0,0|2,0,0]=4 25216 B17R2.193 Fc1cc(ccc1Br)SCc2cccnc2 62a_100000685389_100000741622 [0,2,0,0,0,0|1,0,0]=3 25217 B17R2.193 Fc1cc(ccc1Br)SCc2cccnc2 62a_100000741622_100000685389 [0,2,0,0,0,0|1,0,0]=3 25218 B17R2.193 Fc1cc(ccc1Br)SCc2cccnn2 62a_100000685389_100016990269 [0,2,0,0,0,0|2,0,0]=4 25219 B17R2.193 Fc1cc(ccc1Br)SCc2cccnn2 62a_100016990269_100000685389 [0,2,0,0,0,0|2,0,0]=4 25220 B17R2.193 Fc1cc(ccc1Br)SCc2cnccn2 62a_100000685389_100016995436 [0,2,0,0,0,0|2,0,0]=4 25221 B17R2.193 Fc1cc(ccc1Br)SCc2cnccn2 62a_100016995436_100000685389 [0,2,0,0,0,0|2,0,0]=4 25222 B17R2.193 Fc1cc(ccc1Br)SCc2cncnc2 62a_100000685389_100015196519 [0,2,0,0,0,0|2,0,0]=4 25223 B17R2.193 Fc1cc(ccc1Br)SCc2cncnc2 62a_100015196519_100000685389 [0,2,0,0,0,0|2,0,0]=4 25224 B17R2.193 Fc1cc(ccc1Cl)C=Cc2cccnc2 271570a_100102525586_100011216805 [0,2,0,0,0,0|1,0,1]=4 25225 B17R2.193 Fc1cc(ccc1Cl)CNc2ccccc2 207a_100000106764_100000745630 [0,2,0,0,0,0|1,0,0]=3 25226 B17R2.193 Fc1cc(ccc1Cl)CNc2ccccc2 270302a_100000106764_100000745630 [0,2,0,0,0,0|1,0,0]=3 25227 B17R2.193 Fc1cc(ccc1Cl)CNc2ccccc2 34a_100000106764_100011519011 [0,2,0,0,0,0|1,0,0]=3 25228 B17R2.193 Fc1cc(ccc1Cl)COc2ccccc2 34a_100000210340_100011519011 [0,2,0,0,0,0|2,0,0]=4 25229 B17R2.193 Fc1cc(ccc1Cl)COc2ccccc2 7a_100000210340_100000716492 [0,2,0,0,0,0|2,0,0]=4 25230 B17R2.193 Fc1cc(ccc1Cl)COc2cccnc2 34a_100000210849_100011519011 [0,2,0,0,0,0|2,0,0]=4 25231 B17R2.193 Fc1cc(ccc1Cl)COc2cccnc2 7a_100000210849_100000716492 [0,2,0,0,0,0|2,0,0]=4 25232 B17R2.193 Fc1cc(ccc1Cl)CSc2ccccc2 62a_100000716492_100000041952 [0,2,0,0,0,0|2,0,0]=4 25233 B17R2.193 Fc1cc(ccc1Cl)CSc2ccccc2 62a_100000719477_100000716492 [0,2,0,0,0,0|2,0,0]=4 25234 B17R2.193 Fc1cc(ccc1Cl)CSc2cccnc2 62a_100000210063_100000716492 [0,2,0,0,0,0|2,0,0]=4 25235 B17R2.193 Fc1cc(ccc1Cl)CSc2cccnc2 62a_100000716492_100000210063 [0,2,0,0,0,0|2,0,0]=4 25236 B17R2.193 Fc1cc(ccc1Cl)NCc2ccccc2 207a_100000739366_100015611070 [0,2,0,0,0,0|1,0,0]=3 25237 B17R2.193 Fc1cc(ccc1Cl)NCc2ccccc2 2230a_100000739366_100015291786 [0,2,0,0,0,0|1,0,0]=3 25238 B17R2.193 Fc1cc(ccc1Cl)NCc2ccccc2 270302a_100000739366_100015611070 [0,2,0,0,0,0|1,0,0]=3 25239 B17R2.193 Fc1cc(ccc1Cl)NCc2ccccc2 34a_100000739366_100015291786 [0,2,0,0,0,0|1,0,0]=3 25240 B17R2.193 Fc1cc(ccc1Cl)NCc2ccccc2 7a_100000739366_100000211182 [0,2,0,0,0,0|1,0,0]=3 25241 B17R2.193 Fc1cc(ccc1Cl)NCc2ccccn2 207a_100000739366_100000209966 [0,2,0,0,0,0|2,0,0]=4 25242 B17R2.193 Fc1cc(ccc1Cl)NCc2ccccn2 2230a_100000739366_100000721315 [0,2,0,0,0,0|2,0,0]=4 25243 B17R2.193 Fc1cc(ccc1Cl)NCc2ccccn2 270302a_100000739366_100000209966 [0,2,0,0,0,0|2,0,0]=4 25244 B17R2.193 Fc1cc(ccc1Cl)NCc2ccccn2 34a_100000739366_100000721315 [0,2,0,0,0,0|2,0,0]=4 25245 B17R2.193 Fc1cc(ccc1Cl)NCc2ccccn2 7a_100000739366_100000721315 [0,2,0,0,0,0|2,0,0]=4 25246 B17R2.193 Fc1cc(ccc1Cl)NCc2cccnc2 207a_100000739366_100000209961 [0,2,0,0,0,0|0,0,0]=2 25247 B17R2.193 Fc1cc(ccc1Cl)NCc2cccnc2 2230a_100000739366_100000741622 [0,2,0,0,0,0|0,0,0]=2 25248 B17R2.193 Fc1cc(ccc1Cl)NCc2cccnc2 270302a_100000739366_100000209961 [0,2,0,0,0,0|0,0,0]=2 25249 B17R2.193 Fc1cc(ccc1Cl)NCc2cccnc2 34a_100000739366_100000733263 [0,2,0,0,0,0|0,0,0]=2 25250 B17R2.193 Fc1cc(ccc1Cl)NCc2cccnc2 7a_100000739366_100000741622 [0,2,0,0,0,0|0,0,0]=2 25251 B17R2.193 Fc1cc(ccc1Cl)NCc2cccnn2 2230a_100000739366_100016990269 [0,2,0,0,0,0|1,0,0]=3 25252 B17R2.193 Fc1cc(ccc1Cl)NCc2cccnn2 34a_100000739366_100016990269 [0,2,0,0,0,0|1,0,0]=3 25253 B17R2.193 Fc1cc(ccc1Cl)NCc2cccnn2 7a_100000739366_100016990269 [0,2,0,0,0,0|1,0,0]=3 25254 B17R2.193 Fc1cc(ccc1Cl)NCc2ccncc2 207a_100000739366_100000186114 [0,2,0,0,0,0|2,0,0]=4 25255 B17R2.193 Fc1cc(ccc1Cl)NCc2ccncc2 2230a_100000739366_100015193705 [0,2,0,0,0,0|2,0,0]=4 25256 B17R2.193 Fc1cc(ccc1Cl)NCc2ccncc2 7a_100000739366_100015193705 [0,2,0,0,0,0|2,0,0]=4 25257 B17R2.193 Fc1cc(ccc1Cl)NCc2ccnnc2 270302a_100000739366_100011934578 [0,2,0,0,0,0|1,0,0]=3 25258 B17R2.193 Fc1cc(ccc1Cl)NCc2cnccn2 2230a_100000739366_100016995436 [0,2,0,0,0,0|1,0,0]=3 25259 B17R2.193 Fc1cc(ccc1Cl)NCc2cnccn2 34a_100000739366_100016995436 [0,2,0,0,0,0|1,0,0]=3 25260 B17R2.193 Fc1cc(ccc1Cl)NCc2cnccn2 7a_100000739366_100016995436 [0,2,0,0,0,0|1,0,0]=3 25261 B17R2.193 Fc1cc(ccc1Cl)NCc2cncnc2 2230a_100000739366_100015196519 [0,2,0,0,0,0|1,0,0]=3 25262 B17R2.193 Fc1cc(ccc1Cl)NCc2cncnc2 270302a_100000739366_100000749868 [0,2,0,0,0,0|1,0,0]=3 25263 B17R2.193 Fc1cc(ccc1Cl)NCc2cncnc2 34a_100000739366_100015196519 [0,2,0,0,0,0|1,0,0]=3 25264 B17R2.193 Fc1cc(ccc1Cl)NCc2cncnc2 7a_100000739366_100015196519 [0,2,0,0,0,0|1,0,0]=3 25265 B17R2.193 Fc1cc(ccc1Cl)OCc2ccccc2 34a_100000691581_100015291786 [0,2,0,0,0,0|2,0,0]=4 25266 B17R2.193 Fc1cc(ccc1Cl)OCc2ccccc2 7a_100000691581_100000211182 [0,2,0,0,0,0|2,0,0]=4 25267 B17R2.193 Fc1cc(ccc1Cl)OCc2cccnc2 34a_100000691581_100000733263 [0,2,0,0,0,0|1,0,0]=3 25268 B17R2.193 Fc1cc(ccc1Cl)OCc2cccnc2 7a_100000691581_100000741622 [0,2,0,0,0,0|1,0,0]=3 25269 B17R2.193 Fc1cc(ccc1Cl)OCc2cccnn2 34a_100000691581_100016990269 [0,2,0,0,0,0|2,0,0]=4 25270 B17R2.193 Fc1cc(ccc1Cl)OCc2cccnn2 7a_100000691581_100016990269 [0,2,0,0,0,0|2,0,0]=4 25271 B17R2.193 Fc1cc(ccc1Cl)OCc2cnccn2 34a_100000691581_100016995436 [0,2,0,0,0,0|2,0,0]=4 25272 B17R2.193 Fc1cc(ccc1Cl)OCc2cnccn2 7a_100000691581_100016995436 [0,2,0,0,0,0|2,0,0]=4 25273 B17R2.193 Fc1cc(ccc1Cl)OCc2cncnc2 34a_100000691581_100015196519 [0,2,0,0,0,0|2,0,0]=4 25274 B17R2.193 Fc1cc(ccc1Cl)OCc2cncnc2 7a_100000691581_100015196519 [0,2,0,0,0,0|2,0,0]=4 25275 B17R2.193 Fc1cc(ccc1Cl)SCc2ccccc2 62a_100000211182_100011216805 [0,2,0,0,0,0|2,0,0]=4 25276 B17R2.193 Fc1cc(ccc1Cl)SCc2ccccc2 62a_100011216805_100015291786 [0,2,0,0,0,0|2,0,0]=4 25277 B17R2.193 Fc1cc(ccc1Cl)SCc2cccnc2 62a_100000741622_100011216805 [0,2,0,0,0,0|1,0,0]=3 25278 B17R2.193 Fc1cc(ccc1Cl)SCc2cccnc2 62a_100011216805_100000741622 [0,2,0,0,0,0|1,0,0]=3 25279 B17R2.193 Fc1cc(ccc1Cl)SCc2cccnn2 62a_100011216805_100016990269 [0,2,0,0,0,0|2,0,0]=4 25280 B17R2.193 Fc1cc(ccc1Cl)SCc2cccnn2 62a_100016990269_100011216805 [0,2,0,0,0,0|2,0,0]=4 25281 B17R2.193 Fc1cc(ccc1Cl)SCc2cnccn2 62a_100011216805_100016995436 [0,2,0,0,0,0|2,0,0]=4 25282 B17R2.193 Fc1cc(ccc1Cl)SCc2cnccn2 62a_100016995436_100011216805 [0,2,0,0,0,0|2,0,0]=4 25283 B17R2.193 Fc1cc(ccc1Cl)SCc2cncnc2 62a_100011216805_100015196519 [0,2,0,0,0,0|2,0,0]=4 25284 B17R2.193 Fc1cc(ccc1Cl)SCc2cncnc2 62a_100015196519_100011216805 [0,2,0,0,0,0|2,0,0]=4 25285 B17R2.193 Fc1cc(ccc1I)CNc2ccccc2 207a_100000106764_100000050832 [0,2,0,0,0,0|1,0,0]=3 25286 B17R2.193 Fc1cc(ccc1I)CNc2ccccc2 34a_100000106764_100010149604 [0,2,0,0,0,0|1,0,0]=3 25287 B17R2.193 Fc1cc(ccc1I)COc2ccccc2 34a_100000210340_100010149604 [0,2,0,0,0,0|2,0,0]=4 25288 B17R2.193 Fc1cc(ccc1I)COc2ccccc2 7a_100000210340_100010149604 [0,2,0,0,0,0|2,0,0]=4 25289 B17R2.193 Fc1cc(ccc1I)COc2cccnc2 34a_100000210849_100010149604 [0,2,0,0,0,0|2,0,0]=4 25290 B17R2.193 Fc1cc(ccc1I)COc2cccnc2 7a_100000210849_100010149604 [0,2,0,0,0,0|2,0,0]=4 25291 B17R2.193 Fc1cc(ccc1I)CSc2ccccc2 62a_100000719477_100010149604 [0,2,0,0,0,0|2,0,0]=4 25292 B17R2.193 Fc1cc(ccc1I)CSc2ccccc2 62a_100010149604_100000041952 [0,2,0,0,0,0|2,0,0]=4 25293 B17R2.193 Fc1cc(ccc1I)CSc2cccnc2 62a_100000210063_100010149604 [0,2,0,0,0,0|2,0,0]=4 25294 B17R2.193 Fc1cc(ccc1I)CSc2cccnc2 62a_100010149604_100000210063 [0,2,0,0,0,0|2,0,0]=4 25295 B17R2.193 Fc1cc(ccc1I)NCc2ccccc2 207a_100011356925_100015611070 [0,2,0,0,0,0|1,0,0]=3 25296 B17R2.193 Fc1cc(ccc1I)NCc2ccccc2 270302a_100011356925_100015611070 [0,2,0,0,0,0|1,0,0]=3 25297 B17R2.193 Fc1cc(ccc1I)NCc2ccccc2 34a_100011356925_100015291786 [0,2,0,0,0,0|1,0,0]=3 25298 B17R2.193 Fc1cc(ccc1I)NCc2ccccc2 7a_100011356925_100000211182 [0,2,0,0,0,0|1,0,0]=3 25299 B17R2.193 Fc1cc(ccc1I)NCc2ccccn2 207a_100011356925_100000209966 [0,2,0,0,0,0|2,0,0]=4 25300 B17R2.193 Fc1cc(ccc1I)NCc2ccccn2 270302a_100011356925_100000209966 [0,2,0,0,0,0|2,0,0]=4 25301 B17R2.193 Fc1cc(ccc1I)NCc2ccccn2 34a_100011356925_100000721315 [0,2,0,0,0,0|2,0,0]=4 25302 B17R2.193 Fc1cc(ccc1I)NCc2ccccn2 7a_100011356925_100000721315 [0,2,0,0,0,0|2,0,0]=4 25303 B17R2.193 Fc1cc(ccc1I)NCc2cccnc2 207a_100011356925_100000209961 [0,2,0,0,0,0|0,0,0]=2 25304 B17R2.193 Fc1cc(ccc1I)NCc2cccnc2 270302a_100011356925_100000209961 [0,2,0,0,0,0|0,0,0]=2 25305 B17R2.193 Fc1cc(ccc1I)NCc2cccnc2 34a_100011356925_100000733263 [0,2,0,0,0,0|0,0,0]=2 25306 B17R2.193 Fc1cc(ccc1I)NCc2cccnc2 7a_100011356925_100000741622 [0,2,0,0,0,0|0,0,0]=2 25307 B17R2.193 Fc1cc(ccc1I)NCc2cccnn2 34a_100011356925_100016990269 [0,2,0,0,0,0|1,0,0]=3 25308 B17R2.193 Fc1cc(ccc1I)NCc2cccnn2 7a_100011356925_100016990269 [0,2,0,0,0,0|1,0,0]=3 25309 B17R2.193 Fc1cc(ccc1I)NCc2ccncc2 207a_100011356925_100000186114 [0,2,0,0,0,0|2,0,0]=4 25310 B17R2.193 Fc1cc(ccc1I)NCc2ccncc2 7a_100011356925_100015193705 [0,2,0,0,0,0|2,0,0]=4 25311 B17R2.193 Fc1cc(ccc1I)NCc2ccnnc2 270302a_100011356925_100011934578 [0,2,0,0,0,0|1,0,0]=3 25312 B17R2.193 Fc1cc(ccc1I)NCc2cnccn2 34a_100011356925_100016995436 [0,2,0,0,0,0|1,0,0]=3 25313 B17R2.193 Fc1cc(ccc1I)NCc2cnccn2 7a_100011356925_100016995436 [0,2,0,0,0,0|1,0,0]=3 25314 B17R2.193 Fc1cc(ccc1I)NCc2cncnc2 270302a_100011356925_100000749868 [0,2,0,0,0,0|1,0,0]=3 25315 B17R2.193 Fc1cc(ccc1I)NCc2cncnc2 34a_100011356925_100015196519 [0,2,0,0,0,0|1,0,0]=3 25316 B17R2.193 Fc1cc(ccc1I)NCc2cncnc2 7a_100011356925_100015196519 [0,2,0,0,0,0|1,0,0]=3 25317 B17R2.193 Fc1cc(ccc1I)OCc2ccccc2 34a_100009990212_100015291786 [0,2,0,0,0,0|2,0,0]=4 25318 B17R2.193 Fc1cc(ccc1I)OCc2ccccc2 7a_100009990212_100000211182 [0,2,0,0,0,0|2,0,0]=4 25319 B17R2.193 Fc1cc(ccc1I)OCc2cccnc2 34a_100009990212_100000733263 [0,2,0,0,0,0|1,0,0]=3 25320 B17R2.193 Fc1cc(ccc1I)OCc2cccnc2 7a_100009990212_100000741622 [0,2,0,0,0,0|1,0,0]=3 25321 B17R2.193 Fc1cc(ccc1I)OCc2cccnn2 34a_100009990212_100016990269 [0,2,0,0,0,0|2,0,0]=4 25322 B17R2.193 Fc1cc(ccc1I)OCc2cccnn2 7a_100009990212_100016990269 [0,2,0,0,0,0|2,0,0]=4 25323 B17R2.193 Fc1cc(ccc1I)OCc2cnccn2 34a_100009990212_100016995436 [0,2,0,0,0,0|2,0,0]=4 25324 B17R2.193 Fc1cc(ccc1I)OCc2cnccn2 7a_100009990212_100016995436 [0,2,0,0,0,0|2,0,0]=4 25325 B17R2.193 Fc1cc(ccc1I)OCc2cncnc2 34a_100009990212_100015196519 [0,2,0,0,0,0|2,0,0]=4 25326 B17R2.193 Fc1cc(ccc1I)OCc2cncnc2 7a_100009990212_100015196519 [0,2,0,0,0,0|2,0,0]=4 25327 B17R2.193 Fc1cc(cnc1Cl)OCc2ccccc2 34a_100000063512_100015291786 [0,2,0,0,0,0|2,0,0]=4 25328 B17R2.193 Fc1cc(cnc1Cl)OCc2ccccc2 7a_100000063512_100000211182 [0,2,0,0,0,0|2,0,0]=4 25329 B17R2.193 Fc1cc(cnc1Cl)OCc2cccnc2 34a_100000063512_100000733263 [0,2,0,0,0,0|2,0,0]=4 25330 B17R2.193 Fc1cc(cnc1Cl)OCc2cccnc2 7a_100000063512_100000741622 [0,2,0,0,0,0|2,0,0]=4 25331 B17R2.193 Fc1cc(cnc1F)C#Cc2ccccc2 271570a_100000069678_100009817721 [0,2,0,0,0,0|1,0,1]=4 25332 B17R2.193 Fc1cc(cnc1F)C=Cc2ccccc2 271570a_100102527694_100009817721 [0,2,0,0,0,0|1,0,1]=4 25333 B17R2.193 Fc1cc(cnc1F)SCc2ccccc2 62a_100000211182_100009817721 [0,2,0,0,0,0|2,0,0]=4 25334 B17R2.193 Fc1cc(cnc1F)SCc2ccccc2 62a_100009817721_100015291786 [0,2,0,0,0,0|2,0,0]=4 25335 B17R2.193 Fc1cc(cnc1F)SCc2cccnc2 62a_100000741622_100009817721 [0,2,0,0,0,0|2,0,0]=4 25336 B17R2.193 Fc1cc(cnc1F)SCc2cccnc2 62a_100009817721_100000741622 [0,2,0,0,0,0|2,0,0]=4 25337 B17R2.193 Fc1ccc(cc1Br)C=Cc2cccnc2 271570a_100102525586_100012047266 [0,2,0,0,0,0|1,0,1]=4 25338 B17R2.193 Fc1ccc(cc1Br)CNc2ccccc2 207a_100000106764_100000211747 [0,2,0,0,0,0|1,0,0]=3 25339 B17R2.193 Fc1ccc(cc1Br)CNc2ccccc2 270302a_100000106764_100000211747 [0,2,0,0,0,0|1,0,0]=3 25340 B17R2.193 Fc1ccc(cc1Br)CNc2ccccc2 34a_100000106764_100011206884 [0,2,0,0,0,0|1,0,0]=3 25341 B17R2.193 Fc1ccc(cc1Br)COc2ccccc2 34a_100000210340_100011206884 [0,2,0,0,0,0|2,0,0]=4 25342 B17R2.193 Fc1ccc(cc1Br)COc2ccccc2 7a_100000210340_100011206884 [0,2,0,0,0,0|2,0,0]=4 25343 B17R2.193 Fc1ccc(cc1Br)COc2cccnc2 34a_100000210849_100011206884 [0,2,0,0,0,0|2,0,0]=4 25344 B17R2.193 Fc1ccc(cc1Br)COc2cccnc2 7a_100000210849_100011206884 [0,2,0,0,0,0|2,0,0]=4 25345 B17R2.193 Fc1ccc(cc1Br)CSc2ccccc2 62a_100000719477_100011206884 [0,2,0,0,0,0|2,0,0]=4 25346 B17R2.193 Fc1ccc(cc1Br)CSc2ccccc2 62a_100011206884_100000041952 [0,2,0,0,0,0|2,0,0]=4 25347 B17R2.193 Fc1ccc(cc1Br)CSc2cccnc2 62a_100000210063_100011206884 [0,2,0,0,0,0|2,0,0]=4 25348 B17R2.193 Fc1ccc(cc1Br)CSc2cccnc2 62a_100011206884_100000210063 [0,2,0,0,0,0|2,0,0]=4 25349 B17R2.193 Fc1ccc(cc1Br)NCc2ccccc2 207a_100000760356_100015611070 [0,2,0,0,0,0|1,0,0]=3 25350 B17R2.193 Fc1ccc(cc1Br)NCc2ccccc2 2230a_100000760356_100015291786 [0,2,0,0,0,0|1,0,0]=3 25351 B17R2.193 Fc1ccc(cc1Br)NCc2ccccc2 270302a_100000760356_100015611070 [0,2,0,0,0,0|1,0,0]=3 25352 B17R2.193 Fc1ccc(cc1Br)NCc2ccccc2 34a_100000760356_100015291786 [0,2,0,0,0,0|1,0,0]=3 25353 B17R2.193 Fc1ccc(cc1Br)NCc2ccccc2 7a_100000760356_100000211182 [0,2,0,0,0,0|1,0,0]=3 25354 B17R2.193 Fc1ccc(cc1Br)NCc2ccccn2 207a_100000760356_100000209966 [0,2,0,0,0,0|2,0,0]=4 25355 B17R2.193 Fc1ccc(cc1Br)NCc2ccccn2 2230a_100000760356_100000721315 [0,2,0,0,0,0|2,0,0]=4 25356 B17R2.193 Fc1ccc(cc1Br)NCc2ccccn2 270302a_100000760356_100000209966 [0,2,0,0,0,0|2,0,0]=4 25357 B17R2.193 Fc1ccc(cc1Br)NCc2ccccn2 34a_100000760356_100000721315 [0,2,0,0,0,0|2,0,0]=4 25358 B17R2.193 Fc1ccc(cc1Br)NCc2ccccn2 7a_100000760356_100000721315 [0,2,0,0,0,0|2,0,0]=4 25359 B17R2.193 Fc1ccc(cc1Br)NCc2cccnc2 207a_100000760356_100000209961 [0,2,0,0,0,0|0,0,0]=2 25360 B17R2.193 Fc1ccc(cc1Br)NCc2cccnc2 2230a_100000760356_100000741622 [0,2,0,0,0,0|0,0,0]=2 25361 B17R2.193 Fc1ccc(cc1Br)NCc2cccnc2 270302a_100000760356_100000209961 [0,2,0,0,0,0|0,0,0]=2 25362 B17R2.193 Fc1ccc(cc1Br)NCc2cccnc2 34a_100000760356_100000733263 [0,2,0,0,0,0|0,0,0]=2 25363 B17R2.193 Fc1ccc(cc1Br)NCc2cccnc2 7a_100000760356_100000741622 [0,2,0,0,0,0|0,0,0]=2 25364 B17R2.193 Fc1ccc(cc1Br)NCc2cccnn2 2230a_100000760356_100016990269 [0,2,0,0,0,0|1,0,0]=3 25365 B17R2.193 Fc1ccc(cc1Br)NCc2cccnn2 34a_100000760356_100016990269 [0,2,0,0,0,0|1,0,0]=3 25366 B17R2.193 Fc1ccc(cc1Br)NCc2cccnn2 7a_100000760356_100016990269 [0,2,0,0,0,0|1,0,0]=3 25367 B17R2.193 Fc1ccc(cc1Br)NCc2ccncc2 207a_100000760356_100000186114 [0,2,0,0,0,0|2,0,0]=4 25368 B17R2.193 Fc1ccc(cc1Br)NCc2ccncc2 2230a_100000760356_100015193705 [0,2,0,0,0,0|2,0,0]=4 25369 B17R2.193 Fc1ccc(cc1Br)NCc2ccncc2 7a_100000760356_100015193705 [0,2,0,0,0,0|2,0,0]=4 25370 B17R2.193 Fc1ccc(cc1Br)NCc2ccnnc2 270302a_100000760356_100011934578 [0,2,0,0,0,0|1,0,0]=3 25371 B17R2.193 Fc1ccc(cc1Br)NCc2cnccn2 2230a_100000760356_100016995436 [0,2,0,0,0,0|1,0,0]=3 25372 B17R2.193 Fc1ccc(cc1Br)NCc2cnccn2 34a_100000760356_100016995436 [0,2,0,0,0,0|1,0,0]=3 25373 B17R2.193 Fc1ccc(cc1Br)NCc2cnccn2 7a_100000760356_100016995436 [0,2,0,0,0,0|1,0,0]=3 25374 B17R2.193 Fc1ccc(cc1Br)NCc2cncnc2 2230a_100000760356_100015196519 [0,2,0,0,0,0|1,0,0]=3 25375 B17R2.193 Fc1ccc(cc1Br)NCc2cncnc2 270302a_100000760356_100000749868 [0,2,0,0,0,0|1,0,0]=3 25376 B17R2.193 Fc1ccc(cc1Br)NCc2cncnc2 34a_100000760356_100015196519 [0,2,0,0,0,0|1,0,0]=3 25377 B17R2.193 Fc1ccc(cc1Br)NCc2cncnc2 7a_100000760356_100015196519 [0,2,0,0,0,0|1,0,0]=3 25378 B17R2.193 Fc1ccc(cc1Br)OCc2ccccc2 34a_100000693481_100015291786 [0,2,0,0,0,0|2,0,0]=4 25379 B17R2.193 Fc1ccc(cc1Br)OCc2ccccc2 7a_100000693481_100000211182 [0,2,0,0,0,0|2,0,0]=4 25380 B17R2.193 Fc1ccc(cc1Br)OCc2cccnc2 34a_100000693481_100000733263 [0,2,0,0,0,0|1,0,0]=3 25381 B17R2.193 Fc1ccc(cc1Br)OCc2cccnc2 7a_100000693481_100000741622 [0,2,0,0,0,0|1,0,0]=3 25382 B17R2.193 Fc1ccc(cc1Br)OCc2cccnn2 34a_100000693481_100016990269 [0,2,0,0,0,0|2,0,0]=4 25383 B17R2.193 Fc1ccc(cc1Br)OCc2cccnn2 7a_100000693481_100016990269 [0,2,0,0,0,0|2,0,0]=4 25384 B17R2.193 Fc1ccc(cc1Br)OCc2cnccn2 34a_100000693481_100016995436 [0,2,0,0,0,0|2,0,0]=4 25385 B17R2.193 Fc1ccc(cc1Br)OCc2cnccn2 7a_100000693481_100016995436 [0,2,0,0,0,0|2,0,0]=4 25386 B17R2.193 Fc1ccc(cc1Br)OCc2cncnc2 34a_100000693481_100015196519 [0,2,0,0,0,0|2,0,0]=4 25387 B17R2.193 Fc1ccc(cc1Br)OCc2cncnc2 7a_100000693481_100015196519 [0,2,0,0,0,0|2,0,0]=4 25388 B17R2.193 Fc1ccc(cc1Br)SCc2ccccc2 62a_100000211182_100012047266 [0,2,0,0,0,0|2,0,0]=4 25389 B17R2.193 Fc1ccc(cc1Br)SCc2ccccc2 62a_100012047266_100015291786 [0,2,0,0,0,0|2,0,0]=4 25390 B17R2.193 Fc1ccc(cc1Br)SCc2cccnc2 62a_100000741622_100012047266 [0,2,0,0,0,0|1,0,0]=3 25391 B17R2.193 Fc1ccc(cc1Br)SCc2cccnc2 62a_100012047266_100000741622 [0,2,0,0,0,0|1,0,0]=3 25392 B17R2.193 Fc1ccc(cc1Br)SCc2cccnn2 62a_100012047266_100016990269 [0,2,0,0,0,0|2,0,0]=4 25393 B17R2.193 Fc1ccc(cc1Br)SCc2cccnn2 62a_100016990269_100012047266 [0,2,0,0,0,0|2,0,0]=4 25394 B17R2.193 Fc1ccc(cc1Br)SCc2cnccn2 62a_100012047266_100016995436 [0,2,0,0,0,0|2,0,0]=4 25395 B17R2.193 Fc1ccc(cc1Br)SCc2cnccn2 62a_100016995436_100012047266 [0,2,0,0,0,0|2,0,0]=4 25396 B17R2.193 Fc1ccc(cc1Br)SCc2cncnc2 62a_100012047266_100015196519 [0,2,0,0,0,0|2,0,0]=4 25397 B17R2.193 Fc1ccc(cc1Br)SCc2cncnc2 62a_100015196519_100012047266 [0,2,0,0,0,0|2,0,0]=4 25398 B17R2.193 Fc1ccc(cc1Cl)C=Cc2cccnc2 271570a_100102525586_100011215976 [0,2,0,0,0,0|1,0,1]=4 25399 B17R2.193 Fc1ccc(cc1Cl)CNc2ccccc2 207a_100000106764_100000742290 [0,2,0,0,0,0|1,0,0]=3 25400 B17R2.193 Fc1ccc(cc1Cl)CNc2ccccc2 270302a_100000106764_100000742290 [0,2,0,0,0,0|1,0,0]=3 25401 B17R2.193 Fc1ccc(cc1Cl)CNc2ccccc2 34a_100000106764_100011934319 [0,2,0,0,0,0|1,0,0]=3 25402 B17R2.193 Fc1ccc(cc1Cl)COc2ccccc2 34a_100000210340_100011934319 [0,2,0,0,0,0|2,0,0]=4 25403 B17R2.193 Fc1ccc(cc1Cl)COc2ccccc2 7a_100000210340_100000717365 [0,2,0,0,0,0|2,0,0]=4 25404 B17R2.193 Fc1ccc(cc1Cl)COc2cccnc2 34a_100000210849_100011934319 [0,2,0,0,0,0|2,0,0]=4 25405 B17R2.193 Fc1ccc(cc1Cl)COc2cccnc2 7a_100000210849_100000717365 [0,2,0,0,0,0|2,0,0]=4 25406 B17R2.193 Fc1ccc(cc1Cl)CSc2ccccc2 62a_100000717365_100000041952 [0,2,0,0,0,0|2,0,0]=4 25407 B17R2.193 Fc1ccc(cc1Cl)CSc2ccccc2 62a_100000719477_100011934319 [0,2,0,0,0,0|2,0,0]=4 25408 B17R2.193 Fc1ccc(cc1Cl)CSc2cccnc2 62a_100000210063_100011934319 [0,2,0,0,0,0|2,0,0]=4 25409 B17R2.193 Fc1ccc(cc1Cl)CSc2cccnc2 62a_100000717365_100000210063 [0,2,0,0,0,0|2,0,0]=4 25410 B17R2.193 Fc1ccc(cc1Cl)NCc2ccccc2 207a_100000211060_100015611070 [0,2,0,0,0,0|1,0,0]=3 25411 B17R2.193 Fc1ccc(cc1Cl)NCc2ccccc2 2230a_100000211060_100015291786 [0,2,0,0,0,0|1,0,0]=3 25412 B17R2.193 Fc1ccc(cc1Cl)NCc2ccccc2 270302a_100000211060_100015611070 [0,2,0,0,0,0|1,0,0]=3 25413 B17R2.193 Fc1ccc(cc1Cl)NCc2ccccc2 34a_100000211060_100015291786 [0,2,0,0,0,0|1,0,0]=3 25414 B17R2.193 Fc1ccc(cc1Cl)NCc2ccccc2 7a_100000211060_100000211182 [0,2,0,0,0,0|1,0,0]=3 25415 B17R2.193 Fc1ccc(cc1Cl)NCc2ccccn2 207a_100000211060_100000209966 [0,2,0,0,0,0|2,0,0]=4 25416 B17R2.193 Fc1ccc(cc1Cl)NCc2ccccn2 2230a_100000211060_100000721315 [0,2,0,0,0,0|2,0,0]=4 25417 B17R2.193 Fc1ccc(cc1Cl)NCc2ccccn2 270302a_100000211060_100000209966 [0,2,0,0,0,0|2,0,0]=4 25418 B17R2.193 Fc1ccc(cc1Cl)NCc2ccccn2 34a_100000211060_100000721315 [0,2,0,0,0,0|2,0,0]=4 25419 B17R2.193 Fc1ccc(cc1Cl)NCc2ccccn2 7a_100000211060_100000721315 [0,2,0,0,0,0|2,0,0]=4 25420 B17R2.193 Fc1ccc(cc1Cl)NCc2cccnc2 207a_100000211060_100000209961 [0,2,0,0,0,0|0,0,0]=2 25421 B17R2.193 Fc1ccc(cc1Cl)NCc2cccnc2 2230a_100000211060_100000741622 [0,2,0,0,0,0|0,0,0]=2 25422 B17R2.193 Fc1ccc(cc1Cl)NCc2cccnc2 270302a_100000211060_100000209961 [0,2,0,0,0,0|0,0,0]=2 25423 B17R2.193 Fc1ccc(cc1Cl)NCc2cccnc2 34a_100000211060_100000733263 [0,2,0,0,0,0|0,0,0]=2 25424 B17R2.193 Fc1ccc(cc1Cl)NCc2cccnc2 7a_100000211060_100000741622 [0,2,0,0,0,0|0,0,0]=2 25425 B17R2.193 Fc1ccc(cc1Cl)NCc2cccnn2 2230a_100000211060_100016990269 [0,2,0,0,0,0|1,0,0]=3 25426 B17R2.193 Fc1ccc(cc1Cl)NCc2cccnn2 34a_100000211060_100016990269 [0,2,0,0,0,0|1,0,0]=3 25427 B17R2.193 Fc1ccc(cc1Cl)NCc2cccnn2 7a_100000211060_100016990269 [0,2,0,0,0,0|1,0,0]=3 25428 B17R2.193 Fc1ccc(cc1Cl)NCc2ccncc2 207a_100000211060_100000186114 [0,2,0,0,0,0|2,0,0]=4 25429 B17R2.193 Fc1ccc(cc1Cl)NCc2ccncc2 2230a_100000211060_100015193705 [0,2,0,0,0,0|2,0,0]=4 25430 B17R2.193 Fc1ccc(cc1Cl)NCc2ccncc2 7a_100000211060_100015193705 [0,2,0,0,0,0|2,0,0]=4 25431 B17R2.193 Fc1ccc(cc1Cl)NCc2ccnnc2 270302a_100000211060_100011934578 [0,2,0,0,0,0|1,0,0]=3 25432 B17R2.193 Fc1ccc(cc1Cl)NCc2cnccn2 2230a_100000211060_100016995436 [0,2,0,0,0,0|1,0,0]=3 25433 B17R2.193 Fc1ccc(cc1Cl)NCc2cnccn2 34a_100000211060_100016995436 [0,2,0,0,0,0|1,0,0]=3 25434 B17R2.193 Fc1ccc(cc1Cl)NCc2cnccn2 7a_100000211060_100016995436 [0,2,0,0,0,0|1,0,0]=3 25435 B17R2.193 Fc1ccc(cc1Cl)NCc2cncnc2 2230a_100000211060_100015196519 [0,2,0,0,0,0|1,0,0]=3 25436 B17R2.193 Fc1ccc(cc1Cl)NCc2cncnc2 270302a_100000211060_100000749868 [0,2,0,0,0,0|1,0,0]=3 25437 B17R2.193 Fc1ccc(cc1Cl)NCc2cncnc2 34a_100000211060_100015196519 [0,2,0,0,0,0|1,0,0]=3 25438 B17R2.193 Fc1ccc(cc1Cl)NCc2cncnc2 7a_100000211060_100015196519 [0,2,0,0,0,0|1,0,0]=3 25439 B17R2.193 Fc1ccc(cc1Cl)OCc2ccccc2 34a_100000211030_100015291786 [0,2,0,0,0,0|2,0,0]=4 25440 B17R2.193 Fc1ccc(cc1Cl)OCc2ccccc2 7a_100000211030_100000211182 [0,2,0,0,0,0|2,0,0]=4 25441 B17R2.193 Fc1ccc(cc1Cl)OCc2cccnc2 34a_100000211030_100000733263 [0,2,0,0,0,0|1,0,0]=3 25442 B17R2.193 Fc1ccc(cc1Cl)OCc2cccnc2 7a_100000211030_100000741622 [0,2,0,0,0,0|1,0,0]=3 25443 B17R2.193 Fc1ccc(cc1Cl)OCc2cccnn2 34a_100000211030_100016990269 [0,2,0,0,0,0|2,0,0]=4 25444 B17R2.193 Fc1ccc(cc1Cl)OCc2cccnn2 7a_100000211030_100016990269 [0,2,0,0,0,0|2,0,0]=4 25445 B17R2.193 Fc1ccc(cc1Cl)OCc2cnccn2 34a_100000211030_100016995436 [0,2,0,0,0,0|2,0,0]=4 25446 B17R2.193 Fc1ccc(cc1Cl)OCc2cnccn2 7a_100000211030_100016995436 [0,2,0,0,0,0|2,0,0]=4 25447 B17R2.193 Fc1ccc(cc1Cl)OCc2cncnc2 34a_100000211030_100015196519 [0,2,0,0,0,0|2,0,0]=4 25448 B17R2.193 Fc1ccc(cc1Cl)OCc2cncnc2 7a_100000211030_100015196519 [0,2,0,0,0,0|2,0,0]=4 25449 B17R2.193 Fc1ccc(cc1Cl)SCc2ccccc2 62a_100000211182_100011215976 [0,2,0,0,0,0|2,0,0]=4 25450 B17R2.193 Fc1ccc(cc1Cl)SCc2ccccc2 62a_100011215976_100015291786 [0,2,0,0,0,0|2,0,0]=4 25451 B17R2.193 Fc1ccc(cc1Cl)SCc2cccnc2 62a_100000741622_100011215976 [0,2,0,0,0,0|1,0,0]=3 25452 B17R2.193 Fc1ccc(cc1Cl)SCc2cccnc2 62a_100011215976_100000741622 [0,2,0,0,0,0|1,0,0]=3 25453 B17R2.193 Fc1ccc(cc1Cl)SCc2cccnn2 62a_100011215976_100016990269 [0,2,0,0,0,0|2,0,0]=4 25454 B17R2.193 Fc1ccc(cc1Cl)SCc2cccnn2 62a_100016990269_100011215976 [0,2,0,0,0,0|2,0,0]=4 25455 B17R2.193 Fc1ccc(cc1Cl)SCc2cnccn2 62a_100011215976_100016995436 [0,2,0,0,0,0|2,0,0]=4 25456 B17R2.193 Fc1ccc(cc1Cl)SCc2cnccn2 62a_100016995436_100011215976 [0,2,0,0,0,0|2,0,0]=4 25457 B17R2.193 Fc1ccc(cc1Cl)SCc2cncnc2 62a_100011215976_100015196519 [0,2,0,0,0,0|2,0,0]=4 25458 B17R2.193 Fc1ccc(cc1Cl)SCc2cncnc2 62a_100015196519_100011215976 [0,2,0,0,0,0|2,0,0]=4 25459 B17R2.193 Fc1ccc(cc1F)C=Cc2cccnc2 271570a_100102525586_100000750028 [0,2,0,0,0,0|1,0,1]=4 25460 B17R2.193 Fc1ccc(cc1F)CNc2ccccc2 207a_100000106764_100000211062 [0,2,0,0,0,0|1,0,0]=3 25461 B17R2.193 Fc1ccc(cc1F)CNc2ccccc2 270302a_100000106764_100000211062 [0,2,0,0,0,0|1,0,0]=3 25462 B17R2.193 Fc1ccc(cc1F)CNc2ccccc2 34a_100000106764_100000757363 [0,2,0,0,0,0|1,0,0]=3 25463 B17R2.193 Fc1ccc(cc1F)COc2ccccc2 34a_100000210340_100000757363 [0,2,0,0,0,0|2,0,0]=4 25464 B17R2.193 Fc1ccc(cc1F)COc2ccccc2 7a_100000210340_100000757363 [0,2,0,0,0,0|2,0,0]=4 25465 B17R2.193 Fc1ccc(cc1F)COc2cccnc2 34a_100000210849_100000757363 [0,2,0,0,0,0|2,0,0]=4 25466 B17R2.193 Fc1ccc(cc1F)COc2cccnc2 7a_100000210849_100000757363 [0,2,0,0,0,0|2,0,0]=4 25467 B17R2.193 Fc1ccc(cc1F)CSc2ccccc2 62a_100000719477_100000757363 [0,2,0,0,0,0|2,0,0]=4 25468 B17R2.193 Fc1ccc(cc1F)CSc2ccccc2 62a_100000757363_100000041952 [0,2,0,0,0,0|2,0,0]=4 25469 B17R2.193 Fc1ccc(cc1F)CSc2cccnc2 62a_100000210063_100000757363 [0,2,0,0,0,0|2,0,0]=4 25470 B17R2.193 Fc1ccc(cc1F)CSc2cccnc2 62a_100000757363_100000210063 [0,2,0,0,0,0|2,0,0]=4 25471 B17R2.193 Fc1ccc(cc1F)NCc2ccccc2 207a_100000210724_100015611070 [0,2,0,0,0,0|1,0,0]=3 25472 B17R2.193 Fc1ccc(cc1F)NCc2ccccc2 2230a_100000210724_100015291786 [0,2,0,0,0,0|1,0,0]=3 25473 B17R2.193 Fc1ccc(cc1F)NCc2ccccc2 270302a_100000210724_100015611070 [0,2,0,0,0,0|1,0,0]=3 25474 B17R2.193 Fc1ccc(cc1F)NCc2ccccc2 34a_100000210724_100015291786 [0,2,0,0,0,0|1,0,0]=3 25475 B17R2.193 Fc1ccc(cc1F)NCc2ccccc2 7a_100000210724_100000211182 [0,2,0,0,0,0|1,0,0]=3 25476 B17R2.193 Fc1ccc(cc1F)NCc2ccccn2 207a_100000210724_100000209966 [0,2,0,0,0,0|2,0,0]=4 25477 B17R2.193 Fc1ccc(cc1F)NCc2ccccn2 2230a_100000210724_100000721315 [0,2,0,0,0,0|2,0,0]=4 25478 B17R2.193 Fc1ccc(cc1F)NCc2ccccn2 270302a_100000210724_100000209966 [0,2,0,0,0,0|2,0,0]=4 25479 B17R2.193 Fc1ccc(cc1F)NCc2ccccn2 34a_100000210724_100000721315 [0,2,0,0,0,0|2,0,0]=4 25480 B17R2.193 Fc1ccc(cc1F)NCc2ccccn2 7a_100000210724_100000721315 [0,2,0,0,0,0|2,0,0]=4 25481 B17R2.193 Fc1ccc(cc1F)NCc2cccnc2 207a_100000210724_100000209961 [0,2,0,0,0,0|0,0,0]=2 25482 B17R2.193 Fc1ccc(cc1F)NCc2cccnc2 2230a_100000210724_100000741622 [0,2,0,0,0,0|0,0,0]=2 25483 B17R2.193 Fc1ccc(cc1F)NCc2cccnc2 270302a_100000210724_100000209961 [0,2,0,0,0,0|0,0,0]=2 25484 B17R2.193 Fc1ccc(cc1F)NCc2cccnc2 34a_100000210724_100000733263 [0,2,0,0,0,0|0,0,0]=2 25485 B17R2.193 Fc1ccc(cc1F)NCc2cccnc2 7a_100000210724_100000741622 [0,2,0,0,0,0|0,0,0]=2 25486 B17R2.193 Fc1ccc(cc1F)NCc2cccnn2 2230a_100000210724_100016990269 [0,2,0,0,0,0|1,0,0]=3 25487 B17R2.193 Fc1ccc(cc1F)NCc2cccnn2 34a_100000210724_100016990269 [0,2,0,0,0,0|1,0,0]=3 25488 B17R2.193 Fc1ccc(cc1F)NCc2cccnn2 7a_100000210724_100016990269 [0,2,0,0,0,0|1,0,0]=3 25489 B17R2.193 Fc1ccc(cc1F)NCc2ccncc2 207a_100000210724_100000186114 [0,2,0,0,0,0|2,0,0]=4 25490 B17R2.193 Fc1ccc(cc1F)NCc2ccncc2 2230a_100000210724_100015193705 [0,2,0,0,0,0|2,0,0]=4 25491 B17R2.193 Fc1ccc(cc1F)NCc2ccncc2 7a_100000210724_100015193705 [0,2,0,0,0,0|2,0,0]=4 25492 B17R2.193 Fc1ccc(cc1F)NCc2ccnnc2 270302a_100000210724_100011934578 [0,2,0,0,0,0|1,0,0]=3 25493 B17R2.193 Fc1ccc(cc1F)NCc2cnccn2 2230a_100000210724_100016995436 [0,2,0,0,0,0|1,0,0]=3 25494 B17R2.193 Fc1ccc(cc1F)NCc2cnccn2 34a_100000210724_100016995436 [0,2,0,0,0,0|1,0,0]=3 25495 B17R2.193 Fc1ccc(cc1F)NCc2cnccn2 7a_100000210724_100016995436 [0,2,0,0,0,0|1,0,0]=3 25496 B17R2.193 Fc1ccc(cc1F)NCc2cncnc2 2230a_100000210724_100015196519 [0,2,0,0,0,0|1,0,0]=3 25497 B17R2.193 Fc1ccc(cc1F)NCc2cncnc2 270302a_100000210724_100000749868 [0,2,0,0,0,0|1,0,0]=3 25498 B17R2.193 Fc1ccc(cc1F)NCc2cncnc2 34a_100000210724_100015196519 [0,2,0,0,0,0|1,0,0]=3 25499 B17R2.193 Fc1ccc(cc1F)NCc2cncnc2 7a_100000210724_100015196519 [0,2,0,0,0,0|1,0,0]=3 25500 B17R2.193 Fc1ccc(cc1F)OCc2ccccc2 34a_100000181275_100015291786 [0,2,0,0,0,0|2,0,0]=4 25501 B17R2.193 Fc1ccc(cc1F)OCc2ccccc2 7a_100000181275_100000211182 [0,2,0,0,0,0|2,0,0]=4 25502 B17R2.193 Fc1ccc(cc1F)OCc2cccnc2 34a_100000181275_100000733263 [0,2,0,0,0,0|1,0,0]=3 25503 B17R2.193 Fc1ccc(cc1F)OCc2cccnc2 7a_100000181275_100000741622 [0,2,0,0,0,0|1,0,0]=3 25504 B17R2.193 Fc1ccc(cc1F)OCc2cccnn2 34a_100000181275_100016990269 [0,2,0,0,0,0|2,0,0]=4 25505 B17R2.193 Fc1ccc(cc1F)OCc2cccnn2 7a_100000181275_100016990269 [0,2,0,0,0,0|2,0,0]=4 25506 B17R2.193 Fc1ccc(cc1F)OCc2cnccn2 34a_100000181275_100016995436 [0,2,0,0,0,0|2,0,0]=4 25507 B17R2.193 Fc1ccc(cc1F)OCc2cnccn2 7a_100000181275_100016995436 [0,2,0,0,0,0|2,0,0]=4 25508 B17R2.193 Fc1ccc(cc1F)OCc2cncnc2 34a_100000181275_100015196519 [0,2,0,0,0,0|2,0,0]=4 25509 B17R2.193 Fc1ccc(cc1F)OCc2cncnc2 7a_100000181275_100015196519 [0,2,0,0,0,0|2,0,0]=4 25510 B17R2.193 Fc1ccc(cc1F)SCc2ccccc2 62a_100000211182_100000703953 [0,2,0,0,0,0|2,0,0]=4 25511 B17R2.193 Fc1ccc(cc1F)SCc2ccccc2 62a_100000703953_100015291786 [0,2,0,0,0,0|2,0,0]=4 25512 B17R2.193 Fc1ccc(cc1F)SCc2cccnc2 62a_100000703953_100000741622 [0,2,0,0,0,0|1,0,0]=3 25513 B17R2.193 Fc1ccc(cc1F)SCc2cccnc2 62a_100000741622_100000703953 [0,2,0,0,0,0|1,0,0]=3 25514 B17R2.193 Fc1ccc(cc1F)SCc2cccnn2 62a_100000703953_100016990269 [0,2,0,0,0,0|2,0,0]=4 25515 B17R2.193 Fc1ccc(cc1F)SCc2cccnn2 62a_100016990269_100000703953 [0,2,0,0,0,0|2,0,0]=4 25516 B17R2.193 Fc1ccc(cc1F)SCc2cnccn2 62a_100000703953_100016995436 [0,2,0,0,0,0|2,0,0]=4 25517 B17R2.193 Fc1ccc(cc1F)SCc2cnccn2 62a_100016995436_100000703953 [0,2,0,0,0,0|2,0,0]=4 25518 B17R2.193 Fc1ccc(cc1F)SCc2cncnc2 62a_100000703953_100015196519 [0,2,0,0,0,0|2,0,0]=4 25519 B17R2.193 Fc1ccc(cc1F)SCc2cncnc2 62a_100015196519_100000703953 [0,2,0,0,0,0|2,0,0]=4 25520 B17R2.193 Fc1ccc(cc1I)CNc2ccccc2 207a_100000106764_100010188209 [0,2,0,0,0,0|1,0,0]=3 25521 B17R2.193 Fc1ccc(cc1I)CNc2ccccc2 34a_100000106764_100010188208 [0,2,0,0,0,0|1,0,0]=3 25522 B17R2.193 Fc1ccc(cc1I)COc2ccccc2 34a_100000210340_100010188208 [0,2,0,0,0,0|2,0,0]=4 25523 B17R2.193 Fc1ccc(cc1I)COc2ccccc2 7a_100000210340_100010188208 [0,2,0,0,0,0|2,0,0]=4 25524 B17R2.193 Fc1ccc(cc1I)COc2cccnc2 34a_100000210849_100010188208 [0,2,0,0,0,0|2,0,0]=4 25525 B17R2.193 Fc1ccc(cc1I)COc2cccnc2 7a_100000210849_100010188208 [0,2,0,0,0,0|2,0,0]=4 25526 B17R2.193 Fc1ccc(cc1I)CSc2ccccc2 62a_100000719477_100010188208 [0,2,0,0,0,0|2,0,0]=4 25527 B17R2.193 Fc1ccc(cc1I)CSc2ccccc2 62a_100010188208_100000041952 [0,2,0,0,0,0|2,0,0]=4 25528 B17R2.193 Fc1ccc(cc1I)CSc2cccnc2 62a_100000210063_100010188208 [0,2,0,0,0,0|2,0,0]=4 25529 B17R2.193 Fc1ccc(cc1I)CSc2cccnc2 62a_100010188208_100000210063 [0,2,0,0,0,0|2,0,0]=4 25530 B17R2.193 Fc1ccc(cc1I)NCc2ccccc2 207a_114828291077_100015611070 [0,2,0,0,0,0|1,0,0]=3 25531 B17R2.193 Fc1ccc(cc1I)NCc2ccccc2 270302a_114828291077_100015611070 [0,2,0,0,0,0|1,0,0]=3 25532 B17R2.193 Fc1ccc(cc1I)NCc2ccccc2 34a_114828291077_100015291786 [0,2,0,0,0,0|1,0,0]=3 25533 B17R2.193 Fc1ccc(cc1I)NCc2ccccc2 7a_114828291077_100000211182 [0,2,0,0,0,0|1,0,0]=3 25534 B17R2.193 Fc1ccc(cc1I)NCc2ccccn2 207a_114828291077_100000209966 [0,2,0,0,0,0|2,0,0]=4 25535 B17R2.193 Fc1ccc(cc1I)NCc2ccccn2 270302a_114828291077_100000209966 [0,2,0,0,0,0|2,0,0]=4 25536 B17R2.193 Fc1ccc(cc1I)NCc2ccccn2 34a_114828291077_100000721315 [0,2,0,0,0,0|2,0,0]=4 25537 B17R2.193 Fc1ccc(cc1I)NCc2ccccn2 7a_114828291077_100000721315 [0,2,0,0,0,0|2,0,0]=4 25538 B17R2.193 Fc1ccc(cc1I)NCc2cccnc2 207a_114828291077_100000209961 [0,2,0,0,0,0|0,0,0]=2 25539 B17R2.193 Fc1ccc(cc1I)NCc2cccnc2 270302a_114828291077_100000209961 [0,2,0,0,0,0|0,0,0]=2 25540 B17R2.193 Fc1ccc(cc1I)NCc2cccnc2 34a_114828291077_100000733263 [0,2,0,0,0,0|0,0,0]=2 25541 B17R2.193 Fc1ccc(cc1I)NCc2cccnc2 7a_114828291077_100000741622 [0,2,0,0,0,0|0,0,0]=2 25542 B17R2.193 Fc1ccc(cc1I)NCc2cccnn2 34a_114828291077_100016990269 [0,2,0,0,0,0|1,0,0]=3 25543 B17R2.193 Fc1ccc(cc1I)NCc2cccnn2 7a_114828291077_100016990269 [0,2,0,0,0,0|1,0,0]=3 25544 B17R2.193 Fc1ccc(cc1I)NCc2ccncc2 207a_114828291077_100000186114 [0,2,0,0,0,0|2,0,0]=4 25545 B17R2.193 Fc1ccc(cc1I)NCc2ccncc2 7a_114828291077_100015193705 [0,2,0,0,0,0|2,0,0]=4 25546 B17R2.193 Fc1ccc(cc1I)NCc2ccnnc2 270302a_114828291077_100011934578 [0,2,0,0,0,0|1,0,0]=3 25547 B17R2.193 Fc1ccc(cc1I)NCc2cnccn2 34a_114828291077_100016995436 [0,2,0,0,0,0|1,0,0]=3 25548 B17R2.193 Fc1ccc(cc1I)NCc2cnccn2 7a_114828291077_100016995436 [0,2,0,0,0,0|1,0,0]=3 25549 B17R2.193 Fc1ccc(cc1I)NCc2cncnc2 270302a_114828291077_100000749868 [0,2,0,0,0,0|1,0,0]=3 25550 B17R2.193 Fc1ccc(cc1I)NCc2cncnc2 34a_114828291077_100015196519 [0,2,0,0,0,0|1,0,0]=3 25551 B17R2.193 Fc1ccc(cc1I)NCc2cncnc2 7a_114828291077_100015196519 [0,2,0,0,0,0|1,0,0]=3 25552 B17R2.193 Fc1nc(ccc1Br)NCc2ccccc2 27a_100015324214_100010134343 [0,2,0,0,0,0|2,0,0]=4 25553 B17R2.193 Fc1nc(ccc1Br)NCc2cccnc2 27a_100000210453_100010134343 [0,2,0,0,0,0|1,0,0]=3 25554 B17R2.193 Fc1nc(ccc1Br)NCc2cccnn2 27a_100159270163_100010134343 [0,2,0,0,0,0|2,0,0]=4 25555 B17R2.193 Fc1nc(ccc1Br)NCc2cnccn2 27a_100000737960_100010134343 [0,2,0,0,0,0|2,0,0]=4 25556 B17R2.193 Fc1nc(ccc1Br)NCc2cncnc2 27a_100011243677_100010134343 [0,2,0,0,0,0|2,0,0]=4 25557 B17R2.193 Fc1nc(ccc1Br)OCc2cccnc2 34a_100009879308_100000733263 [0,2,0,0,0,0|2,0,0]=4 25558 B17R2.193 Fc1nc(ccc1Br)SCc2cccnc2 62a_100000741622_100010134343 [0,2,0,0,0,0|2,0,0]=4 25559 B17R2.193 Fc1nc(ccc1Br)SCc2cccnc2 62a_100010134343_100000741622 [0,2,0,0,0,0|2,0,0]=4 25560 B17R2.193 Fc1ncc(cc1Br)CNc2ccccc2 34a_100000106764_200010066439 [0,2,0,0,0,0|0,0,0]=2 25561 B17R2.193 Fc1ncc(cc1Br)COc2ccccc2 34a_100000210340_200010066439 [0,2,0,0,0,0|1,0,0]=3 25562 B17R2.193 Fc1ncc(cc1Br)COc2ccccc2 7a_100000210340_200010066439 [0,2,0,0,0,0|1,0,0]=3 25563 B17R2.193 Fc1ncc(cc1Br)COc2cccnc2 34a_100000210849_200010066439 [0,2,0,0,0,0|2,0,0]=4 25564 B17R2.193 Fc1ncc(cc1Br)COc2cccnc2 7a_100000210849_200010066439 [0,2,0,0,0,0|2,0,0]=4 25565 B17R2.193 Fc1ncc(cc1Br)COc2ccncc2 34a_100000212176_200010066439 [0,2,0,0,0,0|2,0,0]=4 25566 B17R2.193 Fc1ncc(cc1Br)CSc2ccccc2 62a_100000719477_200010066439 [0,2,0,0,0,0|1,0,0]=3 25567 B17R2.193 Fc1ncc(cc1Br)CSc2ccccc2 62a_200010066439_100000041952 [0,2,0,0,0,0|1,0,0]=3 25568 B17R2.193 Fc1ncc(cc1Br)CSc2ccccn2 62a_100011216584_200010066439 [0,2,0,0,0,0|2,0,0]=4 25569 B17R2.193 Fc1ncc(cc1Br)CSc2ccccn2 62a_200010066439_100011216584 [0,2,0,0,0,0|2,0,0]=4 25570 B17R2.193 Fc1ncc(cc1Br)CSc2cccnc2 62a_100000210063_200010066439 [0,2,0,0,0,0|2,0,0]=4 25571 B17R2.193 Fc1ncc(cc1Br)CSc2cccnc2 62a_200010066439_100000210063 [0,2,0,0,0,0|2,0,0]=4 25572 B17R2.193 Fc1ncc(cc1Br)CSc2ccncc2 62a_100000728582_200010066439 [0,2,0,0,0,0|2,0,0]=4 25573 B17R2.193 Fc1ncc(cc1Br)CSc2ccncc2 62a_200010066439_100000728582 [0,2,0,0,0,0|2,0,0]=4 25574 B17R2.193 Fc1ncc(cc1Br)OCc2ccccc2 34a_100009817267_100015291786 [0,2,0,0,0,0|2,0,0]=4 25575 B17R2.193 Fc1ncc(cc1Br)OCc2ccccc2 7a_100009817267_100000211182 [0,2,0,0,0,0|2,0,0]=4 25576 B17R2.193 Fc1ncc(cc1Br)OCc2cccnc2 34a_100009817267_100000733263 [0,2,0,0,0,0|2,0,0]=4 25577 B17R2.193 Fc1ncc(cc1Br)OCc2cccnc2 7a_100009817267_100000741622 [0,2,0,0,0,0|2,0,0]=4 25578 B17R2.193 Fc1ncc(cc1Cl)OCc2ccccc2 34a_100000087088_100015291786 [0,2,0,0,0,0|2,0,0]=4 25579 B17R2.193 Fc1ncc(cc1Cl)OCc2ccccc2 7a_100000087088_100000211182 [0,2,0,0,0,0|2,0,0]=4 25580 B17R2.193 Fc1ncc(cc1Cl)OCc2cccnc2 34a_100000087088_100000733263 [0,2,0,0,0,0|2,0,0]=4 25581 B17R2.193 Fc1ncc(cc1Cl)OCc2cccnc2 7a_100000087088_100000741622 [0,2,0,0,0,0|2,0,0]=4 25582 B17R2.193 Nc1cc(ccc1Br)C=Cc2cccnc2 271570a_100102525586_100000750456 [0,2,0,0,0,0|1,0,1]=4 25583 B17R2.193 Nc1cc(ccc1Br)OCc2ccccc2 34a_100011999798_100015291786 [0,2,0,0,0,0|2,0,0]=4 25584 B17R2.193 Nc1cc(ccc1Br)OCc2ccccc2 7a_100011999798_100000211182 [0,2,0,0,0,0|2,0,0]=4 25585 B17R2.193 Nc1cc(ccc1Br)OCc2cccnc2 34a_100011999798_100000733263 [0,2,0,0,0,0|1,0,0]=3 25586 B17R2.193 Nc1cc(ccc1Br)OCc2cccnc2 7a_100011999798_100000741622 [0,2,0,0,0,0|1,0,0]=3 25587 B17R2.193 Nc1cc(ccc1Br)OCc2cccnn2 34a_100011999798_100016990269 [0,2,0,0,0,0|2,0,0]=4 25588 B17R2.193 Nc1cc(ccc1Br)OCc2cccnn2 7a_100011999798_100016990269 [0,2,0,0,0,0|2,0,0]=4 25589 B17R2.193 Nc1cc(ccc1Br)OCc2cnccn2 34a_100011999798_100016995436 [0,2,0,0,0,0|2,0,0]=4 25590 B17R2.193 Nc1cc(ccc1Br)OCc2cnccn2 7a_100011999798_100016995436 [0,2,0,0,0,0|2,0,0]=4 25591 B17R2.193 Nc1cc(ccc1Br)OCc2cncnc2 34a_100011999798_100015196519 [0,2,0,0,0,0|2,0,0]=4 25592 B17R2.193 Nc1cc(ccc1Br)OCc2cncnc2 7a_100011999798_100015196519 [0,2,0,0,0,0|2,0,0]=4 25593 B17R2.193 Nc1cc(ccc1Br)SCc2ccccc2 62a_100000211182_100000750456 [0,2,0,0,0,0|2,0,0]=4 25594 B17R2.193 Nc1cc(ccc1Br)SCc2ccccc2 62a_100000750456_100015291786 [0,2,0,0,0,0|2,0,0]=4 25595 B17R2.193 Nc1cc(ccc1Br)SCc2cccnc2 62a_100000741622_100000750456 [0,2,0,0,0,0|1,0,0]=3 25596 B17R2.193 Nc1cc(ccc1Br)SCc2cccnc2 62a_100000750456_100000741622 [0,2,0,0,0,0|1,0,0]=3 25597 B17R2.193 Nc1cc(ccc1Br)SCc2cccnn2 62a_100000750456_100016990269 [0,2,0,0,0,0|2,0,0]=4 25598 B17R2.193 Nc1cc(ccc1Br)SCc2cccnn2 62a_100016990269_100000750456 [0,2,0,0,0,0|2,0,0]=4 25599 B17R2.193 Nc1cc(ccc1Br)SCc2cnccn2 62a_100000750456_100016995436 [0,2,0,0,0,0|2,0,0]=4 25600 B17R2.193 Nc1cc(ccc1Br)SCc2cnccn2 62a_100016995436_100000750456 [0,2,0,0,0,0|2,0,0]=4 25601 B17R2.193 Nc1cc(ccc1Br)SCc2cncnc2 62a_100000750456_100015196519 [0,2,0,0,0,0|2,0,0]=4 25602 B17R2.193 Nc1cc(ccc1Br)SCc2cncnc2 62a_100015196519_100000750456 [0,2,0,0,0,0|2,0,0]=4 25603 B17R2.193 Nc1cc(ccc1Cl)C=Cc2cccnc2 271570a_100102525586_200000761891 [0,2,0,0,0,0|1,0,1]=4 25604 B17R2.193 Nc1cc(ccc1Cl)OCc2ccccc2 34a_100011934297_100015291786 [0,2,0,0,0,0|2,0,0]=4 25605 B17R2.193 Nc1cc(ccc1Cl)OCc2cccnc2 34a_100011934297_100000733263 [0,2,0,0,0,0|1,0,0]=3 25606 B17R2.193 Nc1cc(ccc1Cl)OCc2cccnn2 34a_100011934297_100016990269 [0,2,0,0,0,0|2,0,0]=4 25607 B17R2.193 Nc1cc(ccc1Cl)OCc2cnccn2 34a_100011934297_100016995436 [0,2,0,0,0,0|2,0,0]=4 25608 B17R2.193 Nc1cc(ccc1Cl)OCc2cncnc2 34a_100011934297_100015196519 [0,2,0,0,0,0|2,0,0]=4 25609 B17R2.193 Nc1cc(ccc1Cl)SCc2ccccc2 62a_100000211182_200000761891 [0,2,0,0,0,0|2,0,0]=4 25610 B17R2.193 Nc1cc(ccc1Cl)SCc2ccccc2 62a_200000761891_100015291786 [0,2,0,0,0,0|2,0,0]=4 25611 B17R2.193 Nc1cc(ccc1Cl)SCc2cccnc2 62a_100000741622_200000761891 [0,2,0,0,0,0|1,0,0]=3 25612 B17R2.193 Nc1cc(ccc1Cl)SCc2cccnc2 62a_200000761891_100000741622 [0,2,0,0,0,0|1,0,0]=3 25613 B17R2.193 Nc1cc(ccc1Cl)SCc2cccnn2 62a_100016990269_200000761891 [0,2,0,0,0,0|2,0,0]=4 25614 B17R2.193 Nc1cc(ccc1Cl)SCc2cccnn2 62a_200000761891_100016990269 [0,2,0,0,0,0|2,0,0]=4 25615 B17R2.193 Nc1cc(ccc1Cl)SCc2cnccn2 62a_100016995436_200000761891 [0,2,0,0,0,0|2,0,0]=4 25616 B17R2.193 Nc1cc(ccc1Cl)SCc2cnccn2 62a_200000761891_100016995436 [0,2,0,0,0,0|2,0,0]=4 25617 B17R2.193 Nc1cc(ccc1Cl)SCc2cncnc2 62a_100015196519_200000761891 [0,2,0,0,0,0|2,0,0]=4 25618 B17R2.193 Nc1cc(ccc1Cl)SCc2cncnc2 62a_200000761891_100015196519 [0,2,0,0,0,0|2,0,0]=4 25619 B17R2.193 Nc1cc(ccc1F)C=Cc2cccnc2 271570a_100102525586_100000740924 [0,2,0,0,0,0|1,0,1]=4 25620 B17R2.193 Nc1cc(ccc1F)OCc2ccccc2 34a_100012017239_100015291786 [0,2,0,0,0,0|2,0,0]=4 25621 B17R2.193 Nc1cc(ccc1F)OCc2ccccc2 7a_100012017239_100000211182 [0,2,0,0,0,0|2,0,0]=4 25622 B17R2.193 Nc1cc(ccc1F)OCc2cccnc2 34a_100012017239_100000733263 [0,2,0,0,0,0|1,0,0]=3 25623 B17R2.193 Nc1cc(ccc1F)OCc2cccnc2 7a_100012017239_100000741622 [0,2,0,0,0,0|1,0,0]=3 25624 B17R2.193 Nc1cc(ccc1F)OCc2cccnn2 34a_100012017239_100016990269 [0,2,0,0,0,0|2,0,0]=4 25625 B17R2.193 Nc1cc(ccc1F)OCc2cccnn2 7a_100012017239_100016990269 [0,2,0,0,0,0|2,0,0]=4 25626 B17R2.193 Nc1cc(ccc1F)OCc2cnccn2 34a_100012017239_100016995436 [0,2,0,0,0,0|2,0,0]=4 25627 B17R2.193 Nc1cc(ccc1F)OCc2cnccn2 7a_100012017239_100016995436 [0,2,0,0,0,0|2,0,0]=4 25628 B17R2.193 Nc1cc(ccc1F)OCc2cncnc2 34a_100012017239_100015196519 [0,2,0,0,0,0|2,0,0]=4 25629 B17R2.193 Nc1cc(ccc1F)OCc2cncnc2 7a_100012017239_100015196519 [0,2,0,0,0,0|2,0,0]=4 25630 B17R2.193 Nc1cc(ccc1F)SCc2ccccc2 62a_100000211182_100000740924 [0,2,0,0,0,0|2,0,0]=4 25631 B17R2.193 Nc1cc(ccc1F)SCc2ccccc2 62a_100000740924_100015291786 [0,2,0,0,0,0|2,0,0]=4 25632 B17R2.193 Nc1cc(ccc1F)SCc2cccnc2 62a_100000740924_100000741622 [0,2,0,0,0,0|1,0,0]=3 25633 B17R2.193 Nc1cc(ccc1F)SCc2cccnc2 62a_100000741622_100000740924 [0,2,0,0,0,0|1,0,0]=3 25634 B17R2.193 Nc1cc(ccc1F)SCc2cccnn2 62a_100000740924_100016990269 [0,2,0,0,0,0|2,0,0]=4 25635 B17R2.193 Nc1cc(ccc1F)SCc2cccnn2 62a_100016990269_100000740924 [0,2,0,0,0,0|2,0,0]=4 25636 B17R2.193 Nc1cc(ccc1F)SCc2cnccn2 62a_100000740924_100016995436 [0,2,0,0,0,0|2,0,0]=4 25637 B17R2.193 Nc1cc(ccc1F)SCc2cnccn2 62a_100016995436_100000740924 [0,2,0,0,0,0|2,0,0]=4 25638 B17R2.193 Nc1cc(ccc1F)SCc2cncnc2 62a_100000740924_100015196519 [0,2,0,0,0,0|2,0,0]=4 25639 B17R2.193 Nc1cc(ccc1F)SCc2cncnc2 62a_100015196519_100000740924 [0,2,0,0,0,0|2,0,0]=4 25640 B17R2.193 Nc1cc(ccc1O)C=Cc2cccnc2 271570a_100102525586_100000752626 [0,2,0,0,0,0|1,0,1]=4 25641 B17R2.193 Nc1cc(ccc1O)SCc2ccccc2 62a_100000211182_100000752626 [0,2,0,0,0,0|2,0,0]=4 25642 B17R2.193 Nc1cc(ccc1O)SCc2ccccc2 62a_100000752626_100015291786 [0,2,0,0,0,0|2,0,0]=4 25643 B17R2.193 Nc1cc(ccc1O)SCc2cccnc2 62a_100000741622_100000752626 [0,2,0,0,0,0|1,0,0]=3 25644 B17R2.193 Nc1cc(ccc1O)SCc2cccnc2 62a_100000752626_100000741622 [0,2,0,0,0,0|1,0,0]=3 25645 B17R2.193 Nc1cc(ccc1O)SCc2cccnn2 62a_100000752626_100016990269 [0,2,0,0,0,0|2,0,0]=4 25646 B17R2.193 Nc1cc(ccc1O)SCc2cccnn2 62a_100016990269_100000752626 [0,2,0,0,0,0|2,0,0]=4 25647 B17R2.193 Nc1cc(ccc1O)SCc2cnccn2 62a_100000752626_100016995436 [0,2,0,0,0,0|2,0,0]=4 25648 B17R2.193 Nc1cc(ccc1O)SCc2cnccn2 62a_100016995436_100000752626 [0,2,0,0,0,0|2,0,0]=4 25649 B17R2.193 Nc1cc(ccc1O)SCc2cncnc2 62a_100000752626_100015196519 [0,2,0,0,0,0|2,0,0]=4 25650 B17R2.193 Nc1cc(ccc1O)SCc2cncnc2 62a_100015196519_100000752626 [0,2,0,0,0,0|2,0,0]=4 25651 B17R2.193 Nc1cc(cnc1Cl)C#Cc2ccccc2 271570a_100000069678_100009828400 [0,2,0,0,0,0|1,0,1]=4 25652 B17R2.193 Nc1cc(cnc1Cl)C=Cc2ccccc2 271570a_100102527694_100009828400 [0,2,0,0,0,0|1,0,1]=4 25653 B17R2.193 Nc1cc(cnc1Cl)SCc2ccccc2 62a_100000211182_100009828400 [0,2,0,0,0,0|2,0,0]=4 25654 B17R2.193 Nc1cc(cnc1Cl)SCc2ccccc2 62a_100009828400_100015291786 [0,2,0,0,0,0|2,0,0]=4 25655 B17R2.193 Nc1cc(cnc1Cl)SCc2cccnc2 62a_100000741622_100009828400 [0,2,0,0,0,0|2,0,0]=4 25656 B17R2.193 Nc1cc(cnc1Cl)SCc2cccnc2 62a_100009828400_100000741622 [0,2,0,0,0,0|2,0,0]=4 25657 B17R2.193 Nc1cc(cnc1F)C#Cc2ccccc2 271570a_100000069678_100009816798 [0,2,0,0,0,0|1,0,1]=4 25658 B17R2.193 Nc1cc(cnc1F)C=Cc2ccccc2 271570a_100102527694_100009816798 [0,2,0,0,0,0|1,0,1]=4 25659 B17R2.193 Nc1cc(cnc1F)SCc2ccccc2 62a_100000211182_100009816798 [0,2,0,0,0,0|2,0,0]=4 25660 B17R2.193 Nc1cc(cnc1F)SCc2ccccc2 62a_100009816798_100015291786 [0,2,0,0,0,0|2,0,0]=4 25661 B17R2.193 Nc1cc(cnc1F)SCc2cccnc2 62a_100000741622_100009816798 [0,2,0,0,0,0|2,0,0]=4 25662 B17R2.193 Nc1cc(cnc1F)SCc2cccnc2 62a_100009816798_100000741622 [0,2,0,0,0,0|2,0,0]=4 25663 B17R2.193 Nc1cc(cnc1N)C#Cc2ccccc2 271570a_100000069678_100000184470 [0,2,0,0,0,0|1,0,1]=4 25664 B17R2.193 Nc1cc(cnc1N)C=Cc2ccccc2 271570a_100102527694_100000184470 [0,2,0,0,0,0|1,0,1]=4 25665 B17R2.193 Nc1cc(cnc1N)SCc2ccccc2 62a_100000184470_100015291786 [0,2,0,0,0,0|2,0,0]=4 25666 B17R2.193 Nc1cc(cnc1N)SCc2ccccc2 62a_100000211182_100000184470 [0,2,0,0,0,0|2,0,0]=4 25667 B17R2.193 Nc1cc(cnc1N)SCc2cccnc2 62a_100000184470_100000741622 [0,2,0,0,0,0|2,0,0]=4 25668 B17R2.193 Nc1cc(cnc1N)SCc2cccnc2 62a_100000741622_100000184470 [0,2,0,0,0,0|2,0,0]=4 25669 B17R2.193 Nc1cc(cnc1O)C#Cc2ccccc2 271570a_100000069678_100000743729 [0,2,0,0,0,0|1,0,1]=4 25670 B17R2.193 Nc1cc(cnc1O)C=Cc2ccccc2 271570a_100102527694_100000743729 [0,2,0,0,0,0|1,0,1]=4 25671 B17R2.193 Nc1cc(cnc1O)SCc2ccccc2 62a_100000211182_100000743729 [0,2,0,0,0,0|2,0,0]=4 25672 B17R2.193 Nc1cc(cnc1O)SCc2ccccc2 62a_100000743729_100015291786 [0,2,0,0,0,0|2,0,0]=4 25673 B17R2.193 Nc1cc(cnc1O)SCc2cccnc2 62a_100000741622_100000743729 [0,2,0,0,0,0|2,0,0]=4 25674 B17R2.193 Nc1cc(cnc1O)SCc2cccnc2 62a_100000743729_100000741622 [0,2,0,0,0,0|2,0,0]=4 25675 B17R2.193 Nc1cc(ncc1F)SCc2cccnc2 62a_100000126464_100000741622 [0,2,0,0,0,0|2,0,0]=4 25676 B17R2.193 Nc1cc(ncc1F)SCc2cccnc2 62a_100000741622_100000126464 [0,2,0,0,0,0|2,0,0]=4 25677 B17R2.193 Nc1cc(ncc1O)SCc2cccnc2 62a_100000741622_100009819941 [0,2,0,0,0,0|2,0,0]=4 25678 B17R2.193 Nc1cc(ncc1O)SCc2cccnc2 62a_100009819941_100000741622 [0,2,0,0,0,0|2,0,0]=4 25679 B17R2.193 Nc1ccc(cc1Br)C=Cc2cccnc2 271570a_100102525586_100000750455 [0,2,0,0,0,0|1,0,1]=4 25680 B17R2.193 Nc1ccc(cc1Br)OCc2ccccc2 34a_100012001276_100015291786 [0,2,0,0,0,0|2,0,0]=4 25681 B17R2.193 Nc1ccc(cc1Br)OCc2ccccc2 7a_100012001276_100000211182 [0,2,0,0,0,0|2,0,0]=4 25682 B17R2.193 Nc1ccc(cc1Br)OCc2cccnc2 34a_100012001276_100000733263 [0,2,0,0,0,0|1,0,0]=3 25683 B17R2.193 Nc1ccc(cc1Br)OCc2cccnc2 7a_100012001276_100000741622 [0,2,0,0,0,0|1,0,0]=3 25684 B17R2.193 Nc1ccc(cc1Br)OCc2cccnn2 34a_100012001276_100016990269 [0,2,0,0,0,0|2,0,0]=4 25685 B17R2.193 Nc1ccc(cc1Br)OCc2cccnn2 7a_100012001276_100016990269 [0,2,0,0,0,0|2,0,0]=4 25686 B17R2.193 Nc1ccc(cc1Br)OCc2cnccn2 34a_100012001276_100016995436 [0,2,0,0,0,0|2,0,0]=4 25687 B17R2.193 Nc1ccc(cc1Br)OCc2cnccn2 7a_100012001276_100016995436 [0,2,0,0,0,0|2,0,0]=4 25688 B17R2.193 Nc1ccc(cc1Br)OCc2cncnc2 34a_100012001276_100015196519 [0,2,0,0,0,0|2,0,0]=4 25689 B17R2.193 Nc1ccc(cc1Br)OCc2cncnc2 7a_100012001276_100015196519 [0,2,0,0,0,0|2,0,0]=4 25690 B17R2.193 Nc1ccc(cc1Br)SCc2ccccc2 62a_100000211182_100000750455 [0,2,0,0,0,0|2,0,0]=4 25691 B17R2.193 Nc1ccc(cc1Br)SCc2ccccc2 62a_100000750455_100015291786 [0,2,0,0,0,0|2,0,0]=4 25692 B17R2.193 Nc1ccc(cc1Br)SCc2cccnc2 62a_100000741622_100000750455 [0,2,0,0,0,0|1,0,0]=3 25693 B17R2.193 Nc1ccc(cc1Br)SCc2cccnc2 62a_100000750455_100000741622 [0,2,0,0,0,0|1,0,0]=3 25694 B17R2.193 Nc1ccc(cc1Br)SCc2cccnn2 62a_100000750455_100016990269 [0,2,0,0,0,0|2,0,0]=4 25695 B17R2.193 Nc1ccc(cc1Br)SCc2cccnn2 62a_100016990269_100000750455 [0,2,0,0,0,0|2,0,0]=4 25696 B17R2.193 Nc1ccc(cc1Br)SCc2cnccn2 62a_100000750455_100016995436 [0,2,0,0,0,0|2,0,0]=4 25697 B17R2.193 Nc1ccc(cc1Br)SCc2cnccn2 62a_100016995436_100000750455 [0,2,0,0,0,0|2,0,0]=4 25698 B17R2.193 Nc1ccc(cc1Br)SCc2cncnc2 62a_100000750455_100015196519 [0,2,0,0,0,0|2,0,0]=4 25699 B17R2.193 Nc1ccc(cc1Br)SCc2cncnc2 62a_100015196519_100000750455 [0,2,0,0,0,0|2,0,0]=4 25700 B17R2.193 Nc1ccc(cc1Cl)C=Cc2cccnc2 271570a_100102525586_100011218065 [0,2,0,0,0,0|1,0,1]=4 25701 B17R2.193 Nc1ccc(cc1Cl)OCc2ccccc2 34a_100011215599_100015291786 [0,2,0,0,0,0|2,0,0]=4 25702 B17R2.193 Nc1ccc(cc1Cl)OCc2ccccc2 7a_100011215599_100000211182 [0,2,0,0,0,0|2,0,0]=4 25703 B17R2.193 Nc1ccc(cc1Cl)OCc2cccnc2 34a_100011215599_100000733263 [0,2,0,0,0,0|1,0,0]=3 25704 B17R2.193 Nc1ccc(cc1Cl)OCc2cccnc2 7a_100011215599_100000741622 [0,2,0,0,0,0|1,0,0]=3 25705 B17R2.193 Nc1ccc(cc1Cl)OCc2cccnn2 34a_100011215599_100016990269 [0,2,0,0,0,0|2,0,0]=4 25706 B17R2.193 Nc1ccc(cc1Cl)OCc2cccnn2 7a_100011215599_100016990269 [0,2,0,0,0,0|2,0,0]=4 25707 B17R2.193 Nc1ccc(cc1Cl)OCc2cnccn2 34a_100011215599_100016995436 [0,2,0,0,0,0|2,0,0]=4 25708 B17R2.193 Nc1ccc(cc1Cl)OCc2cnccn2 7a_100011215599_100016995436 [0,2,0,0,0,0|2,0,0]=4 25709 B17R2.193 Nc1ccc(cc1Cl)OCc2cncnc2 34a_100011215599_100015196519 [0,2,0,0,0,0|2,0,0]=4 25710 B17R2.193 Nc1ccc(cc1Cl)OCc2cncnc2 7a_100011215599_100015196519 [0,2,0,0,0,0|2,0,0]=4 25711 B17R2.193 Nc1ccc(cc1Cl)SCc2ccccc2 62a_100000211182_100011218065 [0,2,0,0,0,0|2,0,0]=4 25712 B17R2.193 Nc1ccc(cc1Cl)SCc2ccccc2 62a_100011218065_100015291786 [0,2,0,0,0,0|2,0,0]=4 25713 B17R2.193 Nc1ccc(cc1Cl)SCc2cccnc2 62a_100000741622_100011218065 [0,2,0,0,0,0|1,0,0]=3 25714 B17R2.193 Nc1ccc(cc1Cl)SCc2cccnc2 62a_100011218065_100000741622 [0,2,0,0,0,0|1,0,0]=3 25715 B17R2.193 Nc1ccc(cc1Cl)SCc2cccnn2 62a_100011218065_100016990269 [0,2,0,0,0,0|2,0,0]=4 25716 B17R2.193 Nc1ccc(cc1Cl)SCc2cccnn2 62a_100016990269_100011218065 [0,2,0,0,0,0|2,0,0]=4 25717 B17R2.193 Nc1ccc(cc1Cl)SCc2cnccn2 62a_100011218065_100016995436 [0,2,0,0,0,0|2,0,0]=4 25718 B17R2.193 Nc1ccc(cc1Cl)SCc2cnccn2 62a_100016995436_100011218065 [0,2,0,0,0,0|2,0,0]=4 25719 B17R2.193 Nc1ccc(cc1Cl)SCc2cncnc2 62a_100011218065_100015196519 [0,2,0,0,0,0|2,0,0]=4 25720 B17R2.193 Nc1ccc(cc1Cl)SCc2cncnc2 62a_100015196519_100011218065 [0,2,0,0,0,0|2,0,0]=4 25721 B17R2.193 Nc1ccc(cc1F)C=Cc2cccnc2 271570a_100102525586_100011215594 [0,2,0,0,0,0|1,0,1]=4 25722 B17R2.193 Nc1ccc(cc1F)OCc2ccccc2 34a_100000759473_100015291786 [0,2,0,0,0,0|2,0,0]=4 25723 B17R2.193 Nc1ccc(cc1F)OCc2ccccc2 7a_100000759473_100000211182 [0,2,0,0,0,0|2,0,0]=4 25724 B17R2.193 Nc1ccc(cc1F)OCc2cccnc2 34a_100000759473_100000733263 [0,2,0,0,0,0|1,0,0]=3 25725 B17R2.193 Nc1ccc(cc1F)OCc2cccnc2 7a_100000759473_100000741622 [0,2,0,0,0,0|1,0,0]=3 25726 B17R2.193 Nc1ccc(cc1F)OCc2cccnn2 34a_100000759473_100016990269 [0,2,0,0,0,0|2,0,0]=4 25727 B17R2.193 Nc1ccc(cc1F)OCc2cccnn2 7a_100000759473_100016990269 [0,2,0,0,0,0|2,0,0]=4 25728 B17R2.193 Nc1ccc(cc1F)OCc2cnccn2 34a_100000759473_100016995436 [0,2,0,0,0,0|2,0,0]=4 25729 B17R2.193 Nc1ccc(cc1F)OCc2cnccn2 7a_100000759473_100016995436 [0,2,0,0,0,0|2,0,0]=4 25730 B17R2.193 Nc1ccc(cc1F)OCc2cncnc2 34a_100000759473_100015196519 [0,2,0,0,0,0|2,0,0]=4 25731 B17R2.193 Nc1ccc(cc1F)OCc2cncnc2 7a_100000759473_100015196519 [0,2,0,0,0,0|2,0,0]=4 25732 B17R2.193 Nc1ccc(cc1F)SCc2ccccc2 62a_100000211182_100011215594 [0,2,0,0,0,0|2,0,0]=4 25733 B17R2.193 Nc1ccc(cc1F)SCc2ccccc2 62a_100011215594_100015291786 [0,2,0,0,0,0|2,0,0]=4 25734 B17R2.193 Nc1ccc(cc1F)SCc2cccnc2 62a_100000741622_100011215594 [0,2,0,0,0,0|1,0,0]=3 25735 B17R2.193 Nc1ccc(cc1F)SCc2cccnc2 62a_100011215594_100000741622 [0,2,0,0,0,0|1,0,0]=3 25736 B17R2.193 Nc1ccc(cc1F)SCc2cccnn2 62a_100011215594_100016990269 [0,2,0,0,0,0|2,0,0]=4 25737 B17R2.193 Nc1ccc(cc1F)SCc2cccnn2 62a_100016990269_100011215594 [0,2,0,0,0,0|2,0,0]=4 25738 B17R2.193 Nc1ccc(cc1F)SCc2cnccn2 62a_100011215594_100016995436 [0,2,0,0,0,0|2,0,0]=4 25739 B17R2.193 Nc1ccc(cc1F)SCc2cnccn2 62a_100016995436_100011215594 [0,2,0,0,0,0|2,0,0]=4 25740 B17R2.193 Nc1ccc(cc1F)SCc2cncnc2 62a_100011215594_100015196519 [0,2,0,0,0,0|2,0,0]=4 25741 B17R2.193 Nc1ccc(cc1F)SCc2cncnc2 62a_100015196519_100011215594 [0,2,0,0,0,0|2,0,0]=4 25742 B17R2.193 Nc1ccc(cc1I)OCc2ccccc2 34a_100010084370_100015291786 [0,2,0,0,0,0|2,0,0]=4 25743 B17R2.193 Nc1ccc(cc1I)OCc2ccccc2 7a_100010084370_100000211182 [0,2,0,0,0,0|2,0,0]=4 25744 B17R2.193 Nc1ccc(cc1I)OCc2cccnc2 34a_100010084370_100000733263 [0,2,0,0,0,0|1,0,0]=3 25745 B17R2.193 Nc1ccc(cc1I)OCc2cccnc2 7a_100010084370_100000741622 [0,2,0,0,0,0|1,0,0]=3 25746 B17R2.193 Nc1ccc(cc1I)OCc2cccnn2 34a_100010084370_100016990269 [0,2,0,0,0,0|2,0,0]=4 25747 B17R2.193 Nc1ccc(cc1I)OCc2cccnn2 7a_100010084370_100016990269 [0,2,0,0,0,0|2,0,0]=4 25748 B17R2.193 Nc1ccc(cc1I)OCc2cnccn2 34a_100010084370_100016995436 [0,2,0,0,0,0|2,0,0]=4 25749 B17R2.193 Nc1ccc(cc1I)OCc2cnccn2 7a_100010084370_100016995436 [0,2,0,0,0,0|2,0,0]=4 25750 B17R2.193 Nc1ccc(cc1I)OCc2cncnc2 34a_100010084370_100015196519 [0,2,0,0,0,0|2,0,0]=4 25751 B17R2.193 Nc1ccc(cc1I)OCc2cncnc2 7a_100010084370_100015196519 [0,2,0,0,0,0|2,0,0]=4 25752 B17R2.193 Nc1ccc(cc1N)C=Cc2cccnc2 271570a_100102525586_100000741789 [0,2,0,0,0,0|1,0,1]=4 25753 B17R2.193 Nc1ccc(cc1N)OCc2ccccc2 34a_100025771000_100015291786 [0,2,0,0,0,0|2,0,0]=4 25754 B17R2.193 Nc1ccc(cc1N)OCc2cccnc2 34a_100025771000_100000733263 [0,2,0,0,0,0|1,0,0]=3 25755 B17R2.193 Nc1ccc(cc1N)OCc2cccnn2 34a_100025771000_100016990269 [0,2,0,0,0,0|2,0,0]=4 25756 B17R2.193 Nc1ccc(cc1N)OCc2cnccn2 34a_100025771000_100016995436 [0,2,0,0,0,0|2,0,0]=4 25757 B17R2.193 Nc1ccc(cc1N)OCc2cncnc2 34a_100025771000_100015196519 [0,2,0,0,0,0|2,0,0]=4 25758 B17R2.193 Nc1ccc(cc1N)SCc2ccccc2 62a_100000211182_100011534411 [0,2,0,0,0,0|2,0,0]=4 25759 B17R2.193 Nc1ccc(cc1N)SCc2ccccc2 62a_100000741789_100015291786 [0,2,0,0,0,0|2,0,0]=4 25760 B17R2.193 Nc1ccc(cc1N)SCc2cccnc2 62a_100000741622_100011534411 [0,2,0,0,0,0|1,0,0]=3 25761 B17R2.193 Nc1ccc(cc1N)SCc2cccnc2 62a_100000741789_100000741622 [0,2,0,0,0,0|1,0,0]=3 25762 B17R2.193 Nc1ccc(cc1N)SCc2cccnn2 62a_100000741789_100016990269 [0,2,0,0,0,0|2,0,0]=4 25763 B17R2.193 Nc1ccc(cc1N)SCc2cccnn2 62a_100016990269_100011534411 [0,2,0,0,0,0|2,0,0]=4 25764 B17R2.193 Nc1ccc(cc1N)SCc2cnccn2 62a_100000741789_100016995436 [0,2,0,0,0,0|2,0,0]=4 25765 B17R2.193 Nc1ccc(cc1N)SCc2cnccn2 62a_100016995436_100011534411 [0,2,0,0,0,0|2,0,0]=4 25766 B17R2.193 Nc1ccc(cc1N)SCc2cncnc2 62a_100000741789_100015196519 [0,2,0,0,0,0|2,0,0]=4 25767 B17R2.193 Nc1ccc(cc1N)SCc2cncnc2 62a_100015196519_100011534411 [0,2,0,0,0,0|2,0,0]=4 25768 B17R2.193 Nc1ccc(cc1O)C=Cc2cccnc2 271570a_100102525586_100000739049 [0,2,0,0,0,0|1,0,1]=4 25769 B17R2.193 Nc1ccc(cc1O)OCc2ccccc2 271570a_203496583355_200012355415 [0,2,0,0,0,0|2,0,0]=4 25770 B17R2.193 Nc1ccc(cc1O)SCc2ccccc2 62a_100000211182_100000739049 [0,2,0,0,0,0|2,0,0]=4 25771 B17R2.193 Nc1ccc(cc1O)SCc2ccccc2 62a_100000739049_100015291786 [0,2,0,0,0,0|2,0,0]=4 25772 B17R2.193 Nc1ccc(cc1O)SCc2cccnc2 62a_100000739049_100000741622 [0,2,0,0,0,0|1,0,0]=3 25773 B17R2.193 Nc1ccc(cc1O)SCc2cccnc2 62a_100000741622_100000739049 [0,2,0,0,0,0|1,0,0]=3 25774 B17R2.193 Nc1ccc(cc1O)SCc2cccnn2 62a_100000739049_100016990269 [0,2,0,0,0,0|2,0,0]=4 25775 B17R2.193 Nc1ccc(cc1O)SCc2cccnn2 62a_100016990269_100000739049 [0,2,0,0,0,0|2,0,0]=4 25776 B17R2.193 Nc1ccc(cc1O)SCc2cnccn2 62a_100000739049_100016995436 [0,2,0,0,0,0|2,0,0]=4 25777 B17R2.193 Nc1ccc(cc1O)SCc2cnccn2 62a_100016995436_100000739049 [0,2,0,0,0,0|2,0,0]=4 25778 B17R2.193 Nc1ccc(cc1O)SCc2cncnc2 62a_100000739049_100015196519 [0,2,0,0,0,0|2,0,0]=4 25779 B17R2.193 Nc1ccc(cc1O)SCc2cncnc2 62a_100015196519_100000739049 [0,2,0,0,0,0|2,0,0]=4 25780 B17R2.193 Nc1ccc(nc1Cl)SCc2cccnc2 62a_100000741622_200010233646 [0,2,0,0,0,0|2,0,0]=4 25781 B17R2.193 Nc1ccc(nc1Cl)SCc2cccnc2 62a_200010233646_100000741622 [0,2,0,0,0,0|2,0,0]=4 25782 B17R2.193 Nc1ccc(nc1F)SCc2cccnc2 62a_100000741622_100009856439 [0,2,0,0,0,0|2,0,0]=4 25783 B17R2.193 Nc1ccc(nc1F)SCc2cccnc2 62a_100009856439_100000741622 [0,2,0,0,0,0|2,0,0]=4 25784 B17R2.193 Nc1ccc(nc1N)SCc2cccnc2 62a_100000747239_100000741622 [0,2,0,0,0,0|2,0,0]=4 25785 B17R2.193 Nc1ccc(nc1O)SCc2cccnc2 62a_100000718904_100000741622 [0,2,0,0,0,0|2,0,0]=4 25786 B17R2.193 Nc1cnc(cc1N)SCc2cccnc2 62a_100000067514_100000741622 [0,2,0,0,0,0|2,0,0]=4 25787 B17R2.193 Nc1cnc(cc1N)SCc2cccnc2 62a_100000741622_100000067514 [0,2,0,0,0,0|2,0,0]=4 25788 B17R2.193 Nc1nc(ccc1F)SCc2cccnc2 62a_100000741622_100016091773 [0,2,0,0,0,0|2,0,0]=4 25789 B17R2.193 Nc1nc(ccc1F)SCc2cccnc2 62a_100016091773_100000741622 [0,2,0,0,0,0|2,0,0]=4 25790 B17R2.193 Nc1nc(ccc1O)SCc2cccnc2 62a_100000685527_100000741622 [0,2,0,0,0,0|2,0,0]=4 25791 B17R2.193 Nc1nc(ccc1O)SCc2cccnc2 62a_100000741622_100000685527 [0,2,0,0,0,0|2,0,0]=4 25792 B17R2.193 Nc1nc(ncc1F)NCc2cccnc2 27a_100000210453_100000185498 [0,2,0,0,0,0|2,0,0]=4 25793 B17R2.193 Nc1ncc(cc1Br)C#Cc2ccccc2 271570a_100000069678_100012353989 [0,2,0,0,0,0|1,0,1]=4 25794 B17R2.193 Nc1ncc(cc1Br)C=Cc2ccccc2 271570a_100102527694_100012353989 [0,2,0,0,0,0|1,0,1]=4 25795 B17R2.193 Nc1ncc(cc1Br)SCc2ccccc2 62a_100000211182_100012353989 [0,2,0,0,0,0|2,0,0]=4 25796 B17R2.193 Nc1ncc(cc1Br)SCc2ccccc2 62a_100012353989_100015291786 [0,2,0,0,0,0|2,0,0]=4 25797 B17R2.193 Nc1ncc(cc1Br)SCc2cccnc2 62a_100000741622_100012353989 [0,2,0,0,0,0|2,0,0]=4 25798 B17R2.193 Nc1ncc(cc1Br)SCc2cccnc2 62a_100012353989_100000741622 [0,2,0,0,0,0|2,0,0]=4 25799 B17R2.193 Nc1ncc(cc1Cl)C#Cc2ccccc2 271570a_100000069678_100012356299 [0,2,0,0,0,0|1,0,1]=4 25800 B17R2.193 Nc1ncc(cc1Cl)C=Cc2ccccc2 271570a_100102527694_100012356299 [0,2,0,0,0,0|1,0,1]=4 25801 B17R2.193 Nc1ncc(cc1Cl)SCc2ccccc2 62a_100000211182_100012356299 [0,2,0,0,0,0|2,0,0]=4 25802 B17R2.193 Nc1ncc(cc1Cl)SCc2ccccc2 62a_100012356299_100015291786 [0,2,0,0,0,0|2,0,0]=4 25803 B17R2.193 Nc1ncc(cc1Cl)SCc2cccnc2 62a_100000741622_100012356299 [0,2,0,0,0,0|2,0,0]=4 25804 B17R2.193 Nc1ncc(cc1Cl)SCc2cccnc2 62a_100012356299_100000741622 [0,2,0,0,0,0|2,0,0]=4 25805 B17R2.193 Nc1ncc(cc1F)C#Cc2ccccc2 271570a_100000069678_100000693161 [0,2,0,0,0,0|1,0,1]=4 25806 B17R2.193 Nc1ncc(cc1F)C=Cc2ccccc2 271570a_100102527694_100000693161 [0,2,0,0,0,0|1,0,1]=4 25807 B17R2.193 Nc1ncc(cc1F)SCc2ccccc2 62a_100000211182_100000693161 [0,2,0,0,0,0|2,0,0]=4 25808 B17R2.193 Nc1ncc(cc1F)SCc2ccccc2 62a_100000693161_100015291786 [0,2,0,0,0,0|2,0,0]=4 25809 B17R2.193 Nc1ncc(cc1F)SCc2cccnc2 62a_100000693161_100000741622 [0,2,0,0,0,0|2,0,0]=4 25810 B17R2.193 Nc1ncc(cc1F)SCc2cccnc2 62a_100000741622_100000693161 [0,2,0,0,0,0|2,0,0]=4 25811 B17R2.193 Nc1ncc(cc1O)C#Cc2ccccc2 271570a_100000069678_100009819042 [0,2,0,0,0,0|1,0,1]=4 25812 B17R2.193 Nc1ncc(cc1O)C=Cc2ccccc2 271570a_100102527694_100009819042 [0,2,0,0,0,0|1,0,1]=4 25813 B17R2.193 Nc1ncc(cc1O)SCc2ccccc2 62a_100000211182_100009819042 [0,2,0,0,0,0|2,0,0]=4 25814 B17R2.193 Nc1ncc(cc1O)SCc2ccccc2 62a_100009819042_100015291786 [0,2,0,0,0,0|2,0,0]=4 25815 B17R2.193 Nc1ncc(cc1O)SCc2cccnc2 62a_100000741622_100009819042 [0,2,0,0,0,0|2,0,0]=4 25816 B17R2.193 Nc1ncc(cc1O)SCc2cccnc2 62a_100009819042_100000741622 [0,2,0,0,0,0|2,0,0]=4 25817 B17R2.193 O=c1[nH]cc(cc1Br)SCc2cccnc2 62a_100000741622_100010125443 [0,2,0,0,0,0|2,0,0]=4 25818 B17R2.193 O=c1[nH]cc(cc1Br)SCc2cccnc2 62a_100010125443_100000741622 [0,2,0,0,0,0|2,0,0]=4 25819 B17R2.193 O=c1[nH]cc(cc1Cl)CNc2ccccc2 207a_100000106764_100000051075 [0,2,0,0,0,0|0,0,1]=3 25820 B17R2.193 O=c1[nH]cc(cc1Cl)CNc2ccccc2 270302a_100000106764_100000051075 [0,2,0,0,0,0|0,0,1]=3 25821 B17R2.193 O=c1[nH]cc(cc1F)SCc2cccnc2 62a_100000723523_100000741622 [0,2,0,0,0,0|2,0,0]=4 25822 B17R2.193 O=c1[nH]cc(cc1F)SCc2cccnc2 62a_100000741622_100000723523 [0,2,0,0,0,0|2,0,0]=4 25823 B17R2.193 O=c1[nH]cc(cc1O)SCc2cccnc2 62a_100000741622_100009814561 [0,2,0,0,0,0|2,0,0]=4 25824 B17R2.193 Oc1cc(ccc1Br)C=Cc2cccnc2 271570a_100102525586_100012356990 [0,2,0,0,0,0|1,0,1]=4 25825 B17R2.193 Oc1cc(ccc1Br)SCc2ccccc2 62a_100000211182_100012356990 [0,2,0,0,0,0|2,0,0]=4 25826 B17R2.193 Oc1cc(ccc1Br)SCc2ccccc2 62a_100012356990_100015291786 [0,2,0,0,0,0|2,0,0]=4 25827 B17R2.193 Oc1cc(ccc1Br)SCc2cccnc2 62a_100000741622_100012356990 [0,2,0,0,0,0|1,0,0]=3 25828 B17R2.193 Oc1cc(ccc1Br)SCc2cccnc2 62a_100012356990_100000741622 [0,2,0,0,0,0|1,0,0]=3 25829 B17R2.193 Oc1cc(ccc1Br)SCc2cccnn2 62a_100012356990_100016990269 [0,2,0,0,0,0|2,0,0]=4 25830 B17R2.193 Oc1cc(ccc1Br)SCc2cccnn2 62a_100016990269_100012356990 [0,2,0,0,0,0|2,0,0]=4 25831 B17R2.193 Oc1cc(ccc1Br)SCc2cnccn2 62a_100012356990_100016995436 [0,2,0,0,0,0|2,0,0]=4 25832 B17R2.193 Oc1cc(ccc1Br)SCc2cnccn2 62a_100016995436_100012356990 [0,2,0,0,0,0|2,0,0]=4 25833 B17R2.193 Oc1cc(ccc1Br)SCc2cncnc2 62a_100012356990_100015196519 [0,2,0,0,0,0|2,0,0]=4 25834 B17R2.193 Oc1cc(ccc1Br)SCc2cncnc2 62a_100015196519_100012356990 [0,2,0,0,0,0|2,0,0]=4 25835 B17R2.193 Oc1cc(ccc1Cl)C=Cc2cccnc2 271570a_100102525586_100011356854 [0,2,0,0,0,0|1,0,1]=4 25836 B17R2.193 Oc1cc(ccc1Cl)NCc2ccccc2 270302a_100011934209_100015611070 [0,2,0,0,0,0|1,0,0]=3 25837 B17R2.193 Oc1cc(ccc1Cl)NCc2ccccc2 34a_100011934209_100015291786 [0,2,0,0,0,0|1,0,0]=3 25838 B17R2.193 Oc1cc(ccc1Cl)NCc2ccccn2 270302a_100011934209_100000209966 [0,2,0,0,0,0|2,0,0]=4 25839 B17R2.193 Oc1cc(ccc1Cl)NCc2ccccn2 34a_100011934209_100000721315 [0,2,0,0,0,0|2,0,0]=4 25840 B17R2.193 Oc1cc(ccc1Cl)NCc2cccnc2 270302a_100011934209_100000209961 [0,2,0,0,0,0|0,0,0]=2 25841 B17R2.193 Oc1cc(ccc1Cl)NCc2cccnc2 34a_100011934209_100000733263 [0,2,0,0,0,0|0,0,0]=2 25842 B17R2.193 Oc1cc(ccc1Cl)NCc2cccnn2 34a_100011934209_100016990269 [0,2,0,0,0,0|1,0,0]=3 25843 B17R2.193 Oc1cc(ccc1Cl)NCc2ccnnc2 270302a_100011934209_100011934578 [0,2,0,0,0,0|1,0,0]=3 25844 B17R2.193 Oc1cc(ccc1Cl)NCc2cnccn2 34a_100011934209_100016995436 [0,2,0,0,0,0|1,0,0]=3 25845 B17R2.193 Oc1cc(ccc1Cl)NCc2cncnc2 270302a_100011934209_100000749868 [0,2,0,0,0,0|1,0,0]=3 25846 B17R2.193 Oc1cc(ccc1Cl)NCc2cncnc2 34a_100011934209_100015196519 [0,2,0,0,0,0|1,0,0]=3 25847 B17R2.193 Oc1cc(ccc1Cl)SCc2ccccc2 62a_100000211182_100011356854 [0,2,0,0,0,0|2,0,0]=4 25848 B17R2.193 Oc1cc(ccc1Cl)SCc2ccccc2 62a_100011356854_100015291786 [0,2,0,0,0,0|2,0,0]=4 25849 B17R2.193 Oc1cc(ccc1Cl)SCc2cccnc2 62a_100000741622_100011356854 [0,2,0,0,0,0|1,0,0]=3 25850 B17R2.193 Oc1cc(ccc1Cl)SCc2cccnc2 62a_100011356854_100000741622 [0,2,0,0,0,0|1,0,0]=3 25851 B17R2.193 Oc1cc(ccc1Cl)SCc2cccnn2 62a_100011356854_100016990269 [0,2,0,0,0,0|2,0,0]=4 25852 B17R2.193 Oc1cc(ccc1Cl)SCc2cccnn2 62a_100016990269_100011356854 [0,2,0,0,0,0|2,0,0]=4 25853 B17R2.193 Oc1cc(ccc1Cl)SCc2cnccn2 62a_100011356854_100016995436 [0,2,0,0,0,0|2,0,0]=4 25854 B17R2.193 Oc1cc(ccc1Cl)SCc2cnccn2 62a_100016995436_100011356854 [0,2,0,0,0,0|2,0,0]=4 25855 B17R2.193 Oc1cc(ccc1Cl)SCc2cncnc2 62a_100011356854_100015196519 [0,2,0,0,0,0|2,0,0]=4 25856 B17R2.193 Oc1cc(ccc1Cl)SCc2cncnc2 62a_100015196519_100011356854 [0,2,0,0,0,0|2,0,0]=4 25857 B17R2.193 Oc1cc(ccc1F)C=Cc2cccnc2 271570a_100102525586_100000686035 [0,2,0,0,0,0|1,0,1]=4 25858 B17R2.193 Oc1cc(ccc1F)NCc2ccccc2 270302a_100012017398_100015611070 [0,2,0,0,0,0|1,0,0]=3 25859 B17R2.193 Oc1cc(ccc1F)NCc2ccccc2 34a_100012017398_100015291786 [0,2,0,0,0,0|1,0,0]=3 25860 B17R2.193 Oc1cc(ccc1F)NCc2ccccc2 7a_100012017398_100000211182 [0,2,0,0,0,0|1,0,0]=3 25861 B17R2.193 Oc1cc(ccc1F)NCc2ccccn2 270302a_100012017398_100000209966 [0,2,0,0,0,0|2,0,0]=4 25862 B17R2.193 Oc1cc(ccc1F)NCc2ccccn2 34a_100012017398_100000721315 [0,2,0,0,0,0|2,0,0]=4 25863 B17R2.193 Oc1cc(ccc1F)NCc2ccccn2 7a_100012017398_100000721315 [0,2,0,0,0,0|2,0,0]=4 25864 B17R2.193 Oc1cc(ccc1F)NCc2cccnc2 270302a_100012017398_100000209961 [0,2,0,0,0,0|0,0,0]=2 25865 B17R2.193 Oc1cc(ccc1F)NCc2cccnc2 34a_100012017398_100000733263 [0,2,0,0,0,0|0,0,0]=2 25866 B17R2.193 Oc1cc(ccc1F)NCc2cccnc2 7a_100012017398_100000741622 [0,2,0,0,0,0|0,0,0]=2 25867 B17R2.193 Oc1cc(ccc1F)NCc2cccnn2 34a_100012017398_100016990269 [0,2,0,0,0,0|1,0,0]=3 25868 B17R2.193 Oc1cc(ccc1F)NCc2cccnn2 7a_100012017398_100016990269 [0,2,0,0,0,0|1,0,0]=3 25869 B17R2.193 Oc1cc(ccc1F)NCc2ccncc2 7a_100012017398_100015193705 [0,2,0,0,0,0|2,0,0]=4 25870 B17R2.193 Oc1cc(ccc1F)NCc2ccnnc2 270302a_100012017398_100011934578 [0,2,0,0,0,0|1,0,0]=3 25871 B17R2.193 Oc1cc(ccc1F)NCc2cnccn2 34a_100012017398_100016995436 [0,2,0,0,0,0|1,0,0]=3 25872 B17R2.193 Oc1cc(ccc1F)NCc2cnccn2 7a_100012017398_100016995436 [0,2,0,0,0,0|1,0,0]=3 25873 B17R2.193 Oc1cc(ccc1F)NCc2cncnc2 270302a_100012017398_100000749868 [0,2,0,0,0,0|1,0,0]=3 25874 B17R2.193 Oc1cc(ccc1F)NCc2cncnc2 34a_100012017398_100015196519 [0,2,0,0,0,0|1,0,0]=3 25875 B17R2.193 Oc1cc(ccc1F)NCc2cncnc2 7a_100012017398_100015196519 [0,2,0,0,0,0|1,0,0]=3 25876 B17R2.193 Oc1cc(ccc1F)SCc2ccccc2 62a_100000211182_100000686035 [0,2,0,0,0,0|2,0,0]=4 25877 B17R2.193 Oc1cc(ccc1F)SCc2ccccc2 62a_100000686035_100015291786 [0,2,0,0,0,0|2,0,0]=4 25878 B17R2.193 Oc1cc(ccc1F)SCc2cccnc2 62a_100000686035_100000741622 [0,2,0,0,0,0|1,0,0]=3 25879 B17R2.193 Oc1cc(ccc1F)SCc2cccnc2 62a_100000741622_100000686035 [0,2,0,0,0,0|1,0,0]=3 25880 B17R2.193 Oc1cc(ccc1F)SCc2cccnn2 62a_100000686035_100016990269 [0,2,0,0,0,0|2,0,0]=4 25881 B17R2.193 Oc1cc(ccc1F)SCc2cccnn2 62a_100016990269_100000686035 [0,2,0,0,0,0|2,0,0]=4 25882 B17R2.193 Oc1cc(ccc1F)SCc2cnccn2 62a_100000686035_100016995436 [0,2,0,0,0,0|2,0,0]=4 25883 B17R2.193 Oc1cc(ccc1F)SCc2cnccn2 62a_100016995436_100000686035 [0,2,0,0,0,0|2,0,0]=4 25884 B17R2.193 Oc1cc(ccc1F)SCc2cncnc2 62a_100000686035_100015196519 [0,2,0,0,0,0|2,0,0]=4 25885 B17R2.193 Oc1cc(ccc1F)SCc2cncnc2 62a_100015196519_100000686035 [0,2,0,0,0,0|2,0,0]=4 25886 B17R2.193 Oc1cc(cnc1F)C#Cc2ccccc2 271570a_100000069678_100009819871 [0,2,0,0,0,0|1,0,1]=4 25887 B17R2.193 Oc1cc(cnc1F)C=Cc2ccccc2 271570a_100102527694_100009819871 [0,2,0,0,0,0|1,0,1]=4 25888 B17R2.193 Oc1cc(cnc1F)SCc2ccccc2 62a_100000211182_100009819871 [0,2,0,0,0,0|2,0,0]=4 25889 B17R2.193 Oc1cc(cnc1F)SCc2ccccc2 62a_100009819871_100015291786 [0,2,0,0,0,0|2,0,0]=4 25890 B17R2.193 Oc1cc(cnc1F)SCc2cccnc2 62a_100000741622_100009819871 [0,2,0,0,0,0|2,0,0]=4 25891 B17R2.193 Oc1cc(cnc1F)SCc2cccnc2 62a_100009819871_100000741622 [0,2,0,0,0,0|2,0,0]=4 25892 B17R2.193 Oc1cc(ncc1F)SCc2cccnc2 62a_100000741622_100009854642 [0,2,0,0,0,0|2,0,0]=4 25893 B17R2.193 Oc1cc(ncc1F)SCc2cccnc2 62a_100009854642_100000741622 [0,2,0,0,0,0|2,0,0]=4 25894 B17R2.193 Oc1ccc(cc1Br)C=Cc2cccnc2 271570a_100102525586_100012361655 [0,2,0,0,0,0|1,0,1]=4 25895 B17R2.193 Oc1ccc(cc1Br)NCc2ccccc2 270302a_100011534360_100015611070 [0,2,0,0,0,0|1,0,0]=3 25896 B17R2.193 Oc1ccc(cc1Br)NCc2ccccc2 34a_100011534360_100015291786 [0,2,0,0,0,0|1,0,0]=3 25897 B17R2.193 Oc1ccc(cc1Br)NCc2ccccn2 270302a_100011534360_100000209966 [0,2,0,0,0,0|2,0,0]=4 25898 B17R2.193 Oc1ccc(cc1Br)NCc2ccccn2 34a_100011534360_100000721315 [0,2,0,0,0,0|2,0,0]=4 25899 B17R2.193 Oc1ccc(cc1Br)NCc2cccnc2 270302a_100011534360_100000209961 [0,2,0,0,0,0|0,0,0]=2 25900 B17R2.193 Oc1ccc(cc1Br)NCc2cccnc2 34a_100011534360_100000733263 [0,2,0,0,0,0|0,0,0]=2 25901 B17R2.193 Oc1ccc(cc1Br)NCc2cccnn2 34a_100011534360_100016990269 [0,2,0,0,0,0|1,0,0]=3 25902 B17R2.193 Oc1ccc(cc1Br)NCc2ccnnc2 270302a_100011534360_100011934578 [0,2,0,0,0,0|1,0,0]=3 25903 B17R2.193 Oc1ccc(cc1Br)NCc2cnccn2 34a_100011534360_100016995436 [0,2,0,0,0,0|1,0,0]=3 25904 B17R2.193 Oc1ccc(cc1Br)NCc2cncnc2 270302a_100011534360_100000749868 [0,2,0,0,0,0|1,0,0]=3 25905 B17R2.193 Oc1ccc(cc1Br)NCc2cncnc2 34a_100011534360_100015196519 [0,2,0,0,0,0|1,0,0]=3 25906 B17R2.193 Oc1ccc(cc1Br)SCc2ccccc2 62a_100000211182_100012361655 [0,2,0,0,0,0|2,0,0]=4 25907 B17R2.193 Oc1ccc(cc1Br)SCc2ccccc2 62a_100012361655_100015291786 [0,2,0,0,0,0|2,0,0]=4 25908 B17R2.193 Oc1ccc(cc1Br)SCc2cccnc2 62a_100000741622_100012361655 [0,2,0,0,0,0|1,0,0]=3 25909 B17R2.193 Oc1ccc(cc1Br)SCc2cccnc2 62a_100012361655_100000741622 [0,2,0,0,0,0|1,0,0]=3 25910 B17R2.193 Oc1ccc(cc1Br)SCc2cccnn2 62a_100012361655_100016990269 [0,2,0,0,0,0|2,0,0]=4 25911 B17R2.193 Oc1ccc(cc1Br)SCc2cccnn2 62a_100016990269_100012361655 [0,2,0,0,0,0|2,0,0]=4 25912 B17R2.193 Oc1ccc(cc1Br)SCc2cnccn2 62a_100012361655_100016995436 [0,2,0,0,0,0|2,0,0]=4 25913 B17R2.193 Oc1ccc(cc1Br)SCc2cnccn2 62a_100016995436_100012361655 [0,2,0,0,0,0|2,0,0]=4 25914 B17R2.193 Oc1ccc(cc1Br)SCc2cncnc2 62a_100012361655_100015196519 [0,2,0,0,0,0|2,0,0]=4 25915 B17R2.193 Oc1ccc(cc1Br)SCc2cncnc2 62a_100015196519_100012361655 [0,2,0,0,0,0|2,0,0]=4 25916 B17R2.193 Oc1ccc(cc1Cl)C=Cc2cccnc2 271570a_100102525586_100012360047 [0,2,0,0,0,0|1,0,1]=4 25917 B17R2.193 Oc1ccc(cc1Cl)NCc2ccccc2 270302a_100000744943_100015611070 [0,2,0,0,0,0|1,0,0]=3 25918 B17R2.193 Oc1ccc(cc1Cl)NCc2ccccc2 34a_100000744943_100015291786 [0,2,0,0,0,0|1,0,0]=3 25919 B17R2.193 Oc1ccc(cc1Cl)NCc2ccccn2 270302a_100000744943_100000209966 [0,2,0,0,0,0|2,0,0]=4 25920 B17R2.193 Oc1ccc(cc1Cl)NCc2ccccn2 34a_100000744943_100000721315 [0,2,0,0,0,0|2,0,0]=4 25921 B17R2.193 Oc1ccc(cc1Cl)NCc2cccnc2 270302a_100000744943_100000209961 [0,2,0,0,0,0|0,0,0]=2 25922 B17R2.193 Oc1ccc(cc1Cl)NCc2cccnc2 34a_100000744943_100000733263 [0,2,0,0,0,0|0,0,0]=2 25923 B17R2.193 Oc1ccc(cc1Cl)NCc2cccnn2 34a_100000744943_100016990269 [0,2,0,0,0,0|1,0,0]=3 25924 B17R2.193 Oc1ccc(cc1Cl)NCc2ccnnc2 270302a_100000744943_100011934578 [0,2,0,0,0,0|1,0,0]=3 25925 B17R2.193 Oc1ccc(cc1Cl)NCc2cnccn2 34a_100000744943_100016995436 [0,2,0,0,0,0|1,0,0]=3 25926 B17R2.193 Oc1ccc(cc1Cl)NCc2cncnc2 270302a_100000744943_100000749868 [0,2,0,0,0,0|1,0,0]=3 25927 B17R2.193 Oc1ccc(cc1Cl)NCc2cncnc2 34a_100000744943_100015196519 [0,2,0,0,0,0|1,0,0]=3 25928 B17R2.193 Oc1ccc(cc1Cl)SCc2ccccc2 62a_100000211182_100012360047 [0,2,0,0,0,0|2,0,0]=4 25929 B17R2.193 Oc1ccc(cc1Cl)SCc2ccccc2 62a_100012360047_100015291786 [0,2,0,0,0,0|2,0,0]=4 25930 B17R2.193 Oc1ccc(cc1Cl)SCc2cccnc2 62a_100000741622_100012360047 [0,2,0,0,0,0|1,0,0]=3 25931 B17R2.193 Oc1ccc(cc1Cl)SCc2cccnc2 62a_100012360047_100000741622 [0,2,0,0,0,0|1,0,0]=3 25932 B17R2.193 Oc1ccc(cc1Cl)SCc2cccnn2 62a_100012360047_100016990269 [0,2,0,0,0,0|2,0,0]=4 25933 B17R2.193 Oc1ccc(cc1Cl)SCc2cccnn2 62a_100016990269_100012360047 [0,2,0,0,0,0|2,0,0]=4 25934 B17R2.193 Oc1ccc(cc1Cl)SCc2cnccn2 62a_100012360047_100016995436 [0,2,0,0,0,0|2,0,0]=4 25935 B17R2.193 Oc1ccc(cc1Cl)SCc2cnccn2 62a_100016995436_100012360047 [0,2,0,0,0,0|2,0,0]=4 25936 B17R2.193 Oc1ccc(cc1Cl)SCc2cncnc2 62a_100012360047_100015196519 [0,2,0,0,0,0|2,0,0]=4 25937 B17R2.193 Oc1ccc(cc1Cl)SCc2cncnc2 62a_100015196519_100012360047 [0,2,0,0,0,0|2,0,0]=4 25938 B17R2.193 Oc1ccc(cc1F)C=Cc2cccnc2 271570a_100102525586_100000185481 [0,2,0,0,0,0|1,0,1]=4 25939 B17R2.193 Oc1ccc(cc1F)NCc2ccccc2 270302a_100011220035_100015611070 [0,2,0,0,0,0|1,0,0]=3 25940 B17R2.193 Oc1ccc(cc1F)NCc2ccccc2 34a_100011220035_100015291786 [0,2,0,0,0,0|1,0,0]=3 25941 B17R2.193 Oc1ccc(cc1F)NCc2ccccc2 7a_100011220035_100000211182 [0,2,0,0,0,0|1,0,0]=3 25942 B17R2.193 Oc1ccc(cc1F)NCc2ccccn2 270302a_100011220035_100000209966 [0,2,0,0,0,0|2,0,0]=4 25943 B17R2.193 Oc1ccc(cc1F)NCc2ccccn2 34a_100011220035_100000721315 [0,2,0,0,0,0|2,0,0]=4 25944 B17R2.193 Oc1ccc(cc1F)NCc2ccccn2 7a_100011220035_100000721315 [0,2,0,0,0,0|2,0,0]=4 25945 B17R2.193 Oc1ccc(cc1F)NCc2cccnc2 270302a_100011220035_100000209961 [0,2,0,0,0,0|0,0,0]=2 25946 B17R2.193 Oc1ccc(cc1F)NCc2cccnc2 34a_100011220035_100000733263 [0,2,0,0,0,0|0,0,0]=2 25947 B17R2.193 Oc1ccc(cc1F)NCc2cccnc2 7a_100011220035_100000741622 [0,2,0,0,0,0|0,0,0]=2 25948 B17R2.193 Oc1ccc(cc1F)NCc2cccnn2 34a_100011220035_100016990269 [0,2,0,0,0,0|1,0,0]=3 25949 B17R2.193 Oc1ccc(cc1F)NCc2cccnn2 7a_100011220035_100016990269 [0,2,0,0,0,0|1,0,0]=3 25950 B17R2.193 Oc1ccc(cc1F)NCc2ccncc2 7a_100011220035_100015193705 [0,2,0,0,0,0|2,0,0]=4 25951 B17R2.193 Oc1ccc(cc1F)NCc2ccnnc2 270302a_100011220035_100011934578 [0,2,0,0,0,0|1,0,0]=3 25952 B17R2.193 Oc1ccc(cc1F)NCc2cnccn2 34a_100011220035_100016995436 [0,2,0,0,0,0|1,0,0]=3 25953 B17R2.193 Oc1ccc(cc1F)NCc2cnccn2 7a_100011220035_100016995436 [0,2,0,0,0,0|1,0,0]=3 25954 B17R2.193 Oc1ccc(cc1F)NCc2cncnc2 270302a_100011220035_100000749868 [0,2,0,0,0,0|1,0,0]=3 25955 B17R2.193 Oc1ccc(cc1F)NCc2cncnc2 34a_100011220035_100015196519 [0,2,0,0,0,0|1,0,0]=3 25956 B17R2.193 Oc1ccc(cc1F)NCc2cncnc2 7a_100011220035_100015196519 [0,2,0,0,0,0|1,0,0]=3 25957 B17R2.193 Oc1ccc(cc1F)OCc2ccccc2 271570a_203496583355_200011830418 [0,2,0,0,0,0|2,0,0]=4 25958 B17R2.193 Oc1ccc(cc1F)SCc2ccccc2 62a_100000185481_100015291786 [0,2,0,0,0,0|2,0,0]=4 25959 B17R2.193 Oc1ccc(cc1F)SCc2ccccc2 62a_100000211182_100000185481 [0,2,0,0,0,0|2,0,0]=4 25960 B17R2.193 Oc1ccc(cc1F)SCc2cccnc2 62a_100000185481_100000741622 [0,2,0,0,0,0|1,0,0]=3 25961 B17R2.193 Oc1ccc(cc1F)SCc2cccnc2 62a_100000741622_100000185481 [0,2,0,0,0,0|1,0,0]=3 25962 B17R2.193 Oc1ccc(cc1F)SCc2cccnn2 62a_100000185481_100016990269 [0,2,0,0,0,0|2,0,0]=4 25963 B17R2.193 Oc1ccc(cc1F)SCc2cccnn2 62a_100016990269_100000185481 [0,2,0,0,0,0|2,0,0]=4 25964 B17R2.193 Oc1ccc(cc1F)SCc2cnccn2 62a_100000185481_100016995436 [0,2,0,0,0,0|2,0,0]=4 25965 B17R2.193 Oc1ccc(cc1F)SCc2cnccn2 62a_100016995436_100000185481 [0,2,0,0,0,0|2,0,0]=4 25966 B17R2.193 Oc1ccc(cc1F)SCc2cncnc2 62a_100000185481_100015196519 [0,2,0,0,0,0|2,0,0]=4 25967 B17R2.193 Oc1ccc(cc1F)SCc2cncnc2 62a_100015196519_100000185481 [0,2,0,0,0,0|2,0,0]=4 25968 B17R2.193 Oc1ccc(cc1O)C=Cc2cccnc2 271570a_100102525586_100009813601 [0,2,0,0,0,0|1,0,1]=4 25969 B17R2.193 Oc1ccc(cc1O)NCc2ccccc2 34a_100102946323_100015291786 [0,2,0,0,0,0|1,0,0]=3 25970 B17R2.193 Oc1ccc(cc1O)NCc2ccccn2 34a_100102946323_100000721315 [0,2,0,0,0,0|2,0,0]=4 25971 B17R2.193 Oc1ccc(cc1O)NCc2cccnc2 34a_100102946323_100000733263 [0,2,0,0,0,0|0,0,0]=2 25972 B17R2.193 Oc1ccc(cc1O)NCc2cccnn2 34a_100102946323_100016990269 [0,2,0,0,0,0|1,0,0]=3 25973 B17R2.193 Oc1ccc(cc1O)NCc2cnccn2 34a_100102946323_100016995436 [0,2,0,0,0,0|1,0,0]=3 25974 B17R2.193 Oc1ccc(cc1O)NCc2cncnc2 34a_100102946323_100015196519 [0,2,0,0,0,0|1,0,0]=3 25975 B17R2.193 Oc1ccc(cc1O)OCc2ccccc2 271570a_203496583355_100010285348 [0,2,0,0,0,0|2,0,0]=4 25976 B17R2.193 Oc1ccc(cc1O)SCc2ccccc2 62a_100000211182_100009813601 [0,2,0,0,0,0|2,0,0]=4 25977 B17R2.193 Oc1ccc(cc1O)SCc2cccnc2 62a_100000741622_100009813601 [0,2,0,0,0,0|1,0,0]=3 25978 B17R2.193 Oc1ccc(cc1O)SCc2cccnn2 62a_100016990269_100009813601 [0,2,0,0,0,0|2,0,0]=4 25979 B17R2.193 Oc1ccc(cc1O)SCc2cnccn2 62a_100016995436_100009813601 [0,2,0,0,0,0|2,0,0]=4 25980 B17R2.193 Oc1ccc(cc1O)SCc2cncnc2 62a_100015196519_100009813601 [0,2,0,0,0,0|2,0,0]=4 25981 B17R2.193 Oc1ccc(nc1Br)SCc2cccnc2 62a_100000725334_100000741622 [0,2,0,0,0,0|2,0,0]=4 25982 B17R2.193 Oc1ccc(nc1Br)SCc2cccnc2 62a_100000741622_100000725334 [0,2,0,0,0,0|2,0,0]=4 25983 B17R2.193 Oc1ccc(nc1Cl)SCc2cccnc2 62a_100000741622_100000721234 [0,2,0,0,0,0|2,0,0]=4 25984 B17R2.193 Oc1ccc(nc1F)SCc2cccnc2 62a_100000741622_100009819667 [0,2,0,0,0,0|2,0,0]=4 25985 B17R2.193 Oc1ccc(nc1F)SCc2cccnc2 62a_100009819667_100000741622 [0,2,0,0,0,0|2,0,0]=4 25986 B17R2.193 Oc1nc(ccc1F)SCc2cccnc2 62a_100000741622_100010729010 [0,2,0,0,0,0|2,0,0]=4 25987 B17R2.193 Oc1nc(ncc1F)NCc2cccnc2 27a_100000210453_100011995740 [0,2,0,0,0,0|2,0,0]=4 25988 B17R2.193 Oc1ncc(cc1Br)CNc2ccccc2 207a_100000106764_100010064886 [0,2,0,0,0,0|0,0,0]=2 25989 B17R2.193 Oc1ncc(cc1Br)CNc2ccccc2 270302a_100000106764_100010064886 [0,2,0,0,0,0|0,0,0]=2 25990 B17R2.193 Oc1ncc(cc1Cl)C#Cc2ccccc2 271570a_100000069678_100010238531 [0,2,0,0,0,0|1,0,1]=4 25991 B17R2.193 Oc1ncc(cc1Cl)C=Cc2ccccc2 271570a_100102527694_100010238531 [0,2,0,0,0,0|1,0,1]=4 25992 B17R2.193 Oc1ncc(cc1Cl)SCc2ccccc2 62a_100000211182_100010238531 [0,2,0,0,0,0|2,0,0]=4 25993 B17R2.193 Oc1ncc(cc1Cl)SCc2ccccc2 62a_100010238531_100015291786 [0,2,0,0,0,0|2,0,0]=4 25994 B17R2.193 Oc1ncc(cc1Cl)SCc2cccnc2 62a_100000741622_100010238531 [0,2,0,0,0,0|2,0,0]=4 25995 B17R2.193 Oc1ncc(cc1Cl)SCc2cccnc2 62a_100010238531_100000741622 [0,2,0,0,0,0|2,0,0]=4 25996 B17R2.207 Brc1ccc(cc1)C=Cc2ccc(nc2)Br 271570a_100102527914_100009814638 [0,2,0,0,0,0|1,0,1]=4 25997 B17R2.207 Brc1ccc(cc1)CNc2ccc(cc2)Br 207a_100000210018_100000186029 [0,2,0,0,0,0|1,0,0]=3 25998 B17R2.207 Brc1ccc(cc1)CNc2ccc(cc2)Br 2230a_100000210018_100011217064 [0,2,0,0,0,0|1,0,0]=3 25999 B17R2.207 Brc1ccc(cc1)CNc2ccc(cc2)Br 270302a_100000210018_100000186029 [0,2,0,0,0,0|1,0,0]=3 26000 B17R2.207 Brc1ccc(cc1)CNc2ccc(cc2)Br 34a_100000210018_100000189115 [0,2,0,0,0,0|1,0,0]=3 26001 B17R2.207 Brc1ccc(cc1)CNc2ccc(cc2)I 207a_100000185761_100000186029 [0,2,0,0,0,0|1,0,0]=3 26002 B17R2.207 Brc1ccc(cc1)CNc2ccc(cc2)I 270302a_100000185761_100000186029 [0,2,0,0,0,0|1,0,0]=3 26003 B17R2.207 Brc1ccc(cc1)CNc2ccc(cc2)I 34a_100000185761_100000189115 [0,2,0,0,0,0|1,0,0]=3 26004 B17R2.207 Brc1ccc(cc1)CNc2ccc(cn2)Br 27a_100000174875_100000686858 [0,2,0,0,0,0|2,0,0]=4 26005 B17R2.207 Brc1ccc(cc1)COc2ccc(cc2)Br 34a_100000185759_100000189115 [0,2,0,0,0,0|2,0,0]=4 26006 B17R2.207 Brc1ccc(cc1)COc2ccc(cc2)Br 7a_100000185759_100011217064 [0,2,0,0,0,0|2,0,0]=4 26007 B17R2.207 Brc1ccc(cc1)COc2ccc(cc2)I 34a_100000212066_100000189115 [0,2,0,0,0,0|2,0,0]=4 26008 B17R2.207 Brc1ccc(cc1)COc2ccc(cc2)I 7a_100000212066_100011217064 [0,2,0,0,0,0|2,0,0]=4 26009 B17R2.207 Brc1ccc(cc1)COc2ccc(nc2)Br 34a_100000685995_100000189115 [0,2,0,0,0,0|2,0,0]=4 26010 B17R2.207 Brc1ccc(cc1)COc2ccc(nc2)Br 7a_100000685995_100011217064 [0,2,0,0,0,0|2,0,0]=4 26011 B17R2.207 Brc1ccc(cc1)COc2ccc(nc2)I 34a_100000687607_100000189115 [0,2,0,0,0,0|2,0,0]=4 26012 B17R2.207 Brc1ccc(cc1)COc2ccc(nc2)I 7a_100000687607_100011217064 [0,2,0,0,0,0|2,0,0]=4 26013 B17R2.207 Brc1ccc(cc1)CSc2ccc(cc2)Br 62a_100000189115_100000752885 [0,2,0,0,0,0|2,0,0]=4 26014 B17R2.207 Brc1ccc(cc1)CSc2ccc(cc2)Br 62a_100000752885_100000189115 [0,2,0,0,0,0|2,0,0]=4 26015 B17R2.207 Brc1ccc(cc1)CSc2ccc(nc2)Br 62a_100000189115_100009814638 [0,2,0,0,0,0|2,0,0]=4 26016 B17R2.207 Brc1ccc(cc1)CSc2ccc(nc2)Br 62a_100009814638_100000189115 [0,2,0,0,0,0|2,0,0]=4 26017 B17R2.207 Brc1ccc(cc1)NCc2ccc(cc2)I 207a_100000210018_100000188517 [0,2,0,0,0,0|1,0,0]=3 26018 B17R2.207 Brc1ccc(cc1)NCc2ccc(cc2)I 2230a_100000210018_100000189116 [0,2,0,0,0,0|1,0,0]=3 26019 B17R2.207 Brc1ccc(cc1)NCc2ccc(cc2)I 270302a_100000210018_100000188517 [0,2,0,0,0,0|1,0,0]=3 26020 B17R2.207 Brc1ccc(cc1)NCc2ccc(cc2)I 34a_100000210018_100000189116 [0,2,0,0,0,0|1,0,0]=3 26021 B17R2.207 Brc1ccc(cc1)NCc2ccc(cn2)Br 207a_100000210018_100000754260 [0,2,0,0,0,0|2,0,0]=4 26022 B17R2.207 Brc1ccc(cc1)NCc2ccc(cn2)Br 2230a_100000210018_100000702658 [0,2,0,0,0,0|2,0,0]=4 26023 B17R2.207 Brc1ccc(cc1)NCc2ccc(cn2)Br 270302a_100000210018_100000754260 [0,2,0,0,0,0|2,0,0]=4 26024 B17R2.207 Brc1ccc(cc1)NCc2ccc(cn2)Br 34a_100000210018_100000702658 [0,2,0,0,0,0|2,0,0]=4 26025 B17R2.207 Brc1ccc(cc1)NCc2ccc(nc2)Br 2230a_100000210018_100009831999 [0,2,0,0,0,0|0,0,0]=2 26026 B17R2.207 Brc1ccc(cc1)NCc2ccc(nc2)Br 34a_100000210018_100009831999 [0,2,0,0,0,0|0,0,0]=2 26027 B17R2.207 Brc1ccc(cc1)OCc2ccc(cc2)I 34a_100000185759_100000189116 [0,2,0,0,0,0|2,0,0]=4 26028 B17R2.207 Brc1ccc(cc1)OCc2ccc(cc2)I 7a_100000185759_100000189116 [0,2,0,0,0,0|2,0,0]=4 26029 B17R2.207 Brc1ccc(cc1)OCc2ccc(nc2)Br 34a_100000185759_100009831999 [0,2,0,0,0,0|1,0,0]=3 26030 B17R2.207 Brc1ccc(cc1)OCc2ccc(nc2)Br 7a_100000185759_100009831999 [0,2,0,0,0,0|1,0,0]=3 26031 B17R2.207 Brc1ccc(cc1)SCc2ccc(cc2)I 62a_100000189116_100000752885 [0,2,0,0,0,0|2,0,0]=4 26032 B17R2.207 Brc1ccc(cc1)SCc2ccc(cc2)I 62a_100000752885_100000189116 [0,2,0,0,0,0|2,0,0]=4 26033 B17R2.207 Brc1ccc(cc1)SCc2ccc(nc2)Br 62a_100000752885_100009831999 [0,2,0,0,0,0|1,0,0]=3 26034 B17R2.207 Brc1ccc(cc1)SCc2ccc(nc2)Br 62a_100009831999_100000752885 [0,2,0,0,0,0|1,0,0]=3 26035 B17R2.207 Brc1ccc(cn1)CNc2ccc(cc2)I 34a_100000185761_100009831999 [0,2,0,0,0,0|0,0,0]=2 26036 B17R2.207 Brc1ccc(cn1)CNc2cnc(cn2)Br 27a_100009817727_100010187541 [0,2,0,0,0,0|2,0,0]=4 26037 B17R2.207 Brc1ccc(cn1)COc2ccc(cc2)I 34a_100000212066_100009831999 [0,2,0,0,0,0|1,0,0]=3 26038 B17R2.207 Brc1ccc(cn1)COc2ccc(cc2)I 7a_100000212066_100009831999 [0,2,0,0,0,0|1,0,0]=3 26039 B17R2.207 Brc1ccc(cn1)COc2ccc(nc2)Br 34a_100000685995_100009831999 [0,2,0,0,0,0|2,0,0]=4 26040 B17R2.207 Brc1ccc(cn1)COc2ccc(nc2)Br 7a_100000685995_100009831999 [0,2,0,0,0,0|2,0,0]=4 26041 B17R2.207 Brc1ccc(cn1)COc2ccc(nc2)I 34a_100000687607_100009831999 [0,2,0,0,0,0|2,0,0]=4 26042 B17R2.207 Brc1ccc(cn1)COc2ccc(nc2)I 7a_100000687607_100009831999 [0,2,0,0,0,0|2,0,0]=4 26043 B17R2.207 Brc1ccc(cn1)CSc2ccc(nc2)Br 62a_100009814638_100009831999 [0,2,0,0,0,0|2,0,0]=4 26044 B17R2.207 Brc1ccc(cn1)CSc2ccc(nc2)Br 62a_100009831999_100009814638 [0,2,0,0,0,0|2,0,0]=4 26045 B17R2.207 Brc1ccc(cn1)OCc2ccc(cc2)I 34a_100000685995_100000189116 [0,2,0,0,0,0|2,0,0]=4 26046 B17R2.207 Brc1ccc(cn1)OCc2ccc(cc2)I 7a_100000685995_100000189116 [0,2,0,0,0,0|2,0,0]=4 26047 B17R2.207 Brc1ccc(cn1)SCc2ccc(cc2)I 62a_100000189116_100009814638 [0,2,0,0,0,0|2,0,0]=4 26048 B17R2.207 Brc1ccc(cn1)SCc2ccc(cc2)I 62a_100009814638_100000189116 [0,2,0,0,0,0|2,0,0]=4 26049 B17R2.207 Brc1ccc(nc1)CNc2ccc(cc2)I 207a_100000185761_100000754260 [0,2,0,0,0,0|2,0,0]=4 26050 B17R2.207 Brc1ccc(nc1)CNc2ccc(cc2)I 270302a_100000185761_100000754260 [0,2,0,0,0,0|2,0,0]=4 26051 B17R2.207 Brc1ccc(nc1)CNc2ccc(cc2)I 34a_100000185761_100000702658 [0,2,0,0,0,0|2,0,0]=4 26052 B17R2.207 Brc1ccc(nc1)NCc2ccc(cc2)I 27a_100016989417_100000686858 [0,2,0,0,0,0|2,0,0]=4 26053 B17R2.207 Brc1ccc(nc1)NCc2ccc(nc2)Br 27a_100009817727_100000686858 [0,2,0,0,0,0|1,0,0]=3 26054 B17R2.207 Brc1ccc(nc1)SCc2ccc(nc2)Br 62a_100000686858_100009831999 [0,2,0,0,0,0|2,0,0]=4 26055 B17R2.207 Brc1ccc(nc1)SCc2ccc(nc2)Br 62a_100009831999_100000686858 [0,2,0,0,0,0|2,0,0]=4 26056 B17R2.207 Brc1cnc(nc1)NCc2ccc(nc2)Br 27a_100009817727_100000690281 [0,2,0,0,0,0|2,0,0]=4 26057 B17R2.207 Cc1ccc(cc1)C=Cc2ccc(nc2)Br 271570a_100102527916_100009814638 [0,2,0,0,0,0|1,0,1]=4 26058 B17R2.207 Cc1ccc(cc1)C=Cc2ccc(nc2)C 271570a_100102527916_100000751577 [0,2,0,0,0,0|1,0,1]=4 26059 B17R2.207 Cc1ccc(cc1)C=Cc2ccc(nc2)Cl 271570a_100102527916_100000034144 [0,2,0,0,0,0|1,0,1]=4 26060 B17R2.207 Cc1ccc(cc1)C=Cc2ccc(nc2)F 271570a_100102527916_100000748661 [0,2,0,0,0,0|1,0,1]=4 26061 B17R2.207 Cc1ccc(cc1)C=Cc2ccc(nc2)N 271570a_100102527916_100000187370 [0,2,0,0,0,0|1,0,1]=4 26062 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)Br 207a_100000210018_100000211033 [0,2,0,0,0,0|1,0,0]=3 26063 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)Br 2230a_100000210018_100000210814 [0,2,0,0,0,0|1,0,0]=3 26064 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)Br 270302a_100000210018_100000211033 [0,2,0,0,0,0|1,0,0]=3 26065 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)Br 34a_100000210018_100000210814 [0,2,0,0,0,0|1,0,0]=3 26066 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)C 207a_100000124888_100000211033 [0,2,0,0,0,0|1,0,0]=3 26067 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)C 270302a_100000124888_100000211033 [0,2,0,0,0,0|1,0,0]=3 26068 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)C 34a_100000124888_100000210814 [0,2,0,0,0,0|1,0,0]=3 26069 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)Cl 207a_100000210052_100000211033 [0,2,0,0,0,0|1,0,0]=3 26070 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)Cl 2230a_100000210052_100000210814 [0,2,0,0,0,0|1,0,0]=3 26071 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)Cl 270302a_100000210052_100000211033 [0,2,0,0,0,0|1,0,0]=3 26072 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)Cl 34a_100000210052_100000210814 [0,2,0,0,0,0|1,0,0]=3 26073 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)F 207a_100000185862_100000211033 [0,2,0,0,0,0|1,0,0]=3 26074 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)F 270302a_100000185862_100000211033 [0,2,0,0,0,0|1,0,0]=3 26075 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)F 34a_100000185862_100000210814 [0,2,0,0,0,0|1,0,0]=3 26076 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)I 207a_100000185761_100000211033 [0,2,0,0,0,0|1,0,0]=3 26077 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)I 270302a_100000185761_100000211033 [0,2,0,0,0,0|1,0,0]=3 26078 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)I 34a_100000185761_100000210814 [0,2,0,0,0,0|1,0,0]=3 26079 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)O 270302a_100000185829_100000211033 [0,2,0,0,0,0|1,0,0]=3 26080 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)O 34a_100000185829_100000210814 [0,2,0,0,0,0|1,0,0]=3 26081 B17R2.207 Cc1ccc(cc1)CNc2ccc(cn2)Br 27a_100000174908_100000686858 [0,2,0,0,0,0|2,0,0]=4 26082 B17R2.207 Cc1ccc(cc1)COc2ccc(cc2)Br 34a_100000185759_100000210814 [0,2,0,0,0,0|2,0,0]=4 26083 B17R2.207 Cc1ccc(cc1)COc2ccc(cc2)Br 7a_100000185759_100000210814 [0,2,0,0,0,0|2,0,0]=4 26084 B17R2.207 Cc1ccc(cc1)COc2ccc(cc2)C 34a_100000210336_100000210814 [0,2,0,0,0,0|2,0,0]=4 26085 B17R2.207 Cc1ccc(cc1)COc2ccc(cc2)C 7a_100000210336_100000210814 [0,2,0,0,0,0|2,0,0]=4 26086 B17R2.207 Cc1ccc(cc1)COc2ccc(cc2)Cl 34a_100000210216_100000210814 [0,2,0,0,0,0|2,0,0]=4 26087 B17R2.207 Cc1ccc(cc1)COc2ccc(cc2)Cl 7a_100000210216_100000210814 [0,2,0,0,0,0|2,0,0]=4 26088 B17R2.207 Cc1ccc(cc1)COc2ccc(cc2)F 34a_100000210339_100000210814 [0,2,0,0,0,0|2,0,0]=4 26089 B17R2.207 Cc1ccc(cc1)COc2ccc(cc2)I 34a_100000212066_100000210814 [0,2,0,0,0,0|2,0,0]=4 26090 B17R2.207 Cc1ccc(cc1)COc2ccc(cc2)I 7a_100000212066_100000210814 [0,2,0,0,0,0|2,0,0]=4 26091 B17R2.207 Cc1ccc(cc1)COc2ccc(cc2)N 34a_100000185829_100000210814 [0,2,0,0,0,0|2,0,0]=4 26092 B17R2.207 Cc1ccc(cc1)COc2ccc(nc2)Br 34a_100000685995_100000210814 [0,2,0,0,0,0|2,0,0]=4 26093 B17R2.207 Cc1ccc(cc1)COc2ccc(nc2)Br 7a_100000685995_100000210814 [0,2,0,0,0,0|2,0,0]=4 26094 B17R2.207 Cc1ccc(cc1)COc2ccc(nc2)C 34a_100000745506_100000210814 [0,2,0,0,0,0|2,0,0]=4 26095 B17R2.207 Cc1ccc(cc1)COc2ccc(nc2)C 7a_100000745506_100000210814 [0,2,0,0,0,0|2,0,0]=4 26096 B17R2.207 Cc1ccc(cc1)COc2ccc(nc2)Cl 34a_100000744096_100000210814 [0,2,0,0,0,0|2,0,0]=4 26097 B17R2.207 Cc1ccc(cc1)COc2ccc(nc2)Cl 7a_100000744096_100000210814 [0,2,0,0,0,0|2,0,0]=4 26098 B17R2.207 Cc1ccc(cc1)COc2ccc(nc2)F 34a_100000688820_100000210814 [0,2,0,0,0,0|2,0,0]=4 26099 B17R2.207 Cc1ccc(cc1)COc2ccc(nc2)F 7a_100000688820_100000210814 [0,2,0,0,0,0|2,0,0]=4 26100 B17R2.207 Cc1ccc(cc1)COc2ccc(nc2)I 34a_100000687607_100000210814 [0,2,0,0,0,0|2,0,0]=4 26101 B17R2.207 Cc1ccc(cc1)COc2ccc(nc2)I 7a_100000687607_100000210814 [0,2,0,0,0,0|2,0,0]=4 26102 B17R2.207 Cc1ccc(cc1)COc2ccc(nc2)N 34a_100015188713_100000210814 [0,2,0,0,0,0|2,0,0]=4 26103 B17R2.207 Cc1ccc(cc1)COc2ccc(nc2)N 7a_100015188713_100000210814 [0,2,0,0,0,0|2,0,0]=4 26104 B17R2.207 Cc1ccc(cc1)CSc2ccc(cc2)Br 62a_100000210814_100000752885 [0,2,0,0,0,0|2,0,0]=4 26105 B17R2.207 Cc1ccc(cc1)CSc2ccc(cc2)Br 62a_100000752885_100000210814 [0,2,0,0,0,0|2,0,0]=4 26106 B17R2.207 Cc1ccc(cc1)CSc2ccc(cc2)C 62a_100000186775_100000210814 [0,2,0,0,0,0|2,0,0]=4 26107 B17R2.207 Cc1ccc(cc1)CSc2ccc(cc2)C 62a_100000210814_100000186775 [0,2,0,0,0,0|2,0,0]=4 26108 B17R2.207 Cc1ccc(cc1)CSc2ccc(cc2)Cl 62a_100000210814_100000755918 [0,2,0,0,0,0|2,0,0]=4 26109 B17R2.207 Cc1ccc(cc1)CSc2ccc(cc2)Cl 62a_100000755918_100000210814 [0,2,0,0,0,0|2,0,0]=4 26110 B17R2.207 Cc1ccc(cc1)CSc2ccc(cc2)F 62a_100000210814_100000211213 [0,2,0,0,0,0|2,0,0]=4 26111 B17R2.207 Cc1ccc(cc1)CSc2ccc(cc2)F 62a_100000211213_100000210814 [0,2,0,0,0,0|2,0,0]=4 26112 B17R2.207 Cc1ccc(cc1)CSc2ccc(cc2)N 62a_100000185761_100000210814 [0,2,0,0,0,0|2,0,0]=4 26113 B17R2.207 Cc1ccc(cc1)CSc2ccc(cc2)N 62a_100000210814_100000185761 [0,2,0,0,0,0|2,0,0]=4 26114 B17R2.207 Cc1ccc(cc1)CSc2ccc(cc2)O 62a_100000210814_100000185759 [0,2,0,0,0,0|2,0,0]=4 26115 B17R2.207 Cc1ccc(cc1)CSc2ccc(nc2)Br 62a_100000210814_100009814638 [0,2,0,0,0,0|2,0,0]=4 26116 B17R2.207 Cc1ccc(cc1)CSc2ccc(nc2)Br 62a_100009814638_100000210814 [0,2,0,0,0,0|2,0,0]=4 26117 B17R2.207 Cc1ccc(cc1)CSc2ccc(nc2)C 62a_100000210814_100000751577 [0,2,0,0,0,0|2,0,0]=4 26118 B17R2.207 Cc1ccc(cc1)CSc2ccc(nc2)C 62a_100000751577_100000210814 [0,2,0,0,0,0|2,0,0]=4 26119 B17R2.207 Cc1ccc(cc1)CSc2ccc(nc2)Cl 62a_100000034144_100000210814 [0,2,0,0,0,0|2,0,0]=4 26120 B17R2.207 Cc1ccc(cc1)CSc2ccc(nc2)Cl 62a_100000210814_100000034144 [0,2,0,0,0,0|2,0,0]=4 26121 B17R2.207 Cc1ccc(cc1)CSc2ccc(nc2)F 62a_100000042367_100000210814 [0,2,0,0,0,0|2,0,0]=4 26122 B17R2.207 Cc1ccc(cc1)CSc2ccc(nc2)F 62a_100000210814_100000042367 [0,2,0,0,0,0|2,0,0]=4 26123 B17R2.207 Cc1ccc(cc1)CSc2ccc(nc2)N 62a_100000187370_100000210814 [0,2,0,0,0,0|2,0,0]=4 26124 B17R2.207 Cc1ccc(cc1)CSc2ccc(nc2)N 62a_100000210814_100000187370 [0,2,0,0,0,0|2,0,0]=4 26125 B17R2.207 Cc1ccc(cc1)NCc2ccc(=O)[nH]n2 207a_100000124888_100011361533 [0,2,0,0,0,0|1,0,1]=4 26126 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)Br 207a_100000124888_100000186029 [0,2,0,0,0,0|1,0,0]=3 26127 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)Br 270302a_100000124888_100000186029 [0,2,0,0,0,0|1,0,0]=3 26128 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)Br 34a_100000124888_100000189115 [0,2,0,0,0,0|1,0,0]=3 26129 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)Cl 207a_100000124888_100000189385 [0,2,0,0,0,0|1,0,0]=3 26130 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)Cl 270302a_100000124888_100000189385 [0,2,0,0,0,0|1,0,0]=3 26131 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)Cl 34a_100000124888_100000694040 [0,2,0,0,0,0|1,0,0]=3 26132 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)F 207a_100000124888_100000210084 [0,2,0,0,0,0|1,0,0]=3 26133 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)F 270302a_100000124888_100000210084 [0,2,0,0,0,0|1,0,0]=3 26134 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)F 34a_100000124888_100000198546 [0,2,0,0,0,0|1,0,0]=3 26135 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)I 207a_100000124888_100000188517 [0,2,0,0,0,0|1,0,0]=3 26136 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)I 270302a_100000124888_100000188517 [0,2,0,0,0,0|1,0,0]=3 26137 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)I 34a_100000124888_100000189116 [0,2,0,0,0,0|1,0,0]=3 26138 B17R2.207 Cc1ccc(cc1)NCc2ccc(cn2)Br 207a_100000124888_100000754260 [0,2,0,0,0,0|2,0,0]=4 26139 B17R2.207 Cc1ccc(cc1)NCc2ccc(cn2)Br 270302a_100000124888_100000754260 [0,2,0,0,0,0|2,0,0]=4 26140 B17R2.207 Cc1ccc(cc1)NCc2ccc(cn2)Br 34a_100000124888_100000702658 [0,2,0,0,0,0|2,0,0]=4 26141 B17R2.207 Cc1ccc(cc1)NCc2ccc(cn2)C 207a_100000124888_100000050478 [0,2,0,0,0,0|2,0,0]=4 26142 B17R2.207 Cc1ccc(cc1)NCc2ccc(cn2)C 34a_100000124888_100000691093 [0,2,0,0,0,0|2,0,0]=4 26143 B17R2.207 Cc1ccc(cc1)NCc2ccc(cn2)Cl 207a_100000124888_100011361569 [0,2,0,0,0,0|2,0,0]=4 26144 B17R2.207 Cc1ccc(cc1)NCc2ccc(cn2)Cl 270302a_100000124888_100011361569 [0,2,0,0,0,0|2,0,0]=4 26145 B17R2.207 Cc1ccc(cc1)NCc2ccc(cn2)Cl 34a_100000124888_100012066911 [0,2,0,0,0,0|2,0,0]=4 26146 B17R2.207 Cc1ccc(cc1)NCc2ccc(cn2)F 207a_100000124888_100011934744 [0,2,0,0,0,0|2,0,0]=4 26147 B17R2.207 Cc1ccc(cc1)NCc2ccc(cn2)F 34a_100000124888_100000703193 [0,2,0,0,0,0|2,0,0]=4 26148 B17R2.207 Cc1ccc(cc1)NCc2ccc(nc2)Br 34a_100000124888_100009831999 [0,2,0,0,0,0|0,0,0]=2 26149 B17R2.207 Cc1ccc(cc1)NCc2ccc(nc2)C 270302a_100000124888_100000743784 [0,2,0,0,0,0|0,0,0]=2 26150 B17R2.207 Cc1ccc(cc1)NCc2ccc(nc2)C 34a_100000124888_100016987292 [0,2,0,0,0,0|0,0,0]=2 26151 B17R2.207 Cc1ccc(cc1)NCc2ccc(nc2)Cl 270302a_100000124888_100000766901 [0,2,0,0,0,0|0,0,0]=2 26152 B17R2.207 Cc1ccc(cc1)NCc2ccc(nc2)Cl 34a_100000124888_100000735431 [0,2,0,0,0,0|0,0,0]=2 26153 B17R2.207 Cc1ccc(cc1)NCc2ccc(nc2)F 270302a_100000124888_100000068566 [0,2,0,0,0,0|0,0,0]=2 26154 B17R2.207 Cc1ccc(cc1)NCc2ccc(nc2)F 34a_100000124888_100000099788 [0,2,0,0,0,0|0,0,0]=2 26155 B17R2.207 Cc1ccc(cc1)NCc2ccc(nc2)O 207a_100000124888_100011361521 [0,2,0,0,0,0|0,0,0]=2 26156 B17R2.207 Cc1ccc(cc1)NCc2ccc(nc2)O 270302a_100000124888_100011361521 [0,2,0,0,0,0|0,0,0]=2 26157 B17R2.207 Cc1ccc(cc1)NCc2ccc(nn2)Cl 34a_100000124888_100016992710 [0,2,0,0,0,0|1,0,0]=3 26158 B17R2.207 Cc1ccc(cc1)OCc2ccc(cc2)Br 34a_100000210336_100000189115 [0,2,0,0,0,0|2,0,0]=4 26159 B17R2.207 Cc1ccc(cc1)OCc2ccc(cc2)Br 7a_100000210336_100011217064 [0,2,0,0,0,0|2,0,0]=4 26160 B17R2.207 Cc1ccc(cc1)OCc2ccc(cc2)Cl 34a_100000210336_100000694040 [0,2,0,0,0,0|2,0,0]=4 26161 B17R2.207 Cc1ccc(cc1)OCc2ccc(cc2)Cl 7a_100000210336_100000187161 [0,2,0,0,0,0|2,0,0]=4 26162 B17R2.207 Cc1ccc(cc1)OCc2ccc(cc2)F 34a_100000210336_100000198546 [0,2,0,0,0,0|2,0,0]=4 26163 B17R2.207 Cc1ccc(cc1)OCc2ccc(cc2)F 7a_100000210336_100000198546 [0,2,0,0,0,0|2,0,0]=4 26164 B17R2.207 Cc1ccc(cc1)OCc2ccc(cc2)I 34a_100000210336_100000189116 [0,2,0,0,0,0|2,0,0]=4 26165 B17R2.207 Cc1ccc(cc1)OCc2ccc(cc2)I 7a_100000210336_100000189116 [0,2,0,0,0,0|2,0,0]=4 26166 B17R2.207 Cc1ccc(cc1)OCc2ccc(nc2)Br 34a_100000210336_100009831999 [0,2,0,0,0,0|1,0,0]=3 26167 B17R2.207 Cc1ccc(cc1)OCc2ccc(nc2)Br 7a_100000210336_100009831999 [0,2,0,0,0,0|1,0,0]=3 26168 B17R2.207 Cc1ccc(cc1)OCc2ccc(nc2)C 34a_100000210336_100016987292 [0,2,0,0,0,0|1,0,0]=3 26169 B17R2.207 Cc1ccc(cc1)OCc2ccc(nc2)C 7a_100000210336_100016987292 [0,2,0,0,0,0|1,0,0]=3 26170 B17R2.207 Cc1ccc(cc1)OCc2ccc(nc2)Cl 34a_100000210336_100000735431 [0,2,0,0,0,0|1,0,0]=3 26171 B17R2.207 Cc1ccc(cc1)OCc2ccc(nc2)Cl 7a_100000210336_100000735431 [0,2,0,0,0,0|1,0,0]=3 26172 B17R2.207 Cc1ccc(cc1)OCc2ccc(nc2)F 34a_100000210336_100000099788 [0,2,0,0,0,0|1,0,0]=3 26173 B17R2.207 Cc1ccc(cc1)OCc2ccc(nc2)F 7a_100000210336_100009820150 [0,2,0,0,0,0|1,0,0]=3 26174 B17R2.207 Cc1ccc(cc1)OCc2ccc(nn2)Cl 34a_100000210336_100016992710 [0,2,0,0,0,0|2,0,0]=4 26175 B17R2.207 Cc1ccc(cc1)OCc2ccc(nn2)Cl 7a_100000210336_100016992710 [0,2,0,0,0,0|2,0,0]=4 26176 B17R2.207 Cc1ccc(cc1)OCc2cnc(cn2)C 7a_100000210336_100000752025 [0,2,0,0,0,0|2,0,0]=4 26177 B17R2.207 Cc1ccc(cc1)SCc2ccc(cc2)Br 62a_100000186775_100000189115 [0,2,0,0,0,0|2,0,0]=4 26178 B17R2.207 Cc1ccc(cc1)SCc2ccc(cc2)Br 62a_100000189115_100000186775 [0,2,0,0,0,0|2,0,0]=4 26179 B17R2.207 Cc1ccc(cc1)SCc2ccc(cc2)Cl 62a_100000186775_100000187161 [0,2,0,0,0,0|2,0,0]=4 26180 B17R2.207 Cc1ccc(cc1)SCc2ccc(cc2)Cl 62a_100000187161_100000186775 [0,2,0,0,0,0|2,0,0]=4 26181 B17R2.207 Cc1ccc(cc1)SCc2ccc(cc2)F 62a_100000186775_100000187164 [0,2,0,0,0,0|2,0,0]=4 26182 B17R2.207 Cc1ccc(cc1)SCc2ccc(cc2)F 62a_100000198546_100000186775 [0,2,0,0,0,0|2,0,0]=4 26183 B17R2.207 Cc1ccc(cc1)SCc2ccc(cc2)I 62a_100000186775_100000189116 [0,2,0,0,0,0|2,0,0]=4 26184 B17R2.207 Cc1ccc(cc1)SCc2ccc(cc2)I 62a_100000189116_100000186775 [0,2,0,0,0,0|2,0,0]=4 26185 B17R2.207 Cc1ccc(cc1)SCc2ccc(nc2)Br 62a_100000186775_100009831999 [0,2,0,0,0,0|1,0,0]=3 26186 B17R2.207 Cc1ccc(cc1)SCc2ccc(nc2)Br 62a_100009831999_100000186775 [0,2,0,0,0,0|1,0,0]=3 26187 B17R2.207 Cc1ccc(cc1)SCc2ccc(nc2)C 62a_100000186775_100016987292 [0,2,0,0,0,0|1,0,0]=3 26188 B17R2.207 Cc1ccc(cc1)SCc2ccc(nc2)C 62a_100016987292_100000186775 [0,2,0,0,0,0|1,0,0]=3 26189 B17R2.207 Cc1ccc(cc1)SCc2ccc(nc2)Cl 62a_100000186775_100000735431 [0,2,0,0,0,0|1,0,0]=3 26190 B17R2.207 Cc1ccc(cc1)SCc2ccc(nc2)Cl 62a_100000735431_100000186775 [0,2,0,0,0,0|1,0,0]=3 26191 B17R2.207 Cc1ccc(cc1)SCc2ccc(nc2)F 62a_100000186775_100000099788 [0,2,0,0,0,0|1,0,0]=3 26192 B17R2.207 Cc1ccc(cc1)SCc2ccc(nc2)F 62a_100009820150_100000186775 [0,2,0,0,0,0|1,0,0]=3 26193 B17R2.207 Cc1ccc(cc1)SCc2ccc(nn2)Cl 62a_100000186775_100016992710 [0,2,0,0,0,0|2,0,0]=4 26194 B17R2.207 Cc1ccc(cc1)SCc2ccc(nn2)Cl 62a_100016992710_100000186775 [0,2,0,0,0,0|2,0,0]=4 26195 B17R2.207 Cc1ccc(cc1)SCc2cnc(cn2)C 62a_100000186775_100000752025 [0,2,0,0,0,0|2,0,0]=4 26196 B17R2.207 Cc1ccc(cc1)SCc2cnc(cn2)C 62a_100000752025_100000186775 [0,2,0,0,0,0|2,0,0]=4 26197 B17R2.207 Cc1ccc(cn1)C=Cc2ccc(cc2)Br 271570a_100102527914_100000751577 [0,2,0,0,0,0|1,0,1]=4 26198 B17R2.207 Cc1ccc(cn1)C=Cc2ccc(cc2)Cl 271570a_100102527930_100000751577 [0,2,0,0,0,0|1,0,1]=4 26199 B17R2.207 Cc1ccc(cn1)C=Cc2ccc(cc2)F 271570a_100102525539_100000751577 [0,2,0,0,0,0|1,0,1]=4 26200 B17R2.207 Cc1ccc(cn1)CNc2ccc(cc2)Br 2230a_100000210018_100016987292 [0,2,0,0,0,0|0,0,0]=2 26201 B17R2.207 Cc1ccc(cn1)CNc2ccc(cc2)Br 270302a_100000210018_100000743784 [0,2,0,0,0,0|0,0,0]=2 26202 B17R2.207 Cc1ccc(cn1)CNc2ccc(cc2)Br 34a_100000210018_100016987292 [0,2,0,0,0,0|0,0,0]=2 26203 B17R2.207 Cc1ccc(cn1)CNc2ccc(cc2)Cl 2230a_100000210052_100016987292 [0,2,0,0,0,0|0,0,0]=2 26204 B17R2.207 Cc1ccc(cn1)CNc2ccc(cc2)Cl 270302a_100000210052_100000743784 [0,2,0,0,0,0|0,0,0]=2 26205 B17R2.207 Cc1ccc(cn1)CNc2ccc(cc2)Cl 34a_100000210052_100016987292 [0,2,0,0,0,0|0,0,0]=2 26206 B17R2.207 Cc1ccc(cn1)CNc2ccc(cc2)F 270302a_100000185862_100000743784 [0,2,0,0,0,0|0,0,0]=2 26207 B17R2.207 Cc1ccc(cn1)CNc2ccc(cc2)F 34a_100000185862_100016987292 [0,2,0,0,0,0|0,0,0]=2 26208 B17R2.207 Cc1ccc(cn1)CNc2ccc(cc2)I 270302a_100000185761_100000743784 [0,2,0,0,0,0|0,0,0]=2 26209 B17R2.207 Cc1ccc(cn1)CNc2ccc(cc2)I 34a_100000185761_100016987292 [0,2,0,0,0,0|0,0,0]=2 26210 B17R2.207 Cc1ccc(cn1)CNc2ccc(cc2)O 270302a_100000185829_100000743784 [0,2,0,0,0,0|0,0,0]=2 26211 B17R2.207 Cc1ccc(cn1)CNc2ccc(cc2)O 34a_100000185829_100016987292 [0,2,0,0,0,0|0,0,0]=2 26212 B17R2.207 Cc1ccc(cn1)CNc2ccc(cn2)Br 27a_100000740942_100000686858 [0,2,0,0,0,0|1,0,0]=3 26213 B17R2.207 Cc1ccc(cn1)CNc2ccc(nn2)C 27a_100000740942_100000744512 [0,2,0,0,0,0|2,0,0]=4 26214 B17R2.207 Cc1ccc(cn1)CNc2cnc(cn2)Br 27a_100000740942_100010187541 [0,2,0,0,0,0|2,0,0]=4 26215 B17R2.207 Cc1ccc(cn1)CNc2cnc(cn2)C 27a_100000740942_100000074397 [0,2,0,0,0,0|2,0,0]=4 26216 B17R2.207 Cc1ccc(cn1)CNc2cnc(cn2)F 27a_100000740942_100009856528 [0,2,0,0,0,0|2,0,0]=4 26217 B17R2.207 Cc1ccc(cn1)CNc2ncc(cn2)Br 27a_100000740942_100000690281 [0,2,0,0,0,0|2,0,0]=4 26218 B17R2.207 Cc1ccc(cn1)CNc2ncc(cn2)Cl 27a_100000740942_100011356929 [0,2,0,0,0,0|2,0,0]=4 26219 B17R2.207 Cc1ccc(cn1)CNc2ncc(cn2)F 27a_100000740942_100000685220 [0,2,0,0,0,0|2,0,0]=4 26220 B17R2.207 Cc1ccc(cn1)COc2ccc(=O)[nH]c2 34a_100000075641_100016987292 [0,2,0,0,0,0|2,0,0]=4 26221 B17R2.207 Cc1ccc(cn1)COc2ccc(cc2)Br 34a_100000185759_100016987292 [0,2,0,0,0,0|1,0,0]=3 26222 B17R2.207 Cc1ccc(cn1)COc2ccc(cc2)Br 7a_100000185759_100016987292 [0,2,0,0,0,0|1,0,0]=3 26223 B17R2.207 Cc1ccc(cn1)COc2ccc(cc2)Cl 34a_100000210216_100016987292 [0,2,0,0,0,0|1,0,0]=3 26224 B17R2.207 Cc1ccc(cn1)COc2ccc(cc2)Cl 7a_100000210216_100016987292 [0,2,0,0,0,0|1,0,0]=3 26225 B17R2.207 Cc1ccc(cn1)COc2ccc(cc2)F 34a_100000210339_100016987292 [0,2,0,0,0,0|1,0,0]=3 26226 B17R2.207 Cc1ccc(cn1)COc2ccc(cc2)I 34a_100000212066_100016987292 [0,2,0,0,0,0|1,0,0]=3 26227 B17R2.207 Cc1ccc(cn1)COc2ccc(cc2)I 7a_100000212066_100016987292 [0,2,0,0,0,0|1,0,0]=3 26228 B17R2.207 Cc1ccc(cn1)COc2ccc(cc2)N 34a_100000185829_100016987292 [0,2,0,0,0,0|1,0,0]=3 26229 B17R2.207 Cc1ccc(cn1)COc2ccc(cn2)Cl 34a_100011215309_100016987292 [0,2,0,0,0,0|2,0,0]=4 26230 B17R2.207 Cc1ccc(cn1)COc2ccc(cn2)F 34a_100000742473_100016987292 [0,2,0,0,0,0|2,0,0]=4 26231 B17R2.207 Cc1ccc(cn1)COc2ccc(cn2)N 34a_100000729260_100016987292 [0,2,0,0,0,0|2,0,0]=4 26232 B17R2.207 Cc1ccc(cn1)COc2ccc(nc2)Br 34a_100000685995_100016987292 [0,2,0,0,0,0|2,0,0]=4 26233 B17R2.207 Cc1ccc(cn1)COc2ccc(nc2)Br 7a_100000685995_100016987292 [0,2,0,0,0,0|2,0,0]=4 26234 B17R2.207 Cc1ccc(cn1)COc2ccc(nc2)C 34a_100000745506_100016987292 [0,2,0,0,0,0|2,0,0]=4 26235 B17R2.207 Cc1ccc(cn1)COc2ccc(nc2)C 7a_100000745506_100016987292 [0,2,0,0,0,0|2,0,0]=4 26236 B17R2.207 Cc1ccc(cn1)COc2ccc(nc2)Cl 34a_100000744096_100016987292 [0,2,0,0,0,0|2,0,0]=4 26237 B17R2.207 Cc1ccc(cn1)COc2ccc(nc2)Cl 7a_100000744096_100016987292 [0,2,0,0,0,0|2,0,0]=4 26238 B17R2.207 Cc1ccc(cn1)COc2ccc(nc2)F 34a_100000688820_100016987292 [0,2,0,0,0,0|2,0,0]=4 26239 B17R2.207 Cc1ccc(cn1)COc2ccc(nc2)F 7a_100000688820_100016987292 [0,2,0,0,0,0|2,0,0]=4 26240 B17R2.207 Cc1ccc(cn1)COc2ccc(nc2)I 34a_100000687607_100016987292 [0,2,0,0,0,0|2,0,0]=4 26241 B17R2.207 Cc1ccc(cn1)COc2ccc(nc2)I 7a_100000687607_100016987292 [0,2,0,0,0,0|2,0,0]=4 26242 B17R2.207 Cc1ccc(cn1)COc2ccc(nc2)N 34a_100015188713_100016987292 [0,2,0,0,0,0|2,0,0]=4 26243 B17R2.207 Cc1ccc(cn1)COc2ccc(nc2)N 7a_100015188713_100016987292 [0,2,0,0,0,0|2,0,0]=4 26244 B17R2.207 Cc1ccc(cn1)CSc2cc[n+](cc2)[O-] 62a_100016987292_100000039755 [0,2,0,0,0,0|2,0,0]=4 26245 B17R2.207 Cc1ccc(cn1)CSc2ccc(=O)[nH]c2 62a_100000212171_100016987292 [0,2,0,0,0,0|2,0,0]=4 26246 B17R2.207 Cc1ccc(cn1)CSc2ccc(=O)[nH]c2 62a_100016987292_100000212171 [0,2,0,0,0,0|2,0,0]=4 26247 B17R2.207 Cc1ccc(cn1)CSc2ccc(cc2)Br 62a_100000752885_100016987292 [0,2,0,0,0,0|1,0,0]=3 26248 B17R2.207 Cc1ccc(cn1)CSc2ccc(cc2)Br 62a_100016987292_100000752885 [0,2,0,0,0,0|1,0,0]=3 26249 B17R2.207 Cc1ccc(cn1)CSc2ccc(cc2)Cl 62a_100000755918_100016987292 [0,2,0,0,0,0|1,0,0]=3 26250 B17R2.207 Cc1ccc(cn1)CSc2ccc(cc2)Cl 62a_100016987292_100000755918 [0,2,0,0,0,0|1,0,0]=3 26251 B17R2.207 Cc1ccc(cn1)CSc2ccc(cc2)F 62a_100000211213_100016987292 [0,2,0,0,0,0|1,0,0]=3 26252 B17R2.207 Cc1ccc(cn1)CSc2ccc(cc2)F 62a_100016987292_100000211213 [0,2,0,0,0,0|1,0,0]=3 26253 B17R2.207 Cc1ccc(cn1)CSc2ccc(cc2)N 62a_100000185761_100016987292 [0,2,0,0,0,0|1,0,0]=3 26254 B17R2.207 Cc1ccc(cn1)CSc2ccc(cc2)N 62a_100016987292_100000185761 [0,2,0,0,0,0|1,0,0]=3 26255 B17R2.207 Cc1ccc(cn1)CSc2ccc(cc2)O 62a_100016987292_100000185759 [0,2,0,0,0,0|1,0,0]=3 26256 B17R2.207 Cc1ccc(cn1)CSc2ccc(cn2)Br 62a_100000686858_100016987292 [0,2,0,0,0,0|2,0,0]=4 26257 B17R2.207 Cc1ccc(cn1)CSc2ccc(cn2)Br 62a_100016987292_100000686858 [0,2,0,0,0,0|2,0,0]=4 26258 B17R2.207 Cc1ccc(cn1)CSc2ccc(cn2)Cl 62a_100011356976_100016987292 [0,2,0,0,0,0|2,0,0]=4 26259 B17R2.207 Cc1ccc(cn1)CSc2ccc(cn2)Cl 62a_100016987292_100011356976 [0,2,0,0,0,0|2,0,0]=4 26260 B17R2.207 Cc1ccc(cn1)CSc2ccc(cn2)F 62a_100000744514_100016987292 [0,2,0,0,0,0|2,0,0]=4 26261 B17R2.207 Cc1ccc(cn1)CSc2ccc(cn2)F 62a_100016987292_100000744514 [0,2,0,0,0,0|2,0,0]=4 26262 B17R2.207 Cc1ccc(cn1)CSc2ccc(cn2)N 62a_100000737798_100016987292 [0,2,0,0,0,0|2,0,0]=4 26263 B17R2.207 Cc1ccc(cn1)CSc2ccc(cn2)N 62a_100016987292_100000737798 [0,2,0,0,0,0|2,0,0]=4 26264 B17R2.207 Cc1ccc(cn1)CSc2ccc(cn2)O 62a_100000685995_100016987292 [0,2,0,0,0,0|2,0,0]=4 26265 B17R2.207 Cc1ccc(cn1)CSc2ccc(cn2)O 62a_100016987292_100000744096 [0,2,0,0,0,0|2,0,0]=4 26266 B17R2.207 Cc1ccc(cn1)CSc2ccc(nc2)Br 62a_100009814638_100016987292 [0,2,0,0,0,0|2,0,0]=4 26267 B17R2.207 Cc1ccc(cn1)CSc2ccc(nc2)Br 62a_100016987292_100009814638 [0,2,0,0,0,0|2,0,0]=4 26268 B17R2.207 Cc1ccc(cn1)CSc2ccc(nc2)C 62a_100000751577_100016987292 [0,2,0,0,0,0|2,0,0]=4 26269 B17R2.207 Cc1ccc(cn1)CSc2ccc(nc2)C 62a_100016987292_100000751577 [0,2,0,0,0,0|2,0,0]=4 26270 B17R2.207 Cc1ccc(cn1)CSc2ccc(nc2)Cl 62a_100000034144_100016987292 [0,2,0,0,0,0|2,0,0]=4 26271 B17R2.207 Cc1ccc(cn1)CSc2ccc(nc2)Cl 62a_100016987292_100000034144 [0,2,0,0,0,0|2,0,0]=4 26272 B17R2.207 Cc1ccc(cn1)CSc2ccc(nc2)F 62a_100000042367_100016987292 [0,2,0,0,0,0|2,0,0]=4 26273 B17R2.207 Cc1ccc(cn1)CSc2ccc(nc2)F 62a_100016987292_100000042367 [0,2,0,0,0,0|2,0,0]=4 26274 B17R2.207 Cc1ccc(cn1)CSc2ccc(nc2)N 62a_100000187370_100016987292 [0,2,0,0,0,0|2,0,0]=4 26275 B17R2.207 Cc1ccc(cn1)CSc2ccc(nc2)N 62a_100016987292_100000187370 [0,2,0,0,0,0|2,0,0]=4 26276 B17R2.207 Cc1ccc(cn1)OCc2ccc(cc2)Br 34a_100000745506_100000189115 [0,2,0,0,0,0|2,0,0]=4 26277 B17R2.207 Cc1ccc(cn1)OCc2ccc(cc2)Br 7a_100000745506_100011217064 [0,2,0,0,0,0|2,0,0]=4 26278 B17R2.207 Cc1ccc(cn1)OCc2ccc(cc2)Cl 34a_100000745506_100000694040 [0,2,0,0,0,0|2,0,0]=4 26279 B17R2.207 Cc1ccc(cn1)OCc2ccc(cc2)Cl 7a_100000745506_100000187161 [0,2,0,0,0,0|2,0,0]=4 26280 B17R2.207 Cc1ccc(cn1)OCc2ccc(cc2)F 34a_100000745506_100000198546 [0,2,0,0,0,0|2,0,0]=4 26281 B17R2.207 Cc1ccc(cn1)OCc2ccc(cc2)F 7a_100000745506_100000198546 [0,2,0,0,0,0|2,0,0]=4 26282 B17R2.207 Cc1ccc(cn1)OCc2ccc(cc2)I 34a_100000745506_100000189116 [0,2,0,0,0,0|2,0,0]=4 26283 B17R2.207 Cc1ccc(cn1)OCc2ccc(cc2)I 7a_100000745506_100000189116 [0,2,0,0,0,0|2,0,0]=4 26284 B17R2.207 Cc1ccc(cn1)OCc2ccc(nc2)Br 34a_100000745506_100009831999 [0,2,0,0,0,0|2,0,0]=4 26285 B17R2.207 Cc1ccc(cn1)OCc2ccc(nc2)Br 7a_100000745506_100009831999 [0,2,0,0,0,0|2,0,0]=4 26286 B17R2.207 Cc1ccc(cn1)OCc2ccc(nc2)Cl 34a_100000745506_100000735431 [0,2,0,0,0,0|2,0,0]=4 26287 B17R2.207 Cc1ccc(cn1)OCc2ccc(nc2)Cl 7a_100000745506_100000735431 [0,2,0,0,0,0|2,0,0]=4 26288 B17R2.207 Cc1ccc(cn1)OCc2ccc(nc2)F 34a_100000745506_100000099788 [0,2,0,0,0,0|2,0,0]=4 26289 B17R2.207 Cc1ccc(cn1)OCc2ccc(nc2)F 7a_100000745506_100009820150 [0,2,0,0,0,0|2,0,0]=4 26290 B17R2.207 Cc1ccc(cn1)SCc2ccc(cc2)Br 62a_100000189115_100000751577 [0,2,0,0,0,0|2,0,0]=4 26291 B17R2.207 Cc1ccc(cn1)SCc2ccc(cc2)Br 62a_100000751577_100000189115 [0,2,0,0,0,0|2,0,0]=4 26292 B17R2.207 Cc1ccc(cn1)SCc2ccc(cc2)Cl 62a_100000187161_100000751577 [0,2,0,0,0,0|2,0,0]=4 26293 B17R2.207 Cc1ccc(cn1)SCc2ccc(cc2)Cl 62a_100000751577_100000187161 [0,2,0,0,0,0|2,0,0]=4 26294 B17R2.207 Cc1ccc(cn1)SCc2ccc(cc2)F 62a_100000198546_100000751577 [0,2,0,0,0,0|2,0,0]=4 26295 B17R2.207 Cc1ccc(cn1)SCc2ccc(cc2)F 62a_100000751577_100000187164 [0,2,0,0,0,0|2,0,0]=4 26296 B17R2.207 Cc1ccc(cn1)SCc2ccc(cc2)I 62a_100000189116_100000751577 [0,2,0,0,0,0|2,0,0]=4 26297 B17R2.207 Cc1ccc(cn1)SCc2ccc(cc2)I 62a_100000751577_100000189116 [0,2,0,0,0,0|2,0,0]=4 26298 B17R2.207 Cc1ccc(cn1)SCc2ccc(nc2)Br 62a_100000751577_100009831999 [0,2,0,0,0,0|2,0,0]=4 26299 B17R2.207 Cc1ccc(cn1)SCc2ccc(nc2)Br 62a_100009831999_100000751577 [0,2,0,0,0,0|2,0,0]=4 26300 B17R2.207 Cc1ccc(cn1)SCc2ccc(nc2)Cl 62a_100000735431_100000751577 [0,2,0,0,0,0|2,0,0]=4 26301 B17R2.207 Cc1ccc(cn1)SCc2ccc(nc2)Cl 62a_100000751577_100000735431 [0,2,0,0,0,0|2,0,0]=4 26302 B17R2.207 Cc1ccc(cn1)SCc2ccc(nc2)F 62a_100000751577_100000099788 [0,2,0,0,0,0|2,0,0]=4 26303 B17R2.207 Cc1ccc(cn1)SCc2ccc(nc2)F 62a_100009820150_100000751577 [0,2,0,0,0,0|2,0,0]=4 26304 B17R2.207 Cc1ccc(nc1)CNc2ccc(cc2)Br 207a_100000210018_100000050478 [0,2,0,0,0,0|2,0,0]=4 26305 B17R2.207 Cc1ccc(nc1)CNc2ccc(cc2)Br 2230a_100000210018_100000691093 [0,2,0,0,0,0|2,0,0]=4 26306 B17R2.207 Cc1ccc(nc1)CNc2ccc(cc2)Br 34a_100000210018_100000691093 [0,2,0,0,0,0|2,0,0]=4 26307 B17R2.207 Cc1ccc(nc1)CNc2ccc(cc2)Cl 207a_100000210052_100000050478 [0,2,0,0,0,0|2,0,0]=4 26308 B17R2.207 Cc1ccc(nc1)CNc2ccc(cc2)Cl 2230a_100000210052_100000691093 [0,2,0,0,0,0|2,0,0]=4 26309 B17R2.207 Cc1ccc(nc1)CNc2ccc(cc2)Cl 34a_100000210052_100000691093 [0,2,0,0,0,0|2,0,0]=4 26310 B17R2.207 Cc1ccc(nc1)CNc2ccc(cc2)F 207a_100000185862_100000050478 [0,2,0,0,0,0|2,0,0]=4 26311 B17R2.207 Cc1ccc(nc1)CNc2ccc(cc2)F 34a_100000185862_100000691093 [0,2,0,0,0,0|2,0,0]=4 26312 B17R2.207 Cc1ccc(nc1)CNc2ccc(cc2)I 207a_100000185761_100000050478 [0,2,0,0,0,0|2,0,0]=4 26313 B17R2.207 Cc1ccc(nc1)CNc2ccc(cc2)I 34a_100000185761_100000691093 [0,2,0,0,0,0|2,0,0]=4 26314 B17R2.207 Cc1ccc(nc1)CNc2ccc(cc2)O 34a_100000185829_100000691093 [0,2,0,0,0,0|2,0,0]=4 26315 B17R2.207 Cc1ccc(nc1)OCc2ccc(nc2)Br 34a_100000759353_100009831999 [0,2,0,0,0,0|2,0,0]=4 26316 B17R2.207 Cc1ccc(nc1)OCc2ccc(nc2)C 34a_100000759353_100016987292 [0,2,0,0,0,0|2,0,0]=4 26317 B17R2.207 Cc1ccc(nc1)OCc2ccc(nc2)Cl 34a_100000759353_100000735431 [0,2,0,0,0,0|2,0,0]=4 26318 B17R2.207 Cc1ccc(nc1)OCc2ccc(nc2)F 34a_100000759353_100000099788 [0,2,0,0,0,0|2,0,0]=4 26319 B17R2.207 Cc1ccc(nc1)SCc2ccc(nc2)Br 62a_100009831999_100000754016 [0,2,0,0,0,0|2,0,0]=4 26320 B17R2.207 Cc1ccc(nc1)SCc2ccc(nc2)Br 62a_100011192072_100009831999 [0,2,0,0,0,0|2,0,0]=4 26321 B17R2.207 Cc1ccc(nc1)SCc2ccc(nc2)C 62a_100011192072_100016987292 [0,2,0,0,0,0|2,0,0]=4 26322 B17R2.207 Cc1ccc(nc1)SCc2ccc(nc2)C 62a_100016987292_100000754016 [0,2,0,0,0,0|2,0,0]=4 26323 B17R2.207 Cc1ccc(nc1)SCc2ccc(nc2)Cl 62a_100000735431_100000754016 [0,2,0,0,0,0|2,0,0]=4 26324 B17R2.207 Cc1ccc(nc1)SCc2ccc(nc2)Cl 62a_100011192072_100000735431 [0,2,0,0,0,0|2,0,0]=4 26325 B17R2.207 Cc1ccc(nc1)SCc2ccc(nc2)F 62a_100009820150_100000754016 [0,2,0,0,0,0|2,0,0]=4 26326 B17R2.207 Cc1ccc(nc1)SCc2ccc(nc2)F 62a_100011192072_100000099788 [0,2,0,0,0,0|2,0,0]=4 26327 B17R2.207 Cc1ccc(nn1)NCc2ccc(nc2)Br 27a_100009817727_100000744512 [0,2,0,0,0,0|2,0,0]=4 26328 B17R2.207 Cc1ccc(nn1)NCc2ccc(nc2)Cl 27a_100000735879_100000744512 [0,2,0,0,0,0|2,0,0]=4 26329 B17R2.207 Cc1ccc(nn1)NCc2ccc(nc2)F 27a_100000101913_100000744512 [0,2,0,0,0,0|2,0,0]=4 26330 B17R2.207 Cc1ccc(nn1)NCc2ccc(nc2)O 27a_100000757128_100000744512 [0,2,0,0,0,0|2,0,0]=4 26331 B17R2.207 Cc1cnc(cn1)CNc2ccc(cc2)Br 2230a_100000210018_100000752025 [0,2,0,0,0,0|1,0,0]=3 26332 B17R2.207 Cc1cnc(cn1)CNc2ccc(cc2)Cl 2230a_100000210052_100000752025 [0,2,0,0,0,0|1,0,0]=3 26333 B17R2.207 Cc1cnc(cn1)CNc2ccc(cn2)Br 27a_100132314150_100000686858 [0,2,0,0,0,0|2,0,0]=4 26334 B17R2.207 Cc1cnc(cn1)COc2ccc(cc2)Br 7a_100000185759_100000752025 [0,2,0,0,0,0|2,0,0]=4 26335 B17R2.207 Cc1cnc(cn1)COc2ccc(cc2)Cl 7a_100000210216_100000752025 [0,2,0,0,0,0|2,0,0]=4 26336 B17R2.207 Cc1cnc(cn1)COc2ccc(cc2)I 7a_100000212066_100000752025 [0,2,0,0,0,0|2,0,0]=4 26337 B17R2.207 Cc1cnc(cn1)CSc2ccc(cc2)Br 62a_100000752025_100000752885 [0,2,0,0,0,0|2,0,0]=4 26338 B17R2.207 Cc1cnc(cn1)CSc2ccc(cc2)Br 62a_100000752885_100000752025 [0,2,0,0,0,0|2,0,0]=4 26339 B17R2.207 Cc1cnc(cn1)CSc2ccc(cc2)Cl 62a_100000752025_100000755918 [0,2,0,0,0,0|2,0,0]=4 26340 B17R2.207 Cc1cnc(cn1)CSc2ccc(cc2)Cl 62a_100000755918_100000752025 [0,2,0,0,0,0|2,0,0]=4 26341 B17R2.207 Cc1cnc(cn1)CSc2ccc(cc2)F 62a_100000211213_100000752025 [0,2,0,0,0,0|2,0,0]=4 26342 B17R2.207 Cc1cnc(cn1)CSc2ccc(cc2)F 62a_100000752025_100000211213 [0,2,0,0,0,0|2,0,0]=4 26343 B17R2.207 Cc1cnc(cn1)CSc2ccc(cc2)N 62a_100000185761_100000752025 [0,2,0,0,0,0|2,0,0]=4 26344 B17R2.207 Cc1cnc(cn1)CSc2ccc(cc2)N 62a_100000752025_100000185761 [0,2,0,0,0,0|2,0,0]=4 26345 B17R2.207 Cc1cnc(cn1)CSc2ccc(cc2)O 62a_100000752025_100000185759 [0,2,0,0,0,0|2,0,0]=4 26346 B17R2.207 Cc1cnc(cn1)NCc2ccc(nc2)Br 27a_100009817727_100000074397 [0,2,0,0,0,0|2,0,0]=4 26347 B17R2.207 Cc1cnc(cn1)NCc2ccc(nc2)Cl 27a_100000735879_100000074397 [0,2,0,0,0,0|2,0,0]=4 26348 B17R2.207 Cc1cnc(cn1)NCc2ccc(nc2)F 27a_100000101913_100000074397 [0,2,0,0,0,0|2,0,0]=4 26349 B17R2.207 Cc1cnc(cn1)NCc2ccc(nc2)O 27a_100000757128_100000074397 [0,2,0,0,0,0|2,0,0]=4 26350 B17R2.207 Cc1cnc(nc1)NCc2ccc(nc2)Br 27a_100009817727_100000061069 [0,2,0,0,0,0|2,0,0]=4 26351 B17R2.207 Cc1cnc(nc1)NCc2ccc(nc2)C 27a_100000740942_100000061069 [0,2,0,0,0,0|2,0,0]=4 26352 B17R2.207 Cc1cnc(nc1)NCc2ccc(nc2)Cl 27a_100000735879_100000061069 [0,2,0,0,0,0|2,0,0]=4 26353 B17R2.207 Cc1cnc(nc1)NCc2ccc(nc2)F 27a_100000101913_100000061069 [0,2,0,0,0,0|2,0,0]=4 26354 B17R2.207 Cc1cnc(nc1)NCc2ccc(nc2)O 27a_100000757128_100000061069 [0,2,0,0,0,0|2,0,0]=4 26355 B17R2.207 Clc1ccc(cc1)C=Cc2ccc(nc2)Br 271570a_100102527930_100009814638 [0,2,0,0,0,0|1,0,1]=4 26356 B17R2.207 Clc1ccc(cc1)C=Cc2ccc(nc2)Cl 271570a_100102527930_100000034144 [0,2,0,0,0,0|1,0,1]=4 26357 B17R2.207 Clc1ccc(cc1)CNc2ccc(cc2)Br 207a_100000210018_100000189385 [0,2,0,0,0,0|1,0,0]=3 26358 B17R2.207 Clc1ccc(cc1)CNc2ccc(cc2)Br 2230a_100000210018_100000694040 [0,2,0,0,0,0|1,0,0]=3 26359 B17R2.207 Clc1ccc(cc1)CNc2ccc(cc2)Br 270302a_100000210018_100000189385 [0,2,0,0,0,0|1,0,0]=3 26360 B17R2.207 Clc1ccc(cc1)CNc2ccc(cc2)Br 34a_100000210018_100000694040 [0,2,0,0,0,0|1,0,0]=3 26361 B17R2.207 Clc1ccc(cc1)CNc2ccc(cc2)Cl 207a_100000210052_100000189385 [0,2,0,0,0,0|1,0,0]=3 26362 B17R2.207 Clc1ccc(cc1)CNc2ccc(cc2)Cl 2230a_100000210052_100000694040 [0,2,0,0,0,0|1,0,0]=3 26363 B17R2.207 Clc1ccc(cc1)CNc2ccc(cc2)Cl 270302a_100000210052_100000189385 [0,2,0,0,0,0|1,0,0]=3 26364 B17R2.207 Clc1ccc(cc1)CNc2ccc(cc2)Cl 34a_100000210052_100000694040 [0,2,0,0,0,0|1,0,0]=3 26365 B17R2.207 Clc1ccc(cc1)CNc2ccc(cc2)I 207a_100000185761_100000189385 [0,2,0,0,0,0|1,0,0]=3 26366 B17R2.207 Clc1ccc(cc1)CNc2ccc(cc2)I 270302a_100000185761_100000189385 [0,2,0,0,0,0|1,0,0]=3 26367 B17R2.207 Clc1ccc(cc1)CNc2ccc(cc2)I 34a_100000185761_100000694040 [0,2,0,0,0,0|1,0,0]=3 26368 B17R2.207 Clc1ccc(cc1)CNc2ccc(cn2)Br 27a_100000174871_100000686858 [0,2,0,0,0,0|2,0,0]=4 26369 B17R2.207 Clc1ccc(cc1)COc2ccc(cc2)Br 34a_100000185759_100000694040 [0,2,0,0,0,0|2,0,0]=4 26370 B17R2.207 Clc1ccc(cc1)COc2ccc(cc2)Br 7a_100000185759_100000187161 [0,2,0,0,0,0|2,0,0]=4 26371 B17R2.207 Clc1ccc(cc1)COc2ccc(cc2)Cl 34a_100000210216_100000694040 [0,2,0,0,0,0|2,0,0]=4 26372 B17R2.207 Clc1ccc(cc1)COc2ccc(cc2)Cl 7a_100000210216_100000187161 [0,2,0,0,0,0|2,0,0]=4 26373 B17R2.207 Clc1ccc(cc1)COc2ccc(cc2)I 34a_100000212066_100000694040 [0,2,0,0,0,0|2,0,0]=4 26374 B17R2.207 Clc1ccc(cc1)COc2ccc(cc2)I 7a_100000212066_100000187161 [0,2,0,0,0,0|2,0,0]=4 26375 B17R2.207 Clc1ccc(cc1)COc2ccc(nc2)Br 34a_100000685995_100000694040 [0,2,0,0,0,0|2,0,0]=4 26376 B17R2.207 Clc1ccc(cc1)COc2ccc(nc2)Br 7a_100000685995_100000187161 [0,2,0,0,0,0|2,0,0]=4 26377 B17R2.207 Clc1ccc(cc1)COc2ccc(nc2)Cl 34a_100000744096_100000694040 [0,2,0,0,0,0|2,0,0]=4 26378 B17R2.207 Clc1ccc(cc1)COc2ccc(nc2)Cl 7a_100000744096_100000187161 [0,2,0,0,0,0|2,0,0]=4 26379 B17R2.207 Clc1ccc(cc1)COc2ccc(nc2)I 34a_100000687607_100000694040 [0,2,0,0,0,0|2,0,0]=4 26380 B17R2.207 Clc1ccc(cc1)COc2ccc(nc2)I 7a_100000687607_100000187161 [0,2,0,0,0,0|2,0,0]=4 26381 B17R2.207 Clc1ccc(cc1)CSc2ccc(cc2)Br 62a_100000187161_100000752885 [0,2,0,0,0,0|2,0,0]=4 26382 B17R2.207 Clc1ccc(cc1)CSc2ccc(cc2)Br 62a_100000752885_100000187161 [0,2,0,0,0,0|2,0,0]=4 26383 B17R2.207 Clc1ccc(cc1)CSc2ccc(cc2)Cl 62a_100000187161_100000755918 [0,2,0,0,0,0|2,0,0]=4 26384 B17R2.207 Clc1ccc(cc1)CSc2ccc(cc2)Cl 62a_100000755918_100000187161 [0,2,0,0,0,0|2,0,0]=4 26385 B17R2.207 Clc1ccc(cc1)CSc2ccc(nc2)Br 62a_100000187161_100009814638 [0,2,0,0,0,0|2,0,0]=4 26386 B17R2.207 Clc1ccc(cc1)CSc2ccc(nc2)Br 62a_100009814638_100000187161 [0,2,0,0,0,0|2,0,0]=4 26387 B17R2.207 Clc1ccc(cc1)CSc2ccc(nc2)Cl 62a_100000034144_100000187161 [0,2,0,0,0,0|2,0,0]=4 26388 B17R2.207 Clc1ccc(cc1)CSc2ccc(nc2)Cl 62a_100000187161_100000034144 [0,2,0,0,0,0|2,0,0]=4 26389 B17R2.207 Clc1ccc(cc1)NCc2ccc(cc2)Br 207a_100000210052_100000186029 [0,2,0,0,0,0|1,0,0]=3 26390 B17R2.207 Clc1ccc(cc1)NCc2ccc(cc2)Br 2230a_100000210052_100011217064 [0,2,0,0,0,0|1,0,0]=3 26391 B17R2.207 Clc1ccc(cc1)NCc2ccc(cc2)Br 270302a_100000210052_100000186029 [0,2,0,0,0,0|1,0,0]=3 26392 B17R2.207 Clc1ccc(cc1)NCc2ccc(cc2)Br 34a_100000210052_100000189115 [0,2,0,0,0,0|1,0,0]=3 26393 B17R2.207 Clc1ccc(cc1)NCc2ccc(cc2)I 207a_100000210052_100000188517 [0,2,0,0,0,0|1,0,0]=3 26394 B17R2.207 Clc1ccc(cc1)NCc2ccc(cc2)I 2230a_100000210052_100000189116 [0,2,0,0,0,0|1,0,0]=3 26395 B17R2.207 Clc1ccc(cc1)NCc2ccc(cc2)I 270302a_100000210052_100000188517 [0,2,0,0,0,0|1,0,0]=3 26396 B17R2.207 Clc1ccc(cc1)NCc2ccc(cc2)I 34a_100000210052_100000189116 [0,2,0,0,0,0|1,0,0]=3 26397 B17R2.207 Clc1ccc(cc1)NCc2ccc(cn2)Br 207a_100000210052_100000754260 [0,2,0,0,0,0|2,0,0]=4 26398 B17R2.207 Clc1ccc(cc1)NCc2ccc(cn2)Br 2230a_100000210052_100000702658 [0,2,0,0,0,0|2,0,0]=4 26399 B17R2.207 Clc1ccc(cc1)NCc2ccc(cn2)Br 270302a_100000210052_100000754260 [0,2,0,0,0,0|2,0,0]=4 26400 B17R2.207 Clc1ccc(cc1)NCc2ccc(cn2)Br 34a_100000210052_100000702658 [0,2,0,0,0,0|2,0,0]=4 26401 B17R2.207 Clc1ccc(cc1)NCc2ccc(cn2)Cl 207a_100000210052_100011361569 [0,2,0,0,0,0|2,0,0]=4 26402 B17R2.207 Clc1ccc(cc1)NCc2ccc(cn2)Cl 2230a_100000210052_100012066911 [0,2,0,0,0,0|2,0,0]=4 26403 B17R2.207 Clc1ccc(cc1)NCc2ccc(cn2)Cl 270302a_100000210052_100011361569 [0,2,0,0,0,0|2,0,0]=4 26404 B17R2.207 Clc1ccc(cc1)NCc2ccc(cn2)Cl 34a_100000210052_100012066911 [0,2,0,0,0,0|2,0,0]=4 26405 B17R2.207 Clc1ccc(cc1)NCc2ccc(nc2)Br 2230a_100000210052_100009831999 [0,2,0,0,0,0|0,0,0]=2 26406 B17R2.207 Clc1ccc(cc1)NCc2ccc(nc2)Br 34a_100000210052_100009831999 [0,2,0,0,0,0|0,0,0]=2 26407 B17R2.207 Clc1ccc(cc1)NCc2ccc(nc2)Cl 2230a_100000210052_100000735431 [0,2,0,0,0,0|0,0,0]=2 26408 B17R2.207 Clc1ccc(cc1)NCc2ccc(nc2)Cl 270302a_100000210052_100000766901 [0,2,0,0,0,0|0,0,0]=2 26409 B17R2.207 Clc1ccc(cc1)NCc2ccc(nc2)Cl 34a_100000210052_100000735431 [0,2,0,0,0,0|0,0,0]=2 26410 B17R2.207 Clc1ccc(cc1)NCc2ccc(nn2)Cl 2230a_100000210052_100016992710 [0,2,0,0,0,0|1,0,0]=3 26411 B17R2.207 Clc1ccc(cc1)NCc2ccc(nn2)Cl 34a_100000210052_100016992710 [0,2,0,0,0,0|1,0,0]=3 26412 B17R2.207 Clc1ccc(cc1)OCc2ccc(cc2)Br 34a_100000210216_100000189115 [0,2,0,0,0,0|2,0,0]=4 26413 B17R2.207 Clc1ccc(cc1)OCc2ccc(cc2)Br 7a_100000210216_100011217064 [0,2,0,0,0,0|2,0,0]=4 26414 B17R2.207 Clc1ccc(cc1)OCc2ccc(cc2)I 34a_100000210216_100000189116 [0,2,0,0,0,0|2,0,0]=4 26415 B17R2.207 Clc1ccc(cc1)OCc2ccc(cc2)I 7a_100000210216_100000189116 [0,2,0,0,0,0|2,0,0]=4 26416 B17R2.207 Clc1ccc(cc1)OCc2ccc(nc2)Br 34a_100000210216_100009831999 [0,2,0,0,0,0|1,0,0]=3 26417 B17R2.207 Clc1ccc(cc1)OCc2ccc(nc2)Br 7a_100000210216_100009831999 [0,2,0,0,0,0|1,0,0]=3 26418 B17R2.207 Clc1ccc(cc1)OCc2ccc(nc2)Cl 34a_100000210216_100000735431 [0,2,0,0,0,0|1,0,0]=3 26419 B17R2.207 Clc1ccc(cc1)OCc2ccc(nc2)Cl 7a_100000210216_100000735431 [0,2,0,0,0,0|1,0,0]=3 26420 B17R2.207 Clc1ccc(cc1)OCc2ccc(nn2)Cl 34a_100000210216_100016992710 [0,2,0,0,0,0|2,0,0]=4 26421 B17R2.207 Clc1ccc(cc1)OCc2ccc(nn2)Cl 7a_100000210216_100016992710 [0,2,0,0,0,0|2,0,0]=4 26422 B17R2.207 Clc1ccc(cc1)SCc2ccc(cc2)Br 62a_100000189115_100000755918 [0,2,0,0,0,0|2,0,0]=4 26423 B17R2.207 Clc1ccc(cc1)SCc2ccc(cc2)Br 62a_100000755918_100000189115 [0,2,0,0,0,0|2,0,0]=4 26424 B17R2.207 Clc1ccc(cc1)SCc2ccc(cc2)I 62a_100000189116_100000755918 [0,2,0,0,0,0|2,0,0]=4 26425 B17R2.207 Clc1ccc(cc1)SCc2ccc(cc2)I 62a_100000755918_100000189116 [0,2,0,0,0,0|2,0,0]=4 26426 B17R2.207 Clc1ccc(cc1)SCc2ccc(nc2)Br 62a_100000755918_100009831999 [0,2,0,0,0,0|1,0,0]=3 26427 B17R2.207 Clc1ccc(cc1)SCc2ccc(nc2)Br 62a_100009831999_100000755918 [0,2,0,0,0,0|1,0,0]=3 26428 B17R2.207 Clc1ccc(cc1)SCc2ccc(nc2)Cl 62a_100000735431_100000755918 [0,2,0,0,0,0|1,0,0]=3 26429 B17R2.207 Clc1ccc(cc1)SCc2ccc(nc2)Cl 62a_100000755918_100000735431 [0,2,0,0,0,0|1,0,0]=3 26430 B17R2.207 Clc1ccc(cc1)SCc2ccc(nn2)Cl 62a_100000755918_100016992710 [0,2,0,0,0,0|2,0,0]=4 26431 B17R2.207 Clc1ccc(cc1)SCc2ccc(nn2)Cl 62a_100016992710_100000755918 [0,2,0,0,0,0|2,0,0]=4 26432 B17R2.207 Clc1ccc(cn1)C=Cc2ccc(cc2)Br 271570a_100102527914_100000034144 [0,2,0,0,0,0|1,0,1]=4 26433 B17R2.207 Clc1ccc(cn1)CNc2ccc(cc2)Br 2230a_100000210018_100000735431 [0,2,0,0,0,0|0,0,0]=2 26434 B17R2.207 Clc1ccc(cn1)CNc2ccc(cc2)Br 270302a_100000210018_100000766901 [0,2,0,0,0,0|0,0,0]=2 26435 B17R2.207 Clc1ccc(cn1)CNc2ccc(cc2)Br 34a_100000210018_100000735431 [0,2,0,0,0,0|0,0,0]=2 26436 B17R2.207 Clc1ccc(cn1)CNc2ccc(cc2)I 270302a_100000185761_100000766901 [0,2,0,0,0,0|0,0,0]=2 26437 B17R2.207 Clc1ccc(cn1)CNc2ccc(cc2)I 34a_100000185761_100000735431 [0,2,0,0,0,0|0,0,0]=2 26438 B17R2.207 Clc1ccc(cn1)CNc2ccc(cn2)Br 27a_100000735879_100000686858 [0,2,0,0,0,0|1,0,0]=3 26439 B17R2.207 Clc1ccc(cn1)CNc2cnc(cn2)Br 27a_100000735879_100010187541 [0,2,0,0,0,0|2,0,0]=4 26440 B17R2.207 Clc1ccc(cn1)CNc2ncc(cn2)Br 27a_100000735879_100000690281 [0,2,0,0,0,0|2,0,0]=4 26441 B17R2.207 Clc1ccc(cn1)COc2ccc(cc2)Br 34a_100000185759_100000735431 [0,2,0,0,0,0|1,0,0]=3 26442 B17R2.207 Clc1ccc(cn1)COc2ccc(cc2)Br 7a_100000185759_100000735431 [0,2,0,0,0,0|1,0,0]=3 26443 B17R2.207 Clc1ccc(cn1)COc2ccc(cc2)I 34a_100000212066_100000735431 [0,2,0,0,0,0|1,0,0]=3 26444 B17R2.207 Clc1ccc(cn1)COc2ccc(cc2)I 7a_100000212066_100000735431 [0,2,0,0,0,0|1,0,0]=3 26445 B17R2.207 Clc1ccc(cn1)COc2ccc(nc2)Br 34a_100000685995_100000735431 [0,2,0,0,0,0|2,0,0]=4 26446 B17R2.207 Clc1ccc(cn1)COc2ccc(nc2)Br 7a_100000685995_100000735431 [0,2,0,0,0,0|2,0,0]=4 26447 B17R2.207 Clc1ccc(cn1)COc2ccc(nc2)Cl 34a_100000744096_100000735431 [0,2,0,0,0,0|2,0,0]=4 26448 B17R2.207 Clc1ccc(cn1)COc2ccc(nc2)Cl 7a_100000744096_100000735431 [0,2,0,0,0,0|2,0,0]=4 26449 B17R2.207 Clc1ccc(cn1)COc2ccc(nc2)I 34a_100000687607_100000735431 [0,2,0,0,0,0|2,0,0]=4 26450 B17R2.207 Clc1ccc(cn1)COc2ccc(nc2)I 7a_100000687607_100000735431 [0,2,0,0,0,0|2,0,0]=4 26451 B17R2.207 Clc1ccc(cn1)CSc2ccc(cc2)Br 62a_100000735431_100000752885 [0,2,0,0,0,0|1,0,0]=3 26452 B17R2.207 Clc1ccc(cn1)CSc2ccc(cc2)Br 62a_100000752885_100000735431 [0,2,0,0,0,0|1,0,0]=3 26453 B17R2.207 Clc1ccc(cn1)CSc2ccc(cn2)Br 62a_100000686858_100000735431 [0,2,0,0,0,0|2,0,0]=4 26454 B17R2.207 Clc1ccc(cn1)CSc2ccc(cn2)Br 62a_100000735431_100000686858 [0,2,0,0,0,0|2,0,0]=4 26455 B17R2.207 Clc1ccc(cn1)CSc2ccc(nc2)Br 62a_100000735431_100009814638 [0,2,0,0,0,0|2,0,0]=4 26456 B17R2.207 Clc1ccc(cn1)CSc2ccc(nc2)Br 62a_100009814638_100000735431 [0,2,0,0,0,0|2,0,0]=4 26457 B17R2.207 Clc1ccc(cn1)CSc2ccc(nc2)Cl 62a_100000034144_100000735431 [0,2,0,0,0,0|2,0,0]=4 26458 B17R2.207 Clc1ccc(cn1)CSc2ccc(nc2)Cl 62a_100000735431_100000034144 [0,2,0,0,0,0|2,0,0]=4 26459 B17R2.207 Clc1ccc(cn1)OCc2ccc(cc2)Br 34a_100000744096_100000189115 [0,2,0,0,0,0|2,0,0]=4 26460 B17R2.207 Clc1ccc(cn1)OCc2ccc(cc2)Br 7a_100000744096_100011217064 [0,2,0,0,0,0|2,0,0]=4 26461 B17R2.207 Clc1ccc(cn1)OCc2ccc(cc2)I 34a_100000744096_100000189116 [0,2,0,0,0,0|2,0,0]=4 26462 B17R2.207 Clc1ccc(cn1)OCc2ccc(cc2)I 7a_100000744096_100000189116 [0,2,0,0,0,0|2,0,0]=4 26463 B17R2.207 Clc1ccc(cn1)OCc2ccc(nc2)Br 34a_100000744096_100009831999 [0,2,0,0,0,0|2,0,0]=4 26464 B17R2.207 Clc1ccc(cn1)OCc2ccc(nc2)Br 7a_100000744096_100009831999 [0,2,0,0,0,0|2,0,0]=4 26465 B17R2.207 Clc1ccc(cn1)SCc2ccc(cc2)Br 62a_100000034144_100000189115 [0,2,0,0,0,0|2,0,0]=4 26466 B17R2.207 Clc1ccc(cn1)SCc2ccc(cc2)Br 62a_100000189115_100000034144 [0,2,0,0,0,0|2,0,0]=4 26467 B17R2.207 Clc1ccc(cn1)SCc2ccc(cc2)I 62a_100000034144_100000189116 [0,2,0,0,0,0|2,0,0]=4 26468 B17R2.207 Clc1ccc(cn1)SCc2ccc(cc2)I 62a_100000189116_100000034144 [0,2,0,0,0,0|2,0,0]=4 26469 B17R2.207 Clc1ccc(cn1)SCc2ccc(nc2)Br 62a_100000034144_100009831999 [0,2,0,0,0,0|2,0,0]=4 26470 B17R2.207 Clc1ccc(cn1)SCc2ccc(nc2)Br 62a_100009831999_100000034144 [0,2,0,0,0,0|2,0,0]=4 26471 B17R2.207 Clc1ccc(nc1)CNc2ccc(cc2)Br 207a_100000210018_100011361569 [0,2,0,0,0,0|2,0,0]=4 26472 B17R2.207 Clc1ccc(nc1)CNc2ccc(cc2)Br 2230a_100000210018_100012066911 [0,2,0,0,0,0|2,0,0]=4 26473 B17R2.207 Clc1ccc(nc1)CNc2ccc(cc2)Br 270302a_100000210018_100011361569 [0,2,0,0,0,0|2,0,0]=4 26474 B17R2.207 Clc1ccc(nc1)CNc2ccc(cc2)Br 34a_100000210018_100012066911 [0,2,0,0,0,0|2,0,0]=4 26475 B17R2.207 Clc1ccc(nc1)CNc2ccc(cc2)I 207a_100000185761_100011361569 [0,2,0,0,0,0|2,0,0]=4 26476 B17R2.207 Clc1ccc(nc1)CNc2ccc(cc2)I 270302a_100000185761_100011361569 [0,2,0,0,0,0|2,0,0]=4 26477 B17R2.207 Clc1ccc(nc1)CNc2ccc(cc2)I 34a_100000185761_100012066911 [0,2,0,0,0,0|2,0,0]=4 26478 B17R2.207 Clc1ccc(nc1)OCc2ccc(nc2)Br 34a_100011215309_100009831999 [0,2,0,0,0,0|2,0,0]=4 26479 B17R2.207 Clc1ccc(nc1)OCc2ccc(nc2)Cl 34a_100011215309_100000735431 [0,2,0,0,0,0|2,0,0]=4 26480 B17R2.207 Clc1ccc(nc1)SCc2ccc(nc2)Br 62a_100009831999_100011356976 [0,2,0,0,0,0|2,0,0]=4 26481 B17R2.207 Clc1ccc(nc1)SCc2ccc(nc2)Br 62a_100011356976_100009831999 [0,2,0,0,0,0|2,0,0]=4 26482 B17R2.207 Clc1ccc(nc1)SCc2ccc(nc2)Cl 62a_100000735431_100011356976 [0,2,0,0,0,0|2,0,0]=4 26483 B17R2.207 Clc1ccc(nc1)SCc2ccc(nc2)Cl 62a_100011356976_100000735431 [0,2,0,0,0,0|2,0,0]=4 26484 B17R2.207 Clc1ccc(nn1)CNc2ccc(cc2)Br 2230a_100000210018_100016992710 [0,2,0,0,0,0|1,0,0]=3 26485 B17R2.207 Clc1ccc(nn1)CNc2ccc(cc2)Br 34a_100000210018_100016992710 [0,2,0,0,0,0|1,0,0]=3 26486 B17R2.207 Clc1ccc(nn1)CNc2ccc(cc2)I 34a_100000185761_100016992710 [0,2,0,0,0,0|1,0,0]=3 26487 B17R2.207 Clc1ccc(nn1)COc2ccc(cc2)Br 34a_100000185759_100016992710 [0,2,0,0,0,0|2,0,0]=4 26488 B17R2.207 Clc1ccc(nn1)COc2ccc(cc2)Br 7a_100000185759_100016992710 [0,2,0,0,0,0|2,0,0]=4 26489 B17R2.207 Clc1ccc(nn1)COc2ccc(cc2)I 34a_100000212066_100016992710 [0,2,0,0,0,0|2,0,0]=4 26490 B17R2.207 Clc1ccc(nn1)COc2ccc(cc2)I 7a_100000212066_100016992710 [0,2,0,0,0,0|2,0,0]=4 26491 B17R2.207 Clc1ccc(nn1)CSc2ccc(cc2)Br 62a_100000752885_100016992710 [0,2,0,0,0,0|2,0,0]=4 26492 B17R2.207 Clc1ccc(nn1)CSc2ccc(cc2)Br 62a_100016992710_100000752885 [0,2,0,0,0,0|2,0,0]=4 26493 B17R2.207 Clc1cnc(nc1)NCc2ccc(nc2)Br 27a_100009817727_100011356929 [0,2,0,0,0,0|2,0,0]=4 26494 B17R2.207 Clc1cnc(nc1)NCc2ccc(nc2)Cl 27a_100000735879_100011356929 [0,2,0,0,0,0|2,0,0]=4 26495 B17R2.207 Fc1ccc(cc1)C=Cc2ccc(nc2)Br 271570a_100102525539_100009814638 [0,2,0,0,0,0|1,0,1]=4 26496 B17R2.207 Fc1ccc(cc1)C=Cc2ccc(nc2)Cl 271570a_100102525539_100000034144 [0,2,0,0,0,0|1,0,1]=4 26497 B17R2.207 Fc1ccc(cc1)C=Cc2ccc(nc2)F 271570a_100102525539_100000748661 [0,2,0,0,0,0|1,0,1]=4 26498 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)Br 207a_100000210018_100000210084 [0,2,0,0,0,0|1,0,0]=3 26499 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)Br 2230a_100000210018_100000198546 [0,2,0,0,0,0|1,0,0]=3 26500 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)Br 270302a_100000210018_100000210084 [0,2,0,0,0,0|1,0,0]=3 26501 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)Br 34a_100000210018_100000198546 [0,2,0,0,0,0|1,0,0]=3 26502 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)Cl 207a_100000210052_100000210084 [0,2,0,0,0,0|1,0,0]=3 26503 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)Cl 2230a_100000210052_100000198546 [0,2,0,0,0,0|1,0,0]=3 26504 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)Cl 270302a_100000210052_100000210084 [0,2,0,0,0,0|1,0,0]=3 26505 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)Cl 34a_100000210052_100000198546 [0,2,0,0,0,0|1,0,0]=3 26506 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)F 207a_100000185862_100000210084 [0,2,0,0,0,0|1,0,0]=3 26507 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)F 270302a_100000185862_100000210084 [0,2,0,0,0,0|1,0,0]=3 26508 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)F 34a_100000185862_100000198546 [0,2,0,0,0,0|1,0,0]=3 26509 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)I 207a_100000185761_100000210084 [0,2,0,0,0,0|1,0,0]=3 26510 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)I 270302a_100000185761_100000210084 [0,2,0,0,0,0|1,0,0]=3 26511 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)I 34a_100000185761_100000198546 [0,2,0,0,0,0|1,0,0]=3 26512 B17R2.207 Fc1ccc(cc1)CNc2ccc(cn2)Br 27a_100000174882_100000686858 [0,2,0,0,0,0|2,0,0]=4 26513 B17R2.207 Fc1ccc(cc1)COc2ccc(cc2)Br 34a_100000185759_100000198546 [0,2,0,0,0,0|2,0,0]=4 26514 B17R2.207 Fc1ccc(cc1)COc2ccc(cc2)Br 7a_100000185759_100000198546 [0,2,0,0,0,0|2,0,0]=4 26515 B17R2.207 Fc1ccc(cc1)COc2ccc(cc2)Cl 34a_100000210216_100000198546 [0,2,0,0,0,0|2,0,0]=4 26516 B17R2.207 Fc1ccc(cc1)COc2ccc(cc2)Cl 7a_100000210216_100000198546 [0,2,0,0,0,0|2,0,0]=4 26517 B17R2.207 Fc1ccc(cc1)COc2ccc(cc2)F 34a_100000210339_100000198546 [0,2,0,0,0,0|2,0,0]=4 26518 B17R2.207 Fc1ccc(cc1)COc2ccc(cc2)I 34a_100000212066_100000198546 [0,2,0,0,0,0|2,0,0]=4 26519 B17R2.207 Fc1ccc(cc1)COc2ccc(cc2)I 7a_100000212066_100000198546 [0,2,0,0,0,0|2,0,0]=4 26520 B17R2.207 Fc1ccc(cc1)COc2ccc(nc2)Br 34a_100000685995_100000198546 [0,2,0,0,0,0|2,0,0]=4 26521 B17R2.207 Fc1ccc(cc1)COc2ccc(nc2)Br 7a_100000685995_100000198546 [0,2,0,0,0,0|2,0,0]=4 26522 B17R2.207 Fc1ccc(cc1)COc2ccc(nc2)Cl 34a_100000744096_100000198546 [0,2,0,0,0,0|2,0,0]=4 26523 B17R2.207 Fc1ccc(cc1)COc2ccc(nc2)Cl 7a_100000744096_100000198546 [0,2,0,0,0,0|2,0,0]=4 26524 B17R2.207 Fc1ccc(cc1)COc2ccc(nc2)F 34a_100000688820_100000198546 [0,2,0,0,0,0|2,0,0]=4 26525 B17R2.207 Fc1ccc(cc1)COc2ccc(nc2)F 7a_100000688820_100000198546 [0,2,0,0,0,0|2,0,0]=4 26526 B17R2.207 Fc1ccc(cc1)COc2ccc(nc2)I 34a_100000687607_100000198546 [0,2,0,0,0,0|2,0,0]=4 26527 B17R2.207 Fc1ccc(cc1)COc2ccc(nc2)I 7a_100000687607_100000198546 [0,2,0,0,0,0|2,0,0]=4 26528 B17R2.207 Fc1ccc(cc1)CSc2ccc(cc2)Br 62a_100000198546_100000752885 [0,2,0,0,0,0|2,0,0]=4 26529 B17R2.207 Fc1ccc(cc1)CSc2ccc(cc2)Br 62a_100000752885_100000187164 [0,2,0,0,0,0|2,0,0]=4 26530 B17R2.207 Fc1ccc(cc1)CSc2ccc(cc2)Cl 62a_100000198546_100000755918 [0,2,0,0,0,0|2,0,0]=4 26531 B17R2.207 Fc1ccc(cc1)CSc2ccc(cc2)Cl 62a_100000755918_100000187164 [0,2,0,0,0,0|2,0,0]=4 26532 B17R2.207 Fc1ccc(cc1)CSc2ccc(cc2)F 62a_100000198546_100000211213 [0,2,0,0,0,0|2,0,0]=4 26533 B17R2.207 Fc1ccc(cc1)CSc2ccc(cc2)F 62a_100000211213_100000187164 [0,2,0,0,0,0|2,0,0]=4 26534 B17R2.207 Fc1ccc(cc1)CSc2ccc(nc2)Br 62a_100000198546_100009814638 [0,2,0,0,0,0|2,0,0]=4 26535 B17R2.207 Fc1ccc(cc1)CSc2ccc(nc2)Br 62a_100009814638_100000187164 [0,2,0,0,0,0|2,0,0]=4 26536 B17R2.207 Fc1ccc(cc1)CSc2ccc(nc2)Cl 62a_100000034144_100000187164 [0,2,0,0,0,0|2,0,0]=4 26537 B17R2.207 Fc1ccc(cc1)CSc2ccc(nc2)Cl 62a_100000198546_100000034144 [0,2,0,0,0,0|2,0,0]=4 26538 B17R2.207 Fc1ccc(cc1)CSc2ccc(nc2)F 62a_100000042367_100000187164 [0,2,0,0,0,0|2,0,0]=4 26539 B17R2.207 Fc1ccc(cc1)CSc2ccc(nc2)F 62a_100000198546_100000042367 [0,2,0,0,0,0|2,0,0]=4 26540 B17R2.207 Fc1ccc(cc1)NCc2ccc(cc2)Br 207a_100000185862_100000186029 [0,2,0,0,0,0|1,0,0]=3 26541 B17R2.207 Fc1ccc(cc1)NCc2ccc(cc2)Br 270302a_100000185862_100000186029 [0,2,0,0,0,0|1,0,0]=3 26542 B17R2.207 Fc1ccc(cc1)NCc2ccc(cc2)Br 34a_100000185862_100000189115 [0,2,0,0,0,0|1,0,0]=3 26543 B17R2.207 Fc1ccc(cc1)NCc2ccc(cc2)Cl 207a_100000185862_100000189385 [0,2,0,0,0,0|1,0,0]=3 26544 B17R2.207 Fc1ccc(cc1)NCc2ccc(cc2)Cl 270302a_100000185862_100000189385 [0,2,0,0,0,0|1,0,0]=3 26545 B17R2.207 Fc1ccc(cc1)NCc2ccc(cc2)Cl 34a_100000185862_100000694040 [0,2,0,0,0,0|1,0,0]=3 26546 B17R2.207 Fc1ccc(cc1)NCc2ccc(cc2)I 207a_100000185862_100000188517 [0,2,0,0,0,0|1,0,0]=3 26547 B17R2.207 Fc1ccc(cc1)NCc2ccc(cc2)I 270302a_100000185862_100000188517 [0,2,0,0,0,0|1,0,0]=3 26548 B17R2.207 Fc1ccc(cc1)NCc2ccc(cc2)I 34a_100000185862_100000189116 [0,2,0,0,0,0|1,0,0]=3 26549 B17R2.207 Fc1ccc(cc1)NCc2ccc(cn2)Br 207a_100000185862_100000754260 [0,2,0,0,0,0|2,0,0]=4 26550 B17R2.207 Fc1ccc(cc1)NCc2ccc(cn2)Br 270302a_100000185862_100000754260 [0,2,0,0,0,0|2,0,0]=4 26551 B17R2.207 Fc1ccc(cc1)NCc2ccc(cn2)Br 34a_100000185862_100000702658 [0,2,0,0,0,0|2,0,0]=4 26552 B17R2.207 Fc1ccc(cc1)NCc2ccc(cn2)Cl 207a_100000185862_100011361569 [0,2,0,0,0,0|2,0,0]=4 26553 B17R2.207 Fc1ccc(cc1)NCc2ccc(cn2)Cl 270302a_100000185862_100011361569 [0,2,0,0,0,0|2,0,0]=4 26554 B17R2.207 Fc1ccc(cc1)NCc2ccc(cn2)Cl 34a_100000185862_100012066911 [0,2,0,0,0,0|2,0,0]=4 26555 B17R2.207 Fc1ccc(cc1)NCc2ccc(cn2)F 207a_100000185862_100011934744 [0,2,0,0,0,0|2,0,0]=4 26556 B17R2.207 Fc1ccc(cc1)NCc2ccc(cn2)F 34a_100000185862_100000703193 [0,2,0,0,0,0|2,0,0]=4 26557 B17R2.207 Fc1ccc(cc1)NCc2ccc(nc2)Br 34a_100000185862_100009831999 [0,2,0,0,0,0|0,0,0]=2 26558 B17R2.207 Fc1ccc(cc1)NCc2ccc(nc2)Cl 270302a_100000185862_100000766901 [0,2,0,0,0,0|0,0,0]=2 26559 B17R2.207 Fc1ccc(cc1)NCc2ccc(nc2)Cl 34a_100000185862_100000735431 [0,2,0,0,0,0|0,0,0]=2 26560 B17R2.207 Fc1ccc(cc1)NCc2ccc(nc2)F 270302a_100000185862_100000068566 [0,2,0,0,0,0|0,0,0]=2 26561 B17R2.207 Fc1ccc(cc1)NCc2ccc(nc2)F 34a_100000185862_100000099788 [0,2,0,0,0,0|0,0,0]=2 26562 B17R2.207 Fc1ccc(cc1)NCc2ccc(nn2)Cl 34a_100000185862_100016992710 [0,2,0,0,0,0|1,0,0]=3 26563 B17R2.207 Fc1ccc(cc1)OCc2ccc(cc2)Br 34a_100000210339_100000189115 [0,2,0,0,0,0|2,0,0]=4 26564 B17R2.207 Fc1ccc(cc1)OCc2ccc(cc2)Cl 34a_100000210339_100000694040 [0,2,0,0,0,0|2,0,0]=4 26565 B17R2.207 Fc1ccc(cc1)OCc2ccc(cc2)I 34a_100000210339_100000189116 [0,2,0,0,0,0|2,0,0]=4 26566 B17R2.207 Fc1ccc(cc1)OCc2ccc(nc2)Br 34a_100000210339_100009831999 [0,2,0,0,0,0|1,0,0]=3 26567 B17R2.207 Fc1ccc(cc1)OCc2ccc(nc2)Cl 34a_100000210339_100000735431 [0,2,0,0,0,0|1,0,0]=3 26568 B17R2.207 Fc1ccc(cc1)OCc2ccc(nc2)F 34a_100000210339_100000099788 [0,2,0,0,0,0|1,0,0]=3 26569 B17R2.207 Fc1ccc(cc1)OCc2ccc(nn2)Cl 34a_100000210339_100016992710 [0,2,0,0,0,0|2,0,0]=4 26570 B17R2.207 Fc1ccc(cc1)SCc2ccc(cc2)Br 62a_100000189115_100000211213 [0,2,0,0,0,0|2,0,0]=4 26571 B17R2.207 Fc1ccc(cc1)SCc2ccc(cc2)Br 62a_100000211213_100000189115 [0,2,0,0,0,0|2,0,0]=4 26572 B17R2.207 Fc1ccc(cc1)SCc2ccc(cc2)Cl 62a_100000187161_100000211213 [0,2,0,0,0,0|2,0,0]=4 26573 B17R2.207 Fc1ccc(cc1)SCc2ccc(cc2)Cl 62a_100000211213_100000187161 [0,2,0,0,0,0|2,0,0]=4 26574 B17R2.207 Fc1ccc(cc1)SCc2ccc(cc2)I 62a_100000189116_100000211213 [0,2,0,0,0,0|2,0,0]=4 26575 B17R2.207 Fc1ccc(cc1)SCc2ccc(cc2)I 62a_100000211213_100000189116 [0,2,0,0,0,0|2,0,0]=4 26576 B17R2.207 Fc1ccc(cc1)SCc2ccc(nc2)Br 62a_100000211213_100009831999 [0,2,0,0,0,0|1,0,0]=3 26577 B17R2.207 Fc1ccc(cc1)SCc2ccc(nc2)Br 62a_100009831999_100000211213 [0,2,0,0,0,0|1,0,0]=3 26578 B17R2.207 Fc1ccc(cc1)SCc2ccc(nc2)Cl 62a_100000211213_100000735431 [0,2,0,0,0,0|1,0,0]=3 26579 B17R2.207 Fc1ccc(cc1)SCc2ccc(nc2)Cl 62a_100000735431_100000211213 [0,2,0,0,0,0|1,0,0]=3 26580 B17R2.207 Fc1ccc(cc1)SCc2ccc(nc2)F 62a_100000211213_100000099788 [0,2,0,0,0,0|1,0,0]=3 26581 B17R2.207 Fc1ccc(cc1)SCc2ccc(nc2)F 62a_100009820150_100000211213 [0,2,0,0,0,0|1,0,0]=3 26582 B17R2.207 Fc1ccc(cc1)SCc2ccc(nn2)Cl 62a_100000211213_100016992710 [0,2,0,0,0,0|2,0,0]=4 26583 B17R2.207 Fc1ccc(cc1)SCc2ccc(nn2)Cl 62a_100016992710_100000211213 [0,2,0,0,0,0|2,0,0]=4 26584 B17R2.207 Fc1ccc(cn1)C=Cc2ccc(cc2)Br 271570a_100102527914_100000748661 [0,2,0,0,0,0|1,0,1]=4 26585 B17R2.207 Fc1ccc(cn1)C=Cc2ccc(cc2)Cl 271570a_100102527930_100000748661 [0,2,0,0,0,0|1,0,1]=4 26586 B17R2.207 Fc1ccc(cn1)CNc2ccc(cc2)Br 2230a_100000210018_100009820150 [0,2,0,0,0,0|0,0,0]=2 26587 B17R2.207 Fc1ccc(cn1)CNc2ccc(cc2)Br 270302a_100000210018_100000068566 [0,2,0,0,0,0|0,0,0]=2 26588 B17R2.207 Fc1ccc(cn1)CNc2ccc(cc2)Br 34a_100000210018_100000099788 [0,2,0,0,0,0|0,0,0]=2 26589 B17R2.207 Fc1ccc(cn1)CNc2ccc(cc2)Cl 2230a_100000210052_100009820150 [0,2,0,0,0,0|0,0,0]=2 26590 B17R2.207 Fc1ccc(cn1)CNc2ccc(cc2)Cl 270302a_100000210052_100000068566 [0,2,0,0,0,0|0,0,0]=2 26591 B17R2.207 Fc1ccc(cn1)CNc2ccc(cc2)Cl 34a_100000210052_100000099788 [0,2,0,0,0,0|0,0,0]=2 26592 B17R2.207 Fc1ccc(cn1)CNc2ccc(cc2)I 270302a_100000185761_100000068566 [0,2,0,0,0,0|0,0,0]=2 26593 B17R2.207 Fc1ccc(cn1)CNc2ccc(cc2)I 34a_100000185761_100000099788 [0,2,0,0,0,0|0,0,0]=2 26594 B17R2.207 Fc1ccc(cn1)CNc2ccc(cn2)Br 27a_100000101913_100000686858 [0,2,0,0,0,0|1,0,0]=3 26595 B17R2.207 Fc1ccc(cn1)CNc2cnc(cn2)Br 27a_100000101913_100010187541 [0,2,0,0,0,0|2,0,0]=4 26596 B17R2.207 Fc1ccc(cn1)CNc2cnc(cn2)F 27a_100000101913_100009856528 [0,2,0,0,0,0|2,0,0]=4 26597 B17R2.207 Fc1ccc(cn1)CNc2ncc(cn2)Br 27a_100000101913_100000690281 [0,2,0,0,0,0|2,0,0]=4 26598 B17R2.207 Fc1ccc(cn1)CNc2ncc(cn2)Cl 27a_100000101913_100011356929 [0,2,0,0,0,0|2,0,0]=4 26599 B17R2.207 Fc1ccc(cn1)COc2ccc(cc2)Br 34a_100000185759_100000099788 [0,2,0,0,0,0|1,0,0]=3 26600 B17R2.207 Fc1ccc(cn1)COc2ccc(cc2)Br 7a_100000185759_100009820150 [0,2,0,0,0,0|1,0,0]=3 26601 B17R2.207 Fc1ccc(cn1)COc2ccc(cc2)Cl 34a_100000210216_100000099788 [0,2,0,0,0,0|1,0,0]=3 26602 B17R2.207 Fc1ccc(cn1)COc2ccc(cc2)Cl 7a_100000210216_100009820150 [0,2,0,0,0,0|1,0,0]=3 26603 B17R2.207 Fc1ccc(cn1)COc2ccc(cc2)I 34a_100000212066_100000099788 [0,2,0,0,0,0|1,0,0]=3 26604 B17R2.207 Fc1ccc(cn1)COc2ccc(cc2)I 7a_100000212066_100009820150 [0,2,0,0,0,0|1,0,0]=3 26605 B17R2.207 Fc1ccc(cn1)COc2ccc(cn2)Cl 34a_100011215309_100000099788 [0,2,0,0,0,0|2,0,0]=4 26606 B17R2.207 Fc1ccc(cn1)COc2ccc(nc2)Br 34a_100000685995_100000099788 [0,2,0,0,0,0|2,0,0]=4 26607 B17R2.207 Fc1ccc(cn1)COc2ccc(nc2)Br 7a_100000685995_100009820150 [0,2,0,0,0,0|2,0,0]=4 26608 B17R2.207 Fc1ccc(cn1)COc2ccc(nc2)Cl 34a_100000744096_100000099788 [0,2,0,0,0,0|2,0,0]=4 26609 B17R2.207 Fc1ccc(cn1)COc2ccc(nc2)Cl 7a_100000744096_100009820150 [0,2,0,0,0,0|2,0,0]=4 26610 B17R2.207 Fc1ccc(cn1)COc2ccc(nc2)F 34a_100000688820_100000099788 [0,2,0,0,0,0|2,0,0]=4 26611 B17R2.207 Fc1ccc(cn1)COc2ccc(nc2)F 7a_100000688820_100009820150 [0,2,0,0,0,0|2,0,0]=4 26612 B17R2.207 Fc1ccc(cn1)COc2ccc(nc2)I 34a_100000687607_100000099788 [0,2,0,0,0,0|2,0,0]=4 26613 B17R2.207 Fc1ccc(cn1)COc2ccc(nc2)I 7a_100000687607_100009820150 [0,2,0,0,0,0|2,0,0]=4 26614 B17R2.207 Fc1ccc(cn1)CSc2ccc(cc2)Br 62a_100000752885_100000099788 [0,2,0,0,0,0|1,0,0]=3 26615 B17R2.207 Fc1ccc(cn1)CSc2ccc(cc2)Br 62a_100009820150_100000752885 [0,2,0,0,0,0|1,0,0]=3 26616 B17R2.207 Fc1ccc(cn1)CSc2ccc(cc2)Cl 62a_100000755918_100000099788 [0,2,0,0,0,0|1,0,0]=3 26617 B17R2.207 Fc1ccc(cn1)CSc2ccc(cc2)Cl 62a_100009820150_100000755918 [0,2,0,0,0,0|1,0,0]=3 26618 B17R2.207 Fc1ccc(cn1)CSc2ccc(cn2)Br 62a_100000686858_100000099788 [0,2,0,0,0,0|2,0,0]=4 26619 B17R2.207 Fc1ccc(cn1)CSc2ccc(cn2)Br 62a_100009820150_100000686858 [0,2,0,0,0,0|2,0,0]=4 26620 B17R2.207 Fc1ccc(cn1)CSc2ccc(cn2)Cl 62a_100009820150_100011356976 [0,2,0,0,0,0|2,0,0]=4 26621 B17R2.207 Fc1ccc(cn1)CSc2ccc(cn2)Cl 62a_100011356976_100000099788 [0,2,0,0,0,0|2,0,0]=4 26622 B17R2.207 Fc1ccc(cn1)CSc2ccc(nc2)Br 62a_100009814638_100000099788 [0,2,0,0,0,0|2,0,0]=4 26623 B17R2.207 Fc1ccc(cn1)CSc2ccc(nc2)Br 62a_100009820150_100009814638 [0,2,0,0,0,0|2,0,0]=4 26624 B17R2.207 Fc1ccc(cn1)CSc2ccc(nc2)Cl 62a_100000034144_100000099788 [0,2,0,0,0,0|2,0,0]=4 26625 B17R2.207 Fc1ccc(cn1)CSc2ccc(nc2)Cl 62a_100009820150_100000034144 [0,2,0,0,0,0|2,0,0]=4 26626 B17R2.207 Fc1ccc(cn1)CSc2ccc(nc2)F 62a_100000042367_100000099788 [0,2,0,0,0,0|2,0,0]=4 26627 B17R2.207 Fc1ccc(cn1)CSc2ccc(nc2)F 62a_100009820150_100000042367 [0,2,0,0,0,0|2,0,0]=4 26628 B17R2.207 Fc1ccc(cn1)OCc2ccc(cc2)Br 34a_100000688820_100000189115 [0,2,0,0,0,0|2,0,0]=4 26629 B17R2.207 Fc1ccc(cn1)OCc2ccc(cc2)Br 7a_100000688820_100011217064 [0,2,0,0,0,0|2,0,0]=4 26630 B17R2.207 Fc1ccc(cn1)OCc2ccc(cc2)Cl 34a_100000688820_100000694040 [0,2,0,0,0,0|2,0,0]=4 26631 B17R2.207 Fc1ccc(cn1)OCc2ccc(cc2)Cl 7a_100000688820_100000187161 [0,2,0,0,0,0|2,0,0]=4 26632 B17R2.207 Fc1ccc(cn1)OCc2ccc(cc2)I 34a_100000688820_100000189116 [0,2,0,0,0,0|2,0,0]=4 26633 B17R2.207 Fc1ccc(cn1)OCc2ccc(cc2)I 7a_100000688820_100000189116 [0,2,0,0,0,0|2,0,0]=4 26634 B17R2.207 Fc1ccc(cn1)OCc2ccc(nc2)Br 34a_100000688820_100009831999 [0,2,0,0,0,0|2,0,0]=4 26635 B17R2.207 Fc1ccc(cn1)OCc2ccc(nc2)Br 7a_100000688820_100009831999 [0,2,0,0,0,0|2,0,0]=4 26636 B17R2.207 Fc1ccc(cn1)OCc2ccc(nc2)Cl 34a_100000688820_100000735431 [0,2,0,0,0,0|2,0,0]=4 26637 B17R2.207 Fc1ccc(cn1)OCc2ccc(nc2)Cl 7a_100000688820_100000735431 [0,2,0,0,0,0|2,0,0]=4 26638 B17R2.207 Fc1ccc(cn1)SCc2ccc(cc2)Br 62a_100000042367_100000189115 [0,2,0,0,0,0|2,0,0]=4 26639 B17R2.207 Fc1ccc(cn1)SCc2ccc(cc2)Br 62a_100000189115_100000042367 [0,2,0,0,0,0|2,0,0]=4 26640 B17R2.207 Fc1ccc(cn1)SCc2ccc(cc2)Cl 62a_100000042367_100000187161 [0,2,0,0,0,0|2,0,0]=4 26641 B17R2.207 Fc1ccc(cn1)SCc2ccc(cc2)Cl 62a_100000187161_100000042367 [0,2,0,0,0,0|2,0,0]=4 26642 B17R2.207 Fc1ccc(cn1)SCc2ccc(cc2)I 62a_100000042367_100000189116 [0,2,0,0,0,0|2,0,0]=4 26643 B17R2.207 Fc1ccc(cn1)SCc2ccc(cc2)I 62a_100000189116_100000042367 [0,2,0,0,0,0|2,0,0]=4 26644 B17R2.207 Fc1ccc(cn1)SCc2ccc(nc2)Br 62a_100000042367_100009831999 [0,2,0,0,0,0|2,0,0]=4 26645 B17R2.207 Fc1ccc(cn1)SCc2ccc(nc2)Br 62a_100009831999_100000042367 [0,2,0,0,0,0|2,0,0]=4 26646 B17R2.207 Fc1ccc(cn1)SCc2ccc(nc2)Cl 62a_100000042367_100000735431 [0,2,0,0,0,0|2,0,0]=4 26647 B17R2.207 Fc1ccc(cn1)SCc2ccc(nc2)Cl 62a_100000735431_100000042367 [0,2,0,0,0,0|2,0,0]=4 26648 B17R2.207 Fc1ccc(nc1)CNc2ccc(cc2)Br 207a_100000210018_100011934744 [0,2,0,0,0,0|2,0,0]=4 26649 B17R2.207 Fc1ccc(nc1)CNc2ccc(cc2)Br 2230a_100000210018_100000703193 [0,2,0,0,0,0|2,0,0]=4 26650 B17R2.207 Fc1ccc(nc1)CNc2ccc(cc2)Br 34a_100000210018_100000703193 [0,2,0,0,0,0|2,0,0]=4 26651 B17R2.207 Fc1ccc(nc1)CNc2ccc(cc2)Cl 207a_100000210052_100011934744 [0,2,0,0,0,0|2,0,0]=4 26652 B17R2.207 Fc1ccc(nc1)CNc2ccc(cc2)Cl 2230a_100000210052_100000703193 [0,2,0,0,0,0|2,0,0]=4 26653 B17R2.207 Fc1ccc(nc1)CNc2ccc(cc2)Cl 34a_100000210052_100000703193 [0,2,0,0,0,0|2,0,0]=4 26654 B17R2.207 Fc1ccc(nc1)CNc2ccc(cc2)I 207a_100000185761_100011934744 [0,2,0,0,0,0|2,0,0]=4 26655 B17R2.207 Fc1ccc(nc1)CNc2ccc(cc2)I 34a_100000185761_100000703193 [0,2,0,0,0,0|2,0,0]=4 26656 B17R2.207 Fc1ccc(nc1)OCc2ccc(nc2)Br 34a_100000742473_100009831999 [0,2,0,0,0,0|2,0,0]=4 26657 B17R2.207 Fc1ccc(nc1)OCc2ccc(nc2)Cl 34a_100000742473_100000735431 [0,2,0,0,0,0|2,0,0]=4 26658 B17R2.207 Fc1ccc(nc1)OCc2ccc(nc2)F 34a_100000742473_100000099788 [0,2,0,0,0,0|2,0,0]=4 26659 B17R2.207 Fc1ccc(nc1)SCc2ccc(nc2)Br 62a_100000744514_100009831999 [0,2,0,0,0,0|2,0,0]=4 26660 B17R2.207 Fc1ccc(nc1)SCc2ccc(nc2)Br 62a_100009831999_100000744514 [0,2,0,0,0,0|2,0,0]=4 26661 B17R2.207 Fc1ccc(nc1)SCc2ccc(nc2)Cl 62a_100000735431_100000744514 [0,2,0,0,0,0|2,0,0]=4 26662 B17R2.207 Fc1ccc(nc1)SCc2ccc(nc2)Cl 62a_100000744514_100000735431 [0,2,0,0,0,0|2,0,0]=4 26663 B17R2.207 Fc1ccc(nc1)SCc2ccc(nc2)F 62a_100000744514_100000099788 [0,2,0,0,0,0|2,0,0]=4 26664 B17R2.207 Fc1ccc(nc1)SCc2ccc(nc2)F 62a_100009820150_100000744514 [0,2,0,0,0,0|2,0,0]=4 26665 B17R2.207 Fc1cnc(cn1)NCc2ccc(nc2)Br 27a_100009817727_100009856528 [0,2,0,0,0,0|2,0,0]=4 26666 B17R2.207 Fc1cnc(cn1)NCc2ccc(nc2)Cl 27a_100000735879_100009856528 [0,2,0,0,0,0|2,0,0]=4 26667 B17R2.207 Fc1cnc(nc1)NCc2ccc(nc2)Br 27a_100009817727_100000685220 [0,2,0,0,0,0|2,0,0]=4 26668 B17R2.207 Fc1cnc(nc1)NCc2ccc(nc2)Cl 27a_100000735879_100000685220 [0,2,0,0,0,0|2,0,0]=4 26669 B17R2.207 Fc1cnc(nc1)NCc2ccc(nc2)F 27a_100000101913_100000685220 [0,2,0,0,0,0|2,0,0]=4 26670 B17R2.207 Ic1ccc(cc1)CNc2ccc(cc2)I 207a_100000185761_100000188517 [0,2,0,0,0,0|1,0,0]=3 26671 B17R2.207 Ic1ccc(cc1)CNc2ccc(cc2)I 270302a_100000185761_100000188517 [0,2,0,0,0,0|1,0,0]=3 26672 B17R2.207 Ic1ccc(cc1)CNc2ccc(cc2)I 34a_100000185761_100000189116 [0,2,0,0,0,0|1,0,0]=3 26673 B17R2.207 Ic1ccc(cc1)COc2ccc(cc2)I 34a_100000212066_100000189116 [0,2,0,0,0,0|2,0,0]=4 26674 B17R2.207 Ic1ccc(cc1)COc2ccc(cc2)I 7a_100000212066_100000189116 [0,2,0,0,0,0|2,0,0]=4 26675 B17R2.207 Ic1ccc(cc1)COc2ccc(nc2)I 34a_100000687607_100000189116 [0,2,0,0,0,0|2,0,0]=4 26676 B17R2.207 Ic1ccc(cc1)COc2ccc(nc2)I 7a_100000687607_100000189116 [0,2,0,0,0,0|2,0,0]=4 26677 B17R2.207 Nc1ccc(cc1)COc2ccc(cc2)O 271570a_203496583355_100000274467 [0,2,0,0,0,0|2,0,0]=4 26678 B17R2.207 Nc1ccc(cc1)OCc2ccc(cc2)Br 34a_100000185829_100000189115 [0,2,0,0,0,0|2,0,0]=4 26679 B17R2.207 Nc1ccc(cc1)OCc2ccc(cc2)Cl 34a_100000185829_100000694040 [0,2,0,0,0,0|2,0,0]=4 26680 B17R2.207 Nc1ccc(cc1)OCc2ccc(cc2)F 34a_100000185829_100000198546 [0,2,0,0,0,0|2,0,0]=4 26681 B17R2.207 Nc1ccc(cc1)OCc2ccc(cc2)I 34a_100000185829_100000189116 [0,2,0,0,0,0|2,0,0]=4 26682 B17R2.207 Nc1ccc(cc1)OCc2ccc(nc2)Br 34a_100000185829_100009831999 [0,2,0,0,0,0|1,0,0]=3 26683 B17R2.207 Nc1ccc(cc1)OCc2ccc(nc2)Cl 34a_100000185829_100000735431 [0,2,0,0,0,0|1,0,0]=3 26684 B17R2.207 Nc1ccc(cc1)OCc2ccc(nc2)F 34a_100000185829_100000099788 [0,2,0,0,0,0|1,0,0]=3 26685 B17R2.207 Nc1ccc(cc1)OCc2ccc(nn2)Cl 34a_100000185829_100016992710 [0,2,0,0,0,0|2,0,0]=4 26686 B17R2.207 Nc1ccc(cc1)SCc2ccc(cc2)Br 62a_100000185761_100000189115 [0,2,0,0,0,0|2,0,0]=4 26687 B17R2.207 Nc1ccc(cc1)SCc2ccc(cc2)Br 62a_100000189115_100000185761 [0,2,0,0,0,0|2,0,0]=4 26688 B17R2.207 Nc1ccc(cc1)SCc2ccc(cc2)Cl 62a_100000185761_100000187161 [0,2,0,0,0,0|2,0,0]=4 26689 B17R2.207 Nc1ccc(cc1)SCc2ccc(cc2)Cl 62a_100000187161_100000185761 [0,2,0,0,0,0|2,0,0]=4 26690 B17R2.207 Nc1ccc(cc1)SCc2ccc(cc2)F 62a_100000185761_100000187164 [0,2,0,0,0,0|2,0,0]=4 26691 B17R2.207 Nc1ccc(cc1)SCc2ccc(cc2)F 62a_100000198546_100000185761 [0,2,0,0,0,0|2,0,0]=4 26692 B17R2.207 Nc1ccc(cc1)SCc2ccc(cc2)I 62a_100000185761_100000189116 [0,2,0,0,0,0|2,0,0]=4 26693 B17R2.207 Nc1ccc(cc1)SCc2ccc(cc2)I 62a_100000189116_100000185761 [0,2,0,0,0,0|2,0,0]=4 26694 B17R2.207 Nc1ccc(cc1)SCc2ccc(nc2)Br 62a_100000185761_100009831999 [0,2,0,0,0,0|1,0,0]=3 26695 B17R2.207 Nc1ccc(cc1)SCc2ccc(nc2)Br 62a_100009831999_100000185761 [0,2,0,0,0,0|1,0,0]=3 26696 B17R2.207 Nc1ccc(cc1)SCc2ccc(nc2)Cl 62a_100000185761_100000735431 [0,2,0,0,0,0|1,0,0]=3 26697 B17R2.207 Nc1ccc(cc1)SCc2ccc(nc2)Cl 62a_100000735431_100000185761 [0,2,0,0,0,0|1,0,0]=3 26698 B17R2.207 Nc1ccc(cc1)SCc2ccc(nc2)F 62a_100000185761_100000099788 [0,2,0,0,0,0|1,0,0]=3 26699 B17R2.207 Nc1ccc(cc1)SCc2ccc(nc2)F 62a_100009820150_100000185761 [0,2,0,0,0,0|1,0,0]=3 26700 B17R2.207 Nc1ccc(cc1)SCc2ccc(nn2)Cl 62a_100000185761_100016992710 [0,2,0,0,0,0|2,0,0]=4 26701 B17R2.207 Nc1ccc(cc1)SCc2ccc(nn2)Cl 62a_100016992710_100000185761 [0,2,0,0,0,0|2,0,0]=4 26702 B17R2.207 Nc1ccc(cn1)C=Cc2ccc(cc2)Br 271570a_100102527914_100000187370 [0,2,0,0,0,0|1,0,1]=4 26703 B17R2.207 Nc1ccc(cn1)C=Cc2ccc(cc2)Cl 271570a_100102527930_100000187370 [0,2,0,0,0,0|1,0,1]=4 26704 B17R2.207 Nc1ccc(cn1)C=Cc2ccc(cc2)F 271570a_100102525539_100000187370 [0,2,0,0,0,0|1,0,1]=4 26705 B17R2.207 Nc1ccc(cn1)OCc2ccc(cc2)Br 34a_100015188713_100000189115 [0,2,0,0,0,0|2,0,0]=4 26706 B17R2.207 Nc1ccc(cn1)OCc2ccc(cc2)Br 7a_100015188713_100011217064 [0,2,0,0,0,0|2,0,0]=4 26707 B17R2.207 Nc1ccc(cn1)OCc2ccc(cc2)Cl 34a_100015188713_100000694040 [0,2,0,0,0,0|2,0,0]=4 26708 B17R2.207 Nc1ccc(cn1)OCc2ccc(cc2)Cl 7a_100015188713_100000187161 [0,2,0,0,0,0|2,0,0]=4 26709 B17R2.207 Nc1ccc(cn1)OCc2ccc(cc2)F 34a_100015188713_100000198546 [0,2,0,0,0,0|2,0,0]=4 26710 B17R2.207 Nc1ccc(cn1)OCc2ccc(cc2)F 7a_100015188713_100000198546 [0,2,0,0,0,0|2,0,0]=4 26711 B17R2.207 Nc1ccc(cn1)OCc2ccc(cc2)I 34a_100015188713_100000189116 [0,2,0,0,0,0|2,0,0]=4 26712 B17R2.207 Nc1ccc(cn1)OCc2ccc(cc2)I 7a_100015188713_100000189116 [0,2,0,0,0,0|2,0,0]=4 26713 B17R2.207 Nc1ccc(cn1)OCc2ccc(nc2)Br 34a_100015188713_100009831999 [0,2,0,0,0,0|2,0,0]=4 26714 B17R2.207 Nc1ccc(cn1)OCc2ccc(nc2)Br 7a_100015188713_100009831999 [0,2,0,0,0,0|2,0,0]=4 26715 B17R2.207 Nc1ccc(cn1)OCc2ccc(nc2)Cl 34a_100015188713_100000735431 [0,2,0,0,0,0|2,0,0]=4 26716 B17R2.207 Nc1ccc(cn1)OCc2ccc(nc2)Cl 7a_100015188713_100000735431 [0,2,0,0,0,0|2,0,0]=4 26717 B17R2.207 Nc1ccc(cn1)OCc2ccc(nc2)F 34a_100015188713_100000099788 [0,2,0,0,0,0|2,0,0]=4 26718 B17R2.207 Nc1ccc(cn1)OCc2ccc(nc2)F 7a_100015188713_100009820150 [0,2,0,0,0,0|2,0,0]=4 26719 B17R2.207 Nc1ccc(cn1)SCc2ccc(cc2)Br 62a_100000187370_100000189115 [0,2,0,0,0,0|2,0,0]=4 26720 B17R2.207 Nc1ccc(cn1)SCc2ccc(cc2)Br 62a_100000189115_100000187370 [0,2,0,0,0,0|2,0,0]=4 26721 B17R2.207 Nc1ccc(cn1)SCc2ccc(cc2)Cl 62a_100000187161_100000187370 [0,2,0,0,0,0|2,0,0]=4 26722 B17R2.207 Nc1ccc(cn1)SCc2ccc(cc2)Cl 62a_100000187370_100000187161 [0,2,0,0,0,0|2,0,0]=4 26723 B17R2.207 Nc1ccc(cn1)SCc2ccc(cc2)F 62a_100000187370_100000187164 [0,2,0,0,0,0|2,0,0]=4 26724 B17R2.207 Nc1ccc(cn1)SCc2ccc(cc2)F 62a_100000198546_100000187370 [0,2,0,0,0,0|2,0,0]=4 26725 B17R2.207 Nc1ccc(cn1)SCc2ccc(cc2)I 62a_100000187370_100000189116 [0,2,0,0,0,0|2,0,0]=4 26726 B17R2.207 Nc1ccc(cn1)SCc2ccc(cc2)I 62a_100000189116_100000187370 [0,2,0,0,0,0|2,0,0]=4 26727 B17R2.207 Nc1ccc(cn1)SCc2ccc(nc2)Br 62a_100000187370_100009831999 [0,2,0,0,0,0|2,0,0]=4 26728 B17R2.207 Nc1ccc(cn1)SCc2ccc(nc2)Br 62a_100009831999_100000187370 [0,2,0,0,0,0|2,0,0]=4 26729 B17R2.207 Nc1ccc(cn1)SCc2ccc(nc2)Cl 62a_100000187370_100000735431 [0,2,0,0,0,0|2,0,0]=4 26730 B17R2.207 Nc1ccc(cn1)SCc2ccc(nc2)Cl 62a_100000735431_100000187370 [0,2,0,0,0,0|2,0,0]=4 26731 B17R2.207 Nc1ccc(cn1)SCc2ccc(nc2)F 62a_100000187370_100000099788 [0,2,0,0,0,0|2,0,0]=4 26732 B17R2.207 Nc1ccc(cn1)SCc2ccc(nc2)F 62a_100009820150_100000187370 [0,2,0,0,0,0|2,0,0]=4 26733 B17R2.207 Nc1ccc(nc1)OCc2ccc(nc2)Br 34a_100000729260_100009831999 [0,2,0,0,0,0|2,0,0]=4 26734 B17R2.207 Nc1ccc(nc1)OCc2ccc(nc2)Cl 34a_100000729260_100000735431 [0,2,0,0,0,0|2,0,0]=4 26735 B17R2.207 Nc1ccc(nc1)OCc2ccc(nc2)F 34a_100000729260_100000099788 [0,2,0,0,0,0|2,0,0]=4 26736 B17R2.207 Nc1ccc(nc1)SCc2ccc(nc2)Br 62a_100000737798_100009831999 [0,2,0,0,0,0|2,0,0]=4 26737 B17R2.207 Nc1ccc(nc1)SCc2ccc(nc2)Br 62a_100009831999_100000737798 [0,2,0,0,0,0|2,0,0]=4 26738 B17R2.207 Nc1ccc(nc1)SCc2ccc(nc2)Cl 62a_100000735431_100000737798 [0,2,0,0,0,0|2,0,0]=4 26739 B17R2.207 Nc1ccc(nc1)SCc2ccc(nc2)Cl 62a_100000737798_100000735431 [0,2,0,0,0,0|2,0,0]=4 26740 B17R2.207 Nc1ccc(nc1)SCc2ccc(nc2)F 62a_100000737798_100000099788 [0,2,0,0,0,0|2,0,0]=4 26741 B17R2.207 Nc1ccc(nc1)SCc2ccc(nc2)F 62a_100009820150_100000737798 [0,2,0,0,0,0|2,0,0]=4 26742 B17R2.207 O=c1ccc(c[nH]1)OCc2ccc(nc2)Br 34a_100000075641_100009831999 [0,2,0,0,0,0|2,0,0]=4 26743 B17R2.207 O=c1ccc(c[nH]1)OCc2ccc(nc2)Cl 34a_100000075641_100000735431 [0,2,0,0,0,0|2,0,0]=4 26744 B17R2.207 O=c1ccc(c[nH]1)OCc2ccc(nc2)F 34a_100000075641_100000099788 [0,2,0,0,0,0|2,0,0]=4 26745 B17R2.207 O=c1ccc(c[nH]1)SCc2ccc(nc2)Br 62a_100000212171_100009831999 [0,2,0,0,0,0|2,0,0]=4 26746 B17R2.207 O=c1ccc(c[nH]1)SCc2ccc(nc2)Br 62a_100009831999_100000212171 [0,2,0,0,0,0|2,0,0]=4 26747 B17R2.207 O=c1ccc(c[nH]1)SCc2ccc(nc2)Cl 62a_100000212171_100000735431 [0,2,0,0,0,0|2,0,0]=4 26748 B17R2.207 O=c1ccc(c[nH]1)SCc2ccc(nc2)Cl 62a_100000735431_100000212171 [0,2,0,0,0,0|2,0,0]=4 26749 B17R2.207 O=c1ccc(c[nH]1)SCc2ccc(nc2)F 62a_100000212171_100000099788 [0,2,0,0,0,0|2,0,0]=4 26750 B17R2.207 O=c1ccc(c[nH]1)SCc2ccc(nc2)F 62a_100009820150_100000212171 [0,2,0,0,0,0|2,0,0]=4 26751 B17R2.207 O=c1ccc(n[nH]1)CNc2ccc(cc2)Br 207a_100000210018_100011361533 [0,2,0,0,0,0|1,0,1]=4 26752 B17R2.207 O=c1ccc(n[nH]1)CNc2ccc(cc2)Cl 207a_100000210052_100011361533 [0,2,0,0,0,0|1,0,1]=4 26753 B17R2.207 O=c1ccc(n[nH]1)CNc2ccc(cc2)F 207a_100000185862_100011361533 [0,2,0,0,0,0|1,0,1]=4 26754 B17R2.207 O=c1ccc(n[nH]1)CNc2ccc(cc2)I 207a_100000185761_100011361533 [0,2,0,0,0,0|1,0,1]=4 26755 B17R2.207 Oc1ccc(cc1)CNc2ccc(cn2)Br 27a_100000185549_100000686858 [0,2,0,0,0,0|2,0,0]=4 26756 B17R2.207 Oc1ccc(cc1)NCc2ccc(cc2)Br 270302a_100000185829_100000186029 [0,2,0,0,0,0|1,0,0]=3 26757 B17R2.207 Oc1ccc(cc1)NCc2ccc(cc2)Br 34a_100000185829_100000189115 [0,2,0,0,0,0|1,0,0]=3 26758 B17R2.207 Oc1ccc(cc1)NCc2ccc(cc2)Cl 270302a_100000185829_100000189385 [0,2,0,0,0,0|1,0,0]=3 26759 B17R2.207 Oc1ccc(cc1)NCc2ccc(cc2)Cl 34a_100000185829_100000694040 [0,2,0,0,0,0|1,0,0]=3 26760 B17R2.207 Oc1ccc(cc1)NCc2ccc(cc2)F 270302a_100000185829_100000210084 [0,2,0,0,0,0|1,0,0]=3 26761 B17R2.207 Oc1ccc(cc1)NCc2ccc(cc2)F 34a_100000185829_100000198546 [0,2,0,0,0,0|1,0,0]=3 26762 B17R2.207 Oc1ccc(cc1)NCc2ccc(cc2)I 270302a_100000185829_100000188517 [0,2,0,0,0,0|1,0,0]=3 26763 B17R2.207 Oc1ccc(cc1)NCc2ccc(cc2)I 34a_100000185829_100000189116 [0,2,0,0,0,0|1,0,0]=3 26764 B17R2.207 Oc1ccc(cc1)NCc2ccc(cn2)Br 270302a_100000185829_100000754260 [0,2,0,0,0,0|2,0,0]=4 26765 B17R2.207 Oc1ccc(cc1)NCc2ccc(cn2)Br 34a_100000185829_100000702658 [0,2,0,0,0,0|2,0,0]=4 26766 B17R2.207 Oc1ccc(cc1)NCc2ccc(cn2)Cl 270302a_100000185829_100011361569 [0,2,0,0,0,0|2,0,0]=4 26767 B17R2.207 Oc1ccc(cc1)NCc2ccc(cn2)Cl 34a_100000185829_100012066911 [0,2,0,0,0,0|2,0,0]=4 26768 B17R2.207 Oc1ccc(cc1)NCc2ccc(cn2)F 34a_100000185829_100000703193 [0,2,0,0,0,0|2,0,0]=4 26769 B17R2.207 Oc1ccc(cc1)NCc2ccc(nc2)Br 34a_100000185829_100009831999 [0,2,0,0,0,0|0,0,0]=2 26770 B17R2.207 Oc1ccc(cc1)NCc2ccc(nc2)Cl 270302a_100000185829_100000766901 [0,2,0,0,0,0|0,0,0]=2 26771 B17R2.207 Oc1ccc(cc1)NCc2ccc(nc2)Cl 34a_100000185829_100000735431 [0,2,0,0,0,0|0,0,0]=2 26772 B17R2.207 Oc1ccc(cc1)NCc2ccc(nc2)F 270302a_100000185829_100000068566 [0,2,0,0,0,0|0,0,0]=2 26773 B17R2.207 Oc1ccc(cc1)NCc2ccc(nc2)F 34a_100000185829_100000099788 [0,2,0,0,0,0|0,0,0]=2 26774 B17R2.207 Oc1ccc(cc1)NCc2ccc(nc2)O 270302a_100000185829_100011361521 [0,2,0,0,0,0|0,0,0]=2 26775 B17R2.207 Oc1ccc(cc1)NCc2ccc(nn2)Cl 34a_100000185829_100016992710 [0,2,0,0,0,0|1,0,0]=3 26776 B17R2.207 Oc1ccc(cc1)SCc2ccc(cc2)Br 62a_100000189115_100000185759 [0,2,0,0,0,0|2,0,0]=4 26777 B17R2.207 Oc1ccc(cc1)SCc2ccc(cc2)Cl 62a_100000187161_100000185759 [0,2,0,0,0,0|2,0,0]=4 26778 B17R2.207 Oc1ccc(cc1)SCc2ccc(cc2)F 62a_100000198546_100000185759 [0,2,0,0,0,0|2,0,0]=4 26779 B17R2.207 Oc1ccc(cc1)SCc2ccc(cc2)I 62a_100000189116_100000185759 [0,2,0,0,0,0|2,0,0]=4 26780 B17R2.207 Oc1ccc(cc1)SCc2ccc(nc2)Br 62a_100009831999_100000185759 [0,2,0,0,0,0|1,0,0]=3 26781 B17R2.207 Oc1ccc(cc1)SCc2ccc(nc2)Cl 62a_100000735431_100000185759 [0,2,0,0,0,0|1,0,0]=3 26782 B17R2.207 Oc1ccc(cc1)SCc2ccc(nc2)F 62a_100009820150_100000185759 [0,2,0,0,0,0|1,0,0]=3 26783 B17R2.207 Oc1ccc(cc1)SCc2ccc(nn2)Cl 62a_100016992710_100000185759 [0,2,0,0,0,0|2,0,0]=4 26784 B17R2.207 Oc1ccc(cn1)CNc2ccc(cc2)Br 207a_100000210018_100011361521 [0,2,0,0,0,0|0,0,0]=2 26785 B17R2.207 Oc1ccc(cn1)CNc2ccc(cc2)Br 270302a_100000210018_100011361521 [0,2,0,0,0,0|0,0,0]=2 26786 B17R2.207 Oc1ccc(cn1)CNc2ccc(cc2)Cl 207a_100000210052_100011361521 [0,2,0,0,0,0|0,0,0]=2 26787 B17R2.207 Oc1ccc(cn1)CNc2ccc(cc2)Cl 270302a_100000210052_100011361521 [0,2,0,0,0,0|0,0,0]=2 26788 B17R2.207 Oc1ccc(cn1)CNc2ccc(cc2)F 207a_100000185862_100011361521 [0,2,0,0,0,0|0,0,0]=2 26789 B17R2.207 Oc1ccc(cn1)CNc2ccc(cc2)F 270302a_100000185862_100011361521 [0,2,0,0,0,0|0,0,0]=2 26790 B17R2.207 Oc1ccc(cn1)CNc2ccc(cc2)I 207a_100000185761_100011361521 [0,2,0,0,0,0|0,0,0]=2 26791 B17R2.207 Oc1ccc(cn1)CNc2ccc(cc2)I 270302a_100000185761_100011361521 [0,2,0,0,0,0|0,0,0]=2 26792 B17R2.207 Oc1ccc(cn1)CNc2ccc(cn2)Br 27a_100000757128_100000686858 [0,2,0,0,0,0|1,0,0]=3 26793 B17R2.207 Oc1ccc(cn1)CNc2cnc(cn2)Br 27a_100000757128_100010187541 [0,2,0,0,0,0|2,0,0]=4 26794 B17R2.207 Oc1ccc(cn1)CNc2cnc(cn2)F 27a_100000757128_100009856528 [0,2,0,0,0,0|2,0,0]=4 26795 B17R2.207 Oc1ccc(cn1)CNc2ncc(cn2)Br 27a_100000757128_100000690281 [0,2,0,0,0,0|2,0,0]=4 26796 B17R2.207 Oc1ccc(cn1)CNc2ncc(cn2)Cl 27a_100000757128_100011356929 [0,2,0,0,0,0|2,0,0]=4 26797 B17R2.207 Oc1ccc(cn1)CNc2ncc(cn2)F 27a_100000757128_100000685220 [0,2,0,0,0,0|2,0,0]=4 26798 B17R2.207 Oc1ccc(nc1)SCc2ccc(nc2)Br 62a_100000685995_100009831999 [0,2,0,0,0,0|2,0,0]=4 26799 B17R2.207 Oc1ccc(nc1)SCc2ccc(nc2)Br 62a_100009831999_100000744096 [0,2,0,0,0,0|2,0,0]=4 26800 B17R2.207 Oc1ccc(nc1)SCc2ccc(nc2)Cl 62a_100000685995_100000735431 [0,2,0,0,0,0|2,0,0]=4 26801 B17R2.207 Oc1ccc(nc1)SCc2ccc(nc2)Cl 62a_100000735431_100000744096 [0,2,0,0,0,0|2,0,0]=4 26802 B17R2.207 Oc1ccc(nc1)SCc2ccc(nc2)F 62a_100000685995_100000099788 [0,2,0,0,0,0|2,0,0]=4 26803 B17R2.207 Oc1ccc(nc1)SCc2ccc(nc2)F 62a_100009820150_100000744096 [0,2,0,0,0,0|2,0,0]=4 26804 B17R2.207 [O-][n+]1ccc(cc1)SCc2ccc(nc2)Br 62a_100009831999_100000039755 [0,2,0,0,0,0|2,0,0]=4 26805 B17R2.207 [O-][n+]1ccc(cc1)SCc2ccc(nc2)Cl 62a_100000735431_100000039755 [0,2,0,0,0,0|2,0,0]=4 26806 B17R2.207 [O-][n+]1ccc(cc1)SCc2ccc(nc2)F 62a_100009820150_100000039755 [0,2,0,0,0,0|2,0,0]=4 26807 B17R2.215 Brc1cc(ccn1)CNc2ccc(cc2)I 34a_100000185761_100010243470 [0,2,0,0,0,0|2,0,0]=4 26808 B17R2.215 Brc1ccc(cc1)C=Cc2cncc(c2)Br 271570a_100102527914_100000728054 [0,2,0,0,0,0|1,0,1]=4 26809 B17R2.215 Brc1ccc(cc1)CNc2cccc(c2)Br 207a_100000210019_100000186029 [0,2,0,0,0,0|1,0,0]=3 26810 B17R2.215 Brc1ccc(cc1)CNc2cccc(c2)Br 270302a_100000210019_100000186029 [0,2,0,0,0,0|1,0,0]=3 26811 B17R2.215 Brc1ccc(cc1)CNc2cccc(c2)Br 34a_100000210019_100000189115 [0,2,0,0,0,0|1,0,0]=3 26812 B17R2.215 Brc1ccc(cc1)CNc2cccc(c2)I 207a_100000211102_100000186029 [0,2,0,0,0,0|1,0,0]=3 26813 B17R2.215 Brc1ccc(cc1)CNc2cccc(c2)I 270302a_100000211102_100000186029 [0,2,0,0,0,0|1,0,0]=3 26814 B17R2.215 Brc1ccc(cc1)CNc2cccc(c2)I 34a_100000211102_100000189115 [0,2,0,0,0,0|1,0,0]=3 26815 B17R2.215 Brc1ccc(cc1)COc2cccc(c2)Br 34a_100000210342_100000189115 [0,2,0,0,0,0|2,0,0]=4 26816 B17R2.215 Brc1ccc(cc1)COc2cccc(c2)Br 7a_100000210342_100011217064 [0,2,0,0,0,0|2,0,0]=4 26817 B17R2.215 Brc1ccc(cc1)COc2cccc(c2)I 34a_100000211634_100000189115 [0,2,0,0,0,0|2,0,0]=4 26818 B17R2.215 Brc1ccc(cc1)COc2cccc(c2)I 7a_100000211634_100011217064 [0,2,0,0,0,0|2,0,0]=4 26819 B17R2.215 Brc1ccc(cc1)COc2cncc(c2)Br 34a_100000754920_100000189115 [0,2,0,0,0,0|2,0,0]=4 26820 B17R2.215 Brc1ccc(cc1)COc2cncc(c2)Br 7a_100000754920_100011217064 [0,2,0,0,0,0|2,0,0]=4 26821 B17R2.215 Brc1ccc(cc1)CSc2cccc(c2)Br 62a_100000189115_100000691529 [0,2,0,0,0,0|2,0,0]=4 26822 B17R2.215 Brc1ccc(cc1)CSc2cccc(c2)Br 62a_100000691529_100000189115 [0,2,0,0,0,0|2,0,0]=4 26823 B17R2.215 Brc1ccc(cc1)CSc2cncc(c2)Br 62a_100000189115_100000728054 [0,2,0,0,0,0|2,0,0]=4 26824 B17R2.215 Brc1ccc(cc1)CSc2cncc(c2)Br 62a_100000728054_100000189115 [0,2,0,0,0,0|2,0,0]=4 26825 B17R2.215 Brc1ccc(cc1)NCc2cc(ccn2)Br 2230a_100000210018_100010173614 [0,2,0,0,0,0|2,0,0]=4 26826 B17R2.215 Brc1ccc(cc1)NCc2cc(ccn2)Br 34a_100000210018_100010173614 [0,2,0,0,0,0|2,0,0]=4 26827 B17R2.215 Brc1ccc(cc1)NCc2cccc(c2)Br 207a_100000210018_100000210085 [0,2,0,0,0,0|1,0,0]=3 26828 B17R2.215 Brc1ccc(cc1)NCc2cccc(c2)Br 2230a_100000210018_100000698116 [0,2,0,0,0,0|1,0,0]=3 26829 B17R2.215 Brc1ccc(cc1)NCc2cccc(c2)Br 270302a_100000210018_100000210085 [0,2,0,0,0,0|1,0,0]=3 26830 B17R2.215 Brc1ccc(cc1)NCc2cccc(c2)Br 34a_100000210018_100000698116 [0,2,0,0,0,0|1,0,0]=3 26831 B17R2.215 Brc1ccc(cc1)NCc2cccc(c2)I 207a_100000210018_100000014684 [0,2,0,0,0,0|1,0,0]=3 26832 B17R2.215 Brc1ccc(cc1)NCc2cccc(c2)I 2230a_100000210018_100011218688 [0,2,0,0,0,0|1,0,0]=3 26833 B17R2.215 Brc1ccc(cc1)NCc2cccc(c2)I 270302a_100000210018_100000014684 [0,2,0,0,0,0|1,0,0]=3 26834 B17R2.215 Brc1ccc(cc1)NCc2cccc(c2)I 34a_100000210018_100011218688 [0,2,0,0,0,0|1,0,0]=3 26835 B17R2.215 Brc1ccc(cc1)NCc2cccc(n2)Br 2230a_100000210018_100009889011 [0,2,0,0,0,0|2,0,0]=4 26836 B17R2.215 Brc1ccc(cc1)NCc2cccc(n2)Br 34a_100000210018_100009889011 [0,2,0,0,0,0|2,0,0]=4 26837 B17R2.215 Brc1ccc(cc1)NCc2ccnc(c2)Br 2230a_100000210018_100010243470 [0,2,0,0,0,0|2,0,0]=4 26838 B17R2.215 Brc1ccc(cc1)NCc2ccnc(c2)Br 34a_100000210018_100010243470 [0,2,0,0,0,0|2,0,0]=4 26839 B17R2.215 Brc1ccc(cc1)NCc2cncc(c2)Br 207a_100000210018_100000687066 [0,2,0,0,0,0|0,0,0]=2 26840 B17R2.215 Brc1ccc(cc1)NCc2cncc(c2)Br 2230a_100000210018_100000738771 [0,2,0,0,0,0|0,0,0]=2 26841 B17R2.215 Brc1ccc(cc1)NCc2cncc(c2)Br 270302a_100000210018_100000687066 [0,2,0,0,0,0|0,0,0]=2 26842 B17R2.215 Brc1ccc(cc1)NCc2cncc(c2)Br 34a_100000210018_100000738771 [0,2,0,0,0,0|0,0,0]=2 26843 B17R2.215 Brc1ccc(cc1)OCc2cccc(c2)Br 34a_100000185759_100000698116 [0,2,0,0,0,0|2,0,0]=4 26844 B17R2.215 Brc1ccc(cc1)OCc2cccc(c2)Br 7a_100000185759_100000211773 [0,2,0,0,0,0|2,0,0]=4 26845 B17R2.215 Brc1ccc(cc1)OCc2cccc(c2)I 34a_100000185759_100011218688 [0,2,0,0,0,0|2,0,0]=4 26846 B17R2.215 Brc1ccc(cc1)OCc2cccc(c2)I 7a_100000185759_100011218688 [0,2,0,0,0,0|2,0,0]=4 26847 B17R2.215 Brc1ccc(cc1)OCc2cncc(c2)Br 34a_100000185759_100000738771 [0,2,0,0,0,0|1,0,0]=3 26848 B17R2.215 Brc1ccc(cc1)OCc2cncc(c2)Br 7a_100000185759_100000738771 [0,2,0,0,0,0|1,0,0]=3 26849 B17R2.215 Brc1ccc(cc1)SCc2cccc(c2)Br 62a_100000211773_100000752885 [0,2,0,0,0,0|2,0,0]=4 26850 B17R2.215 Brc1ccc(cc1)SCc2cccc(c2)Br 62a_100000752885_100000211773 [0,2,0,0,0,0|2,0,0]=4 26851 B17R2.215 Brc1ccc(cc1)SCc2cccc(c2)I 62a_100000752885_100011218688 [0,2,0,0,0,0|2,0,0]=4 26852 B17R2.215 Brc1ccc(cc1)SCc2cccc(c2)I 62a_100011218688_100000752885 [0,2,0,0,0,0|2,0,0]=4 26853 B17R2.215 Brc1ccc(cc1)SCc2cncc(c2)Br 62a_100000738771_100000752885 [0,2,0,0,0,0|1,0,0]=3 26854 B17R2.215 Brc1ccc(cc1)SCc2cncc(c2)Br 62a_100000752885_100000738771 [0,2,0,0,0,0|1,0,0]=3 26855 B17R2.215 Brc1ccc(cn1)CNc2cccc(c2)I 34a_100000211102_100009831999 [0,2,0,0,0,0|0,0,0]=2 26856 B17R2.215 Brc1ccc(cn1)COc2cccc(c2)I 34a_100000211634_100009831999 [0,2,0,0,0,0|1,0,0]=3 26857 B17R2.215 Brc1ccc(cn1)COc2cccc(c2)I 7a_100000211634_100009831999 [0,2,0,0,0,0|1,0,0]=3 26858 B17R2.215 Brc1ccc(cn1)CSc2cccc(n2)Br 62a_100000684672_100009831999 [0,2,0,0,0,0|2,0,0]=4 26859 B17R2.215 Brc1ccc(cn1)CSc2cccc(n2)Br 62a_100009831999_100000684672 [0,2,0,0,0,0|2,0,0]=4 26860 B17R2.215 Brc1ccc(cn1)CSc2ccnc(c2)Br 62a_100009814637_100009831999 [0,2,0,0,0,0|2,0,0]=4 26861 B17R2.215 Brc1ccc(cn1)CSc2ccnc(c2)Br 62a_100009831999_100009814637 [0,2,0,0,0,0|2,0,0]=4 26862 B17R2.215 Brc1ccc(cn1)OCc2cccc(c2)I 34a_100000685995_100011218688 [0,2,0,0,0,0|2,0,0]=4 26863 B17R2.215 Brc1ccc(cn1)OCc2cccc(c2)I 7a_100000685995_100011218688 [0,2,0,0,0,0|2,0,0]=4 26864 B17R2.215 Brc1ccc(cn1)SCc2cccc(c2)I 62a_100009814638_100011218688 [0,2,0,0,0,0|2,0,0]=4 26865 B17R2.215 Brc1ccc(cn1)SCc2cccc(c2)I 62a_100011218688_100009814638 [0,2,0,0,0,0|2,0,0]=4 26866 B17R2.215 Brc1ccc(nc1)CNc2cccc(c2)Br 207a_100000210019_100000754260 [0,2,0,0,0,0|2,0,0]=4 26867 B17R2.215 Brc1ccc(nc1)CNc2cccc(c2)Br 270302a_100000210019_100000754260 [0,2,0,0,0,0|2,0,0]=4 26868 B17R2.215 Brc1ccc(nc1)CNc2cccc(c2)Br 34a_100000210019_100000702658 [0,2,0,0,0,0|2,0,0]=4 26869 B17R2.215 Brc1ccc(nc1)CNc2cccc(c2)I 207a_100000211102_100000754260 [0,2,0,0,0,0|2,0,0]=4 26870 B17R2.215 Brc1ccc(nc1)CNc2cccc(c2)I 270302a_100000211102_100000754260 [0,2,0,0,0,0|2,0,0]=4 26871 B17R2.215 Brc1ccc(nc1)CNc2cccc(c2)I 34a_100000211102_100000702658 [0,2,0,0,0,0|2,0,0]=4 26872 B17R2.215 Brc1ccc(nc1)NCc2cccc(c2)Br 27a_100000174977_100000686858 [0,2,0,0,0,0|2,0,0]=4 26873 B17R2.215 Brc1ccc(nc1)NCc2cccc(c2)I 27a_100000106179_100000686858 [0,2,0,0,0,0|2,0,0]=4 26874 B17R2.215 Brc1ccc(nc1)NCc2cncc(c2)Br 27a_100011249555_100000686858 [0,2,0,0,0,0|1,0,0]=3 26875 B17R2.215 Brc1ccc(nc1)SCc2cncc(c2)Br 62a_100000686858_100000738771 [0,2,0,0,0,0|2,0,0]=4 26876 B17R2.215 Brc1ccc(nc1)SCc2cncc(c2)Br 62a_100000738771_100000686858 [0,2,0,0,0,0|2,0,0]=4 26877 B17R2.215 Brc1cccc(c1)CNc2ccc(cc2)I 207a_100000185761_100000210085 [0,2,0,0,0,0|1,0,0]=3 26878 B17R2.215 Brc1cccc(c1)CNc2ccc(cc2)I 270302a_100000185761_100000210085 [0,2,0,0,0,0|1,0,0]=3 26879 B17R2.215 Brc1cccc(c1)CNc2ccc(cc2)I 34a_100000185761_100000698116 [0,2,0,0,0,0|1,0,0]=3 26880 B17R2.215 Brc1cccc(c1)COc2ccc(cc2)I 34a_100000212066_100000698116 [0,2,0,0,0,0|2,0,0]=4 26881 B17R2.215 Brc1cccc(c1)COc2ccc(cc2)I 7a_100000212066_100000211773 [0,2,0,0,0,0|2,0,0]=4 26882 B17R2.215 Brc1cccc(c1)COc2ccc(nc2)Br 34a_100000685995_100000698116 [0,2,0,0,0,0|2,0,0]=4 26883 B17R2.215 Brc1cccc(c1)COc2ccc(nc2)Br 7a_100000685995_100000211773 [0,2,0,0,0,0|2,0,0]=4 26884 B17R2.215 Brc1cccc(c1)COc2ccc(nc2)I 34a_100000687607_100000698116 [0,2,0,0,0,0|2,0,0]=4 26885 B17R2.215 Brc1cccc(c1)COc2ccc(nc2)I 7a_100000687607_100000211773 [0,2,0,0,0,0|2,0,0]=4 26886 B17R2.215 Brc1cccc(c1)CSc2ccc(nc2)Br 62a_100000211773_100009814638 [0,2,0,0,0,0|2,0,0]=4 26887 B17R2.215 Brc1cccc(c1)CSc2ccc(nc2)Br 62a_100009814638_100000211773 [0,2,0,0,0,0|2,0,0]=4 26888 B17R2.215 Brc1cccc(c1)NCc2ccc(cc2)I 207a_100000210019_100000188517 [0,2,0,0,0,0|1,0,0]=3 26889 B17R2.215 Brc1cccc(c1)NCc2ccc(cc2)I 270302a_100000210019_100000188517 [0,2,0,0,0,0|1,0,0]=3 26890 B17R2.215 Brc1cccc(c1)NCc2ccc(cc2)I 34a_100000210019_100000189116 [0,2,0,0,0,0|1,0,0]=3 26891 B17R2.215 Brc1cccc(c1)NCc2ccc(nc2)Br 34a_100000210019_100009831999 [0,2,0,0,0,0|0,0,0]=2 26892 B17R2.215 Brc1cccc(c1)OCc2ccc(cc2)I 34a_100000210342_100000189116 [0,2,0,0,0,0|2,0,0]=4 26893 B17R2.215 Brc1cccc(c1)OCc2ccc(cc2)I 7a_100000210342_100000189116 [0,2,0,0,0,0|2,0,0]=4 26894 B17R2.215 Brc1cccc(c1)OCc2ccc(nc2)Br 34a_100000210342_100009831999 [0,2,0,0,0,0|1,0,0]=3 26895 B17R2.215 Brc1cccc(c1)OCc2ccc(nc2)Br 7a_100000210342_100009831999 [0,2,0,0,0,0|1,0,0]=3 26896 B17R2.215 Brc1cccc(c1)SCc2ccc(cc2)I 62a_100000189116_100000691529 [0,2,0,0,0,0|2,0,0]=4 26897 B17R2.215 Brc1cccc(c1)SCc2ccc(cc2)I 62a_100000691529_100000189116 [0,2,0,0,0,0|2,0,0]=4 26898 B17R2.215 Brc1cccc(c1)SCc2ccc(nc2)Br 62a_100000691529_100009831999 [0,2,0,0,0,0|1,0,0]=3 26899 B17R2.215 Brc1cccc(c1)SCc2ccc(nc2)Br 62a_100009831999_100000691529 [0,2,0,0,0,0|1,0,0]=3 26900 B17R2.215 Brc1cccc(n1)CNc2ccc(cc2)I 34a_100000185761_100009889011 [0,2,0,0,0,0|2,0,0]=4 26901 B17R2.215 Brc1ccnc(c1)CNc2ccc(cc2)I 34a_100000185761_100010173614 [0,2,0,0,0,0|2,0,0]=4 26902 B17R2.215 Brc1cnc(nc1)NCc2cncc(c2)Br 27a_100011249555_100000690281 [0,2,0,0,0,0|2,0,0]=4 26903 B17R2.215 Brc1cncc(c1)CNc2ccc(cc2)I 207a_100000185761_100000687066 [0,2,0,0,0,0|0,0,0]=2 26904 B17R2.215 Brc1cncc(c1)CNc2ccc(cc2)I 270302a_100000185761_100000687066 [0,2,0,0,0,0|0,0,0]=2 26905 B17R2.215 Brc1cncc(c1)CNc2ccc(cc2)I 34a_100000185761_100000738771 [0,2,0,0,0,0|0,0,0]=2 26906 B17R2.215 Brc1cncc(c1)CNc2cnc(cn2)Br 27a_100011249555_100010187541 [0,2,0,0,0,0|2,0,0]=4 26907 B17R2.215 Brc1cncc(c1)COc2ccc(cc2)I 34a_100000212066_100000738771 [0,2,0,0,0,0|1,0,0]=3 26908 B17R2.215 Brc1cncc(c1)COc2ccc(cc2)I 7a_100000212066_100000738771 [0,2,0,0,0,0|1,0,0]=3 26909 B17R2.215 Brc1cncc(c1)COc2ccc(nc2)Br 34a_100000685995_100000738771 [0,2,0,0,0,0|2,0,0]=4 26910 B17R2.215 Brc1cncc(c1)COc2ccc(nc2)Br 7a_100000685995_100000738771 [0,2,0,0,0,0|2,0,0]=4 26911 B17R2.215 Brc1cncc(c1)COc2ccc(nc2)I 34a_100000687607_100000738771 [0,2,0,0,0,0|2,0,0]=4 26912 B17R2.215 Brc1cncc(c1)COc2ccc(nc2)I 7a_100000687607_100000738771 [0,2,0,0,0,0|2,0,0]=4 26913 B17R2.215 Brc1cncc(c1)CSc2ccc(nc2)Br 62a_100000738771_100009814638 [0,2,0,0,0,0|2,0,0]=4 26914 B17R2.215 Brc1cncc(c1)CSc2ccc(nc2)Br 62a_100009814638_100000738771 [0,2,0,0,0,0|2,0,0]=4 26915 B17R2.215 Brc1cncc(c1)OCc2ccc(cc2)I 34a_100000754920_100000189116 [0,2,0,0,0,0|2,0,0]=4 26916 B17R2.215 Brc1cncc(c1)OCc2ccc(cc2)I 7a_100000754920_100000189116 [0,2,0,0,0,0|2,0,0]=4 26917 B17R2.215 Brc1cncc(c1)OCc2ccc(nc2)Br 34a_100000754920_100009831999 [0,2,0,0,0,0|2,0,0]=4 26918 B17R2.215 Brc1cncc(c1)OCc2ccc(nc2)Br 7a_100000754920_100009831999 [0,2,0,0,0,0|2,0,0]=4 26919 B17R2.215 Brc1cncc(c1)SCc2ccc(cc2)I 62a_100000189116_100000728054 [0,2,0,0,0,0|2,0,0]=4 26920 B17R2.215 Brc1cncc(c1)SCc2ccc(cc2)I 62a_100000728054_100000189116 [0,2,0,0,0,0|2,0,0]=4 26921 B17R2.215 Brc1cncc(c1)SCc2ccc(nc2)Br 62a_100000728054_100009831999 [0,2,0,0,0,0|2,0,0]=4 26922 B17R2.215 Brc1cncc(c1)SCc2ccc(nc2)Br 62a_100009831999_100000728054 [0,2,0,0,0,0|2,0,0]=4 26923 B17R2.215 C[n+]1cccc(c1)SCc2ccc(nc2)Br 62a_100009831999_100009996589 [0,2,0,0,0,0|2,0,0]=4 26924 B17R2.215 C[n+]1cccc(c1)SCc2ccc(nc2)Br 62a_100009996589_100009831999 [0,2,0,0,0,0|2,0,0]=4 26925 B17R2.215 C[n+]1cccc(c1)SCc2ccc(nc2)Cl 62a_100000735431_100009996589 [0,2,0,0,0,0|2,0,0]=4 26926 B17R2.215 C[n+]1cccc(c1)SCc2ccc(nc2)Cl 62a_100009996589_100000735431 [0,2,0,0,0,0|2,0,0]=4 26927 B17R2.215 C[n+]1cccc(c1)SCc2ccc(nc2)F 62a_100009820150_100009996589 [0,2,0,0,0,0|2,0,0]=4 26928 B17R2.215 C[n+]1cccc(c1)SCc2ccc(nc2)F 62a_100009996589_100000099788 [0,2,0,0,0,0|2,0,0]=4 26929 B17R2.215 Cc1cc(ccn1)CNc2ccc(cc2)Br 207a_100000210018_100011361630 [0,2,0,0,0,0|2,0,0]=4 26930 B17R2.215 Cc1cc(ccn1)CNc2ccc(cc2)Br 2230a_100000210018_200020672517 [0,2,0,0,0,0|2,0,0]=4 26931 B17R2.215 Cc1cc(ccn1)CNc2ccc(cc2)Br 34a_100000210018_200020672517 [0,2,0,0,0,0|2,0,0]=4 26932 B17R2.215 Cc1cc(ccn1)CNc2ccc(cc2)Cl 207a_100000210052_100011361630 [0,2,0,0,0,0|2,0,0]=4 26933 B17R2.215 Cc1cc(ccn1)CNc2ccc(cc2)Cl 2230a_100000210052_200020672517 [0,2,0,0,0,0|2,0,0]=4 26934 B17R2.215 Cc1cc(ccn1)CNc2ccc(cc2)Cl 34a_100000210052_200020672517 [0,2,0,0,0,0|2,0,0]=4 26935 B17R2.215 Cc1cc(ccn1)CNc2ccc(cc2)F 207a_100000185862_100011361630 [0,2,0,0,0,0|2,0,0]=4 26936 B17R2.215 Cc1cc(ccn1)CNc2ccc(cc2)F 34a_100000185862_200020672517 [0,2,0,0,0,0|2,0,0]=4 26937 B17R2.215 Cc1cc(ccn1)CNc2ccc(cc2)I 207a_100000185761_100011361630 [0,2,0,0,0,0|2,0,0]=4 26938 B17R2.215 Cc1cc(ccn1)CNc2ccc(cc2)I 34a_100000185761_200020672517 [0,2,0,0,0,0|2,0,0]=4 26939 B17R2.215 Cc1cc(ccn1)CNc2ccc(cc2)O 34a_100000185829_200020672517 [0,2,0,0,0,0|2,0,0]=4 26940 B17R2.215 Cc1cc(ccn1)NCc2ccc(cc2)Br 27a_100000174875_100000758586 [0,2,0,0,0,0|2,0,0]=4 26941 B17R2.215 Cc1cc(ccn1)NCc2ccc(cc2)Cl 27a_100000174871_100000758586 [0,2,0,0,0,0|2,0,0]=4 26942 B17R2.215 Cc1cc(ccn1)NCc2ccc(cc2)F 27a_100000174882_100000758586 [0,2,0,0,0,0|2,0,0]=4 26943 B17R2.215 Cc1cc(ccn1)NCc2ccc(cc2)I 27a_100016989417_100000758586 [0,2,0,0,0,0|2,0,0]=4 26944 B17R2.215 Cc1cc(ccn1)NCc2ccc(cc2)O 27a_100000185549_100000758586 [0,2,0,0,0,0|2,0,0]=4 26945 B17R2.215 Cc1cc(ccn1)NCc2ccc(nc2)Br 27a_100009817727_100000758586 [0,2,0,0,0,0|1,0,0]=3 26946 B17R2.215 Cc1cc(ccn1)NCc2ccc(nc2)Cl 27a_100000735879_100000758586 [0,2,0,0,0,0|1,0,0]=3 26947 B17R2.215 Cc1cc(ccn1)NCc2ccc(nc2)F 27a_100000101913_100000758586 [0,2,0,0,0,0|1,0,0]=3 26948 B17R2.215 Cc1cc(ccn1)NCc2ccc(nc2)O 27a_100000757128_100000758586 [0,2,0,0,0,0|1,0,0]=3 26949 B17R2.215 Cc1cc(ccn1)OCc2ccc(nc2)Br 34a_100000688365_100009831999 [0,2,0,0,0,0|2,0,0]=4 26950 B17R2.215 Cc1cc(ccn1)OCc2ccc(nc2)Cl 34a_100000688365_100000735431 [0,2,0,0,0,0|2,0,0]=4 26951 B17R2.215 Cc1cc(ccn1)OCc2ccc(nc2)F 34a_100000688365_100000099788 [0,2,0,0,0,0|2,0,0]=4 26952 B17R2.215 Cc1cc(ccn1)SCc2ccc(nc2)Br 62a_100000758586_100009831999 [0,2,0,0,0,0|2,0,0]=4 26953 B17R2.215 Cc1cc(ccn1)SCc2ccc(nc2)Br 62a_100009831999_100000758586 [0,2,0,0,0,0|2,0,0]=4 26954 B17R2.215 Cc1cc(ccn1)SCc2ccc(nc2)Cl 62a_100000735431_100000758586 [0,2,0,0,0,0|2,0,0]=4 26955 B17R2.215 Cc1cc(ccn1)SCc2ccc(nc2)Cl 62a_100000758586_100000735431 [0,2,0,0,0,0|2,0,0]=4 26956 B17R2.215 Cc1cc(ccn1)SCc2ccc(nc2)F 62a_100000758586_100000099788 [0,2,0,0,0,0|2,0,0]=4 26957 B17R2.215 Cc1cc(ccn1)SCc2ccc(nc2)F 62a_100009820150_100000758586 [0,2,0,0,0,0|2,0,0]=4 26958 B17R2.215 Cc1cc(ncn1)NCc2ccc(nc2)Br 27a_100009817727_100000744208 [0,2,0,0,0,0|2,0,0]=4 26959 B17R2.215 Cc1cc(ncn1)NCc2ccc(nc2)Cl 27a_100000735879_100000744208 [0,2,0,0,0,0|2,0,0]=4 26960 B17R2.215 Cc1cc(ncn1)NCc2ccc(nc2)F 27a_100000101913_100000744208 [0,2,0,0,0,0|2,0,0]=4 26961 B17R2.215 Cc1cc(ncn1)NCc2ccc(nc2)O 27a_100000757128_100000744208 [0,2,0,0,0,0|2,0,0]=4 26962 B17R2.215 Cc1ccc(cc1)C=Cc2cncc(c2)Br 271570a_100102527916_100000728054 [0,2,0,0,0,0|1,0,1]=4 26963 B17R2.215 Cc1ccc(cc1)C=Cc2cncc(c2)C 271570a_100102527916_100000760492 [0,2,0,0,0,0|1,0,1]=4 26964 B17R2.215 Cc1ccc(cc1)C=Cc2cncc(c2)Cl 271570a_100102527916_100000049639 [0,2,0,0,0,0|1,0,1]=4 26965 B17R2.215 Cc1ccc(cc1)C=Cc2cncc(c2)F 271570a_100102527916_100000744099 [0,2,0,0,0,0|1,0,1]=4 26966 B17R2.215 Cc1ccc(cc1)C=Cc2cncc(c2)N 271570a_100102527916_100000687067 [0,2,0,0,0,0|1,0,1]=4 26967 B17R2.215 Cc1ccc(cc1)C=Cc2cncc(c2)O 271570a_100102527916_100000754920 [0,2,0,0,0,0|1,0,1]=4 26968 B17R2.215 Cc1ccc(cc1)CNc2cc(ccn2)F 27a_100000174908_100000764206 [0,2,0,0,0,0|2,0,0]=4 26969 B17R2.215 Cc1ccc(cc1)CNc2cc[nH]c(=O)c2 27a_100000174908_100000061649 [0,2,0,0,0,0|2,0,0]=4 26970 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)Br 207a_100000210019_100000211033 [0,2,0,0,0,0|1,0,0]=3 26971 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)Br 270302a_100000210019_100000211033 [0,2,0,0,0,0|1,0,0]=3 26972 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)Br 34a_100000210019_100000210814 [0,2,0,0,0,0|1,0,0]=3 26973 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)C 207a_100000188690_100000211033 [0,2,0,0,0,0|1,0,0]=3 26974 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)C 2230a_100000188690_100000210814 [0,2,0,0,0,0|1,0,0]=3 26975 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)C 270302a_100000188690_100000211033 [0,2,0,0,0,0|1,0,0]=3 26976 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)C 34a_100000188690_100000210814 [0,2,0,0,0,0|1,0,0]=3 26977 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)Cl 207a_100000185859_100000211033 [0,2,0,0,0,0|1,0,0]=3 26978 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)Cl 270302a_100000185859_100000211033 [0,2,0,0,0,0|1,0,0]=3 26979 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)Cl 34a_100000185859_100000210814 [0,2,0,0,0,0|1,0,0]=3 26980 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)F 207a_100000210047_100000211033 [0,2,0,0,0,0|1,0,0]=3 26981 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)F 270302a_100000210047_100000211033 [0,2,0,0,0,0|1,0,0]=3 26982 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)F 34a_100000210047_100000210814 [0,2,0,0,0,0|1,0,0]=3 26983 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)I 207a_100000211102_100000211033 [0,2,0,0,0,0|1,0,0]=3 26984 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)I 270302a_100000211102_100000211033 [0,2,0,0,0,0|1,0,0]=3 26985 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)I 34a_100000211102_100000210814 [0,2,0,0,0,0|1,0,0]=3 26986 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)O 270302a_100000210217_100000211033 [0,2,0,0,0,0|1,0,0]=3 26987 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)O 34a_100000210217_100000210814 [0,2,0,0,0,0|1,0,0]=3 26988 B17R2.215 Cc1ccc(cc1)CNc2cccc(n2)F 27a_100000174908_100009815982 [0,2,0,0,0,0|2,0,0]=4 26989 B17R2.215 Cc1ccc(cc1)CNc2ccnc(c2)C 27a_100000174908_100000758586 [0,2,0,0,0,0|2,0,0]=4 26990 B17R2.215 Cc1ccc(cc1)CNc2ccnc(c2)F 27a_100000174908_100009816116 [0,2,0,0,0,0|2,0,0]=4 26991 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)Br 34a_100000210342_100000210814 [0,2,0,0,0,0|2,0,0]=4 26992 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)Br 7a_100000210342_100000210814 [0,2,0,0,0,0|2,0,0]=4 26993 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)C 34a_100000210337_100000210814 [0,2,0,0,0,0|2,0,0]=4 26994 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)C 7a_100000210337_100000210814 [0,2,0,0,0,0|2,0,0]=4 26995 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)Cl 34a_100000210295_100000210814 [0,2,0,0,0,0|2,0,0]=4 26996 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)Cl 7a_100000210295_100000210814 [0,2,0,0,0,0|2,0,0]=4 26997 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)F 34a_100000210426_100000210814 [0,2,0,0,0,0|2,0,0]=4 26998 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)F 7a_100000210426_100000210814 [0,2,0,0,0,0|2,0,0]=4 26999 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)I 34a_100000211634_100000210814 [0,2,0,0,0,0|2,0,0]=4 27000 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)I 7a_100000211634_100000210814 [0,2,0,0,0,0|2,0,0]=4 27001 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)N 34a_100000210217_100000210814 [0,2,0,0,0,0|2,0,0]=4 27002 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)O 271570a_203496583355_200000151845 [0,2,0,0,0,0|2,0,0]=4 27003 B17R2.215 Cc1ccc(cc1)COc2cncc(c2)Br 34a_100000754920_100000210814 [0,2,0,0,0,0|2,0,0]=4 27004 B17R2.215 Cc1ccc(cc1)COc2cncc(c2)Br 7a_100000754920_100000210814 [0,2,0,0,0,0|2,0,0]=4 27005 B17R2.215 Cc1ccc(cc1)COc2cncc(c2)C 34a_100011830280_100000210814 [0,2,0,0,0,0|2,0,0]=4 27006 B17R2.215 Cc1ccc(cc1)COc2cncc(c2)C 7a_100011830280_100000210814 [0,2,0,0,0,0|2,0,0]=4 27007 B17R2.215 Cc1ccc(cc1)COc2cncc(c2)Cl 7a_100000032511_100000210814 [0,2,0,0,0,0|2,0,0]=4 27008 B17R2.215 Cc1ccc(cc1)COc2cncc(c2)F 34a_100011830296_100000210814 [0,2,0,0,0,0|2,0,0]=4 27009 B17R2.215 Cc1ccc(cc1)COc2cncc(c2)F 7a_100011830296_100000210814 [0,2,0,0,0,0|2,0,0]=4 27010 B17R2.215 Cc1ccc(cc1)COc2cncc(c2)N 34a_100011997051_100000210814 [0,2,0,0,0,0|2,0,0]=4 27011 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)Br 62a_100000210814_100000691529 [0,2,0,0,0,0|2,0,0]=4 27012 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)Br 62a_100000691529_100000210814 [0,2,0,0,0,0|2,0,0]=4 27013 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)C 62a_100000210814_100011215228 [0,2,0,0,0,0|2,0,0]=4 27014 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)C 62a_100011215228_100000210814 [0,2,0,0,0,0|2,0,0]=4 27015 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)Cl 62a_100000210814_100000699651 [0,2,0,0,0,0|2,0,0]=4 27016 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)Cl 62a_100000699651_100000210814 [0,2,0,0,0,0|2,0,0]=4 27017 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)F 62a_100000210814_100000685547 [0,2,0,0,0,0|2,0,0]=4 27018 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)F 62a_100000685547_100000210814 [0,2,0,0,0,0|2,0,0]=4 27019 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)N 62a_100000210019_100000210814 [0,2,0,0,0,0|2,0,0]=4 27020 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)N 62a_100000210814_100000210019 [0,2,0,0,0,0|2,0,0]=4 27021 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)O 62a_100000210814_100000211634 [0,2,0,0,0,0|2,0,0]=4 27022 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)[S] 62a_100000210814_114929384022 [0,2,0,0,0,0|2,0,0]=4 27023 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)[S] 62a_114929384022_100000210814 [0,2,0,0,0,0|2,0,0]=4 27024 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)Br 62a_100000210814_100000728054 [0,2,0,0,0,0|2,0,0]=4 27025 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)Br 62a_100000728054_100000210814 [0,2,0,0,0,0|2,0,0]=4 27026 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)C 62a_100000210814_100000760492 [0,2,0,0,0,0|2,0,0]=4 27027 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)C 62a_100000760492_100000210814 [0,2,0,0,0,0|2,0,0]=4 27028 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)Cl 62a_100000049639_100000210814 [0,2,0,0,0,0|2,0,0]=4 27029 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)Cl 62a_100000210814_100000049639 [0,2,0,0,0,0|2,0,0]=4 27030 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)F 62a_100000210814_100000744099 [0,2,0,0,0,0|2,0,0]=4 27031 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)F 62a_100000744099_100000210814 [0,2,0,0,0,0|2,0,0]=4 27032 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)N 62a_100000210814_100000687067 [0,2,0,0,0,0|2,0,0]=4 27033 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)N 62a_100000687067_100000210814 [0,2,0,0,0,0|2,0,0]=4 27034 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)O 62a_100000210814_100000754920 [0,2,0,0,0,0|2,0,0]=4 27035 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)O 62a_100000754920_100000210814 [0,2,0,0,0,0|2,0,0]=4 27036 B17R2.215 Cc1ccc(cc1)NCc2cc(ccn2)Br 34a_100000124888_100010173614 [0,2,0,0,0,0|2,0,0]=4 27037 B17R2.215 Cc1ccc(cc1)NCc2cc(ccn2)C 207a_100000124888_100011361488 [0,2,0,0,0,0|2,0,0]=4 27038 B17R2.215 Cc1ccc(cc1)NCc2cc(ccn2)C 34a_100000124888_100000718516 [0,2,0,0,0,0|2,0,0]=4 27039 B17R2.215 Cc1ccc(cc1)NCc2cc(ccn2)Cl 34a_100000124888_100016988179 [0,2,0,0,0,0|2,0,0]=4 27040 B17R2.215 Cc1ccc(cc1)NCc2cccc(=O)[nH]2 207a_100000124888_100011935257 [0,2,0,0,0,0|2,0,0]=4 27041 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)Br 207a_100000124888_100000210085 [0,2,0,0,0,0|1,0,0]=3 27042 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)Br 270302a_100000124888_100000210085 [0,2,0,0,0,0|1,0,0]=3 27043 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)Br 34a_100000124888_100000698116 [0,2,0,0,0,0|1,0,0]=3 27044 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)C 207a_100000124888_100000211157 [0,2,0,0,0,0|1,0,0]=3 27045 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)C 270302a_100000124888_100000211157 [0,2,0,0,0,0|1,0,0]=3 27046 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)C 34a_100000124888_100000211840 [0,2,0,0,0,0|1,0,0]=3 27047 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)Cl 207a_100000124888_100000210801 [0,2,0,0,0,0|1,0,0]=3 27048 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)Cl 270302a_100000124888_100000210801 [0,2,0,0,0,0|1,0,0]=3 27049 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)Cl 34a_100000124888_100000187163 [0,2,0,0,0,0|1,0,0]=3 27050 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)F 207a_100000124888_100000210812 [0,2,0,0,0,0|1,0,0]=3 27051 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)F 270302a_100000124888_100000210812 [0,2,0,0,0,0|1,0,0]=3 27052 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)F 34a_100000124888_100000187166 [0,2,0,0,0,0|1,0,0]=3 27053 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)I 207a_100000124888_100000014684 [0,2,0,0,0,0|1,0,0]=3 27054 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)I 270302a_100000124888_100000014684 [0,2,0,0,0,0|1,0,0]=3 27055 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)I 34a_100000124888_100011218688 [0,2,0,0,0,0|1,0,0]=3 27056 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)O 207a_100000124888_100000188321 [0,2,0,0,0,0|1,0,0]=3 27057 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)O 34a_100000124888_100011660834 [0,2,0,0,0,0|1,0,0]=3 27058 B17R2.215 Cc1ccc(cc1)NCc2cccc(n2)Br 34a_100000124888_100009889011 [0,2,0,0,0,0|2,0,0]=4 27059 B17R2.215 Cc1ccc(cc1)NCc2cccc(n2)C 207a_100000124888_100011215050 [0,2,0,0,0,0|2,0,0]=4 27060 B17R2.215 Cc1ccc(cc1)NCc2cccc(n2)C 34a_100000124888_100000757606 [0,2,0,0,0,0|2,0,0]=4 27061 B17R2.215 Cc1ccc(cc1)NCc2cccc(n2)Cl 34a_100000124888_100000086093 [0,2,0,0,0,0|2,0,0]=4 27062 B17R2.215 Cc1ccc(cc1)NCc2cccc(n2)F 34a_100000124888_100009819644 [0,2,0,0,0,0|2,0,0]=4 27063 B17R2.215 Cc1ccc(cc1)NCc2ccnc(c2)Br 34a_100000124888_100010243470 [0,2,0,0,0,0|2,0,0]=4 27064 B17R2.215 Cc1ccc(cc1)NCc2ccnc(c2)C 207a_100000124888_100011361630 [0,2,0,0,0,0|2,0,0]=4 27065 B17R2.215 Cc1ccc(cc1)NCc2ccnc(c2)C 34a_100000124888_200020672517 [0,2,0,0,0,0|2,0,0]=4 27066 B17R2.215 Cc1ccc(cc1)NCc2ccnc(c2)Cl 34a_100000124888_100000764220 [0,2,0,0,0,0|2,0,0]=4 27067 B17R2.215 Cc1ccc(cc1)NCc2ccnc(c2)O 207a_100000124888_100000688113 [0,2,0,0,0,0|2,0,0]=4 27068 B17R2.215 Cc1ccc(cc1)NCc2cncc(c2)Br 207a_100000124888_100000687066 [0,2,0,0,0,0|0,0,0]=2 27069 B17R2.215 Cc1ccc(cc1)NCc2cncc(c2)Br 270302a_100000124888_100000687066 [0,2,0,0,0,0|0,0,0]=2 27070 B17R2.215 Cc1ccc(cc1)NCc2cncc(c2)Br 34a_100000124888_100000738771 [0,2,0,0,0,0|0,0,0]=2 27071 B17R2.215 Cc1ccc(cc1)NCc2cncc(c2)C 207a_100000124888_100011998712 [0,2,0,0,0,0|0,0,0]=2 27072 B17R2.215 Cc1ccc(cc1)NCc2cncc(c2)C 270302a_100000124888_100011998712 [0,2,0,0,0,0|0,0,0]=2 27073 B17R2.215 Cc1ccc(cc1)NCc2cncc(c2)C 34a_100000124888_100000716715 [0,2,0,0,0,0|0,0,0]=2 27074 B17R2.215 Cc1ccc(cc1)NCc2cncc(c2)Cl 207a_100000124888_100000088910 [0,2,0,0,0,0|0,0,0]=2 27075 B17R2.215 Cc1ccc(cc1)NCc2cncc(c2)Cl 270302a_100000124888_100000088910 [0,2,0,0,0,0|0,0,0]=2 27076 B17R2.215 Cc1ccc(cc1)NCc2cncc(c2)Cl 34a_100000124888_100016992070 [0,2,0,0,0,0|0,0,0]=2 27077 B17R2.215 Cc1ccc(cc1)NCc2cncc(c2)F 207a_100000124888_100011361476 [0,2,0,0,0,0|0,0,0]=2 27078 B17R2.215 Cc1ccc(cc1)NCc2cncc(c2)F 270302a_100000124888_100011361476 [0,2,0,0,0,0|0,0,0]=2 27079 B17R2.215 Cc1ccc(cc1)NCc2cncc(c2)F 34a_100000124888_100000725299 [0,2,0,0,0,0|0,0,0]=2 27080 B17R2.215 Cc1ccc(cc1)NCc2cncc(c2)O 207a_100000124888_100012187055 [0,2,0,0,0,0|0,0,0]=2 27081 B17R2.215 Cc1ccc(cc1)NCc2cncc(n2)C 207a_100000124888_100000100294 [0,2,0,0,0,0|1,0,0]=3 27082 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)Br 34a_100000210336_100000698116 [0,2,0,0,0,0|2,0,0]=4 27083 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)Br 7a_100000210336_100000211773 [0,2,0,0,0,0|2,0,0]=4 27084 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)C 34a_100000210336_100000211840 [0,2,0,0,0,0|2,0,0]=4 27085 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)C 7a_100000210336_100000211840 [0,2,0,0,0,0|2,0,0]=4 27086 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)Cl 34a_100000210336_100000187163 [0,2,0,0,0,0|2,0,0]=4 27087 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)Cl 7a_100000210336_100000187163 [0,2,0,0,0,0|2,0,0]=4 27088 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)F 34a_100000210336_100000187166 [0,2,0,0,0,0|2,0,0]=4 27089 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)F 7a_100000210336_100000230114 [0,2,0,0,0,0|2,0,0]=4 27090 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)I 34a_100000210336_100011218688 [0,2,0,0,0,0|2,0,0]=4 27091 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)I 7a_100000210336_100011218688 [0,2,0,0,0,0|2,0,0]=4 27092 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)O 34a_100000210336_100011660834 [0,2,0,0,0,0|2,0,0]=4 27093 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)O 7a_100000210336_100000084143 [0,2,0,0,0,0|2,0,0]=4 27094 B17R2.215 Cc1ccc(cc1)OCc2cncc(c2)Br 34a_100000210336_100000738771 [0,2,0,0,0,0|1,0,0]=3 27095 B17R2.215 Cc1ccc(cc1)OCc2cncc(c2)Br 7a_100000210336_100000738771 [0,2,0,0,0,0|1,0,0]=3 27096 B17R2.215 Cc1ccc(cc1)OCc2cncc(c2)C 34a_100000210336_100000716715 [0,2,0,0,0,0|1,0,0]=3 27097 B17R2.215 Cc1ccc(cc1)OCc2cncc(c2)C 7a_100000210336_100000716715 [0,2,0,0,0,0|1,0,0]=3 27098 B17R2.215 Cc1ccc(cc1)OCc2cncc(c2)Cl 34a_100000210336_100016992070 [0,2,0,0,0,0|1,0,0]=3 27099 B17R2.215 Cc1ccc(cc1)OCc2cncc(c2)Cl 7a_100000210336_100016992070 [0,2,0,0,0,0|1,0,0]=3 27100 B17R2.215 Cc1ccc(cc1)OCc2cncc(c2)F 34a_100000210336_100000725299 [0,2,0,0,0,0|1,0,0]=3 27101 B17R2.215 Cc1ccc(cc1)OCc2cncc(c2)F 7a_100000210336_100000725299 [0,2,0,0,0,0|1,0,0]=3 27102 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)Br 62a_100000186775_100000211773 [0,2,0,0,0,0|2,0,0]=4 27103 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)Br 62a_100000211773_100000186775 [0,2,0,0,0,0|2,0,0]=4 27104 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)C 62a_100000186775_100000211840 [0,2,0,0,0,0|2,0,0]=4 27105 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)C 62a_100000211840_100000186775 [0,2,0,0,0,0|2,0,0]=4 27106 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)Cl 62a_100000186775_100000187163 [0,2,0,0,0,0|2,0,0]=4 27107 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)Cl 62a_100000187163_100000186775 [0,2,0,0,0,0|2,0,0]=4 27108 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)F 62a_100000186775_100000230114 [0,2,0,0,0,0|2,0,0]=4 27109 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)F 62a_100000230114_100000186775 [0,2,0,0,0,0|2,0,0]=4 27110 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)I 62a_100000186775_100011218688 [0,2,0,0,0,0|2,0,0]=4 27111 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)I 62a_100011218688_100000186775 [0,2,0,0,0,0|2,0,0]=4 27112 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)O 62a_100000186775_100011660834 [0,2,0,0,0,0|2,0,0]=4 27113 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)O 62a_100011660834_100000186775 [0,2,0,0,0,0|2,0,0]=4 27114 B17R2.215 Cc1ccc(cc1)SCc2cncc(c2)Br 62a_100000186775_100000738771 [0,2,0,0,0,0|1,0,0]=3 27115 B17R2.215 Cc1ccc(cc1)SCc2cncc(c2)Br 62a_100000738771_100000186775 [0,2,0,0,0,0|1,0,0]=3 27116 B17R2.215 Cc1ccc(cc1)SCc2cncc(c2)C 62a_100000186775_100000716715 [0,2,0,0,0,0|1,0,0]=3 27117 B17R2.215 Cc1ccc(cc1)SCc2cncc(c2)C 62a_100000716715_100000186775 [0,2,0,0,0,0|1,0,0]=3 27118 B17R2.215 Cc1ccc(cc1)SCc2cncc(c2)Cl 62a_100000186775_100016992070 [0,2,0,0,0,0|1,0,0]=3 27119 B17R2.215 Cc1ccc(cc1)SCc2cncc(c2)Cl 62a_100016992070_100000186775 [0,2,0,0,0,0|1,0,0]=3 27120 B17R2.215 Cc1ccc(cc1)SCc2cncc(c2)F 62a_100000186775_100000725299 [0,2,0,0,0,0|1,0,0]=3 27121 B17R2.215 Cc1ccc(cc1)SCc2cncc(c2)F 62a_100000725299_100000186775 [0,2,0,0,0,0|1,0,0]=3 27122 B17R2.215 Cc1ccc(cn1)C=Cc2cccc(c2)Cl 271570a_100102525933_100000751577 [0,2,0,0,0,0|1,0,1]=4 27123 B17R2.215 Cc1ccc(cn1)C=Cc2cccc(c2)F 271570a_100102525537_100000751577 [0,2,0,0,0,0|1,0,1]=4 27124 B17R2.215 Cc1ccc(cn1)CNc2c[n+](ccn2)[O-] 27a_100000740942_100009880115 [0,2,0,0,0,0|2,0,0]=4 27125 B17R2.215 Cc1ccc(cn1)CNc2cc(ccn2)F 27a_100000740942_100000764206 [0,2,0,0,0,0|1,0,0]=3 27126 B17R2.215 Cc1ccc(cn1)CNc2cc(ncn2)C 27a_100000740942_100000744208 [0,2,0,0,0,0|2,0,0]=4 27127 B17R2.215 Cc1ccc(cn1)CNc2cc(ncn2)F 27a_100000740942_200009880791 [0,2,0,0,0,0|2,0,0]=4 27128 B17R2.215 Cc1ccc(cn1)CNc2cc(ncn2)N 27a_100000740942_100000701291 [0,2,0,0,0,0|2,0,0]=4 27129 B17R2.215 Cc1ccc(cn1)CNc2cc(ncn2)O 27a_100000740942_100000765262 [0,2,0,0,0,0|2,0,0]=4 27130 B17R2.215 Cc1ccc(cn1)CNc2cc[nH]c(=O)c2 27a_100000740942_100000061649 [0,2,0,0,0,0|1,0,0]=3 27131 B17R2.215 Cc1ccc(cn1)CNc2cc[nH]c(=O)n2 27a_100000740942_200000134032 [0,2,0,0,0,0|2,0,0]=4 27132 B17R2.215 Cc1ccc(cn1)CNc2cccc(c2)Br 270302a_100000210019_100000743784 [0,2,0,0,0,0|0,0,0]=2 27133 B17R2.215 Cc1ccc(cn1)CNc2cccc(c2)Br 34a_100000210019_100016987292 [0,2,0,0,0,0|0,0,0]=2 27134 B17R2.215 Cc1ccc(cn1)CNc2cccc(c2)Cl 270302a_100000185859_100000743784 [0,2,0,0,0,0|0,0,0]=2 27135 B17R2.215 Cc1ccc(cn1)CNc2cccc(c2)Cl 34a_100000185859_100016987292 [0,2,0,0,0,0|0,0,0]=2 27136 B17R2.215 Cc1ccc(cn1)CNc2cccc(c2)F 270302a_100000210047_100000743784 [0,2,0,0,0,0|0,0,0]=2 27137 B17R2.215 Cc1ccc(cn1)CNc2cccc(c2)F 34a_100000210047_100016987292 [0,2,0,0,0,0|0,0,0]=2 27138 B17R2.215 Cc1ccc(cn1)CNc2cccc(c2)I 270302a_100000211102_100000743784 [0,2,0,0,0,0|0,0,0]=2 27139 B17R2.215 Cc1ccc(cn1)CNc2cccc(c2)I 34a_100000211102_100016987292 [0,2,0,0,0,0|0,0,0]=2 27140 B17R2.215 Cc1ccc(cn1)CNc2cccc(c2)O 270302a_100000210217_100000743784 [0,2,0,0,0,0|0,0,0]=2 27141 B17R2.215 Cc1ccc(cn1)CNc2cccc(c2)O 34a_100000210217_100016987292 [0,2,0,0,0,0|0,0,0]=2 27142 B17R2.215 Cc1ccc(cn1)CNc2cccc(n2)F 27a_100000740942_100009815982 [0,2,0,0,0,0|1,0,0]=3 27143 B17R2.215 Cc1ccc(cn1)CNc2ccnc(c2)C 27a_100000740942_100000758586 [0,2,0,0,0,0|1,0,0]=3 27144 B17R2.215 Cc1ccc(cn1)CNc2ccnc(c2)F 27a_100000740942_100009816116 [0,2,0,0,0,0|1,0,0]=3 27145 B17R2.215 Cc1ccc(cn1)CNc2ccnc(n2)C 27a_100000740942_100000749937 [0,2,0,0,0,0|2,0,0]=4 27146 B17R2.215 Cc1ccc(cn1)CNc2ccnc(n2)N 27a_100000740942_100000055538 [0,2,0,0,0,0|2,0,0]=4 27147 B17R2.215 Cc1ccc(cn1)CNc2cncc(n2)C 27a_100000740942_100000754123 [0,2,0,0,0,0|2,0,0]=4 27148 B17R2.215 Cc1ccc(cn1)CNc2cncc(n2)Cl 27a_100000740942_100010892449 [0,2,0,0,0,0|2,0,0]=4 27149 B17R2.215 Cc1ccc(cn1)CNc2cncc(n2)F 27a_100000740942_200009863489 [0,2,0,0,0,0|2,0,0]=4 27150 B17R2.215 Cc1ccc(cn1)CNc2nccc(n2)C 27a_100000740942_100000750684 [0,2,0,0,0,0|2,0,0]=4 27151 B17R2.215 Cc1ccc(cn1)CNc2nccc(n2)N 27a_100000740942_100000757536 [0,2,0,0,0,0|2,0,0]=4 27152 B17R2.215 Cc1ccc(cn1)CNc2nccc(n2)O 27a_100000740942_100011649813 [0,2,0,0,0,0|2,0,0]=4 27153 B17R2.215 Cc1ccc(cn1)COc2cc[nH]c(=O)c2 34a_100000032262_100016987292 [0,2,0,0,0,0|2,0,0]=4 27154 B17R2.215 Cc1ccc(cn1)COc2ccc[n+](c2)[O-] 34a_100000039713_100016987292 [0,2,0,0,0,0|2,0,0]=4 27155 B17R2.215 Cc1ccc(cn1)COc2ccc[n+](c2)[O-] 7a_100000039713_100016987292 [0,2,0,0,0,0|2,0,0]=4 27156 B17R2.215 Cc1ccc(cn1)COc2cccc(=O)[nH]2 34a_100000033347_100016987292 [0,2,0,0,0,0|2,0,0]=4 27157 B17R2.215 Cc1ccc(cn1)COc2cccc(c2)Br 34a_100000210342_100016987292 [0,2,0,0,0,0|1,0,0]=3 27158 B17R2.215 Cc1ccc(cn1)COc2cccc(c2)Br 7a_100000210342_100016987292 [0,2,0,0,0,0|1,0,0]=3 27159 B17R2.215 Cc1ccc(cn1)COc2cccc(c2)Cl 34a_100000210295_100016987292 [0,2,0,0,0,0|1,0,0]=3 27160 B17R2.215 Cc1ccc(cn1)COc2cccc(c2)Cl 7a_100000210295_100016987292 [0,2,0,0,0,0|1,0,0]=3 27161 B17R2.215 Cc1ccc(cn1)COc2cccc(c2)F 34a_100000210426_100016987292 [0,2,0,0,0,0|1,0,0]=3 27162 B17R2.215 Cc1ccc(cn1)COc2cccc(c2)F 7a_100000210426_100016987292 [0,2,0,0,0,0|1,0,0]=3 27163 B17R2.215 Cc1ccc(cn1)COc2cccc(c2)I 34a_100000211634_100016987292 [0,2,0,0,0,0|1,0,0]=3 27164 B17R2.215 Cc1ccc(cn1)COc2cccc(c2)I 7a_100000211634_100016987292 [0,2,0,0,0,0|1,0,0]=3 27165 B17R2.215 Cc1ccc(cn1)COc2cccc(c2)N 34a_100000210217_100016987292 [0,2,0,0,0,0|1,0,0]=3 27166 B17R2.215 Cc1ccc(cn1)COc2cccc(n2)F 34a_100011432558_100016987292 [0,2,0,0,0,0|2,0,0]=4 27167 B17R2.215 Cc1ccc(cn1)COc2ccnc(c2)C 34a_100000688365_100016987292 [0,2,0,0,0,0|2,0,0]=4 27168 B17R2.215 Cc1ccc(cn1)COc2ccnc(c2)Cl 34a_100000762945_100016987292 [0,2,0,0,0,0|2,0,0]=4 27169 B17R2.215 Cc1ccc(cn1)COc2ccnc(c2)F 34a_100000732698_100016987292 [0,2,0,0,0,0|2,0,0]=4 27170 B17R2.215 Cc1ccc(cn1)COc2ccnc(c2)N 34a_100011834064_100016987292 [0,2,0,0,0,0|2,0,0]=4 27171 B17R2.215 Cc1ccc(cn1)COc2cncc(c2)Br 34a_100000754920_100016987292 [0,2,0,0,0,0|2,0,0]=4 27172 B17R2.215 Cc1ccc(cn1)COc2cncc(c2)Br 7a_100000754920_100016987292 [0,2,0,0,0,0|2,0,0]=4 27173 B17R2.215 Cc1ccc(cn1)COc2cncc(c2)Cl 7a_100000032511_100016987292 [0,2,0,0,0,0|2,0,0]=4 27174 B17R2.215 Cc1ccc(cn1)COc2cncc(c2)F 34a_100011830296_100016987292 [0,2,0,0,0,0|2,0,0]=4 27175 B17R2.215 Cc1ccc(cn1)COc2cncc(c2)F 7a_100011830296_100016987292 [0,2,0,0,0,0|2,0,0]=4 27176 B17R2.215 Cc1ccc(cn1)COc2cncc(c2)N 34a_100011997051_100016987292 [0,2,0,0,0,0|2,0,0]=4 27177 B17R2.215 Cc1ccc(cn1)CSc2cc(=O)cc[nH]2 62a_100009817434_100016987292 [0,2,0,0,0,0|2,0,0]=4 27178 B17R2.215 Cc1ccc(cn1)CSc2cc(ccn2)Cl 62a_100010167805_100016987292 [0,2,0,0,0,0|2,0,0]=4 27179 B17R2.215 Cc1ccc(cn1)CSc2cc(ccn2)Cl 62a_100016987292_100010167805 [0,2,0,0,0,0|2,0,0]=4 27180 B17R2.215 Cc1ccc(cn1)CSc2cc(ccn2)F 62a_100000764206_100016987292 [0,2,0,0,0,0|2,0,0]=4 27181 B17R2.215 Cc1ccc(cn1)CSc2cc(ccn2)F 62a_100016987292_100000764206 [0,2,0,0,0,0|2,0,0]=4 27182 B17R2.215 Cc1ccc(cn1)CSc2cc(ccn2)N 62a_100009814236_100016987292 [0,2,0,0,0,0|2,0,0]=4 27183 B17R2.215 Cc1ccc(cn1)CSc2cc(ccn2)N 62a_100016987292_100009814236 [0,2,0,0,0,0|2,0,0]=4 27184 B17R2.215 Cc1ccc(cn1)CSc2cc(ccn2)O 62a_100016987292_100000762945 [0,2,0,0,0,0|2,0,0]=4 27185 B17R2.215 Cc1ccc(cn1)CSc2cc[nH]c(=O)c2 62a_100009816521_100016987292 [0,2,0,0,0,0|2,0,0]=4 27186 B17R2.215 Cc1ccc(cn1)CSc2cc[nH]c(=O)c2 62a_100016987292_100009816521 [0,2,0,0,0,0|2,0,0]=4 27187 B17R2.215 Cc1ccc(cn1)CSc2ccc[n+](c2)C 62a_100009996589_100016987292 [0,2,0,0,0,0|2,0,0]=4 27188 B17R2.215 Cc1ccc(cn1)CSc2ccc[n+](c2)C 62a_100016987292_100009996589 [0,2,0,0,0,0|2,0,0]=4 27189 B17R2.215 Cc1ccc(cn1)CSc2ccc[n+](c2)[O-] 62a_100016987292_100009815978 [0,2,0,0,0,0|2,0,0]=4 27190 B17R2.215 Cc1ccc(cn1)CSc2cccc(=O)[nH]2 62a_100016987292_100000752884 [0,2,0,0,0,0|2,0,0]=4 27191 B17R2.215 Cc1ccc(cn1)CSc2cccc(c2)Br 62a_100000691529_100016987292 [0,2,0,0,0,0|1,0,0]=3 27192 B17R2.215 Cc1ccc(cn1)CSc2cccc(c2)Br 62a_100016987292_100000691529 [0,2,0,0,0,0|1,0,0]=3 27193 B17R2.215 Cc1ccc(cn1)CSc2cccc(c2)Cl 62a_100000699651_100016987292 [0,2,0,0,0,0|1,0,0]=3 27194 B17R2.215 Cc1ccc(cn1)CSc2cccc(c2)Cl 62a_100016987292_100000699651 [0,2,0,0,0,0|1,0,0]=3 27195 B17R2.215 Cc1ccc(cn1)CSc2cccc(c2)F 62a_100000685547_100016987292 [0,2,0,0,0,0|1,0,0]=3 27196 B17R2.215 Cc1ccc(cn1)CSc2cccc(c2)F 62a_100016987292_100000685547 [0,2,0,0,0,0|1,0,0]=3 27197 B17R2.215 Cc1ccc(cn1)CSc2cccc(c2)N 62a_100000210019_100016987292 [0,2,0,0,0,0|1,0,0]=3 27198 B17R2.215 Cc1ccc(cn1)CSc2cccc(c2)N 62a_100016987292_100000210019 [0,2,0,0,0,0|1,0,0]=3 27199 B17R2.215 Cc1ccc(cn1)CSc2cccc(c2)O 62a_100016987292_100000211634 [0,2,0,0,0,0|1,0,0]=3 27200 B17R2.215 Cc1ccc(cn1)CSc2cccc(c2)[S] 62a_100016987292_114929384022 [0,2,0,0,0,0|1,0,0]=3 27201 B17R2.215 Cc1ccc(cn1)CSc2cccc(c2)[S] 62a_114929384022_100016987292 [0,2,0,0,0,0|1,0,0]=3 27202 B17R2.215 Cc1ccc(cn1)CSc2cccc(n2)Br 62a_100000684672_100016987292 [0,2,0,0,0,0|2,0,0]=4 27203 B17R2.215 Cc1ccc(cn1)CSc2cccc(n2)Br 62a_100016987292_100000684672 [0,2,0,0,0,0|2,0,0]=4 27204 B17R2.215 Cc1ccc(cn1)CSc2cccc(n2)C 62a_100000742759_100016987292 [0,2,0,0,0,0|2,0,0]=4 27205 B17R2.215 Cc1ccc(cn1)CSc2cccc(n2)C 62a_100016987292_100000742759 [0,2,0,0,0,0|2,0,0]=4 27206 B17R2.215 Cc1ccc(cn1)CSc2cccc(n2)Cl 62a_100000051397_100016987292 [0,2,0,0,0,0|2,0,0]=4 27207 B17R2.215 Cc1ccc(cn1)CSc2cccc(n2)Cl 62a_100016987292_100000051397 [0,2,0,0,0,0|2,0,0]=4 27208 B17R2.215 Cc1ccc(cn1)CSc2cccc(n2)F 62a_100009815982_100016987292 [0,2,0,0,0,0|2,0,0]=4 27209 B17R2.215 Cc1ccc(cn1)CSc2cccc(n2)F 62a_100016987292_100009815982 [0,2,0,0,0,0|2,0,0]=4 27210 B17R2.215 Cc1ccc(cn1)CSc2cccc(n2)N 62a_100000740741_100016987292 [0,2,0,0,0,0|2,0,0]=4 27211 B17R2.215 Cc1ccc(cn1)CSc2cccc(n2)N 62a_100016987292_100000740741 [0,2,0,0,0,0|2,0,0]=4 27212 B17R2.215 Cc1ccc(cn1)CSc2ccnc(c2)Br 62a_100009814637_100016987292 [0,2,0,0,0,0|2,0,0]=4 27213 B17R2.215 Cc1ccc(cn1)CSc2ccnc(c2)Br 62a_100016987292_100009814637 [0,2,0,0,0,0|2,0,0]=4 27214 B17R2.215 Cc1ccc(cn1)CSc2ccnc(c2)C 62a_100000758586_100016987292 [0,2,0,0,0,0|2,0,0]=4 27215 B17R2.215 Cc1ccc(cn1)CSc2ccnc(c2)C 62a_100016987292_100000758586 [0,2,0,0,0,0|2,0,0]=4 27216 B17R2.215 Cc1ccc(cn1)CSc2ccnc(c2)Cl 62a_100000035001_100016987292 [0,2,0,0,0,0|2,0,0]=4 27217 B17R2.215 Cc1ccc(cn1)CSc2ccnc(c2)Cl 62a_100016987292_100000035001 [0,2,0,0,0,0|2,0,0]=4 27218 B17R2.215 Cc1ccc(cn1)CSc2ccnc(c2)F 62a_100009816116_100016987292 [0,2,0,0,0,0|2,0,0]=4 27219 B17R2.215 Cc1ccc(cn1)CSc2ccnc(c2)F 62a_100016987292_100009816116 [0,2,0,0,0,0|2,0,0]=4 27220 B17R2.215 Cc1ccc(cn1)CSc2ccnc(c2)N 62a_100000049665_100016987292 [0,2,0,0,0,0|2,0,0]=4 27221 B17R2.215 Cc1ccc(cn1)CSc2ccnc(c2)N 62a_100016987292_100000049665 [0,2,0,0,0,0|2,0,0]=4 27222 B17R2.215 Cc1ccc(cn1)CSc2cncc(c2)Br 62a_100000728054_100016987292 [0,2,0,0,0,0|2,0,0]=4 27223 B17R2.215 Cc1ccc(cn1)CSc2cncc(c2)Br 62a_100016987292_100000728054 [0,2,0,0,0,0|2,0,0]=4 27224 B17R2.215 Cc1ccc(cn1)CSc2cncc(c2)Cl 62a_100000049639_100016987292 [0,2,0,0,0,0|2,0,0]=4 27225 B17R2.215 Cc1ccc(cn1)CSc2cncc(c2)Cl 62a_100016987292_100000049639 [0,2,0,0,0,0|2,0,0]=4 27226 B17R2.215 Cc1ccc(cn1)CSc2cncc(c2)F 62a_100000744099_100016987292 [0,2,0,0,0,0|2,0,0]=4 27227 B17R2.215 Cc1ccc(cn1)CSc2cncc(c2)F 62a_100016987292_100000744099 [0,2,0,0,0,0|2,0,0]=4 27228 B17R2.215 Cc1ccc(cn1)CSc2cncc(c2)N 62a_100000687067_100016987292 [0,2,0,0,0,0|2,0,0]=4 27229 B17R2.215 Cc1ccc(cn1)CSc2cncc(c2)N 62a_100016987292_100000687067 [0,2,0,0,0,0|2,0,0]=4 27230 B17R2.215 Cc1ccc(cn1)CSc2cncc(c2)O 62a_100000754920_100016987292 [0,2,0,0,0,0|2,0,0]=4 27231 B17R2.215 Cc1ccc(cn1)CSc2cncc(c2)O 62a_100016987292_100000754920 [0,2,0,0,0,0|2,0,0]=4 27232 B17R2.215 Cc1ccc(cn1)OCc2cccc(c2)Br 34a_100000745506_100000698116 [0,2,0,0,0,0|2,0,0]=4 27233 B17R2.215 Cc1ccc(cn1)OCc2cccc(c2)Br 7a_100000745506_100000211773 [0,2,0,0,0,0|2,0,0]=4 27234 B17R2.215 Cc1ccc(cn1)OCc2cccc(c2)Cl 34a_100000745506_100000187163 [0,2,0,0,0,0|2,0,0]=4 27235 B17R2.215 Cc1ccc(cn1)OCc2cccc(c2)Cl 7a_100000745506_100000187163 [0,2,0,0,0,0|2,0,0]=4 27236 B17R2.215 Cc1ccc(cn1)OCc2cccc(c2)F 34a_100000745506_100000187166 [0,2,0,0,0,0|2,0,0]=4 27237 B17R2.215 Cc1ccc(cn1)OCc2cccc(c2)F 7a_100000745506_100000230114 [0,2,0,0,0,0|2,0,0]=4 27238 B17R2.215 Cc1ccc(cn1)OCc2cccc(c2)I 34a_100000745506_100011218688 [0,2,0,0,0,0|2,0,0]=4 27239 B17R2.215 Cc1ccc(cn1)OCc2cccc(c2)I 7a_100000745506_100011218688 [0,2,0,0,0,0|2,0,0]=4 27240 B17R2.215 Cc1ccc(cn1)OCc2cccc(c2)O 34a_100000745506_100011660834 [0,2,0,0,0,0|2,0,0]=4 27241 B17R2.215 Cc1ccc(cn1)OCc2cccc(c2)O 7a_100000745506_100000084143 [0,2,0,0,0,0|2,0,0]=4 27242 B17R2.215 Cc1ccc(cn1)OCc2cncc(c2)Br 34a_100000745506_100000738771 [0,2,0,0,0,0|2,0,0]=4 27243 B17R2.215 Cc1ccc(cn1)OCc2cncc(c2)Br 7a_100000745506_100000738771 [0,2,0,0,0,0|2,0,0]=4 27244 B17R2.215 Cc1ccc(cn1)OCc2cncc(c2)Cl 34a_100000745506_100016992070 [0,2,0,0,0,0|2,0,0]=4 27245 B17R2.215 Cc1ccc(cn1)OCc2cncc(c2)Cl 7a_100000745506_100016992070 [0,2,0,0,0,0|2,0,0]=4 27246 B17R2.215 Cc1ccc(cn1)OCc2cncc(c2)F 34a_100000745506_100000725299 [0,2,0,0,0,0|2,0,0]=4 27247 B17R2.215 Cc1ccc(cn1)OCc2cncc(c2)F 7a_100000745506_100000725299 [0,2,0,0,0,0|2,0,0]=4 27248 B17R2.215 Cc1ccc(cn1)SCc2cccc(c2)Br 62a_100000211773_100000751577 [0,2,0,0,0,0|2,0,0]=4 27249 B17R2.215 Cc1ccc(cn1)SCc2cccc(c2)Br 62a_100000751577_100000211773 [0,2,0,0,0,0|2,0,0]=4 27250 B17R2.215 Cc1ccc(cn1)SCc2cccc(c2)Cl 62a_100000187163_100000751577 [0,2,0,0,0,0|2,0,0]=4 27251 B17R2.215 Cc1ccc(cn1)SCc2cccc(c2)Cl 62a_100000751577_100000187163 [0,2,0,0,0,0|2,0,0]=4 27252 B17R2.215 Cc1ccc(cn1)SCc2cccc(c2)F 62a_100000230114_100000751577 [0,2,0,0,0,0|2,0,0]=4 27253 B17R2.215 Cc1ccc(cn1)SCc2cccc(c2)F 62a_100000751577_100000230114 [0,2,0,0,0,0|2,0,0]=4 27254 B17R2.215 Cc1ccc(cn1)SCc2cccc(c2)I 62a_100000751577_100011218688 [0,2,0,0,0,0|2,0,0]=4 27255 B17R2.215 Cc1ccc(cn1)SCc2cccc(c2)I 62a_100011218688_100000751577 [0,2,0,0,0,0|2,0,0]=4 27256 B17R2.215 Cc1ccc(cn1)SCc2cccc(c2)O 62a_100000751577_100011660834 [0,2,0,0,0,0|2,0,0]=4 27257 B17R2.215 Cc1ccc(cn1)SCc2cccc(c2)O 62a_100011660834_100000751577 [0,2,0,0,0,0|2,0,0]=4 27258 B17R2.215 Cc1ccc(cn1)SCc2cncc(c2)Br 62a_100000738771_100000751577 [0,2,0,0,0,0|2,0,0]=4 27259 B17R2.215 Cc1ccc(cn1)SCc2cncc(c2)Br 62a_100000751577_100000738771 [0,2,0,0,0,0|2,0,0]=4 27260 B17R2.215 Cc1ccc(cn1)SCc2cncc(c2)Cl 62a_100000751577_100016992070 [0,2,0,0,0,0|2,0,0]=4 27261 B17R2.215 Cc1ccc(cn1)SCc2cncc(c2)Cl 62a_100016992070_100000751577 [0,2,0,0,0,0|2,0,0]=4 27262 B17R2.215 Cc1ccc(cn1)SCc2cncc(c2)F 62a_100000725299_100000751577 [0,2,0,0,0,0|2,0,0]=4 27263 B17R2.215 Cc1ccc(cn1)SCc2cncc(c2)F 62a_100000751577_100000725299 [0,2,0,0,0,0|2,0,0]=4 27264 B17R2.215 Cc1ccc(nc1)CNc2cccc(c2)Br 207a_100000210019_100000050478 [0,2,0,0,0,0|2,0,0]=4 27265 B17R2.215 Cc1ccc(nc1)CNc2cccc(c2)Br 34a_100000210019_100000691093 [0,2,0,0,0,0|2,0,0]=4 27266 B17R2.215 Cc1ccc(nc1)CNc2cccc(c2)C 207a_100000188690_100000050478 [0,2,0,0,0,0|2,0,0]=4 27267 B17R2.215 Cc1ccc(nc1)CNc2cccc(c2)C 2230a_100000188690_100000691093 [0,2,0,0,0,0|2,0,0]=4 27268 B17R2.215 Cc1ccc(nc1)CNc2cccc(c2)C 34a_100000188690_100000691093 [0,2,0,0,0,0|2,0,0]=4 27269 B17R2.215 Cc1ccc(nc1)CNc2cccc(c2)Cl 207a_100000185859_100000050478 [0,2,0,0,0,0|2,0,0]=4 27270 B17R2.215 Cc1ccc(nc1)CNc2cccc(c2)Cl 34a_100000185859_100000691093 [0,2,0,0,0,0|2,0,0]=4 27271 B17R2.215 Cc1ccc(nc1)CNc2cccc(c2)F 207a_100000210047_100000050478 [0,2,0,0,0,0|2,0,0]=4 27272 B17R2.215 Cc1ccc(nc1)CNc2cccc(c2)F 34a_100000210047_100000691093 [0,2,0,0,0,0|2,0,0]=4 27273 B17R2.215 Cc1ccc(nc1)CNc2cccc(c2)I 207a_100000211102_100000050478 [0,2,0,0,0,0|2,0,0]=4 27274 B17R2.215 Cc1ccc(nc1)CNc2cccc(c2)I 34a_100000211102_100000691093 [0,2,0,0,0,0|2,0,0]=4 27275 B17R2.215 Cc1ccc(nc1)CNc2cccc(c2)O 34a_100000210217_100000691093 [0,2,0,0,0,0|2,0,0]=4 27276 B17R2.215 Cc1ccc(nc1)OCc2cncc(c2)Br 34a_100000759353_100000738771 [0,2,0,0,0,0|2,0,0]=4 27277 B17R2.215 Cc1ccc(nc1)OCc2cncc(c2)C 34a_100000759353_100000716715 [0,2,0,0,0,0|2,0,0]=4 27278 B17R2.215 Cc1ccc(nc1)OCc2cncc(c2)Cl 34a_100000759353_100016992070 [0,2,0,0,0,0|2,0,0]=4 27279 B17R2.215 Cc1ccc(nc1)OCc2cncc(c2)F 34a_100000759353_100000725299 [0,2,0,0,0,0|2,0,0]=4 27280 B17R2.215 Cc1ccc(nc1)SCc2cncc(c2)Br 62a_100000738771_100000754016 [0,2,0,0,0,0|2,0,0]=4 27281 B17R2.215 Cc1ccc(nc1)SCc2cncc(c2)Br 62a_100011192072_100000738771 [0,2,0,0,0,0|2,0,0]=4 27282 B17R2.215 Cc1ccc(nc1)SCc2cncc(c2)C 62a_100000716715_100000754016 [0,2,0,0,0,0|2,0,0]=4 27283 B17R2.215 Cc1ccc(nc1)SCc2cncc(c2)C 62a_100011192072_100000716715 [0,2,0,0,0,0|2,0,0]=4 27284 B17R2.215 Cc1ccc(nc1)SCc2cncc(c2)Cl 62a_100011192072_100016992070 [0,2,0,0,0,0|2,0,0]=4 27285 B17R2.215 Cc1ccc(nc1)SCc2cncc(c2)Cl 62a_100016992070_100000754016 [0,2,0,0,0,0|2,0,0]=4 27286 B17R2.215 Cc1ccc(nc1)SCc2cncc(c2)F 62a_100000725299_100000754016 [0,2,0,0,0,0|2,0,0]=4 27287 B17R2.215 Cc1ccc(nc1)SCc2cncc(c2)F 62a_100011192072_100000725299 [0,2,0,0,0,0|2,0,0]=4 27288 B17R2.215 Cc1ccc(nn1)NCc2cncc(c2)Br 27a_100011249555_100000744512 [0,2,0,0,0,0|2,0,0]=4 27289 B17R2.215 Cc1ccc(nn1)NCc2cncc(c2)Cl 27a_200020614424_100000744512 [0,2,0,0,0,0|2,0,0]=4 27290 B17R2.215 Cc1ccc(nn1)NCc2cncc(c2)F 27a_100011962886_100000744512 [0,2,0,0,0,0|2,0,0]=4 27291 B17R2.215 Cc1cccc(c1)C=Cc2ccc(nc2)Br 271570a_200135466880_100009814638 [0,2,0,0,0,0|1,0,1]=4 27292 B17R2.215 Cc1cccc(c1)C=Cc2ccc(nc2)C 271570a_200135466880_100000751577 [0,2,0,0,0,0|1,0,1]=4 27293 B17R2.215 Cc1cccc(c1)C=Cc2ccc(nc2)Cl 271570a_200135466880_100000034144 [0,2,0,0,0,0|1,0,1]=4 27294 B17R2.215 Cc1cccc(c1)C=Cc2ccc(nc2)F 271570a_200135466880_100000748661 [0,2,0,0,0,0|1,0,1]=4 27295 B17R2.215 Cc1cccc(c1)C=Cc2ccc(nc2)N 271570a_200135466880_100000187370 [0,2,0,0,0,0|1,0,1]=4 27296 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)Br 207a_100000210018_100000211157 [0,2,0,0,0,0|1,0,0]=3 27297 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)Br 2230a_100000210018_100000211840 [0,2,0,0,0,0|1,0,0]=3 27298 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)Br 270302a_100000210018_100000211157 [0,2,0,0,0,0|1,0,0]=3 27299 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)Br 34a_100000210018_100000211840 [0,2,0,0,0,0|1,0,0]=3 27300 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)Cl 207a_100000210052_100000211157 [0,2,0,0,0,0|1,0,0]=3 27301 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)Cl 2230a_100000210052_100000211840 [0,2,0,0,0,0|1,0,0]=3 27302 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)Cl 270302a_100000210052_100000211157 [0,2,0,0,0,0|1,0,0]=3 27303 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)Cl 34a_100000210052_100000211840 [0,2,0,0,0,0|1,0,0]=3 27304 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)F 207a_100000185862_100000211157 [0,2,0,0,0,0|1,0,0]=3 27305 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)F 270302a_100000185862_100000211157 [0,2,0,0,0,0|1,0,0]=3 27306 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)F 34a_100000185862_100000211840 [0,2,0,0,0,0|1,0,0]=3 27307 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)I 207a_100000185761_100000211157 [0,2,0,0,0,0|1,0,0]=3 27308 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)I 270302a_100000185761_100000211157 [0,2,0,0,0,0|1,0,0]=3 27309 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)I 34a_100000185761_100000211840 [0,2,0,0,0,0|1,0,0]=3 27310 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)O 270302a_100000185829_100000211157 [0,2,0,0,0,0|1,0,0]=3 27311 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)O 34a_100000185829_100000211840 [0,2,0,0,0,0|1,0,0]=3 27312 B17R2.215 Cc1cccc(c1)CNc2ccc(cn2)Br 27a_100000185548_100000686858 [0,2,0,0,0,0|2,0,0]=4 27313 B17R2.215 Cc1cccc(c1)COc2ccc(cc2)Br 34a_100000185759_100000211840 [0,2,0,0,0,0|2,0,0]=4 27314 B17R2.215 Cc1cccc(c1)COc2ccc(cc2)Br 7a_100000185759_100000211840 [0,2,0,0,0,0|2,0,0]=4 27315 B17R2.215 Cc1cccc(c1)COc2ccc(cc2)Cl 34a_100000210216_100000211840 [0,2,0,0,0,0|2,0,0]=4 27316 B17R2.215 Cc1cccc(c1)COc2ccc(cc2)Cl 7a_100000210216_100000211840 [0,2,0,0,0,0|2,0,0]=4 27317 B17R2.215 Cc1cccc(c1)COc2ccc(cc2)F 34a_100000210339_100000211840 [0,2,0,0,0,0|2,0,0]=4 27318 B17R2.215 Cc1cccc(c1)COc2ccc(cc2)I 34a_100000212066_100000211840 [0,2,0,0,0,0|2,0,0]=4 27319 B17R2.215 Cc1cccc(c1)COc2ccc(cc2)I 7a_100000212066_100000211840 [0,2,0,0,0,0|2,0,0]=4 27320 B17R2.215 Cc1cccc(c1)COc2ccc(cc2)N 34a_100000185829_100000211840 [0,2,0,0,0,0|2,0,0]=4 27321 B17R2.215 Cc1cccc(c1)COc2ccc(nc2)Br 34a_100000685995_100000211840 [0,2,0,0,0,0|2,0,0]=4 27322 B17R2.215 Cc1cccc(c1)COc2ccc(nc2)Br 7a_100000685995_100000211840 [0,2,0,0,0,0|2,0,0]=4 27323 B17R2.215 Cc1cccc(c1)COc2ccc(nc2)C 34a_100000745506_100000211840 [0,2,0,0,0,0|2,0,0]=4 27324 B17R2.215 Cc1cccc(c1)COc2ccc(nc2)C 7a_100000745506_100000211840 [0,2,0,0,0,0|2,0,0]=4 27325 B17R2.215 Cc1cccc(c1)COc2ccc(nc2)Cl 34a_100000744096_100000211840 [0,2,0,0,0,0|2,0,0]=4 27326 B17R2.215 Cc1cccc(c1)COc2ccc(nc2)Cl 7a_100000744096_100000211840 [0,2,0,0,0,0|2,0,0]=4 27327 B17R2.215 Cc1cccc(c1)COc2ccc(nc2)F 34a_100000688820_100000211840 [0,2,0,0,0,0|2,0,0]=4 27328 B17R2.215 Cc1cccc(c1)COc2ccc(nc2)F 7a_100000688820_100000211840 [0,2,0,0,0,0|2,0,0]=4 27329 B17R2.215 Cc1cccc(c1)COc2ccc(nc2)I 34a_100000687607_100000211840 [0,2,0,0,0,0|2,0,0]=4 27330 B17R2.215 Cc1cccc(c1)COc2ccc(nc2)I 7a_100000687607_100000211840 [0,2,0,0,0,0|2,0,0]=4 27331 B17R2.215 Cc1cccc(c1)COc2ccc(nc2)N 34a_100015188713_100000211840 [0,2,0,0,0,0|2,0,0]=4 27332 B17R2.215 Cc1cccc(c1)COc2ccc(nc2)N 7a_100015188713_100000211840 [0,2,0,0,0,0|2,0,0]=4 27333 B17R2.215 Cc1cccc(c1)CSc2ccc(cc2)Br 62a_100000211840_100000752885 [0,2,0,0,0,0|2,0,0]=4 27334 B17R2.215 Cc1cccc(c1)CSc2ccc(cc2)Br 62a_100000752885_100000211840 [0,2,0,0,0,0|2,0,0]=4 27335 B17R2.215 Cc1cccc(c1)CSc2ccc(cc2)Cl 62a_100000211840_100000755918 [0,2,0,0,0,0|2,0,0]=4 27336 B17R2.215 Cc1cccc(c1)CSc2ccc(cc2)Cl 62a_100000755918_100000211840 [0,2,0,0,0,0|2,0,0]=4 27337 B17R2.215 Cc1cccc(c1)CSc2ccc(cc2)F 62a_100000211213_100000211840 [0,2,0,0,0,0|2,0,0]=4 27338 B17R2.215 Cc1cccc(c1)CSc2ccc(cc2)F 62a_100000211840_100000211213 [0,2,0,0,0,0|2,0,0]=4 27339 B17R2.215 Cc1cccc(c1)CSc2ccc(cc2)N 62a_100000185761_100000211840 [0,2,0,0,0,0|2,0,0]=4 27340 B17R2.215 Cc1cccc(c1)CSc2ccc(cc2)N 62a_100000211840_100000185761 [0,2,0,0,0,0|2,0,0]=4 27341 B17R2.215 Cc1cccc(c1)CSc2ccc(cc2)O 62a_100000211840_100000185759 [0,2,0,0,0,0|2,0,0]=4 27342 B17R2.215 Cc1cccc(c1)CSc2ccc(nc2)Br 62a_100000211840_100009814638 [0,2,0,0,0,0|2,0,0]=4 27343 B17R2.215 Cc1cccc(c1)CSc2ccc(nc2)Br 62a_100009814638_100000211840 [0,2,0,0,0,0|2,0,0]=4 27344 B17R2.215 Cc1cccc(c1)CSc2ccc(nc2)C 62a_100000211840_100000751577 [0,2,0,0,0,0|2,0,0]=4 27345 B17R2.215 Cc1cccc(c1)CSc2ccc(nc2)C 62a_100000751577_100000211840 [0,2,0,0,0,0|2,0,0]=4 27346 B17R2.215 Cc1cccc(c1)CSc2ccc(nc2)Cl 62a_100000034144_100000211840 [0,2,0,0,0,0|2,0,0]=4 27347 B17R2.215 Cc1cccc(c1)CSc2ccc(nc2)Cl 62a_100000211840_100000034144 [0,2,0,0,0,0|2,0,0]=4 27348 B17R2.215 Cc1cccc(c1)CSc2ccc(nc2)F 62a_100000042367_100000211840 [0,2,0,0,0,0|2,0,0]=4 27349 B17R2.215 Cc1cccc(c1)CSc2ccc(nc2)F 62a_100000211840_100000042367 [0,2,0,0,0,0|2,0,0]=4 27350 B17R2.215 Cc1cccc(c1)CSc2ccc(nc2)N 62a_100000187370_100000211840 [0,2,0,0,0,0|2,0,0]=4 27351 B17R2.215 Cc1cccc(c1)CSc2ccc(nc2)N 62a_100000211840_100000187370 [0,2,0,0,0,0|2,0,0]=4 27352 B17R2.215 Cc1cccc(c1)NCc2ccc(=O)[nH]n2 207a_100000188690_100011361533 [0,2,0,0,0,0|1,0,1]=4 27353 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)Br 207a_100000188690_100000186029 [0,2,0,0,0,0|1,0,0]=3 27354 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)Br 2230a_100000188690_100011217064 [0,2,0,0,0,0|1,0,0]=3 27355 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)Br 270302a_100000188690_100000186029 [0,2,0,0,0,0|1,0,0]=3 27356 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)Br 34a_100000188690_100000189115 [0,2,0,0,0,0|1,0,0]=3 27357 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)Cl 207a_100000188690_100000189385 [0,2,0,0,0,0|1,0,0]=3 27358 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)Cl 2230a_100000188690_100000694040 [0,2,0,0,0,0|1,0,0]=3 27359 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)Cl 270302a_100000188690_100000189385 [0,2,0,0,0,0|1,0,0]=3 27360 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)Cl 34a_100000188690_100000694040 [0,2,0,0,0,0|1,0,0]=3 27361 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)F 207a_100000188690_100000210084 [0,2,0,0,0,0|1,0,0]=3 27362 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)F 2230a_100000188690_100000198546 [0,2,0,0,0,0|1,0,0]=3 27363 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)F 270302a_100000188690_100000210084 [0,2,0,0,0,0|1,0,0]=3 27364 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)F 34a_100000188690_100000198546 [0,2,0,0,0,0|1,0,0]=3 27365 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)I 207a_100000188690_100000188517 [0,2,0,0,0,0|1,0,0]=3 27366 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)I 2230a_100000188690_100000189116 [0,2,0,0,0,0|1,0,0]=3 27367 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)I 270302a_100000188690_100000188517 [0,2,0,0,0,0|1,0,0]=3 27368 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)I 34a_100000188690_100000189116 [0,2,0,0,0,0|1,0,0]=3 27369 B17R2.215 Cc1cccc(c1)NCc2ccc(cn2)Br 207a_100000188690_100000754260 [0,2,0,0,0,0|2,0,0]=4 27370 B17R2.215 Cc1cccc(c1)NCc2ccc(cn2)Br 2230a_100000188690_100000702658 [0,2,0,0,0,0|2,0,0]=4 27371 B17R2.215 Cc1cccc(c1)NCc2ccc(cn2)Br 270302a_100000188690_100000754260 [0,2,0,0,0,0|2,0,0]=4 27372 B17R2.215 Cc1cccc(c1)NCc2ccc(cn2)Br 34a_100000188690_100000702658 [0,2,0,0,0,0|2,0,0]=4 27373 B17R2.215 Cc1cccc(c1)NCc2ccc(cn2)Cl 207a_100000188690_100011361569 [0,2,0,0,0,0|2,0,0]=4 27374 B17R2.215 Cc1cccc(c1)NCc2ccc(cn2)Cl 2230a_100000188690_100012066911 [0,2,0,0,0,0|2,0,0]=4 27375 B17R2.215 Cc1cccc(c1)NCc2ccc(cn2)Cl 270302a_100000188690_100011361569 [0,2,0,0,0,0|2,0,0]=4 27376 B17R2.215 Cc1cccc(c1)NCc2ccc(cn2)Cl 34a_100000188690_100012066911 [0,2,0,0,0,0|2,0,0]=4 27377 B17R2.215 Cc1cccc(c1)NCc2ccc(cn2)F 207a_100000188690_100011934744 [0,2,0,0,0,0|2,0,0]=4 27378 B17R2.215 Cc1cccc(c1)NCc2ccc(cn2)F 2230a_100000188690_100000703193 [0,2,0,0,0,0|2,0,0]=4 27379 B17R2.215 Cc1cccc(c1)NCc2ccc(cn2)F 34a_100000188690_100000703193 [0,2,0,0,0,0|2,0,0]=4 27380 B17R2.215 Cc1cccc(c1)NCc2ccc(nc2)Br 2230a_100000188690_100009831999 [0,2,0,0,0,0|0,0,0]=2 27381 B17R2.215 Cc1cccc(c1)NCc2ccc(nc2)Br 34a_100000188690_100009831999 [0,2,0,0,0,0|0,0,0]=2 27382 B17R2.215 Cc1cccc(c1)NCc2ccc(nc2)C 2230a_100000188690_100016987292 [0,2,0,0,0,0|0,0,0]=2 27383 B17R2.215 Cc1cccc(c1)NCc2ccc(nc2)C 270302a_100000188690_100000743784 [0,2,0,0,0,0|0,0,0]=2 27384 B17R2.215 Cc1cccc(c1)NCc2ccc(nc2)C 34a_100000188690_100016987292 [0,2,0,0,0,0|0,0,0]=2 27385 B17R2.215 Cc1cccc(c1)NCc2ccc(nc2)Cl 2230a_100000188690_100000735431 [0,2,0,0,0,0|0,0,0]=2 27386 B17R2.215 Cc1cccc(c1)NCc2ccc(nc2)Cl 270302a_100000188690_100000766901 [0,2,0,0,0,0|0,0,0]=2 27387 B17R2.215 Cc1cccc(c1)NCc2ccc(nc2)Cl 34a_100000188690_100000735431 [0,2,0,0,0,0|0,0,0]=2 27388 B17R2.215 Cc1cccc(c1)NCc2ccc(nc2)F 2230a_100000188690_100009820150 [0,2,0,0,0,0|0,0,0]=2 27389 B17R2.215 Cc1cccc(c1)NCc2ccc(nc2)F 270302a_100000188690_100000068566 [0,2,0,0,0,0|0,0,0]=2 27390 B17R2.215 Cc1cccc(c1)NCc2ccc(nc2)F 34a_100000188690_100000099788 [0,2,0,0,0,0|0,0,0]=2 27391 B17R2.215 Cc1cccc(c1)NCc2ccc(nc2)O 207a_100000188690_100011361521 [0,2,0,0,0,0|0,0,0]=2 27392 B17R2.215 Cc1cccc(c1)NCc2ccc(nc2)O 270302a_100000188690_100011361521 [0,2,0,0,0,0|0,0,0]=2 27393 B17R2.215 Cc1cccc(c1)NCc2ccc(nn2)Cl 2230a_100000188690_100016992710 [0,2,0,0,0,0|1,0,0]=3 27394 B17R2.215 Cc1cccc(c1)NCc2ccc(nn2)Cl 34a_100000188690_100016992710 [0,2,0,0,0,0|1,0,0]=3 27395 B17R2.215 Cc1cccc(c1)NCc2cnc(cn2)C 2230a_100000188690_100000752025 [0,2,0,0,0,0|1,0,0]=3 27396 B17R2.215 Cc1cccc(c1)OCc2ccc(cc2)Br 34a_100000210337_100000189115 [0,2,0,0,0,0|2,0,0]=4 27397 B17R2.215 Cc1cccc(c1)OCc2ccc(cc2)Br 7a_100000210337_100011217064 [0,2,0,0,0,0|2,0,0]=4 27398 B17R2.215 Cc1cccc(c1)OCc2ccc(cc2)Cl 34a_100000210337_100000694040 [0,2,0,0,0,0|2,0,0]=4 27399 B17R2.215 Cc1cccc(c1)OCc2ccc(cc2)Cl 7a_100000210337_100000187161 [0,2,0,0,0,0|2,0,0]=4 27400 B17R2.215 Cc1cccc(c1)OCc2ccc(cc2)F 34a_100000210337_100000198546 [0,2,0,0,0,0|2,0,0]=4 27401 B17R2.215 Cc1cccc(c1)OCc2ccc(cc2)F 7a_100000210337_100000198546 [0,2,0,0,0,0|2,0,0]=4 27402 B17R2.215 Cc1cccc(c1)OCc2ccc(cc2)I 34a_100000210337_100000189116 [0,2,0,0,0,0|2,0,0]=4 27403 B17R2.215 Cc1cccc(c1)OCc2ccc(cc2)I 7a_100000210337_100000189116 [0,2,0,0,0,0|2,0,0]=4 27404 B17R2.215 Cc1cccc(c1)OCc2ccc(nc2)Br 34a_100000210337_100009831999 [0,2,0,0,0,0|1,0,0]=3 27405 B17R2.215 Cc1cccc(c1)OCc2ccc(nc2)Br 7a_100000210337_100009831999 [0,2,0,0,0,0|1,0,0]=3 27406 B17R2.215 Cc1cccc(c1)OCc2ccc(nc2)C 34a_100000210337_100016987292 [0,2,0,0,0,0|1,0,0]=3 27407 B17R2.215 Cc1cccc(c1)OCc2ccc(nc2)C 7a_100000210337_100016987292 [0,2,0,0,0,0|1,0,0]=3 27408 B17R2.215 Cc1cccc(c1)OCc2ccc(nc2)Cl 34a_100000210337_100000735431 [0,2,0,0,0,0|1,0,0]=3 27409 B17R2.215 Cc1cccc(c1)OCc2ccc(nc2)Cl 7a_100000210337_100000735431 [0,2,0,0,0,0|1,0,0]=3 27410 B17R2.215 Cc1cccc(c1)OCc2ccc(nc2)F 34a_100000210337_100000099788 [0,2,0,0,0,0|1,0,0]=3 27411 B17R2.215 Cc1cccc(c1)OCc2ccc(nc2)F 7a_100000210337_100009820150 [0,2,0,0,0,0|1,0,0]=3 27412 B17R2.215 Cc1cccc(c1)OCc2ccc(nn2)Cl 34a_100000210337_100016992710 [0,2,0,0,0,0|2,0,0]=4 27413 B17R2.215 Cc1cccc(c1)OCc2ccc(nn2)Cl 7a_100000210337_100016992710 [0,2,0,0,0,0|2,0,0]=4 27414 B17R2.215 Cc1cccc(c1)OCc2cnc(cn2)C 7a_100000210337_100000752025 [0,2,0,0,0,0|2,0,0]=4 27415 B17R2.215 Cc1cccc(c1)SCc2ccc(cc2)Br 62a_100000189115_100011215228 [0,2,0,0,0,0|2,0,0]=4 27416 B17R2.215 Cc1cccc(c1)SCc2ccc(cc2)Br 62a_100011215228_100000189115 [0,2,0,0,0,0|2,0,0]=4 27417 B17R2.215 Cc1cccc(c1)SCc2ccc(cc2)Cl 62a_100000187161_100011215228 [0,2,0,0,0,0|2,0,0]=4 27418 B17R2.215 Cc1cccc(c1)SCc2ccc(cc2)Cl 62a_100011215228_100000187161 [0,2,0,0,0,0|2,0,0]=4 27419 B17R2.215 Cc1cccc(c1)SCc2ccc(cc2)F 62a_100000198546_100011215228 [0,2,0,0,0,0|2,0,0]=4 27420 B17R2.215 Cc1cccc(c1)SCc2ccc(cc2)F 62a_100011215228_100000187164 [0,2,0,0,0,0|2,0,0]=4 27421 B17R2.215 Cc1cccc(c1)SCc2ccc(cc2)I 62a_100000189116_100011215228 [0,2,0,0,0,0|2,0,0]=4 27422 B17R2.215 Cc1cccc(c1)SCc2ccc(cc2)I 62a_100011215228_100000189116 [0,2,0,0,0,0|2,0,0]=4 27423 B17R2.215 Cc1cccc(c1)SCc2ccc(nc2)Br 62a_100009831999_100011215228 [0,2,0,0,0,0|1,0,0]=3 27424 B17R2.215 Cc1cccc(c1)SCc2ccc(nc2)Br 62a_100011215228_100009831999 [0,2,0,0,0,0|1,0,0]=3 27425 B17R2.215 Cc1cccc(c1)SCc2ccc(nc2)C 62a_100011215228_100016987292 [0,2,0,0,0,0|1,0,0]=3 27426 B17R2.215 Cc1cccc(c1)SCc2ccc(nc2)C 62a_100016987292_100011215228 [0,2,0,0,0,0|1,0,0]=3 27427 B17R2.215 Cc1cccc(c1)SCc2ccc(nc2)Cl 62a_100000735431_100011215228 [0,2,0,0,0,0|1,0,0]=3 27428 B17R2.215 Cc1cccc(c1)SCc2ccc(nc2)Cl 62a_100011215228_100000735431 [0,2,0,0,0,0|1,0,0]=3 27429 B17R2.215 Cc1cccc(c1)SCc2ccc(nc2)F 62a_100009820150_100011215228 [0,2,0,0,0,0|1,0,0]=3 27430 B17R2.215 Cc1cccc(c1)SCc2ccc(nc2)F 62a_100011215228_100000099788 [0,2,0,0,0,0|1,0,0]=3 27431 B17R2.215 Cc1cccc(c1)SCc2ccc(nn2)Cl 62a_100011215228_100016992710 [0,2,0,0,0,0|2,0,0]=4 27432 B17R2.215 Cc1cccc(c1)SCc2ccc(nn2)Cl 62a_100016992710_100011215228 [0,2,0,0,0,0|2,0,0]=4 27433 B17R2.215 Cc1cccc(c1)SCc2cnc(cn2)C 62a_100000752025_100011215228 [0,2,0,0,0,0|2,0,0]=4 27434 B17R2.215 Cc1cccc(c1)SCc2cnc(cn2)C 62a_100011215228_100000752025 [0,2,0,0,0,0|2,0,0]=4 27435 B17R2.215 Cc1cccc(n1)CNc2ccc(cc2)Br 207a_100000210018_100011215050 [0,2,0,0,0,0|2,0,0]=4 27436 B17R2.215 Cc1cccc(n1)CNc2ccc(cc2)Br 2230a_100000210018_100000757606 [0,2,0,0,0,0|2,0,0]=4 27437 B17R2.215 Cc1cccc(n1)CNc2ccc(cc2)Br 34a_100000210018_100000757606 [0,2,0,0,0,0|2,0,0]=4 27438 B17R2.215 Cc1cccc(n1)CNc2ccc(cc2)Cl 207a_100000210052_100011215050 [0,2,0,0,0,0|2,0,0]=4 27439 B17R2.215 Cc1cccc(n1)CNc2ccc(cc2)Cl 2230a_100000210052_100000757606 [0,2,0,0,0,0|2,0,0]=4 27440 B17R2.215 Cc1cccc(n1)CNc2ccc(cc2)Cl 34a_100000210052_100000757606 [0,2,0,0,0,0|2,0,0]=4 27441 B17R2.215 Cc1cccc(n1)CNc2ccc(cc2)F 207a_100000185862_100011215050 [0,2,0,0,0,0|2,0,0]=4 27442 B17R2.215 Cc1cccc(n1)CNc2ccc(cc2)F 34a_100000185862_100000757606 [0,2,0,0,0,0|2,0,0]=4 27443 B17R2.215 Cc1cccc(n1)CNc2ccc(cc2)I 207a_100000185761_100011215050 [0,2,0,0,0,0|2,0,0]=4 27444 B17R2.215 Cc1cccc(n1)CNc2ccc(cc2)I 34a_100000185761_100000757606 [0,2,0,0,0,0|2,0,0]=4 27445 B17R2.215 Cc1cccc(n1)CNc2ccc(cc2)O 34a_100000185829_100000757606 [0,2,0,0,0,0|2,0,0]=4 27446 B17R2.215 Cc1cccc(n1)SCc2ccc(nc2)Br 62a_100000742759_100009831999 [0,2,0,0,0,0|2,0,0]=4 27447 B17R2.215 Cc1cccc(n1)SCc2ccc(nc2)Br 62a_100009831999_100000742759 [0,2,0,0,0,0|2,0,0]=4 27448 B17R2.215 Cc1cccc(n1)SCc2ccc(nc2)Cl 62a_100000735431_100000742759 [0,2,0,0,0,0|2,0,0]=4 27449 B17R2.215 Cc1cccc(n1)SCc2ccc(nc2)Cl 62a_100000742759_100000735431 [0,2,0,0,0,0|2,0,0]=4 27450 B17R2.215 Cc1cccc(n1)SCc2ccc(nc2)F 62a_100000742759_100000099788 [0,2,0,0,0,0|2,0,0]=4 27451 B17R2.215 Cc1cccc(n1)SCc2ccc(nc2)F 62a_100009820150_100000742759 [0,2,0,0,0,0|2,0,0]=4 27452 B17R2.215 Cc1ccnc(c1)CNc2ccc(cc2)Br 207a_100000210018_100011361488 [0,2,0,0,0,0|2,0,0]=4 27453 B17R2.215 Cc1ccnc(c1)CNc2ccc(cc2)Br 2230a_100000210018_100000718516 [0,2,0,0,0,0|2,0,0]=4 27454 B17R2.215 Cc1ccnc(c1)CNc2ccc(cc2)Br 34a_100000210018_100000718516 [0,2,0,0,0,0|2,0,0]=4 27455 B17R2.215 Cc1ccnc(c1)CNc2ccc(cc2)Cl 207a_100000210052_100011361488 [0,2,0,0,0,0|2,0,0]=4 27456 B17R2.215 Cc1ccnc(c1)CNc2ccc(cc2)Cl 2230a_100000210052_100000718516 [0,2,0,0,0,0|2,0,0]=4 27457 B17R2.215 Cc1ccnc(c1)CNc2ccc(cc2)Cl 34a_100000210052_100000718516 [0,2,0,0,0,0|2,0,0]=4 27458 B17R2.215 Cc1ccnc(c1)CNc2ccc(cc2)F 207a_100000185862_100011361488 [0,2,0,0,0,0|2,0,0]=4 27459 B17R2.215 Cc1ccnc(c1)CNc2ccc(cc2)F 34a_100000185862_100000718516 [0,2,0,0,0,0|2,0,0]=4 27460 B17R2.215 Cc1ccnc(c1)CNc2ccc(cc2)I 207a_100000185761_100011361488 [0,2,0,0,0,0|2,0,0]=4 27461 B17R2.215 Cc1ccnc(c1)CNc2ccc(cc2)I 34a_100000185761_100000718516 [0,2,0,0,0,0|2,0,0]=4 27462 B17R2.215 Cc1ccnc(c1)CNc2ccc(cc2)O 34a_100000185829_100000718516 [0,2,0,0,0,0|2,0,0]=4 27463 B17R2.215 Cc1ccnc(c1)SCc2ccc(nc2)Br 62a_100000750283_100009831999 [0,2,0,0,0,0|2,0,0]=4 27464 B17R2.215 Cc1ccnc(c1)SCc2ccc(nc2)Br 62a_100009831999_100000750283 [0,2,0,0,0,0|2,0,0]=4 27465 B17R2.215 Cc1ccnc(c1)SCc2ccc(nc2)C 62a_100000750283_100016987292 [0,2,0,0,0,0|2,0,0]=4 27466 B17R2.215 Cc1ccnc(c1)SCc2ccc(nc2)C 62a_100016987292_100000750283 [0,2,0,0,0,0|2,0,0]=4 27467 B17R2.215 Cc1ccnc(c1)SCc2ccc(nc2)Cl 62a_100000735431_100000750283 [0,2,0,0,0,0|2,0,0]=4 27468 B17R2.215 Cc1ccnc(c1)SCc2ccc(nc2)Cl 62a_100000750283_100000735431 [0,2,0,0,0,0|2,0,0]=4 27469 B17R2.215 Cc1ccnc(c1)SCc2ccc(nc2)F 62a_100000750283_100000099788 [0,2,0,0,0,0|2,0,0]=4 27470 B17R2.215 Cc1ccnc(c1)SCc2ccc(nc2)F 62a_100009820150_100000750283 [0,2,0,0,0,0|2,0,0]=4 27471 B17R2.215 Cc1ccnc(n1)NCc2ccc(nc2)Br 27a_100009817727_100000750684 [0,2,0,0,0,0|2,0,0]=4 27472 B17R2.215 Cc1ccnc(n1)NCc2ccc(nc2)Cl 27a_100000735879_100000750684 [0,2,0,0,0,0|2,0,0]=4 27473 B17R2.215 Cc1ccnc(n1)NCc2ccc(nc2)F 27a_100000101913_100000750684 [0,2,0,0,0,0|2,0,0]=4 27474 B17R2.215 Cc1ccnc(n1)NCc2ccc(nc2)O 27a_100000757128_100000750684 [0,2,0,0,0,0|2,0,0]=4 27475 B17R2.215 Cc1cnc(cn1)CNc2cc(ccn2)F 27a_100132314150_100000764206 [0,2,0,0,0,0|2,0,0]=4 27476 B17R2.215 Cc1cnc(cn1)CNc2cc[nH]c(=O)c2 27a_100132314150_100000061649 [0,2,0,0,0,0|2,0,0]=4 27477 B17R2.215 Cc1cnc(cn1)CNc2cccc(n2)F 27a_100132314150_100009815982 [0,2,0,0,0,0|2,0,0]=4 27478 B17R2.215 Cc1cnc(cn1)CNc2ccnc(c2)C 27a_100132314150_100000758586 [0,2,0,0,0,0|2,0,0]=4 27479 B17R2.215 Cc1cnc(cn1)CNc2ccnc(c2)F 27a_100132314150_100009816116 [0,2,0,0,0,0|2,0,0]=4 27480 B17R2.215 Cc1cnc(cn1)COc2cccc(c2)Br 7a_100000210342_100000752025 [0,2,0,0,0,0|2,0,0]=4 27481 B17R2.215 Cc1cnc(cn1)COc2cccc(c2)Cl 7a_100000210295_100000752025 [0,2,0,0,0,0|2,0,0]=4 27482 B17R2.215 Cc1cnc(cn1)COc2cccc(c2)F 7a_100000210426_100000752025 [0,2,0,0,0,0|2,0,0]=4 27483 B17R2.215 Cc1cnc(cn1)COc2cccc(c2)I 7a_100000211634_100000752025 [0,2,0,0,0,0|2,0,0]=4 27484 B17R2.215 Cc1cnc(cn1)CSc2cccc(c2)Br 62a_100000691529_100000752025 [0,2,0,0,0,0|2,0,0]=4 27485 B17R2.215 Cc1cnc(cn1)CSc2cccc(c2)Br 62a_100000752025_100000691529 [0,2,0,0,0,0|2,0,0]=4 27486 B17R2.215 Cc1cnc(cn1)CSc2cccc(c2)Cl 62a_100000699651_100000752025 [0,2,0,0,0,0|2,0,0]=4 27487 B17R2.215 Cc1cnc(cn1)CSc2cccc(c2)Cl 62a_100000752025_100000699651 [0,2,0,0,0,0|2,0,0]=4 27488 B17R2.215 Cc1cnc(cn1)CSc2cccc(c2)F 62a_100000685547_100000752025 [0,2,0,0,0,0|2,0,0]=4 27489 B17R2.215 Cc1cnc(cn1)CSc2cccc(c2)F 62a_100000752025_100000685547 [0,2,0,0,0,0|2,0,0]=4 27490 B17R2.215 Cc1cnc(cn1)CSc2cccc(c2)N 62a_100000210019_100000752025 [0,2,0,0,0,0|2,0,0]=4 27491 B17R2.215 Cc1cnc(cn1)CSc2cccc(c2)N 62a_100000752025_100000210019 [0,2,0,0,0,0|2,0,0]=4 27492 B17R2.215 Cc1cnc(cn1)CSc2cccc(c2)O 62a_100000752025_100000211634 [0,2,0,0,0,0|2,0,0]=4 27493 B17R2.215 Cc1cnc(cn1)CSc2cccc(c2)[S] 62a_100000752025_114929384022 [0,2,0,0,0,0|2,0,0]=4 27494 B17R2.215 Cc1cnc(cn1)CSc2cccc(c2)[S] 62a_114929384022_100000752025 [0,2,0,0,0,0|2,0,0]=4 27495 B17R2.215 Cc1cnc(cn1)NCc2cncc(c2)Br 27a_100011249555_100000074397 [0,2,0,0,0,0|2,0,0]=4 27496 B17R2.215 Cc1cnc(cn1)NCc2cncc(c2)Cl 27a_200020614424_100000074397 [0,2,0,0,0,0|2,0,0]=4 27497 B17R2.215 Cc1cnc(cn1)NCc2cncc(c2)F 27a_100011962886_100000074397 [0,2,0,0,0,0|2,0,0]=4 27498 B17R2.215 Cc1cnc(nc1)NCc2cncc(c2)Br 27a_100011249555_100000061069 [0,2,0,0,0,0|2,0,0]=4 27499 B17R2.215 Cc1cnc(nc1)NCc2cncc(c2)C 27a_100000692839_100000061069 [0,2,0,0,0,0|2,0,0]=4 27500 B17R2.215 Cc1cnc(nc1)NCc2cncc(c2)Cl 27a_200020614424_100000061069 [0,2,0,0,0,0|2,0,0]=4 27501 B17R2.215 Cc1cnc(nc1)NCc2cncc(c2)F 27a_100011962886_100000061069 [0,2,0,0,0,0|2,0,0]=4 27502 B17R2.215 Cc1cncc(c1)C=Cc2ccc(cc2)Br 271570a_100102527914_100000760492 [0,2,0,0,0,0|1,0,1]=4 27503 B17R2.215 Cc1cncc(c1)C=Cc2ccc(cc2)Cl 271570a_100102527930_100000760492 [0,2,0,0,0,0|1,0,1]=4 27504 B17R2.215 Cc1cncc(c1)C=Cc2ccc(cc2)F 271570a_100102525539_100000760492 [0,2,0,0,0,0|1,0,1]=4 27505 B17R2.215 Cc1cncc(c1)CNc2ccc(cc2)Br 207a_100000210018_100011998712 [0,2,0,0,0,0|0,0,0]=2 27506 B17R2.215 Cc1cncc(c1)CNc2ccc(cc2)Br 2230a_100000210018_100000716715 [0,2,0,0,0,0|0,0,0]=2 27507 B17R2.215 Cc1cncc(c1)CNc2ccc(cc2)Br 270302a_100000210018_100011998712 [0,2,0,0,0,0|0,0,0]=2 27508 B17R2.215 Cc1cncc(c1)CNc2ccc(cc2)Br 34a_100000210018_100000716715 [0,2,0,0,0,0|0,0,0]=2 27509 B17R2.215 Cc1cncc(c1)CNc2ccc(cc2)Cl 207a_100000210052_100011998712 [0,2,0,0,0,0|0,0,0]=2 27510 B17R2.215 Cc1cncc(c1)CNc2ccc(cc2)Cl 2230a_100000210052_100000716715 [0,2,0,0,0,0|0,0,0]=2 27511 B17R2.215 Cc1cncc(c1)CNc2ccc(cc2)Cl 270302a_100000210052_100011998712 [0,2,0,0,0,0|0,0,0]=2 27512 B17R2.215 Cc1cncc(c1)CNc2ccc(cc2)Cl 34a_100000210052_100000716715 [0,2,0,0,0,0|0,0,0]=2 27513 B17R2.215 Cc1cncc(c1)CNc2ccc(cc2)F 207a_100000185862_100011998712 [0,2,0,0,0,0|0,0,0]=2 27514 B17R2.215 Cc1cncc(c1)CNc2ccc(cc2)F 270302a_100000185862_100011998712 [0,2,0,0,0,0|0,0,0]=2 27515 B17R2.215 Cc1cncc(c1)CNc2ccc(cc2)F 34a_100000185862_100000716715 [0,2,0,0,0,0|0,0,0]=2 27516 B17R2.215 Cc1cncc(c1)CNc2ccc(cc2)I 207a_100000185761_100011998712 [0,2,0,0,0,0|0,0,0]=2 27517 B17R2.215 Cc1cncc(c1)CNc2ccc(cc2)I 270302a_100000185761_100011998712 [0,2,0,0,0,0|0,0,0]=2 27518 B17R2.215 Cc1cncc(c1)CNc2ccc(cc2)I 34a_100000185761_100000716715 [0,2,0,0,0,0|0,0,0]=2 27519 B17R2.215 Cc1cncc(c1)CNc2ccc(cc2)O 270302a_100000185829_100011998712 [0,2,0,0,0,0|0,0,0]=2 27520 B17R2.215 Cc1cncc(c1)CNc2ccc(cc2)O 34a_100000185829_100000716715 [0,2,0,0,0,0|0,0,0]=2 27521 B17R2.215 Cc1cncc(c1)CNc2ccc(cn2)Br 27a_100000692839_100000686858 [0,2,0,0,0,0|1,0,0]=3 27522 B17R2.215 Cc1cncc(c1)CNc2ccc(nn2)C 27a_100000692839_100000744512 [0,2,0,0,0,0|2,0,0]=4 27523 B17R2.215 Cc1cncc(c1)CNc2cnc(cn2)Br 27a_100000692839_100010187541 [0,2,0,0,0,0|2,0,0]=4 27524 B17R2.215 Cc1cncc(c1)CNc2cnc(cn2)C 27a_100000692839_100000074397 [0,2,0,0,0,0|2,0,0]=4 27525 B17R2.215 Cc1cncc(c1)CNc2cnc(cn2)F 27a_100000692839_100009856528 [0,2,0,0,0,0|2,0,0]=4 27526 B17R2.215 Cc1cncc(c1)CNc2ncc(cn2)Br 27a_100000692839_100000690281 [0,2,0,0,0,0|2,0,0]=4 27527 B17R2.215 Cc1cncc(c1)CNc2ncc(cn2)Cl 27a_100000692839_100011356929 [0,2,0,0,0,0|2,0,0]=4 27528 B17R2.215 Cc1cncc(c1)CNc2ncc(cn2)F 27a_100000692839_100000685220 [0,2,0,0,0,0|2,0,0]=4 27529 B17R2.215 Cc1cncc(c1)COc2ccc(=O)[nH]c2 34a_100000075641_100000716715 [0,2,0,0,0,0|2,0,0]=4 27530 B17R2.215 Cc1cncc(c1)COc2ccc(cc2)Br 34a_100000185759_100000716715 [0,2,0,0,0,0|1,0,0]=3 27531 B17R2.215 Cc1cncc(c1)COc2ccc(cc2)Br 7a_100000185759_100000716715 [0,2,0,0,0,0|1,0,0]=3 27532 B17R2.215 Cc1cncc(c1)COc2ccc(cc2)Cl 34a_100000210216_100000716715 [0,2,0,0,0,0|1,0,0]=3 27533 B17R2.215 Cc1cncc(c1)COc2ccc(cc2)Cl 7a_100000210216_100000716715 [0,2,0,0,0,0|1,0,0]=3 27534 B17R2.215 Cc1cncc(c1)COc2ccc(cc2)F 34a_100000210339_100000716715 [0,2,0,0,0,0|1,0,0]=3 27535 B17R2.215 Cc1cncc(c1)COc2ccc(cc2)I 34a_100000212066_100000716715 [0,2,0,0,0,0|1,0,0]=3 27536 B17R2.215 Cc1cncc(c1)COc2ccc(cc2)I 7a_100000212066_100000716715 [0,2,0,0,0,0|1,0,0]=3 27537 B17R2.215 Cc1cncc(c1)COc2ccc(cc2)N 34a_100000185829_100000716715 [0,2,0,0,0,0|1,0,0]=3 27538 B17R2.215 Cc1cncc(c1)COc2ccc(cn2)Cl 34a_100011215309_100000716715 [0,2,0,0,0,0|2,0,0]=4 27539 B17R2.215 Cc1cncc(c1)COc2ccc(cn2)F 34a_100000742473_100000716715 [0,2,0,0,0,0|2,0,0]=4 27540 B17R2.215 Cc1cncc(c1)COc2ccc(cn2)N 34a_100000729260_100000716715 [0,2,0,0,0,0|2,0,0]=4 27541 B17R2.215 Cc1cncc(c1)COc2ccc(nc2)Br 34a_100000685995_100000716715 [0,2,0,0,0,0|2,0,0]=4 27542 B17R2.215 Cc1cncc(c1)COc2ccc(nc2)Br 7a_100000685995_100000716715 [0,2,0,0,0,0|2,0,0]=4 27543 B17R2.215 Cc1cncc(c1)COc2ccc(nc2)C 34a_100000745506_100000716715 [0,2,0,0,0,0|2,0,0]=4 27544 B17R2.215 Cc1cncc(c1)COc2ccc(nc2)C 7a_100000745506_100000716715 [0,2,0,0,0,0|2,0,0]=4 27545 B17R2.215 Cc1cncc(c1)COc2ccc(nc2)Cl 34a_100000744096_100000716715 [0,2,0,0,0,0|2,0,0]=4 27546 B17R2.215 Cc1cncc(c1)COc2ccc(nc2)Cl 7a_100000744096_100000716715 [0,2,0,0,0,0|2,0,0]=4 27547 B17R2.215 Cc1cncc(c1)COc2ccc(nc2)F 34a_100000688820_100000716715 [0,2,0,0,0,0|2,0,0]=4 27548 B17R2.215 Cc1cncc(c1)COc2ccc(nc2)F 7a_100000688820_100000716715 [0,2,0,0,0,0|2,0,0]=4 27549 B17R2.215 Cc1cncc(c1)COc2ccc(nc2)I 34a_100000687607_100000716715 [0,2,0,0,0,0|2,0,0]=4 27550 B17R2.215 Cc1cncc(c1)COc2ccc(nc2)I 7a_100000687607_100000716715 [0,2,0,0,0,0|2,0,0]=4 27551 B17R2.215 Cc1cncc(c1)COc2ccc(nc2)N 34a_100015188713_100000716715 [0,2,0,0,0,0|2,0,0]=4 27552 B17R2.215 Cc1cncc(c1)COc2ccc(nc2)N 7a_100015188713_100000716715 [0,2,0,0,0,0|2,0,0]=4 27553 B17R2.215 Cc1cncc(c1)CSc2cc[n+](cc2)[O-] 62a_100000716715_100000039755 [0,2,0,0,0,0|2,0,0]=4 27554 B17R2.215 Cc1cncc(c1)CSc2ccc(=O)[nH]c2 62a_100000212171_100000716715 [0,2,0,0,0,0|2,0,0]=4 27555 B17R2.215 Cc1cncc(c1)CSc2ccc(=O)[nH]c2 62a_100000716715_100000212171 [0,2,0,0,0,0|2,0,0]=4 27556 B17R2.215 Cc1cncc(c1)CSc2ccc(cc2)Br 62a_100000716715_100000752885 [0,2,0,0,0,0|1,0,0]=3 27557 B17R2.215 Cc1cncc(c1)CSc2ccc(cc2)Br 62a_100000752885_100000716715 [0,2,0,0,0,0|1,0,0]=3 27558 B17R2.215 Cc1cncc(c1)CSc2ccc(cc2)Cl 62a_100000716715_100000755918 [0,2,0,0,0,0|1,0,0]=3 27559 B17R2.215 Cc1cncc(c1)CSc2ccc(cc2)Cl 62a_100000755918_100000716715 [0,2,0,0,0,0|1,0,0]=3 27560 B17R2.215 Cc1cncc(c1)CSc2ccc(cc2)F 62a_100000211213_100000716715 [0,2,0,0,0,0|1,0,0]=3 27561 B17R2.215 Cc1cncc(c1)CSc2ccc(cc2)F 62a_100000716715_100000211213 [0,2,0,0,0,0|1,0,0]=3 27562 B17R2.215 Cc1cncc(c1)CSc2ccc(cc2)N 62a_100000185761_100000716715 [0,2,0,0,0,0|1,0,0]=3 27563 B17R2.215 Cc1cncc(c1)CSc2ccc(cc2)N 62a_100000716715_100000185761 [0,2,0,0,0,0|1,0,0]=3 27564 B17R2.215 Cc1cncc(c1)CSc2ccc(cc2)O 62a_100000716715_100000185759 [0,2,0,0,0,0|1,0,0]=3 27565 B17R2.215 Cc1cncc(c1)CSc2ccc(cn2)Br 62a_100000686858_100000716715 [0,2,0,0,0,0|2,0,0]=4 27566 B17R2.215 Cc1cncc(c1)CSc2ccc(cn2)Br 62a_100000716715_100000686858 [0,2,0,0,0,0|2,0,0]=4 27567 B17R2.215 Cc1cncc(c1)CSc2ccc(cn2)Cl 62a_100000716715_100011356976 [0,2,0,0,0,0|2,0,0]=4 27568 B17R2.215 Cc1cncc(c1)CSc2ccc(cn2)Cl 62a_100011356976_100000716715 [0,2,0,0,0,0|2,0,0]=4 27569 B17R2.215 Cc1cncc(c1)CSc2ccc(cn2)F 62a_100000716715_100000744514 [0,2,0,0,0,0|2,0,0]=4 27570 B17R2.215 Cc1cncc(c1)CSc2ccc(cn2)F 62a_100000744514_100000716715 [0,2,0,0,0,0|2,0,0]=4 27571 B17R2.215 Cc1cncc(c1)CSc2ccc(cn2)N 62a_100000716715_100000737798 [0,2,0,0,0,0|2,0,0]=4 27572 B17R2.215 Cc1cncc(c1)CSc2ccc(cn2)N 62a_100000737798_100000716715 [0,2,0,0,0,0|2,0,0]=4 27573 B17R2.215 Cc1cncc(c1)CSc2ccc(cn2)O 62a_100000685995_100000716715 [0,2,0,0,0,0|2,0,0]=4 27574 B17R2.215 Cc1cncc(c1)CSc2ccc(cn2)O 62a_100000716715_100000744096 [0,2,0,0,0,0|2,0,0]=4 27575 B17R2.215 Cc1cncc(c1)CSc2ccc(nc2)Br 62a_100000716715_100009814638 [0,2,0,0,0,0|2,0,0]=4 27576 B17R2.215 Cc1cncc(c1)CSc2ccc(nc2)Br 62a_100009814638_100000716715 [0,2,0,0,0,0|2,0,0]=4 27577 B17R2.215 Cc1cncc(c1)CSc2ccc(nc2)C 62a_100000716715_100000751577 [0,2,0,0,0,0|2,0,0]=4 27578 B17R2.215 Cc1cncc(c1)CSc2ccc(nc2)C 62a_100000751577_100000716715 [0,2,0,0,0,0|2,0,0]=4 27579 B17R2.215 Cc1cncc(c1)CSc2ccc(nc2)Cl 62a_100000034144_100000716715 [0,2,0,0,0,0|2,0,0]=4 27580 B17R2.215 Cc1cncc(c1)CSc2ccc(nc2)Cl 62a_100000716715_100000034144 [0,2,0,0,0,0|2,0,0]=4 27581 B17R2.215 Cc1cncc(c1)CSc2ccc(nc2)F 62a_100000042367_100000716715 [0,2,0,0,0,0|2,0,0]=4 27582 B17R2.215 Cc1cncc(c1)CSc2ccc(nc2)F 62a_100000716715_100000042367 [0,2,0,0,0,0|2,0,0]=4 27583 B17R2.215 Cc1cncc(c1)CSc2ccc(nc2)N 62a_100000187370_100000716715 [0,2,0,0,0,0|2,0,0]=4 27584 B17R2.215 Cc1cncc(c1)CSc2ccc(nc2)N 62a_100000716715_100000187370 [0,2,0,0,0,0|2,0,0]=4 27585 B17R2.215 Cc1cncc(c1)OCc2ccc(cc2)Br 34a_100011830280_100000189115 [0,2,0,0,0,0|2,0,0]=4 27586 B17R2.215 Cc1cncc(c1)OCc2ccc(cc2)Br 7a_100011830280_100011217064 [0,2,0,0,0,0|2,0,0]=4 27587 B17R2.215 Cc1cncc(c1)OCc2ccc(cc2)Cl 34a_100011830280_100000694040 [0,2,0,0,0,0|2,0,0]=4 27588 B17R2.215 Cc1cncc(c1)OCc2ccc(cc2)Cl 7a_100011830280_100000187161 [0,2,0,0,0,0|2,0,0]=4 27589 B17R2.215 Cc1cncc(c1)OCc2ccc(cc2)F 34a_100011830280_100000198546 [0,2,0,0,0,0|2,0,0]=4 27590 B17R2.215 Cc1cncc(c1)OCc2ccc(cc2)F 7a_100011830280_100000198546 [0,2,0,0,0,0|2,0,0]=4 27591 B17R2.215 Cc1cncc(c1)OCc2ccc(cc2)I 34a_100011830280_100000189116 [0,2,0,0,0,0|2,0,0]=4 27592 B17R2.215 Cc1cncc(c1)OCc2ccc(cc2)I 7a_100011830280_100000189116 [0,2,0,0,0,0|2,0,0]=4 27593 B17R2.215 Cc1cncc(c1)OCc2ccc(nc2)Br 34a_100011830280_100009831999 [0,2,0,0,0,0|2,0,0]=4 27594 B17R2.215 Cc1cncc(c1)OCc2ccc(nc2)Br 7a_100011830280_100009831999 [0,2,0,0,0,0|2,0,0]=4 27595 B17R2.215 Cc1cncc(c1)OCc2ccc(nc2)C 34a_100011830280_100016987292 [0,2,0,0,0,0|2,0,0]=4 27596 B17R2.215 Cc1cncc(c1)OCc2ccc(nc2)C 7a_100011830280_100016987292 [0,2,0,0,0,0|2,0,0]=4 27597 B17R2.215 Cc1cncc(c1)OCc2ccc(nc2)Cl 34a_100011830280_100000735431 [0,2,0,0,0,0|2,0,0]=4 27598 B17R2.215 Cc1cncc(c1)OCc2ccc(nc2)Cl 7a_100011830280_100000735431 [0,2,0,0,0,0|2,0,0]=4 27599 B17R2.215 Cc1cncc(c1)OCc2ccc(nc2)F 34a_100011830280_100000099788 [0,2,0,0,0,0|2,0,0]=4 27600 B17R2.215 Cc1cncc(c1)OCc2ccc(nc2)F 7a_100011830280_100009820150 [0,2,0,0,0,0|2,0,0]=4 27601 B17R2.215 Cc1cncc(c1)SCc2ccc(cc2)Br 62a_100000189115_100000760492 [0,2,0,0,0,0|2,0,0]=4 27602 B17R2.215 Cc1cncc(c1)SCc2ccc(cc2)Br 62a_100000760492_100000189115 [0,2,0,0,0,0|2,0,0]=4 27603 B17R2.215 Cc1cncc(c1)SCc2ccc(cc2)Cl 62a_100000187161_100000760492 [0,2,0,0,0,0|2,0,0]=4 27604 B17R2.215 Cc1cncc(c1)SCc2ccc(cc2)Cl 62a_100000760492_100000187161 [0,2,0,0,0,0|2,0,0]=4 27605 B17R2.215 Cc1cncc(c1)SCc2ccc(cc2)F 62a_100000198546_100000760492 [0,2,0,0,0,0|2,0,0]=4 27606 B17R2.215 Cc1cncc(c1)SCc2ccc(cc2)F 62a_100000760492_100000187164 [0,2,0,0,0,0|2,0,0]=4 27607 B17R2.215 Cc1cncc(c1)SCc2ccc(cc2)I 62a_100000189116_100000760492 [0,2,0,0,0,0|2,0,0]=4 27608 B17R2.215 Cc1cncc(c1)SCc2ccc(cc2)I 62a_100000760492_100000189116 [0,2,0,0,0,0|2,0,0]=4 27609 B17R2.215 Cc1cncc(c1)SCc2ccc(nc2)Br 62a_100000760492_100009831999 [0,2,0,0,0,0|2,0,0]=4 27610 B17R2.215 Cc1cncc(c1)SCc2ccc(nc2)Br 62a_100009831999_100000760492 [0,2,0,0,0,0|2,0,0]=4 27611 B17R2.215 Cc1cncc(c1)SCc2ccc(nc2)C 62a_100000760492_100016987292 [0,2,0,0,0,0|2,0,0]=4 27612 B17R2.215 Cc1cncc(c1)SCc2ccc(nc2)C 62a_100016987292_100000760492 [0,2,0,0,0,0|2,0,0]=4 27613 B17R2.215 Cc1cncc(c1)SCc2ccc(nc2)Cl 62a_100000735431_100000760492 [0,2,0,0,0,0|2,0,0]=4 27614 B17R2.215 Cc1cncc(c1)SCc2ccc(nc2)Cl 62a_100000760492_100000735431 [0,2,0,0,0,0|2,0,0]=4 27615 B17R2.215 Cc1cncc(c1)SCc2ccc(nc2)F 62a_100000760492_100000099788 [0,2,0,0,0,0|2,0,0]=4 27616 B17R2.215 Cc1cncc(c1)SCc2ccc(nc2)F 62a_100009820150_100000760492 [0,2,0,0,0,0|2,0,0]=4 27617 B17R2.215 Cc1cncc(n1)CNc2ccc(cc2)Br 207a_100000210018_100000100294 [0,2,0,0,0,0|1,0,0]=3 27618 B17R2.215 Cc1cncc(n1)CNc2ccc(cc2)Cl 207a_100000210052_100000100294 [0,2,0,0,0,0|1,0,0]=3 27619 B17R2.215 Cc1cncc(n1)CNc2ccc(cc2)F 207a_100000185862_100000100294 [0,2,0,0,0,0|1,0,0]=3 27620 B17R2.215 Cc1cncc(n1)CNc2ccc(cc2)I 207a_100000185761_100000100294 [0,2,0,0,0,0|1,0,0]=3 27621 B17R2.215 Cc1cncc(n1)NCc2ccc(nc2)Br 27a_100009817727_100000754123 [0,2,0,0,0,0|2,0,0]=4 27622 B17R2.215 Cc1cncc(n1)NCc2ccc(nc2)Cl 27a_100000735879_100000754123 [0,2,0,0,0,0|2,0,0]=4 27623 B17R2.215 Cc1cncc(n1)NCc2ccc(nc2)F 27a_100000101913_100000754123 [0,2,0,0,0,0|2,0,0]=4 27624 B17R2.215 Cc1cncc(n1)NCc2ccc(nc2)O 27a_100000757128_100000754123 [0,2,0,0,0,0|2,0,0]=4 27625 B17R2.215 Cc1cnnc(c1)NCc2ccc(nc2)Br 27a_100009817727_100000070100 [0,2,0,0,0,0|2,0,0]=4 27626 B17R2.215 Cc1cnnc(c1)NCc2ccc(nc2)C 27a_100000740942_100000070100 [0,2,0,0,0,0|2,0,0]=4 27627 B17R2.215 Cc1cnnc(c1)NCc2ccc(nc2)Cl 27a_100000735879_100000070100 [0,2,0,0,0,0|2,0,0]=4 27628 B17R2.215 Cc1cnnc(c1)NCc2ccc(nc2)F 27a_100000101913_100000070100 [0,2,0,0,0,0|2,0,0]=4 27629 B17R2.215 Cc1cnnc(c1)NCc2ccc(nc2)O 27a_100000757128_100000070100 [0,2,0,0,0,0|2,0,0]=4 27630 B17R2.215 Cc1nccc(n1)NCc2ccc(nc2)Br 27a_100009817727_100000749937 [0,2,0,0,0,0|2,0,0]=4 27631 B17R2.215 Cc1nccc(n1)NCc2ccc(nc2)Cl 27a_100000735879_100000749937 [0,2,0,0,0,0|2,0,0]=4 27632 B17R2.215 Cc1nccc(n1)NCc2ccc(nc2)F 27a_100000101913_100000749937 [0,2,0,0,0,0|2,0,0]=4 27633 B17R2.215 Cc1nccc(n1)NCc2ccc(nc2)O 27a_100000757128_100000749937 [0,2,0,0,0,0|2,0,0]=4 27634 B17R2.215 Clc1cc(ccn1)CNc2ccc(cc2)Br 2230a_100000210018_100000764220 [0,2,0,0,0,0|2,0,0]=4 27635 B17R2.215 Clc1cc(ccn1)CNc2ccc(cc2)Br 34a_100000210018_100000764220 [0,2,0,0,0,0|2,0,0]=4 27636 B17R2.215 Clc1cc(ccn1)CNc2ccc(cc2)I 34a_100000185761_100000764220 [0,2,0,0,0,0|2,0,0]=4 27637 B17R2.215 Clc1cc(ccn1)OCc2ccc(nc2)Br 34a_100000762945_100009831999 [0,2,0,0,0,0|2,0,0]=4 27638 B17R2.215 Clc1cc(ccn1)SCc2ccc(nc2)Br 62a_100000035001_100009831999 [0,2,0,0,0,0|2,0,0]=4 27639 B17R2.215 Clc1cc(ccn1)SCc2ccc(nc2)Br 62a_100009831999_100000035001 [0,2,0,0,0,0|2,0,0]=4 27640 B17R2.215 Clc1ccc(cc1)C=Cc2cncc(c2)Br 271570a_100102527930_100000728054 [0,2,0,0,0,0|1,0,1]=4 27641 B17R2.215 Clc1ccc(cc1)C=Cc2cncc(c2)Cl 271570a_100102527930_100000049639 [0,2,0,0,0,0|1,0,1]=4 27642 B17R2.215 Clc1ccc(cc1)CNc2cccc(c2)Br 207a_100000210019_100000189385 [0,2,0,0,0,0|1,0,0]=3 27643 B17R2.215 Clc1ccc(cc1)CNc2cccc(c2)Br 270302a_100000210019_100000189385 [0,2,0,0,0,0|1,0,0]=3 27644 B17R2.215 Clc1ccc(cc1)CNc2cccc(c2)Br 34a_100000210019_100000694040 [0,2,0,0,0,0|1,0,0]=3 27645 B17R2.215 Clc1ccc(cc1)CNc2cccc(c2)Cl 207a_100000185859_100000189385 [0,2,0,0,0,0|1,0,0]=3 27646 B17R2.215 Clc1ccc(cc1)CNc2cccc(c2)Cl 270302a_100000185859_100000189385 [0,2,0,0,0,0|1,0,0]=3 27647 B17R2.215 Clc1ccc(cc1)CNc2cccc(c2)Cl 34a_100000185859_100000694040 [0,2,0,0,0,0|1,0,0]=3 27648 B17R2.215 Clc1ccc(cc1)CNc2cccc(c2)I 207a_100000211102_100000189385 [0,2,0,0,0,0|1,0,0]=3 27649 B17R2.215 Clc1ccc(cc1)CNc2cccc(c2)I 270302a_100000211102_100000189385 [0,2,0,0,0,0|1,0,0]=3 27650 B17R2.215 Clc1ccc(cc1)CNc2cccc(c2)I 34a_100000211102_100000694040 [0,2,0,0,0,0|1,0,0]=3 27651 B17R2.215 Clc1ccc(cc1)COc2cccc(c2)Br 34a_100000210342_100000694040 [0,2,0,0,0,0|2,0,0]=4 27652 B17R2.215 Clc1ccc(cc1)COc2cccc(c2)Br 7a_100000210342_100000187161 [0,2,0,0,0,0|2,0,0]=4 27653 B17R2.215 Clc1ccc(cc1)COc2cccc(c2)Cl 34a_100000210295_100000694040 [0,2,0,0,0,0|2,0,0]=4 27654 B17R2.215 Clc1ccc(cc1)COc2cccc(c2)Cl 7a_100000210295_100000187161 [0,2,0,0,0,0|2,0,0]=4 27655 B17R2.215 Clc1ccc(cc1)COc2cccc(c2)I 34a_100000211634_100000694040 [0,2,0,0,0,0|2,0,0]=4 27656 B17R2.215 Clc1ccc(cc1)COc2cccc(c2)I 7a_100000211634_100000187161 [0,2,0,0,0,0|2,0,0]=4 27657 B17R2.215 Clc1ccc(cc1)COc2cncc(c2)Br 34a_100000754920_100000694040 [0,2,0,0,0,0|2,0,0]=4 27658 B17R2.215 Clc1ccc(cc1)COc2cncc(c2)Br 7a_100000754920_100000187161 [0,2,0,0,0,0|2,0,0]=4 27659 B17R2.215 Clc1ccc(cc1)COc2cncc(c2)Cl 7a_100000032511_100000187161 [0,2,0,0,0,0|2,0,0]=4 27660 B17R2.215 Clc1ccc(cc1)CSc2cccc(c2)Br 62a_100000187161_100000691529 [0,2,0,0,0,0|2,0,0]=4 27661 B17R2.215 Clc1ccc(cc1)CSc2cccc(c2)Br 62a_100000691529_100000187161 [0,2,0,0,0,0|2,0,0]=4 27662 B17R2.215 Clc1ccc(cc1)CSc2cccc(c2)Cl 62a_100000187161_100000699651 [0,2,0,0,0,0|2,0,0]=4 27663 B17R2.215 Clc1ccc(cc1)CSc2cccc(c2)Cl 62a_100000699651_100000187161 [0,2,0,0,0,0|2,0,0]=4 27664 B17R2.215 Clc1ccc(cc1)CSc2cncc(c2)Br 62a_100000187161_100000728054 [0,2,0,0,0,0|2,0,0]=4 27665 B17R2.215 Clc1ccc(cc1)CSc2cncc(c2)Br 62a_100000728054_100000187161 [0,2,0,0,0,0|2,0,0]=4 27666 B17R2.215 Clc1ccc(cc1)CSc2cncc(c2)Cl 62a_100000049639_100000187161 [0,2,0,0,0,0|2,0,0]=4 27667 B17R2.215 Clc1ccc(cc1)CSc2cncc(c2)Cl 62a_100000187161_100000049639 [0,2,0,0,0,0|2,0,0]=4 27668 B17R2.215 Clc1ccc(cc1)NCc2cc(ccn2)Br 2230a_100000210052_100010173614 [0,2,0,0,0,0|2,0,0]=4 27669 B17R2.215 Clc1ccc(cc1)NCc2cc(ccn2)Br 34a_100000210052_100010173614 [0,2,0,0,0,0|2,0,0]=4 27670 B17R2.215 Clc1ccc(cc1)NCc2cc(ccn2)Cl 2230a_100000210052_100016988179 [0,2,0,0,0,0|2,0,0]=4 27671 B17R2.215 Clc1ccc(cc1)NCc2cc(ccn2)Cl 34a_100000210052_100016988179 [0,2,0,0,0,0|2,0,0]=4 27672 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)Br 207a_100000210052_100000210085 [0,2,0,0,0,0|1,0,0]=3 27673 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)Br 2230a_100000210052_100000698116 [0,2,0,0,0,0|1,0,0]=3 27674 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)Br 270302a_100000210052_100000210085 [0,2,0,0,0,0|1,0,0]=3 27675 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)Br 34a_100000210052_100000698116 [0,2,0,0,0,0|1,0,0]=3 27676 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)Cl 207a_100000210052_100000210801 [0,2,0,0,0,0|1,0,0]=3 27677 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)Cl 2230a_100000210052_100000181238 [0,2,0,0,0,0|1,0,0]=3 27678 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)Cl 270302a_100000210052_100000210801 [0,2,0,0,0,0|1,0,0]=3 27679 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)Cl 34a_100000210052_100000187163 [0,2,0,0,0,0|1,0,0]=3 27680 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)I 207a_100000210052_100000014684 [0,2,0,0,0,0|1,0,0]=3 27681 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)I 2230a_100000210052_100011218688 [0,2,0,0,0,0|1,0,0]=3 27682 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)I 270302a_100000210052_100000014684 [0,2,0,0,0,0|1,0,0]=3 27683 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)I 34a_100000210052_100011218688 [0,2,0,0,0,0|1,0,0]=3 27684 B17R2.215 Clc1ccc(cc1)NCc2cccc(n2)Br 2230a_100000210052_100009889011 [0,2,0,0,0,0|2,0,0]=4 27685 B17R2.215 Clc1ccc(cc1)NCc2cccc(n2)Br 34a_100000210052_100009889011 [0,2,0,0,0,0|2,0,0]=4 27686 B17R2.215 Clc1ccc(cc1)NCc2cccc(n2)Cl 2230a_100000210052_100000086093 [0,2,0,0,0,0|2,0,0]=4 27687 B17R2.215 Clc1ccc(cc1)NCc2cccc(n2)Cl 34a_100000210052_100000086093 [0,2,0,0,0,0|2,0,0]=4 27688 B17R2.215 Clc1ccc(cc1)NCc2ccnc(c2)Br 2230a_100000210052_100010243470 [0,2,0,0,0,0|2,0,0]=4 27689 B17R2.215 Clc1ccc(cc1)NCc2ccnc(c2)Br 34a_100000210052_100010243470 [0,2,0,0,0,0|2,0,0]=4 27690 B17R2.215 Clc1ccc(cc1)NCc2ccnc(c2)Cl 2230a_100000210052_100000764220 [0,2,0,0,0,0|2,0,0]=4 27691 B17R2.215 Clc1ccc(cc1)NCc2ccnc(c2)Cl 34a_100000210052_100000764220 [0,2,0,0,0,0|2,0,0]=4 27692 B17R2.215 Clc1ccc(cc1)NCc2cncc(c2)Br 207a_100000210052_100000687066 [0,2,0,0,0,0|0,0,0]=2 27693 B17R2.215 Clc1ccc(cc1)NCc2cncc(c2)Br 2230a_100000210052_100000738771 [0,2,0,0,0,0|0,0,0]=2 27694 B17R2.215 Clc1ccc(cc1)NCc2cncc(c2)Br 270302a_100000210052_100000687066 [0,2,0,0,0,0|0,0,0]=2 27695 B17R2.215 Clc1ccc(cc1)NCc2cncc(c2)Br 34a_100000210052_100000738771 [0,2,0,0,0,0|0,0,0]=2 27696 B17R2.215 Clc1ccc(cc1)NCc2cncc(c2)Cl 207a_100000210052_100000088910 [0,2,0,0,0,0|0,0,0]=2 27697 B17R2.215 Clc1ccc(cc1)NCc2cncc(c2)Cl 2230a_100000210052_100016992070 [0,2,0,0,0,0|0,0,0]=2 27698 B17R2.215 Clc1ccc(cc1)NCc2cncc(c2)Cl 270302a_100000210052_100000088910 [0,2,0,0,0,0|0,0,0]=2 27699 B17R2.215 Clc1ccc(cc1)NCc2cncc(c2)Cl 34a_100000210052_100016992070 [0,2,0,0,0,0|0,0,0]=2 27700 B17R2.215 Clc1ccc(cc1)OCc2cccc(c2)Br 34a_100000210216_100000698116 [0,2,0,0,0,0|2,0,0]=4 27701 B17R2.215 Clc1ccc(cc1)OCc2cccc(c2)Br 7a_100000210216_100000211773 [0,2,0,0,0,0|2,0,0]=4 27702 B17R2.215 Clc1ccc(cc1)OCc2cccc(c2)Cl 34a_100000210216_100000187163 [0,2,0,0,0,0|2,0,0]=4 27703 B17R2.215 Clc1ccc(cc1)OCc2cccc(c2)Cl 7a_100000210216_100000187163 [0,2,0,0,0,0|2,0,0]=4 27704 B17R2.215 Clc1ccc(cc1)OCc2cccc(c2)I 34a_100000210216_100011218688 [0,2,0,0,0,0|2,0,0]=4 27705 B17R2.215 Clc1ccc(cc1)OCc2cccc(c2)I 7a_100000210216_100011218688 [0,2,0,0,0,0|2,0,0]=4 27706 B17R2.215 Clc1ccc(cc1)OCc2cncc(c2)Br 34a_100000210216_100000738771 [0,2,0,0,0,0|1,0,0]=3 27707 B17R2.215 Clc1ccc(cc1)OCc2cncc(c2)Br 7a_100000210216_100000738771 [0,2,0,0,0,0|1,0,0]=3 27708 B17R2.215 Clc1ccc(cc1)OCc2cncc(c2)Cl 34a_100000210216_100016992070 [0,2,0,0,0,0|1,0,0]=3 27709 B17R2.215 Clc1ccc(cc1)OCc2cncc(c2)Cl 7a_100000210216_100016992070 [0,2,0,0,0,0|1,0,0]=3 27710 B17R2.215 Clc1ccc(cc1)SCc2cccc(c2)Br 62a_100000211773_100000755918 [0,2,0,0,0,0|2,0,0]=4 27711 B17R2.215 Clc1ccc(cc1)SCc2cccc(c2)Br 62a_100000755918_100000211773 [0,2,0,0,0,0|2,0,0]=4 27712 B17R2.215 Clc1ccc(cc1)SCc2cccc(c2)Cl 62a_100000187163_100000755918 [0,2,0,0,0,0|2,0,0]=4 27713 B17R2.215 Clc1ccc(cc1)SCc2cccc(c2)Cl 62a_100000755918_100000187163 [0,2,0,0,0,0|2,0,0]=4 27714 B17R2.215 Clc1ccc(cc1)SCc2cccc(c2)I 62a_100000755918_100011218688 [0,2,0,0,0,0|2,0,0]=4 27715 B17R2.215 Clc1ccc(cc1)SCc2cccc(c2)I 62a_100011218688_100000755918 [0,2,0,0,0,0|2,0,0]=4 27716 B17R2.215 Clc1ccc(cc1)SCc2cncc(c2)Br 62a_100000738771_100000755918 [0,2,0,0,0,0|1,0,0]=3 27717 B17R2.215 Clc1ccc(cc1)SCc2cncc(c2)Br 62a_100000755918_100000738771 [0,2,0,0,0,0|1,0,0]=3 27718 B17R2.215 Clc1ccc(cc1)SCc2cncc(c2)Cl 62a_100000755918_100016992070 [0,2,0,0,0,0|1,0,0]=3 27719 B17R2.215 Clc1ccc(cc1)SCc2cncc(c2)Cl 62a_100016992070_100000755918 [0,2,0,0,0,0|1,0,0]=3 27720 B17R2.215 Clc1ccc(cn1)CNc2cccc(c2)Br 270302a_100000210019_100000766901 [0,2,0,0,0,0|0,0,0]=2 27721 B17R2.215 Clc1ccc(cn1)CNc2cccc(c2)Br 34a_100000210019_100000735431 [0,2,0,0,0,0|0,0,0]=2 27722 B17R2.215 Clc1ccc(cn1)CNc2cccc(c2)I 270302a_100000211102_100000766901 [0,2,0,0,0,0|0,0,0]=2 27723 B17R2.215 Clc1ccc(cn1)CNc2cccc(c2)I 34a_100000211102_100000735431 [0,2,0,0,0,0|0,0,0]=2 27724 B17R2.215 Clc1ccc(cn1)CNc2cncc(n2)Cl 27a_100000735879_100010892449 [0,2,0,0,0,0|2,0,0]=4 27725 B17R2.215 Clc1ccc(cn1)COc2cccc(c2)Br 34a_100000210342_100000735431 [0,2,0,0,0,0|1,0,0]=3 27726 B17R2.215 Clc1ccc(cn1)COc2cccc(c2)Br 7a_100000210342_100000735431 [0,2,0,0,0,0|1,0,0]=3 27727 B17R2.215 Clc1ccc(cn1)COc2cccc(c2)I 34a_100000211634_100000735431 [0,2,0,0,0,0|1,0,0]=3 27728 B17R2.215 Clc1ccc(cn1)COc2cccc(c2)I 7a_100000211634_100000735431 [0,2,0,0,0,0|1,0,0]=3 27729 B17R2.215 Clc1ccc(cn1)COc2ccnc(c2)Cl 34a_100000762945_100000735431 [0,2,0,0,0,0|2,0,0]=4 27730 B17R2.215 Clc1ccc(cn1)COc2cncc(c2)Br 34a_100000754920_100000735431 [0,2,0,0,0,0|2,0,0]=4 27731 B17R2.215 Clc1ccc(cn1)COc2cncc(c2)Br 7a_100000754920_100000735431 [0,2,0,0,0,0|2,0,0]=4 27732 B17R2.215 Clc1ccc(cn1)CSc2cccc(c2)Br 62a_100000691529_100000735431 [0,2,0,0,0,0|1,0,0]=3 27733 B17R2.215 Clc1ccc(cn1)CSc2cccc(c2)Br 62a_100000735431_100000691529 [0,2,0,0,0,0|1,0,0]=3 27734 B17R2.215 Clc1ccc(cn1)CSc2cccc(n2)Br 62a_100000684672_100000735431 [0,2,0,0,0,0|2,0,0]=4 27735 B17R2.215 Clc1ccc(cn1)CSc2cccc(n2)Br 62a_100000735431_100000684672 [0,2,0,0,0,0|2,0,0]=4 27736 B17R2.215 Clc1ccc(cn1)CSc2cccc(n2)Cl 62a_100000051397_100000735431 [0,2,0,0,0,0|2,0,0]=4 27737 B17R2.215 Clc1ccc(cn1)CSc2cccc(n2)Cl 62a_100000735431_100000051397 [0,2,0,0,0,0|2,0,0]=4 27738 B17R2.215 Clc1ccc(cn1)CSc2ccnc(c2)Br 62a_100000735431_100009814637 [0,2,0,0,0,0|2,0,0]=4 27739 B17R2.215 Clc1ccc(cn1)CSc2ccnc(c2)Br 62a_100009814637_100000735431 [0,2,0,0,0,0|2,0,0]=4 27740 B17R2.215 Clc1ccc(cn1)CSc2ccnc(c2)Cl 62a_100000035001_100000735431 [0,2,0,0,0,0|2,0,0]=4 27741 B17R2.215 Clc1ccc(cn1)CSc2ccnc(c2)Cl 62a_100000735431_100000035001 [0,2,0,0,0,0|2,0,0]=4 27742 B17R2.215 Clc1ccc(cn1)CSc2cncc(c2)Br 62a_100000728054_100000735431 [0,2,0,0,0,0|2,0,0]=4 27743 B17R2.215 Clc1ccc(cn1)CSc2cncc(c2)Br 62a_100000735431_100000728054 [0,2,0,0,0,0|2,0,0]=4 27744 B17R2.215 Clc1ccc(cn1)OCc2cccc(c2)Br 34a_100000744096_100000698116 [0,2,0,0,0,0|2,0,0]=4 27745 B17R2.215 Clc1ccc(cn1)OCc2cccc(c2)Br 7a_100000744096_100000211773 [0,2,0,0,0,0|2,0,0]=4 27746 B17R2.215 Clc1ccc(cn1)OCc2cccc(c2)I 34a_100000744096_100011218688 [0,2,0,0,0,0|2,0,0]=4 27747 B17R2.215 Clc1ccc(cn1)OCc2cccc(c2)I 7a_100000744096_100011218688 [0,2,0,0,0,0|2,0,0]=4 27748 B17R2.215 Clc1ccc(cn1)OCc2cncc(c2)Br 34a_100000744096_100000738771 [0,2,0,0,0,0|2,0,0]=4 27749 B17R2.215 Clc1ccc(cn1)OCc2cncc(c2)Br 7a_100000744096_100000738771 [0,2,0,0,0,0|2,0,0]=4 27750 B17R2.215 Clc1ccc(cn1)SCc2cccc(c2)Br 62a_100000034144_100000211773 [0,2,0,0,0,0|2,0,0]=4 27751 B17R2.215 Clc1ccc(cn1)SCc2cccc(c2)Br 62a_100000211773_100000034144 [0,2,0,0,0,0|2,0,0]=4 27752 B17R2.215 Clc1ccc(cn1)SCc2cccc(c2)I 62a_100000034144_100011218688 [0,2,0,0,0,0|2,0,0]=4 27753 B17R2.215 Clc1ccc(cn1)SCc2cccc(c2)I 62a_100011218688_100000034144 [0,2,0,0,0,0|2,0,0]=4 27754 B17R2.215 Clc1ccc(cn1)SCc2cncc(c2)Br 62a_100000034144_100000738771 [0,2,0,0,0,0|2,0,0]=4 27755 B17R2.215 Clc1ccc(cn1)SCc2cncc(c2)Br 62a_100000738771_100000034144 [0,2,0,0,0,0|2,0,0]=4 27756 B17R2.215 Clc1ccc(nc1)CNc2cccc(c2)Br 207a_100000210019_100011361569 [0,2,0,0,0,0|2,0,0]=4 27757 B17R2.215 Clc1ccc(nc1)CNc2cccc(c2)Br 270302a_100000210019_100011361569 [0,2,0,0,0,0|2,0,0]=4 27758 B17R2.215 Clc1ccc(nc1)CNc2cccc(c2)Br 34a_100000210019_100012066911 [0,2,0,0,0,0|2,0,0]=4 27759 B17R2.215 Clc1ccc(nc1)CNc2cccc(c2)Cl 207a_100000185859_100011361569 [0,2,0,0,0,0|2,0,0]=4 27760 B17R2.215 Clc1ccc(nc1)CNc2cccc(c2)Cl 270302a_100000185859_100011361569 [0,2,0,0,0,0|2,0,0]=4 27761 B17R2.215 Clc1ccc(nc1)CNc2cccc(c2)Cl 34a_100000185859_100012066911 [0,2,0,0,0,0|2,0,0]=4 27762 B17R2.215 Clc1ccc(nc1)CNc2cccc(c2)I 207a_100000211102_100011361569 [0,2,0,0,0,0|2,0,0]=4 27763 B17R2.215 Clc1ccc(nc1)CNc2cccc(c2)I 270302a_100000211102_100011361569 [0,2,0,0,0,0|2,0,0]=4 27764 B17R2.215 Clc1ccc(nc1)CNc2cccc(c2)I 34a_100000211102_100012066911 [0,2,0,0,0,0|2,0,0]=4 27765 B17R2.215 Clc1ccc(nc1)OCc2cncc(c2)Br 34a_100011215309_100000738771 [0,2,0,0,0,0|2,0,0]=4 27766 B17R2.215 Clc1ccc(nc1)OCc2cncc(c2)Cl 34a_100011215309_100016992070 [0,2,0,0,0,0|2,0,0]=4 27767 B17R2.215 Clc1ccc(nc1)SCc2cncc(c2)Br 62a_100000738771_100011356976 [0,2,0,0,0,0|2,0,0]=4 27768 B17R2.215 Clc1ccc(nc1)SCc2cncc(c2)Br 62a_100011356976_100000738771 [0,2,0,0,0,0|2,0,0]=4 27769 B17R2.215 Clc1ccc(nc1)SCc2cncc(c2)Cl 62a_100011356976_100016992070 [0,2,0,0,0,0|2,0,0]=4 27770 B17R2.215 Clc1ccc(nc1)SCc2cncc(c2)Cl 62a_100016992070_100011356976 [0,2,0,0,0,0|2,0,0]=4 27771 B17R2.215 Clc1ccc(nn1)CNc2cccc(c2)Br 34a_100000210019_100016992710 [0,2,0,0,0,0|1,0,0]=3 27772 B17R2.215 Clc1ccc(nn1)CNc2cccc(c2)I 34a_100000211102_100016992710 [0,2,0,0,0,0|1,0,0]=3 27773 B17R2.215 Clc1ccc(nn1)COc2cccc(c2)Br 34a_100000210342_100016992710 [0,2,0,0,0,0|2,0,0]=4 27774 B17R2.215 Clc1ccc(nn1)COc2cccc(c2)Br 7a_100000210342_100016992710 [0,2,0,0,0,0|2,0,0]=4 27775 B17R2.215 Clc1ccc(nn1)COc2cccc(c2)I 34a_100000211634_100016992710 [0,2,0,0,0,0|2,0,0]=4 27776 B17R2.215 Clc1ccc(nn1)COc2cccc(c2)I 7a_100000211634_100016992710 [0,2,0,0,0,0|2,0,0]=4 27777 B17R2.215 Clc1ccc(nn1)CSc2cccc(c2)Br 62a_100000691529_100016992710 [0,2,0,0,0,0|2,0,0]=4 27778 B17R2.215 Clc1ccc(nn1)CSc2cccc(c2)Br 62a_100016992710_100000691529 [0,2,0,0,0,0|2,0,0]=4 27779 B17R2.215 Clc1cccc(c1)C=Cc2ccc(nc2)Br 271570a_100102525933_100009814638 [0,2,0,0,0,0|1,0,1]=4 27780 B17R2.215 Clc1cccc(c1)C=Cc2ccc(nc2)Cl 271570a_100102525933_100000034144 [0,2,0,0,0,0|1,0,1]=4 27781 B17R2.215 Clc1cccc(c1)CNc2ccc(cc2)Br 207a_100000210018_100000210801 [0,2,0,0,0,0|1,0,0]=3 27782 B17R2.215 Clc1cccc(c1)CNc2ccc(cc2)Br 2230a_100000210018_100000181238 [0,2,0,0,0,0|1,0,0]=3 27783 B17R2.215 Clc1cccc(c1)CNc2ccc(cc2)Br 270302a_100000210018_100000210801 [0,2,0,0,0,0|1,0,0]=3 27784 B17R2.215 Clc1cccc(c1)CNc2ccc(cc2)Br 34a_100000210018_100000187163 [0,2,0,0,0,0|1,0,0]=3 27785 B17R2.215 Clc1cccc(c1)CNc2ccc(cc2)I 207a_100000185761_100000210801 [0,2,0,0,0,0|1,0,0]=3 27786 B17R2.215 Clc1cccc(c1)CNc2ccc(cc2)I 270302a_100000185761_100000210801 [0,2,0,0,0,0|1,0,0]=3 27787 B17R2.215 Clc1cccc(c1)CNc2ccc(cc2)I 34a_100000185761_100000187163 [0,2,0,0,0,0|1,0,0]=3 27788 B17R2.215 Clc1cccc(c1)CNc2ccc(cn2)Br 27a_100000174878_100000686858 [0,2,0,0,0,0|2,0,0]=4 27789 B17R2.215 Clc1cccc(c1)COc2ccc(cc2)Br 34a_100000185759_100000187163 [0,2,0,0,0,0|2,0,0]=4 27790 B17R2.215 Clc1cccc(c1)COc2ccc(cc2)Br 7a_100000185759_100000187163 [0,2,0,0,0,0|2,0,0]=4 27791 B17R2.215 Clc1cccc(c1)COc2ccc(cc2)I 34a_100000212066_100000187163 [0,2,0,0,0,0|2,0,0]=4 27792 B17R2.215 Clc1cccc(c1)COc2ccc(cc2)I 7a_100000212066_100000187163 [0,2,0,0,0,0|2,0,0]=4 27793 B17R2.215 Clc1cccc(c1)COc2ccc(nc2)Br 34a_100000685995_100000187163 [0,2,0,0,0,0|2,0,0]=4 27794 B17R2.215 Clc1cccc(c1)COc2ccc(nc2)Br 7a_100000685995_100000187163 [0,2,0,0,0,0|2,0,0]=4 27795 B17R2.215 Clc1cccc(c1)COc2ccc(nc2)Cl 34a_100000744096_100000187163 [0,2,0,0,0,0|2,0,0]=4 27796 B17R2.215 Clc1cccc(c1)COc2ccc(nc2)Cl 7a_100000744096_100000187163 [0,2,0,0,0,0|2,0,0]=4 27797 B17R2.215 Clc1cccc(c1)COc2ccc(nc2)I 34a_100000687607_100000187163 [0,2,0,0,0,0|2,0,0]=4 27798 B17R2.215 Clc1cccc(c1)COc2ccc(nc2)I 7a_100000687607_100000187163 [0,2,0,0,0,0|2,0,0]=4 27799 B17R2.215 Clc1cccc(c1)CSc2ccc(cc2)Br 62a_100000187163_100000752885 [0,2,0,0,0,0|2,0,0]=4 27800 B17R2.215 Clc1cccc(c1)CSc2ccc(cc2)Br 62a_100000752885_100000187163 [0,2,0,0,0,0|2,0,0]=4 27801 B17R2.215 Clc1cccc(c1)CSc2ccc(nc2)Br 62a_100000187163_100009814638 [0,2,0,0,0,0|2,0,0]=4 27802 B17R2.215 Clc1cccc(c1)CSc2ccc(nc2)Br 62a_100009814638_100000187163 [0,2,0,0,0,0|2,0,0]=4 27803 B17R2.215 Clc1cccc(c1)CSc2ccc(nc2)Cl 62a_100000034144_100000187163 [0,2,0,0,0,0|2,0,0]=4 27804 B17R2.215 Clc1cccc(c1)CSc2ccc(nc2)Cl 62a_100000187163_100000034144 [0,2,0,0,0,0|2,0,0]=4 27805 B17R2.215 Clc1cccc(c1)NCc2ccc(cc2)Br 207a_100000185859_100000186029 [0,2,0,0,0,0|1,0,0]=3 27806 B17R2.215 Clc1cccc(c1)NCc2ccc(cc2)Br 270302a_100000185859_100000186029 [0,2,0,0,0,0|1,0,0]=3 27807 B17R2.215 Clc1cccc(c1)NCc2ccc(cc2)Br 34a_100000185859_100000189115 [0,2,0,0,0,0|1,0,0]=3 27808 B17R2.215 Clc1cccc(c1)NCc2ccc(cc2)I 207a_100000185859_100000188517 [0,2,0,0,0,0|1,0,0]=3 27809 B17R2.215 Clc1cccc(c1)NCc2ccc(cc2)I 270302a_100000185859_100000188517 [0,2,0,0,0,0|1,0,0]=3 27810 B17R2.215 Clc1cccc(c1)NCc2ccc(cc2)I 34a_100000185859_100000189116 [0,2,0,0,0,0|1,0,0]=3 27811 B17R2.215 Clc1cccc(c1)NCc2ccc(cn2)Br 207a_100000185859_100000754260 [0,2,0,0,0,0|2,0,0]=4 27812 B17R2.215 Clc1cccc(c1)NCc2ccc(cn2)Br 270302a_100000185859_100000754260 [0,2,0,0,0,0|2,0,0]=4 27813 B17R2.215 Clc1cccc(c1)NCc2ccc(cn2)Br 34a_100000185859_100000702658 [0,2,0,0,0,0|2,0,0]=4 27814 B17R2.215 Clc1cccc(c1)NCc2ccc(nc2)Br 34a_100000185859_100009831999 [0,2,0,0,0,0|0,0,0]=2 27815 B17R2.215 Clc1cccc(c1)NCc2ccc(nc2)Cl 270302a_100000185859_100000766901 [0,2,0,0,0,0|0,0,0]=2 27816 B17R2.215 Clc1cccc(c1)NCc2ccc(nc2)Cl 34a_100000185859_100000735431 [0,2,0,0,0,0|0,0,0]=2 27817 B17R2.215 Clc1cccc(c1)NCc2ccc(nn2)Cl 34a_100000185859_100016992710 [0,2,0,0,0,0|1,0,0]=3 27818 B17R2.215 Clc1cccc(c1)OCc2ccc(cc2)Br 34a_100000210295_100000189115 [0,2,0,0,0,0|2,0,0]=4 27819 B17R2.215 Clc1cccc(c1)OCc2ccc(cc2)Br 7a_100000210295_100011217064 [0,2,0,0,0,0|2,0,0]=4 27820 B17R2.215 Clc1cccc(c1)OCc2ccc(cc2)I 34a_100000210295_100000189116 [0,2,0,0,0,0|2,0,0]=4 27821 B17R2.215 Clc1cccc(c1)OCc2ccc(cc2)I 7a_100000210295_100000189116 [0,2,0,0,0,0|2,0,0]=4 27822 B17R2.215 Clc1cccc(c1)OCc2ccc(nc2)Br 34a_100000210295_100009831999 [0,2,0,0,0,0|1,0,0]=3 27823 B17R2.215 Clc1cccc(c1)OCc2ccc(nc2)Br 7a_100000210295_100009831999 [0,2,0,0,0,0|1,0,0]=3 27824 B17R2.215 Clc1cccc(c1)OCc2ccc(nc2)Cl 34a_100000210295_100000735431 [0,2,0,0,0,0|1,0,0]=3 27825 B17R2.215 Clc1cccc(c1)OCc2ccc(nc2)Cl 7a_100000210295_100000735431 [0,2,0,0,0,0|1,0,0]=3 27826 B17R2.215 Clc1cccc(c1)OCc2ccc(nn2)Cl 34a_100000210295_100016992710 [0,2,0,0,0,0|2,0,0]=4 27827 B17R2.215 Clc1cccc(c1)OCc2ccc(nn2)Cl 7a_100000210295_100016992710 [0,2,0,0,0,0|2,0,0]=4 27828 B17R2.215 Clc1cccc(c1)SCc2ccc(cc2)Br 62a_100000189115_100000699651 [0,2,0,0,0,0|2,0,0]=4 27829 B17R2.215 Clc1cccc(c1)SCc2ccc(cc2)Br 62a_100000699651_100000189115 [0,2,0,0,0,0|2,0,0]=4 27830 B17R2.215 Clc1cccc(c1)SCc2ccc(cc2)I 62a_100000189116_100000699651 [0,2,0,0,0,0|2,0,0]=4 27831 B17R2.215 Clc1cccc(c1)SCc2ccc(cc2)I 62a_100000699651_100000189116 [0,2,0,0,0,0|2,0,0]=4 27832 B17R2.215 Clc1cccc(c1)SCc2ccc(nc2)Br 62a_100000699651_100009831999 [0,2,0,0,0,0|1,0,0]=3 27833 B17R2.215 Clc1cccc(c1)SCc2ccc(nc2)Br 62a_100009831999_100000699651 [0,2,0,0,0,0|1,0,0]=3 27834 B17R2.215 Clc1cccc(c1)SCc2ccc(nc2)Cl 62a_100000699651_100000735431 [0,2,0,0,0,0|1,0,0]=3 27835 B17R2.215 Clc1cccc(c1)SCc2ccc(nc2)Cl 62a_100000735431_100000699651 [0,2,0,0,0,0|1,0,0]=3 27836 B17R2.215 Clc1cccc(c1)SCc2ccc(nn2)Cl 62a_100000699651_100016992710 [0,2,0,0,0,0|2,0,0]=4 27837 B17R2.215 Clc1cccc(c1)SCc2ccc(nn2)Cl 62a_100016992710_100000699651 [0,2,0,0,0,0|2,0,0]=4 27838 B17R2.215 Clc1cccc(n1)CNc2ccc(cc2)Br 2230a_100000210018_100000086093 [0,2,0,0,0,0|2,0,0]=4 27839 B17R2.215 Clc1cccc(n1)CNc2ccc(cc2)Br 34a_100000210018_100000086093 [0,2,0,0,0,0|2,0,0]=4 27840 B17R2.215 Clc1cccc(n1)CNc2ccc(cc2)I 34a_100000185761_100000086093 [0,2,0,0,0,0|2,0,0]=4 27841 B17R2.215 Clc1cccc(n1)SCc2ccc(nc2)Br 62a_100000051397_100009831999 [0,2,0,0,0,0|2,0,0]=4 27842 B17R2.215 Clc1cccc(n1)SCc2ccc(nc2)Br 62a_100009831999_100000051397 [0,2,0,0,0,0|2,0,0]=4 27843 B17R2.215 Clc1ccnc(c1)CNc2ccc(cc2)Br 2230a_100000210018_100016988179 [0,2,0,0,0,0|2,0,0]=4 27844 B17R2.215 Clc1ccnc(c1)CNc2ccc(cc2)Br 34a_100000210018_100016988179 [0,2,0,0,0,0|2,0,0]=4 27845 B17R2.215 Clc1ccnc(c1)CNc2ccc(cc2)I 34a_100000185761_100016988179 [0,2,0,0,0,0|2,0,0]=4 27846 B17R2.215 Clc1ccnc(c1)SCc2ccc(nc2)Br 62a_100009831999_100010167805 [0,2,0,0,0,0|2,0,0]=4 27847 B17R2.215 Clc1ccnc(c1)SCc2ccc(nc2)Br 62a_100010167805_100009831999 [0,2,0,0,0,0|2,0,0]=4 27848 B17R2.215 Clc1ccnc(c1)SCc2ccc(nc2)Cl 62a_100000735431_100010167805 [0,2,0,0,0,0|2,0,0]=4 27849 B17R2.215 Clc1ccnc(c1)SCc2ccc(nc2)Cl 62a_100010167805_100000735431 [0,2,0,0,0,0|2,0,0]=4 27850 B17R2.215 Clc1cnc(nc1)NCc2cncc(c2)Br 27a_100011249555_100011356929 [0,2,0,0,0,0|2,0,0]=4 27851 B17R2.215 Clc1cnc(nc1)NCc2cncc(c2)Cl 27a_200020614424_100011356929 [0,2,0,0,0,0|2,0,0]=4 27852 B17R2.215 Clc1cncc(c1)C=Cc2ccc(cc2)Br 271570a_100102527914_100000049639 [0,2,0,0,0,0|1,0,1]=4 27853 B17R2.215 Clc1cncc(c1)CNc2ccc(cc2)Br 207a_100000210018_100000088910 [0,2,0,0,0,0|0,0,0]=2 27854 B17R2.215 Clc1cncc(c1)CNc2ccc(cc2)Br 2230a_100000210018_100016992070 [0,2,0,0,0,0|0,0,0]=2 27855 B17R2.215 Clc1cncc(c1)CNc2ccc(cc2)Br 270302a_100000210018_100000088910 [0,2,0,0,0,0|0,0,0]=2 27856 B17R2.215 Clc1cncc(c1)CNc2ccc(cc2)Br 34a_100000210018_100016992070 [0,2,0,0,0,0|0,0,0]=2 27857 B17R2.215 Clc1cncc(c1)CNc2ccc(cc2)I 207a_100000185761_100000088910 [0,2,0,0,0,0|0,0,0]=2 27858 B17R2.215 Clc1cncc(c1)CNc2ccc(cc2)I 270302a_100000185761_100000088910 [0,2,0,0,0,0|0,0,0]=2 27859 B17R2.215 Clc1cncc(c1)CNc2ccc(cc2)I 34a_100000185761_100016992070 [0,2,0,0,0,0|0,0,0]=2 27860 B17R2.215 Clc1cncc(c1)CNc2ccc(cn2)Br 27a_200020614424_100000686858 [0,2,0,0,0,0|1,0,0]=3 27861 B17R2.215 Clc1cncc(c1)CNc2cnc(cn2)Br 27a_200020614424_100010187541 [0,2,0,0,0,0|2,0,0]=4 27862 B17R2.215 Clc1cncc(c1)CNc2ncc(cn2)Br 27a_200020614424_100000690281 [0,2,0,0,0,0|2,0,0]=4 27863 B17R2.215 Clc1cncc(c1)COc2ccc(cc2)Br 34a_100000185759_100016992070 [0,2,0,0,0,0|1,0,0]=3 27864 B17R2.215 Clc1cncc(c1)COc2ccc(cc2)Br 7a_100000185759_100016992070 [0,2,0,0,0,0|1,0,0]=3 27865 B17R2.215 Clc1cncc(c1)COc2ccc(cc2)I 34a_100000212066_100016992070 [0,2,0,0,0,0|1,0,0]=3 27866 B17R2.215 Clc1cncc(c1)COc2ccc(cc2)I 7a_100000212066_100016992070 [0,2,0,0,0,0|1,0,0]=3 27867 B17R2.215 Clc1cncc(c1)COc2ccc(nc2)Br 34a_100000685995_100016992070 [0,2,0,0,0,0|2,0,0]=4 27868 B17R2.215 Clc1cncc(c1)COc2ccc(nc2)Br 7a_100000685995_100016992070 [0,2,0,0,0,0|2,0,0]=4 27869 B17R2.215 Clc1cncc(c1)COc2ccc(nc2)Cl 34a_100000744096_100016992070 [0,2,0,0,0,0|2,0,0]=4 27870 B17R2.215 Clc1cncc(c1)COc2ccc(nc2)Cl 7a_100000744096_100016992070 [0,2,0,0,0,0|2,0,0]=4 27871 B17R2.215 Clc1cncc(c1)COc2ccc(nc2)I 34a_100000687607_100016992070 [0,2,0,0,0,0|2,0,0]=4 27872 B17R2.215 Clc1cncc(c1)COc2ccc(nc2)I 7a_100000687607_100016992070 [0,2,0,0,0,0|2,0,0]=4 27873 B17R2.215 Clc1cncc(c1)CSc2ccc(cc2)Br 62a_100000752885_100016992070 [0,2,0,0,0,0|1,0,0]=3 27874 B17R2.215 Clc1cncc(c1)CSc2ccc(cc2)Br 62a_100016992070_100000752885 [0,2,0,0,0,0|1,0,0]=3 27875 B17R2.215 Clc1cncc(c1)CSc2ccc(cn2)Br 62a_100000686858_100016992070 [0,2,0,0,0,0|2,0,0]=4 27876 B17R2.215 Clc1cncc(c1)CSc2ccc(cn2)Br 62a_100016992070_100000686858 [0,2,0,0,0,0|2,0,0]=4 27877 B17R2.215 Clc1cncc(c1)CSc2ccc(nc2)Br 62a_100009814638_100016992070 [0,2,0,0,0,0|2,0,0]=4 27878 B17R2.215 Clc1cncc(c1)CSc2ccc(nc2)Br 62a_100016992070_100009814638 [0,2,0,0,0,0|2,0,0]=4 27879 B17R2.215 Clc1cncc(c1)CSc2ccc(nc2)Cl 62a_100000034144_100016992070 [0,2,0,0,0,0|2,0,0]=4 27880 B17R2.215 Clc1cncc(c1)CSc2ccc(nc2)Cl 62a_100016992070_100000034144 [0,2,0,0,0,0|2,0,0]=4 27881 B17R2.215 Clc1cncc(c1)OCc2ccc(cc2)Br 7a_100000032511_100011217064 [0,2,0,0,0,0|2,0,0]=4 27882 B17R2.215 Clc1cncc(c1)OCc2ccc(cc2)I 7a_100000032511_100000189116 [0,2,0,0,0,0|2,0,0]=4 27883 B17R2.215 Clc1cncc(c1)OCc2ccc(nc2)Br 7a_100000032511_100009831999 [0,2,0,0,0,0|2,0,0]=4 27884 B17R2.215 Clc1cncc(c1)OCc2ccc(nc2)Cl 7a_100000032511_100000735431 [0,2,0,0,0,0|2,0,0]=4 27885 B17R2.215 Clc1cncc(c1)SCc2ccc(cc2)Br 62a_100000049639_100000189115 [0,2,0,0,0,0|2,0,0]=4 27886 B17R2.215 Clc1cncc(c1)SCc2ccc(cc2)Br 62a_100000189115_100000049639 [0,2,0,0,0,0|2,0,0]=4 27887 B17R2.215 Clc1cncc(c1)SCc2ccc(cc2)I 62a_100000049639_100000189116 [0,2,0,0,0,0|2,0,0]=4 27888 B17R2.215 Clc1cncc(c1)SCc2ccc(cc2)I 62a_100000189116_100000049639 [0,2,0,0,0,0|2,0,0]=4 27889 B17R2.215 Clc1cncc(c1)SCc2ccc(nc2)Br 62a_100000049639_100009831999 [0,2,0,0,0,0|2,0,0]=4 27890 B17R2.215 Clc1cncc(c1)SCc2ccc(nc2)Br 62a_100009831999_100000049639 [0,2,0,0,0,0|2,0,0]=4 27891 B17R2.215 Clc1cncc(c1)SCc2ccc(nc2)Cl 62a_100000049639_100000735431 [0,2,0,0,0,0|2,0,0]=4 27892 B17R2.215 Clc1cncc(c1)SCc2ccc(nc2)Cl 62a_100000735431_100000049639 [0,2,0,0,0,0|2,0,0]=4 27893 B17R2.215 Clc1cncc(n1)NCc2ccc(nc2)Br 27a_100009817727_100010892449 [0,2,0,0,0,0|2,0,0]=4 27894 B17R2.215 Fc1cc(ccn1)NCc2ccc(cc2)Br 27a_100000174875_100009816116 [0,2,0,0,0,0|2,0,0]=4 27895 B17R2.215 Fc1cc(ccn1)NCc2ccc(cc2)Cl 27a_100000174871_100009816116 [0,2,0,0,0,0|2,0,0]=4 27896 B17R2.215 Fc1cc(ccn1)NCc2ccc(cc2)I 27a_100016989417_100009816116 [0,2,0,0,0,0|2,0,0]=4 27897 B17R2.215 Fc1cc(ccn1)NCc2ccc(nc2)Br 27a_100009817727_100009816116 [0,2,0,0,0,0|1,0,0]=3 27898 B17R2.215 Fc1cc(ccn1)NCc2ccc(nc2)Cl 27a_100000735879_100009816116 [0,2,0,0,0,0|1,0,0]=3 27899 B17R2.215 Fc1cc(ccn1)OCc2ccc(nc2)Br 34a_100000732698_100009831999 [0,2,0,0,0,0|2,0,0]=4 27900 B17R2.215 Fc1cc(ccn1)OCc2ccc(nc2)Cl 34a_100000732698_100000735431 [0,2,0,0,0,0|2,0,0]=4 27901 B17R2.215 Fc1cc(ccn1)SCc2ccc(nc2)Br 62a_100009816116_100009831999 [0,2,0,0,0,0|2,0,0]=4 27902 B17R2.215 Fc1cc(ccn1)SCc2ccc(nc2)Br 62a_100009831999_100009816116 [0,2,0,0,0,0|2,0,0]=4 27903 B17R2.215 Fc1cc(ccn1)SCc2ccc(nc2)Cl 62a_100000735431_100009816116 [0,2,0,0,0,0|2,0,0]=4 27904 B17R2.215 Fc1cc(ccn1)SCc2ccc(nc2)Cl 62a_100009816116_100000735431 [0,2,0,0,0,0|2,0,0]=4 27905 B17R2.215 Fc1cc(ncn1)NCc2ccc(nc2)Br 27a_100009817727_200009880791 [0,2,0,0,0,0|2,0,0]=4 27906 B17R2.215 Fc1cc(ncn1)NCc2ccc(nc2)Cl 27a_100000735879_200009880791 [0,2,0,0,0,0|2,0,0]=4 27907 B17R2.215 Fc1ccc(cc1)C=Cc2cncc(c2)Br 271570a_100102525539_100000728054 [0,2,0,0,0,0|1,0,1]=4 27908 B17R2.215 Fc1ccc(cc1)C=Cc2cncc(c2)Cl 271570a_100102525539_100000049639 [0,2,0,0,0,0|1,0,1]=4 27909 B17R2.215 Fc1ccc(cc1)C=Cc2cncc(c2)F 271570a_100102525539_100000744099 [0,2,0,0,0,0|1,0,1]=4 27910 B17R2.215 Fc1ccc(cc1)CNc2cc(ccn2)F 27a_100000174882_100000764206 [0,2,0,0,0,0|2,0,0]=4 27911 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)Br 207a_100000210019_100000210084 [0,2,0,0,0,0|1,0,0]=3 27912 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)Br 270302a_100000210019_100000210084 [0,2,0,0,0,0|1,0,0]=3 27913 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)Br 34a_100000210019_100000198546 [0,2,0,0,0,0|1,0,0]=3 27914 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)Cl 207a_100000185859_100000210084 [0,2,0,0,0,0|1,0,0]=3 27915 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)Cl 270302a_100000185859_100000210084 [0,2,0,0,0,0|1,0,0]=3 27916 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)Cl 34a_100000185859_100000198546 [0,2,0,0,0,0|1,0,0]=3 27917 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)F 207a_100000210047_100000210084 [0,2,0,0,0,0|1,0,0]=3 27918 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)F 270302a_100000210047_100000210084 [0,2,0,0,0,0|1,0,0]=3 27919 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)F 34a_100000210047_100000198546 [0,2,0,0,0,0|1,0,0]=3 27920 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)I 207a_100000211102_100000210084 [0,2,0,0,0,0|1,0,0]=3 27921 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)I 270302a_100000211102_100000210084 [0,2,0,0,0,0|1,0,0]=3 27922 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)I 34a_100000211102_100000198546 [0,2,0,0,0,0|1,0,0]=3 27923 B17R2.215 Fc1ccc(cc1)CNc2cccc(n2)F 27a_100000174882_100009815982 [0,2,0,0,0,0|2,0,0]=4 27924 B17R2.215 Fc1ccc(cc1)CNc2ccnc(c2)F 27a_100000174882_100009816116 [0,2,0,0,0,0|2,0,0]=4 27925 B17R2.215 Fc1ccc(cc1)COc2cccc(c2)Br 34a_100000210342_100000198546 [0,2,0,0,0,0|2,0,0]=4 27926 B17R2.215 Fc1ccc(cc1)COc2cccc(c2)Br 7a_100000210342_100000198546 [0,2,0,0,0,0|2,0,0]=4 27927 B17R2.215 Fc1ccc(cc1)COc2cccc(c2)Cl 34a_100000210295_100000198546 [0,2,0,0,0,0|2,0,0]=4 27928 B17R2.215 Fc1ccc(cc1)COc2cccc(c2)Cl 7a_100000210295_100000198546 [0,2,0,0,0,0|2,0,0]=4 27929 B17R2.215 Fc1ccc(cc1)COc2cccc(c2)F 34a_100000210426_100000198546 [0,2,0,0,0,0|2,0,0]=4 27930 B17R2.215 Fc1ccc(cc1)COc2cccc(c2)F 7a_100000210426_100000198546 [0,2,0,0,0,0|2,0,0]=4 27931 B17R2.215 Fc1ccc(cc1)COc2cccc(c2)I 34a_100000211634_100000198546 [0,2,0,0,0,0|2,0,0]=4 27932 B17R2.215 Fc1ccc(cc1)COc2cccc(c2)I 7a_100000211634_100000198546 [0,2,0,0,0,0|2,0,0]=4 27933 B17R2.215 Fc1ccc(cc1)COc2cncc(c2)Br 34a_100000754920_100000198546 [0,2,0,0,0,0|2,0,0]=4 27934 B17R2.215 Fc1ccc(cc1)COc2cncc(c2)Br 7a_100000754920_100000198546 [0,2,0,0,0,0|2,0,0]=4 27935 B17R2.215 Fc1ccc(cc1)COc2cncc(c2)Cl 7a_100000032511_100000198546 [0,2,0,0,0,0|2,0,0]=4 27936 B17R2.215 Fc1ccc(cc1)COc2cncc(c2)F 34a_100011830296_100000198546 [0,2,0,0,0,0|2,0,0]=4 27937 B17R2.215 Fc1ccc(cc1)COc2cncc(c2)F 7a_100011830296_100000198546 [0,2,0,0,0,0|2,0,0]=4 27938 B17R2.215 Fc1ccc(cc1)CSc2cccc(c2)Br 62a_100000198546_100000691529 [0,2,0,0,0,0|2,0,0]=4 27939 B17R2.215 Fc1ccc(cc1)CSc2cccc(c2)Br 62a_100000691529_100000187164 [0,2,0,0,0,0|2,0,0]=4 27940 B17R2.215 Fc1ccc(cc1)CSc2cccc(c2)Cl 62a_100000198546_100000699651 [0,2,0,0,0,0|2,0,0]=4 27941 B17R2.215 Fc1ccc(cc1)CSc2cccc(c2)Cl 62a_100000699651_100000187164 [0,2,0,0,0,0|2,0,0]=4 27942 B17R2.215 Fc1ccc(cc1)CSc2cccc(c2)F 62a_100000198546_100000685547 [0,2,0,0,0,0|2,0,0]=4 27943 B17R2.215 Fc1ccc(cc1)CSc2cccc(c2)F 62a_100000685547_100000187164 [0,2,0,0,0,0|2,0,0]=4 27944 B17R2.215 Fc1ccc(cc1)CSc2cccc(c2)[S] 62a_100000198546_114929384022 [0,2,0,0,0,0|2,0,0]=4 27945 B17R2.215 Fc1ccc(cc1)CSc2cccc(c2)[S] 62a_114929384022_100000187164 [0,2,0,0,0,0|2,0,0]=4 27946 B17R2.215 Fc1ccc(cc1)CSc2cncc(c2)Br 62a_100000198546_100000728054 [0,2,0,0,0,0|2,0,0]=4 27947 B17R2.215 Fc1ccc(cc1)CSc2cncc(c2)Br 62a_100000728054_100000187164 [0,2,0,0,0,0|2,0,0]=4 27948 B17R2.215 Fc1ccc(cc1)CSc2cncc(c2)Cl 62a_100000049639_100000187164 [0,2,0,0,0,0|2,0,0]=4 27949 B17R2.215 Fc1ccc(cc1)CSc2cncc(c2)Cl 62a_100000198546_100000049639 [0,2,0,0,0,0|2,0,0]=4 27950 B17R2.215 Fc1ccc(cc1)CSc2cncc(c2)F 62a_100000198546_100000744099 [0,2,0,0,0,0|2,0,0]=4 27951 B17R2.215 Fc1ccc(cc1)CSc2cncc(c2)F 62a_100000744099_100000187164 [0,2,0,0,0,0|2,0,0]=4 27952 B17R2.215 Fc1ccc(cc1)NCc2cc(ccn2)Br 34a_100000185862_100010173614 [0,2,0,0,0,0|2,0,0]=4 27953 B17R2.215 Fc1ccc(cc1)NCc2cc(ccn2)Cl 34a_100000185862_100016988179 [0,2,0,0,0,0|2,0,0]=4 27954 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)Br 207a_100000185862_100000210085 [0,2,0,0,0,0|1,0,0]=3 27955 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)Br 270302a_100000185862_100000210085 [0,2,0,0,0,0|1,0,0]=3 27956 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)Br 34a_100000185862_100000698116 [0,2,0,0,0,0|1,0,0]=3 27957 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)Cl 207a_100000185862_100000210801 [0,2,0,0,0,0|1,0,0]=3 27958 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)Cl 270302a_100000185862_100000210801 [0,2,0,0,0,0|1,0,0]=3 27959 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)Cl 34a_100000185862_100000187163 [0,2,0,0,0,0|1,0,0]=3 27960 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)F 207a_100000185862_100000210812 [0,2,0,0,0,0|1,0,0]=3 27961 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)F 270302a_100000185862_100000210812 [0,2,0,0,0,0|1,0,0]=3 27962 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)F 34a_100000185862_100000187166 [0,2,0,0,0,0|1,0,0]=3 27963 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)I 207a_100000185862_100000014684 [0,2,0,0,0,0|1,0,0]=3 27964 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)I 270302a_100000185862_100000014684 [0,2,0,0,0,0|1,0,0]=3 27965 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)I 34a_100000185862_100011218688 [0,2,0,0,0,0|1,0,0]=3 27966 B17R2.215 Fc1ccc(cc1)NCc2cccc(n2)Br 34a_100000185862_100009889011 [0,2,0,0,0,0|2,0,0]=4 27967 B17R2.215 Fc1ccc(cc1)NCc2cccc(n2)Cl 34a_100000185862_100000086093 [0,2,0,0,0,0|2,0,0]=4 27968 B17R2.215 Fc1ccc(cc1)NCc2cccc(n2)F 34a_100000185862_100009819644 [0,2,0,0,0,0|2,0,0]=4 27969 B17R2.215 Fc1ccc(cc1)NCc2ccnc(c2)Br 34a_100000185862_100010243470 [0,2,0,0,0,0|2,0,0]=4 27970 B17R2.215 Fc1ccc(cc1)NCc2ccnc(c2)Cl 34a_100000185862_100000764220 [0,2,0,0,0,0|2,0,0]=4 27971 B17R2.215 Fc1ccc(cc1)NCc2cncc(c2)Br 207a_100000185862_100000687066 [0,2,0,0,0,0|0,0,0]=2 27972 B17R2.215 Fc1ccc(cc1)NCc2cncc(c2)Br 270302a_100000185862_100000687066 [0,2,0,0,0,0|0,0,0]=2 27973 B17R2.215 Fc1ccc(cc1)NCc2cncc(c2)Br 34a_100000185862_100000738771 [0,2,0,0,0,0|0,0,0]=2 27974 B17R2.215 Fc1ccc(cc1)NCc2cncc(c2)Cl 207a_100000185862_100000088910 [0,2,0,0,0,0|0,0,0]=2 27975 B17R2.215 Fc1ccc(cc1)NCc2cncc(c2)Cl 270302a_100000185862_100000088910 [0,2,0,0,0,0|0,0,0]=2 27976 B17R2.215 Fc1ccc(cc1)NCc2cncc(c2)Cl 34a_100000185862_100016992070 [0,2,0,0,0,0|0,0,0]=2 27977 B17R2.215 Fc1ccc(cc1)NCc2cncc(c2)F 207a_100000185862_100011361476 [0,2,0,0,0,0|0,0,0]=2 27978 B17R2.215 Fc1ccc(cc1)NCc2cncc(c2)F 270302a_100000185862_100011361476 [0,2,0,0,0,0|0,0,0]=2 27979 B17R2.215 Fc1ccc(cc1)NCc2cncc(c2)F 34a_100000185862_100000725299 [0,2,0,0,0,0|0,0,0]=2 27980 B17R2.215 Fc1ccc(cc1)OCc2cccc(c2)Br 34a_100000210339_100000698116 [0,2,0,0,0,0|2,0,0]=4 27981 B17R2.215 Fc1ccc(cc1)OCc2cccc(c2)Cl 34a_100000210339_100000187163 [0,2,0,0,0,0|2,0,0]=4 27982 B17R2.215 Fc1ccc(cc1)OCc2cccc(c2)F 34a_100000210339_100000187166 [0,2,0,0,0,0|2,0,0]=4 27983 B17R2.215 Fc1ccc(cc1)OCc2cccc(c2)I 34a_100000210339_100011218688 [0,2,0,0,0,0|2,0,0]=4 27984 B17R2.215 Fc1ccc(cc1)OCc2cncc(c2)Br 34a_100000210339_100000738771 [0,2,0,0,0,0|1,0,0]=3 27985 B17R2.215 Fc1ccc(cc1)OCc2cncc(c2)Cl 34a_100000210339_100016992070 [0,2,0,0,0,0|1,0,0]=3 27986 B17R2.215 Fc1ccc(cc1)OCc2cncc(c2)F 34a_100000210339_100000725299 [0,2,0,0,0,0|1,0,0]=3 27987 B17R2.215 Fc1ccc(cc1)SCc2cccc(c2)Br 62a_100000211213_100000211773 [0,2,0,0,0,0|2,0,0]=4 27988 B17R2.215 Fc1ccc(cc1)SCc2cccc(c2)Br 62a_100000211773_100000211213 [0,2,0,0,0,0|2,0,0]=4 27989 B17R2.215 Fc1ccc(cc1)SCc2cccc(c2)Cl 62a_100000187163_100000211213 [0,2,0,0,0,0|2,0,0]=4 27990 B17R2.215 Fc1ccc(cc1)SCc2cccc(c2)Cl 62a_100000211213_100000187163 [0,2,0,0,0,0|2,0,0]=4 27991 B17R2.215 Fc1ccc(cc1)SCc2cccc(c2)F 62a_100000211213_100000230114 [0,2,0,0,0,0|2,0,0]=4 27992 B17R2.215 Fc1ccc(cc1)SCc2cccc(c2)F 62a_100000230114_100000211213 [0,2,0,0,0,0|2,0,0]=4 27993 B17R2.215 Fc1ccc(cc1)SCc2cccc(c2)I 62a_100000211213_100011218688 [0,2,0,0,0,0|2,0,0]=4 27994 B17R2.215 Fc1ccc(cc1)SCc2cccc(c2)I 62a_100011218688_100000211213 [0,2,0,0,0,0|2,0,0]=4 27995 B17R2.215 Fc1ccc(cc1)SCc2cncc(c2)Br 62a_100000211213_100000738771 [0,2,0,0,0,0|1,0,0]=3 27996 B17R2.215 Fc1ccc(cc1)SCc2cncc(c2)Br 62a_100000738771_100000211213 [0,2,0,0,0,0|1,0,0]=3 27997 B17R2.215 Fc1ccc(cc1)SCc2cncc(c2)Cl 62a_100000211213_100016992070 [0,2,0,0,0,0|1,0,0]=3 27998 B17R2.215 Fc1ccc(cc1)SCc2cncc(c2)Cl 62a_100016992070_100000211213 [0,2,0,0,0,0|1,0,0]=3 27999 B17R2.215 Fc1ccc(cc1)SCc2cncc(c2)F 62a_100000211213_100000725299 [0,2,0,0,0,0|1,0,0]=3 28000 B17R2.215 Fc1ccc(cc1)SCc2cncc(c2)F 62a_100000725299_100000211213 [0,2,0,0,0,0|1,0,0]=3 28001 B17R2.215 Fc1ccc(cn1)C=Cc2cccc(c2)Cl 271570a_100102525933_100000748661 [0,2,0,0,0,0|1,0,1]=4 28002 B17R2.215 Fc1ccc(cn1)CNc2cc(ncn2)F 27a_100000101913_200009880791 [0,2,0,0,0,0|2,0,0]=4 28003 B17R2.215 Fc1ccc(cn1)CNc2cccc(c2)Br 270302a_100000210019_100000068566 [0,2,0,0,0,0|0,0,0]=2 28004 B17R2.215 Fc1ccc(cn1)CNc2cccc(c2)Br 34a_100000210019_100000099788 [0,2,0,0,0,0|0,0,0]=2 28005 B17R2.215 Fc1ccc(cn1)CNc2cccc(c2)Cl 270302a_100000185859_100000068566 [0,2,0,0,0,0|0,0,0]=2 28006 B17R2.215 Fc1ccc(cn1)CNc2cccc(c2)Cl 34a_100000185859_100000099788 [0,2,0,0,0,0|0,0,0]=2 28007 B17R2.215 Fc1ccc(cn1)CNc2cccc(c2)I 270302a_100000211102_100000068566 [0,2,0,0,0,0|0,0,0]=2 28008 B17R2.215 Fc1ccc(cn1)CNc2cccc(c2)I 34a_100000211102_100000099788 [0,2,0,0,0,0|0,0,0]=2 28009 B17R2.215 Fc1ccc(cn1)CNc2cccc(n2)F 27a_100000101913_100009815982 [0,2,0,0,0,0|1,0,0]=3 28010 B17R2.215 Fc1ccc(cn1)CNc2ccnc(c2)F 27a_100000101913_100009816116 [0,2,0,0,0,0|1,0,0]=3 28011 B17R2.215 Fc1ccc(cn1)CNc2cncc(n2)Cl 27a_100000101913_100010892449 [0,2,0,0,0,0|2,0,0]=4 28012 B17R2.215 Fc1ccc(cn1)CNc2cncc(n2)F 27a_100000101913_200009863489 [0,2,0,0,0,0|2,0,0]=4 28013 B17R2.215 Fc1ccc(cn1)COc2cccc(c2)Br 34a_100000210342_100000099788 [0,2,0,0,0,0|1,0,0]=3 28014 B17R2.215 Fc1ccc(cn1)COc2cccc(c2)Br 7a_100000210342_100009820150 [0,2,0,0,0,0|1,0,0]=3 28015 B17R2.215 Fc1ccc(cn1)COc2cccc(c2)Cl 34a_100000210295_100000099788 [0,2,0,0,0,0|1,0,0]=3 28016 B17R2.215 Fc1ccc(cn1)COc2cccc(c2)Cl 7a_100000210295_100009820150 [0,2,0,0,0,0|1,0,0]=3 28017 B17R2.215 Fc1ccc(cn1)COc2cccc(c2)I 34a_100000211634_100000099788 [0,2,0,0,0,0|1,0,0]=3 28018 B17R2.215 Fc1ccc(cn1)COc2cccc(c2)I 7a_100000211634_100009820150 [0,2,0,0,0,0|1,0,0]=3 28019 B17R2.215 Fc1ccc(cn1)COc2cccc(n2)F 34a_100011432558_100000099788 [0,2,0,0,0,0|2,0,0]=4 28020 B17R2.215 Fc1ccc(cn1)COc2ccnc(c2)Cl 34a_100000762945_100000099788 [0,2,0,0,0,0|2,0,0]=4 28021 B17R2.215 Fc1ccc(cn1)COc2ccnc(c2)F 34a_100000732698_100000099788 [0,2,0,0,0,0|2,0,0]=4 28022 B17R2.215 Fc1ccc(cn1)COc2cncc(c2)Br 34a_100000754920_100000099788 [0,2,0,0,0,0|2,0,0]=4 28023 B17R2.215 Fc1ccc(cn1)COc2cncc(c2)Br 7a_100000754920_100009820150 [0,2,0,0,0,0|2,0,0]=4 28024 B17R2.215 Fc1ccc(cn1)COc2cncc(c2)Cl 7a_100000032511_100009820150 [0,2,0,0,0,0|2,0,0]=4 28025 B17R2.215 Fc1ccc(cn1)CSc2cc(ccn2)Cl 62a_100009820150_100010167805 [0,2,0,0,0,0|2,0,0]=4 28026 B17R2.215 Fc1ccc(cn1)CSc2cc(ccn2)Cl 62a_100010167805_100000099788 [0,2,0,0,0,0|2,0,0]=4 28027 B17R2.215 Fc1ccc(cn1)CSc2cccc(c2)Br 62a_100000691529_100000099788 [0,2,0,0,0,0|1,0,0]=3 28028 B17R2.215 Fc1ccc(cn1)CSc2cccc(c2)Br 62a_100009820150_100000691529 [0,2,0,0,0,0|1,0,0]=3 28029 B17R2.215 Fc1ccc(cn1)CSc2cccc(c2)Cl 62a_100000699651_100000099788 [0,2,0,0,0,0|1,0,0]=3 28030 B17R2.215 Fc1ccc(cn1)CSc2cccc(c2)Cl 62a_100009820150_100000699651 [0,2,0,0,0,0|1,0,0]=3 28031 B17R2.215 Fc1ccc(cn1)CSc2cccc(c2)[S] 62a_100009820150_114929384022 [0,2,0,0,0,0|1,0,0]=3 28032 B17R2.215 Fc1ccc(cn1)CSc2cccc(c2)[S] 62a_114929384022_100000099788 [0,2,0,0,0,0|1,0,0]=3 28033 B17R2.215 Fc1ccc(cn1)CSc2cccc(n2)Br 62a_100000684672_100000099788 [0,2,0,0,0,0|2,0,0]=4 28034 B17R2.215 Fc1ccc(cn1)CSc2cccc(n2)Br 62a_100009820150_100000684672 [0,2,0,0,0,0|2,0,0]=4 28035 B17R2.215 Fc1ccc(cn1)CSc2cccc(n2)Cl 62a_100000051397_100000099788 [0,2,0,0,0,0|2,0,0]=4 28036 B17R2.215 Fc1ccc(cn1)CSc2cccc(n2)Cl 62a_100009820150_100000051397 [0,2,0,0,0,0|2,0,0]=4 28037 B17R2.215 Fc1ccc(cn1)CSc2cccc(n2)F 62a_100009815982_100000099788 [0,2,0,0,0,0|2,0,0]=4 28038 B17R2.215 Fc1ccc(cn1)CSc2cccc(n2)F 62a_100009820150_100009815982 [0,2,0,0,0,0|2,0,0]=4 28039 B17R2.215 Fc1ccc(cn1)CSc2ccnc(c2)Br 62a_100009814637_100000099788 [0,2,0,0,0,0|2,0,0]=4 28040 B17R2.215 Fc1ccc(cn1)CSc2ccnc(c2)Br 62a_100009820150_100009814637 [0,2,0,0,0,0|2,0,0]=4 28041 B17R2.215 Fc1ccc(cn1)CSc2ccnc(c2)Cl 62a_100000035001_100000099788 [0,2,0,0,0,0|2,0,0]=4 28042 B17R2.215 Fc1ccc(cn1)CSc2ccnc(c2)Cl 62a_100009820150_100000035001 [0,2,0,0,0,0|2,0,0]=4 28043 B17R2.215 Fc1ccc(cn1)CSc2ccnc(c2)F 62a_100009816116_100000099788 [0,2,0,0,0,0|2,0,0]=4 28044 B17R2.215 Fc1ccc(cn1)CSc2ccnc(c2)F 62a_100009820150_100009816116 [0,2,0,0,0,0|2,0,0]=4 28045 B17R2.215 Fc1ccc(cn1)CSc2cncc(c2)Br 62a_100000728054_100000099788 [0,2,0,0,0,0|2,0,0]=4 28046 B17R2.215 Fc1ccc(cn1)CSc2cncc(c2)Br 62a_100009820150_100000728054 [0,2,0,0,0,0|2,0,0]=4 28047 B17R2.215 Fc1ccc(cn1)CSc2cncc(c2)Cl 62a_100000049639_100000099788 [0,2,0,0,0,0|2,0,0]=4 28048 B17R2.215 Fc1ccc(cn1)CSc2cncc(c2)Cl 62a_100009820150_100000049639 [0,2,0,0,0,0|2,0,0]=4 28049 B17R2.215 Fc1ccc(cn1)OCc2cccc(c2)Br 34a_100000688820_100000698116 [0,2,0,0,0,0|2,0,0]=4 28050 B17R2.215 Fc1ccc(cn1)OCc2cccc(c2)Br 7a_100000688820_100000211773 [0,2,0,0,0,0|2,0,0]=4 28051 B17R2.215 Fc1ccc(cn1)OCc2cccc(c2)Cl 34a_100000688820_100000187163 [0,2,0,0,0,0|2,0,0]=4 28052 B17R2.215 Fc1ccc(cn1)OCc2cccc(c2)Cl 7a_100000688820_100000187163 [0,2,0,0,0,0|2,0,0]=4 28053 B17R2.215 Fc1ccc(cn1)OCc2cccc(c2)I 34a_100000688820_100011218688 [0,2,0,0,0,0|2,0,0]=4 28054 B17R2.215 Fc1ccc(cn1)OCc2cccc(c2)I 7a_100000688820_100011218688 [0,2,0,0,0,0|2,0,0]=4 28055 B17R2.215 Fc1ccc(cn1)OCc2cncc(c2)Br 34a_100000688820_100000738771 [0,2,0,0,0,0|2,0,0]=4 28056 B17R2.215 Fc1ccc(cn1)OCc2cncc(c2)Br 7a_100000688820_100000738771 [0,2,0,0,0,0|2,0,0]=4 28057 B17R2.215 Fc1ccc(cn1)OCc2cncc(c2)Cl 34a_100000688820_100016992070 [0,2,0,0,0,0|2,0,0]=4 28058 B17R2.215 Fc1ccc(cn1)OCc2cncc(c2)Cl 7a_100000688820_100016992070 [0,2,0,0,0,0|2,0,0]=4 28059 B17R2.215 Fc1ccc(cn1)SCc2cccc(c2)Br 62a_100000042367_100000211773 [0,2,0,0,0,0|2,0,0]=4 28060 B17R2.215 Fc1ccc(cn1)SCc2cccc(c2)Br 62a_100000211773_100000042367 [0,2,0,0,0,0|2,0,0]=4 28061 B17R2.215 Fc1ccc(cn1)SCc2cccc(c2)Cl 62a_100000042367_100000187163 [0,2,0,0,0,0|2,0,0]=4 28062 B17R2.215 Fc1ccc(cn1)SCc2cccc(c2)Cl 62a_100000187163_100000042367 [0,2,0,0,0,0|2,0,0]=4 28063 B17R2.215 Fc1ccc(cn1)SCc2cccc(c2)I 62a_100000042367_100011218688 [0,2,0,0,0,0|2,0,0]=4 28064 B17R2.215 Fc1ccc(cn1)SCc2cccc(c2)I 62a_100011218688_100000042367 [0,2,0,0,0,0|2,0,0]=4 28065 B17R2.215 Fc1ccc(cn1)SCc2cncc(c2)Br 62a_100000042367_100000738771 [0,2,0,0,0,0|2,0,0]=4 28066 B17R2.215 Fc1ccc(cn1)SCc2cncc(c2)Br 62a_100000738771_100000042367 [0,2,0,0,0,0|2,0,0]=4 28067 B17R2.215 Fc1ccc(cn1)SCc2cncc(c2)Cl 62a_100000042367_100016992070 [0,2,0,0,0,0|2,0,0]=4 28068 B17R2.215 Fc1ccc(cn1)SCc2cncc(c2)Cl 62a_100016992070_100000042367 [0,2,0,0,0,0|2,0,0]=4 28069 B17R2.215 Fc1ccc(nc1)CNc2cccc(c2)Br 207a_100000210019_100011934744 [0,2,0,0,0,0|2,0,0]=4 28070 B17R2.215 Fc1ccc(nc1)CNc2cccc(c2)Br 34a_100000210019_100000703193 [0,2,0,0,0,0|2,0,0]=4 28071 B17R2.215 Fc1ccc(nc1)CNc2cccc(c2)Cl 207a_100000185859_100011934744 [0,2,0,0,0,0|2,0,0]=4 28072 B17R2.215 Fc1ccc(nc1)CNc2cccc(c2)Cl 34a_100000185859_100000703193 [0,2,0,0,0,0|2,0,0]=4 28073 B17R2.215 Fc1ccc(nc1)CNc2cccc(c2)F 207a_100000210047_100011934744 [0,2,0,0,0,0|2,0,0]=4 28074 B17R2.215 Fc1ccc(nc1)CNc2cccc(c2)F 34a_100000210047_100000703193 [0,2,0,0,0,0|2,0,0]=4 28075 B17R2.215 Fc1ccc(nc1)CNc2cccc(c2)I 207a_100000211102_100011934744 [0,2,0,0,0,0|2,0,0]=4 28076 B17R2.215 Fc1ccc(nc1)CNc2cccc(c2)I 34a_100000211102_100000703193 [0,2,0,0,0,0|2,0,0]=4 28077 B17R2.215 Fc1ccc(nc1)OCc2cncc(c2)Br 34a_100000742473_100000738771 [0,2,0,0,0,0|2,0,0]=4 28078 B17R2.215 Fc1ccc(nc1)OCc2cncc(c2)Cl 34a_100000742473_100016992070 [0,2,0,0,0,0|2,0,0]=4 28079 B17R2.215 Fc1ccc(nc1)OCc2cncc(c2)F 34a_100000742473_100000725299 [0,2,0,0,0,0|2,0,0]=4 28080 B17R2.215 Fc1ccc(nc1)SCc2cncc(c2)Br 62a_100000738771_100000744514 [0,2,0,0,0,0|2,0,0]=4 28081 B17R2.215 Fc1ccc(nc1)SCc2cncc(c2)Br 62a_100000744514_100000738771 [0,2,0,0,0,0|2,0,0]=4 28082 B17R2.215 Fc1ccc(nc1)SCc2cncc(c2)Cl 62a_100000744514_100016992070 [0,2,0,0,0,0|2,0,0]=4 28083 B17R2.215 Fc1ccc(nc1)SCc2cncc(c2)Cl 62a_100016992070_100000744514 [0,2,0,0,0,0|2,0,0]=4 28084 B17R2.215 Fc1ccc(nc1)SCc2cncc(c2)F 62a_100000725299_100000744514 [0,2,0,0,0,0|2,0,0]=4 28085 B17R2.215 Fc1ccc(nc1)SCc2cncc(c2)F 62a_100000744514_100000725299 [0,2,0,0,0,0|2,0,0]=4 28086 B17R2.215 Fc1cccc(c1)C=Cc2ccc(nc2)Br 271570a_100102525537_100009814638 [0,2,0,0,0,0|1,0,1]=4 28087 B17R2.215 Fc1cccc(c1)C=Cc2ccc(nc2)Cl 271570a_100102525537_100000034144 [0,2,0,0,0,0|1,0,1]=4 28088 B17R2.215 Fc1cccc(c1)C=Cc2ccc(nc2)F 271570a_100102525537_100000748661 [0,2,0,0,0,0|1,0,1]=4 28089 B17R2.215 Fc1cccc(c1)CNc2ccc(cc2)Br 207a_100000210018_100000210812 [0,2,0,0,0,0|1,0,0]=3 28090 B17R2.215 Fc1cccc(c1)CNc2ccc(cc2)Br 2230a_100000210018_100000230114 [0,2,0,0,0,0|1,0,0]=3 28091 B17R2.215 Fc1cccc(c1)CNc2ccc(cc2)Br 270302a_100000210018_100000210812 [0,2,0,0,0,0|1,0,0]=3 28092 B17R2.215 Fc1cccc(c1)CNc2ccc(cc2)Br 34a_100000210018_100000187166 [0,2,0,0,0,0|1,0,0]=3 28093 B17R2.215 Fc1cccc(c1)CNc2ccc(cc2)Cl 207a_100000210052_100000210812 [0,2,0,0,0,0|1,0,0]=3 28094 B17R2.215 Fc1cccc(c1)CNc2ccc(cc2)Cl 2230a_100000210052_100000230114 [0,2,0,0,0,0|1,0,0]=3 28095 B17R2.215 Fc1cccc(c1)CNc2ccc(cc2)Cl 270302a_100000210052_100000210812 [0,2,0,0,0,0|1,0,0]=3 28096 B17R2.215 Fc1cccc(c1)CNc2ccc(cc2)Cl 34a_100000210052_100000187166 [0,2,0,0,0,0|1,0,0]=3 28097 B17R2.215 Fc1cccc(c1)CNc2ccc(cc2)I 207a_100000185761_100000210812 [0,2,0,0,0,0|1,0,0]=3 28098 B17R2.215 Fc1cccc(c1)CNc2ccc(cc2)I 270302a_100000185761_100000210812 [0,2,0,0,0,0|1,0,0]=3 28099 B17R2.215 Fc1cccc(c1)CNc2ccc(cc2)I 34a_100000185761_100000187166 [0,2,0,0,0,0|1,0,0]=3 28100 B17R2.215 Fc1cccc(c1)CNc2ccc(cn2)Br 27a_100000174948_100000686858 [0,2,0,0,0,0|2,0,0]=4 28101 B17R2.215 Fc1cccc(c1)COc2ccc(cc2)Br 34a_100000185759_100000187166 [0,2,0,0,0,0|2,0,0]=4 28102 B17R2.215 Fc1cccc(c1)COc2ccc(cc2)Br 7a_100000185759_100000230114 [0,2,0,0,0,0|2,0,0]=4 28103 B17R2.215 Fc1cccc(c1)COc2ccc(cc2)Cl 34a_100000210216_100000187166 [0,2,0,0,0,0|2,0,0]=4 28104 B17R2.215 Fc1cccc(c1)COc2ccc(cc2)Cl 7a_100000210216_100000230114 [0,2,0,0,0,0|2,0,0]=4 28105 B17R2.215 Fc1cccc(c1)COc2ccc(cc2)I 34a_100000212066_100000187166 [0,2,0,0,0,0|2,0,0]=4 28106 B17R2.215 Fc1cccc(c1)COc2ccc(cc2)I 7a_100000212066_100000230114 [0,2,0,0,0,0|2,0,0]=4 28107 B17R2.215 Fc1cccc(c1)COc2ccc(nc2)Br 34a_100000685995_100000187166 [0,2,0,0,0,0|2,0,0]=4 28108 B17R2.215 Fc1cccc(c1)COc2ccc(nc2)Br 7a_100000685995_100000230114 [0,2,0,0,0,0|2,0,0]=4 28109 B17R2.215 Fc1cccc(c1)COc2ccc(nc2)Cl 34a_100000744096_100000187166 [0,2,0,0,0,0|2,0,0]=4 28110 B17R2.215 Fc1cccc(c1)COc2ccc(nc2)Cl 7a_100000744096_100000230114 [0,2,0,0,0,0|2,0,0]=4 28111 B17R2.215 Fc1cccc(c1)COc2ccc(nc2)F 34a_100000688820_100000187166 [0,2,0,0,0,0|2,0,0]=4 28112 B17R2.215 Fc1cccc(c1)COc2ccc(nc2)F 7a_100000688820_100000230114 [0,2,0,0,0,0|2,0,0]=4 28113 B17R2.215 Fc1cccc(c1)COc2ccc(nc2)I 34a_100000687607_100000187166 [0,2,0,0,0,0|2,0,0]=4 28114 B17R2.215 Fc1cccc(c1)COc2ccc(nc2)I 7a_100000687607_100000230114 [0,2,0,0,0,0|2,0,0]=4 28115 B17R2.215 Fc1cccc(c1)CSc2ccc(cc2)Br 62a_100000230114_100000752885 [0,2,0,0,0,0|2,0,0]=4 28116 B17R2.215 Fc1cccc(c1)CSc2ccc(cc2)Br 62a_100000752885_100000230114 [0,2,0,0,0,0|2,0,0]=4 28117 B17R2.215 Fc1cccc(c1)CSc2ccc(cc2)Cl 62a_100000230114_100000755918 [0,2,0,0,0,0|2,0,0]=4 28118 B17R2.215 Fc1cccc(c1)CSc2ccc(cc2)Cl 62a_100000755918_100000230114 [0,2,0,0,0,0|2,0,0]=4 28119 B17R2.215 Fc1cccc(c1)CSc2ccc(nc2)Br 62a_100000230114_100009814638 [0,2,0,0,0,0|2,0,0]=4 28120 B17R2.215 Fc1cccc(c1)CSc2ccc(nc2)Br 62a_100009814638_100000230114 [0,2,0,0,0,0|2,0,0]=4 28121 B17R2.215 Fc1cccc(c1)CSc2ccc(nc2)Cl 62a_100000034144_100000230114 [0,2,0,0,0,0|2,0,0]=4 28122 B17R2.215 Fc1cccc(c1)CSc2ccc(nc2)Cl 62a_100000230114_100000034144 [0,2,0,0,0,0|2,0,0]=4 28123 B17R2.215 Fc1cccc(c1)CSc2ccc(nc2)F 62a_100000042367_100000230114 [0,2,0,0,0,0|2,0,0]=4 28124 B17R2.215 Fc1cccc(c1)CSc2ccc(nc2)F 62a_100000230114_100000042367 [0,2,0,0,0,0|2,0,0]=4 28125 B17R2.215 Fc1cccc(c1)NCc2ccc(cc2)Br 207a_100000210047_100000186029 [0,2,0,0,0,0|1,0,0]=3 28126 B17R2.215 Fc1cccc(c1)NCc2ccc(cc2)Br 270302a_100000210047_100000186029 [0,2,0,0,0,0|1,0,0]=3 28127 B17R2.215 Fc1cccc(c1)NCc2ccc(cc2)Br 34a_100000210047_100000189115 [0,2,0,0,0,0|1,0,0]=3 28128 B17R2.215 Fc1cccc(c1)NCc2ccc(cc2)Cl 207a_100000210047_100000189385 [0,2,0,0,0,0|1,0,0]=3 28129 B17R2.215 Fc1cccc(c1)NCc2ccc(cc2)Cl 270302a_100000210047_100000189385 [0,2,0,0,0,0|1,0,0]=3 28130 B17R2.215 Fc1cccc(c1)NCc2ccc(cc2)Cl 34a_100000210047_100000694040 [0,2,0,0,0,0|1,0,0]=3 28131 B17R2.215 Fc1cccc(c1)NCc2ccc(cc2)I 207a_100000210047_100000188517 [0,2,0,0,0,0|1,0,0]=3 28132 B17R2.215 Fc1cccc(c1)NCc2ccc(cc2)I 270302a_100000210047_100000188517 [0,2,0,0,0,0|1,0,0]=3 28133 B17R2.215 Fc1cccc(c1)NCc2ccc(cc2)I 34a_100000210047_100000189116 [0,2,0,0,0,0|1,0,0]=3 28134 B17R2.215 Fc1cccc(c1)NCc2ccc(cn2)Br 207a_100000210047_100000754260 [0,2,0,0,0,0|2,0,0]=4 28135 B17R2.215 Fc1cccc(c1)NCc2ccc(cn2)Br 270302a_100000210047_100000754260 [0,2,0,0,0,0|2,0,0]=4 28136 B17R2.215 Fc1cccc(c1)NCc2ccc(cn2)Br 34a_100000210047_100000702658 [0,2,0,0,0,0|2,0,0]=4 28137 B17R2.215 Fc1cccc(c1)NCc2ccc(cn2)Cl 207a_100000210047_100011361569 [0,2,0,0,0,0|2,0,0]=4 28138 B17R2.215 Fc1cccc(c1)NCc2ccc(cn2)Cl 270302a_100000210047_100011361569 [0,2,0,0,0,0|2,0,0]=4 28139 B17R2.215 Fc1cccc(c1)NCc2ccc(cn2)Cl 34a_100000210047_100012066911 [0,2,0,0,0,0|2,0,0]=4 28140 B17R2.215 Fc1cccc(c1)NCc2ccc(nc2)Br 34a_100000210047_100009831999 [0,2,0,0,0,0|0,0,0]=2 28141 B17R2.215 Fc1cccc(c1)NCc2ccc(nc2)Cl 270302a_100000210047_100000766901 [0,2,0,0,0,0|0,0,0]=2 28142 B17R2.215 Fc1cccc(c1)NCc2ccc(nc2)Cl 34a_100000210047_100000735431 [0,2,0,0,0,0|0,0,0]=2 28143 B17R2.215 Fc1cccc(c1)NCc2ccc(nc2)F 270302a_100000210047_100000068566 [0,2,0,0,0,0|0,0,0]=2 28144 B17R2.215 Fc1cccc(c1)NCc2ccc(nc2)F 34a_100000210047_100000099788 [0,2,0,0,0,0|0,0,0]=2 28145 B17R2.215 Fc1cccc(c1)NCc2ccc(nn2)Cl 34a_100000210047_100016992710 [0,2,0,0,0,0|1,0,0]=3 28146 B17R2.215 Fc1cccc(c1)OCc2ccc(cc2)Br 34a_100000210426_100000189115 [0,2,0,0,0,0|2,0,0]=4 28147 B17R2.215 Fc1cccc(c1)OCc2ccc(cc2)Br 7a_100000210426_100011217064 [0,2,0,0,0,0|2,0,0]=4 28148 B17R2.215 Fc1cccc(c1)OCc2ccc(cc2)Cl 34a_100000210426_100000694040 [0,2,0,0,0,0|2,0,0]=4 28149 B17R2.215 Fc1cccc(c1)OCc2ccc(cc2)Cl 7a_100000210426_100000187161 [0,2,0,0,0,0|2,0,0]=4 28150 B17R2.215 Fc1cccc(c1)OCc2ccc(cc2)I 34a_100000210426_100000189116 [0,2,0,0,0,0|2,0,0]=4 28151 B17R2.215 Fc1cccc(c1)OCc2ccc(cc2)I 7a_100000210426_100000189116 [0,2,0,0,0,0|2,0,0]=4 28152 B17R2.215 Fc1cccc(c1)OCc2ccc(nc2)Br 34a_100000210426_100009831999 [0,2,0,0,0,0|1,0,0]=3 28153 B17R2.215 Fc1cccc(c1)OCc2ccc(nc2)Br 7a_100000210426_100009831999 [0,2,0,0,0,0|1,0,0]=3 28154 B17R2.215 Fc1cccc(c1)OCc2ccc(nc2)Cl 34a_100000210426_100000735431 [0,2,0,0,0,0|1,0,0]=3 28155 B17R2.215 Fc1cccc(c1)OCc2ccc(nc2)Cl 7a_100000210426_100000735431 [0,2,0,0,0,0|1,0,0]=3 28156 B17R2.215 Fc1cccc(c1)OCc2ccc(nc2)F 34a_100000210426_100000099788 [0,2,0,0,0,0|1,0,0]=3 28157 B17R2.215 Fc1cccc(c1)OCc2ccc(nc2)F 7a_100000210426_100009820150 [0,2,0,0,0,0|1,0,0]=3 28158 B17R2.215 Fc1cccc(c1)OCc2ccc(nn2)Cl 34a_100000210426_100016992710 [0,2,0,0,0,0|2,0,0]=4 28159 B17R2.215 Fc1cccc(c1)OCc2ccc(nn2)Cl 7a_100000210426_100016992710 [0,2,0,0,0,0|2,0,0]=4 28160 B17R2.215 Fc1cccc(c1)SCc2ccc(cc2)Br 62a_100000189115_100000685547 [0,2,0,0,0,0|2,0,0]=4 28161 B17R2.215 Fc1cccc(c1)SCc2ccc(cc2)Br 62a_100000685547_100000189115 [0,2,0,0,0,0|2,0,0]=4 28162 B17R2.215 Fc1cccc(c1)SCc2ccc(cc2)Cl 62a_100000187161_100000685547 [0,2,0,0,0,0|2,0,0]=4 28163 B17R2.215 Fc1cccc(c1)SCc2ccc(cc2)Cl 62a_100000685547_100000187161 [0,2,0,0,0,0|2,0,0]=4 28164 B17R2.215 Fc1cccc(c1)SCc2ccc(cc2)I 62a_100000189116_100000685547 [0,2,0,0,0,0|2,0,0]=4 28165 B17R2.215 Fc1cccc(c1)SCc2ccc(cc2)I 62a_100000685547_100000189116 [0,2,0,0,0,0|2,0,0]=4 28166 B17R2.215 Fc1cccc(c1)SCc2ccc(nc2)Br 62a_100000685547_100009831999 [0,2,0,0,0,0|1,0,0]=3 28167 B17R2.215 Fc1cccc(c1)SCc2ccc(nc2)Br 62a_100009831999_100000685547 [0,2,0,0,0,0|1,0,0]=3 28168 B17R2.215 Fc1cccc(c1)SCc2ccc(nc2)Cl 62a_100000685547_100000735431 [0,2,0,0,0,0|1,0,0]=3 28169 B17R2.215 Fc1cccc(c1)SCc2ccc(nc2)Cl 62a_100000735431_100000685547 [0,2,0,0,0,0|1,0,0]=3 28170 B17R2.215 Fc1cccc(c1)SCc2ccc(nc2)F 62a_100000685547_100000099788 [0,2,0,0,0,0|1,0,0]=3 28171 B17R2.215 Fc1cccc(c1)SCc2ccc(nc2)F 62a_100009820150_100000685547 [0,2,0,0,0,0|1,0,0]=3 28172 B17R2.215 Fc1cccc(c1)SCc2ccc(nn2)Cl 62a_100000685547_100016992710 [0,2,0,0,0,0|2,0,0]=4 28173 B17R2.215 Fc1cccc(c1)SCc2ccc(nn2)Cl 62a_100016992710_100000685547 [0,2,0,0,0,0|2,0,0]=4 28174 B17R2.215 Fc1cccc(n1)CNc2ccc(cc2)Br 2230a_100000210018_100009819644 [0,2,0,0,0,0|2,0,0]=4 28175 B17R2.215 Fc1cccc(n1)CNc2ccc(cc2)Br 34a_100000210018_100009819644 [0,2,0,0,0,0|2,0,0]=4 28176 B17R2.215 Fc1cccc(n1)CNc2ccc(cc2)Cl 2230a_100000210052_100009819644 [0,2,0,0,0,0|2,0,0]=4 28177 B17R2.215 Fc1cccc(n1)CNc2ccc(cc2)Cl 34a_100000210052_100009819644 [0,2,0,0,0,0|2,0,0]=4 28178 B17R2.215 Fc1cccc(n1)CNc2ccc(cc2)I 34a_100000185761_100009819644 [0,2,0,0,0,0|2,0,0]=4 28179 B17R2.215 Fc1cccc(n1)NCc2ccc(cc2)Br 27a_100000174875_100009815982 [0,2,0,0,0,0|2,0,0]=4 28180 B17R2.215 Fc1cccc(n1)NCc2ccc(cc2)Cl 27a_100000174871_100009815982 [0,2,0,0,0,0|2,0,0]=4 28181 B17R2.215 Fc1cccc(n1)NCc2ccc(cc2)I 27a_100016989417_100009815982 [0,2,0,0,0,0|2,0,0]=4 28182 B17R2.215 Fc1cccc(n1)NCc2ccc(nc2)Br 27a_100009817727_100009815982 [0,2,0,0,0,0|1,0,0]=3 28183 B17R2.215 Fc1cccc(n1)NCc2ccc(nc2)Cl 27a_100000735879_100009815982 [0,2,0,0,0,0|1,0,0]=3 28184 B17R2.215 Fc1cccc(n1)OCc2ccc(nc2)Br 34a_100011432558_100009831999 [0,2,0,0,0,0|2,0,0]=4 28185 B17R2.215 Fc1cccc(n1)OCc2ccc(nc2)Cl 34a_100011432558_100000735431 [0,2,0,0,0,0|2,0,0]=4 28186 B17R2.215 Fc1cccc(n1)SCc2ccc(nc2)Br 62a_100009815982_100009831999 [0,2,0,0,0,0|2,0,0]=4 28187 B17R2.215 Fc1cccc(n1)SCc2ccc(nc2)Br 62a_100009831999_100009815982 [0,2,0,0,0,0|2,0,0]=4 28188 B17R2.215 Fc1cccc(n1)SCc2ccc(nc2)Cl 62a_100000735431_100009815982 [0,2,0,0,0,0|2,0,0]=4 28189 B17R2.215 Fc1cccc(n1)SCc2ccc(nc2)Cl 62a_100009815982_100000735431 [0,2,0,0,0,0|2,0,0]=4 28190 B17R2.215 Fc1ccnc(c1)NCc2ccc(cc2)Br 27a_100000174875_100000764206 [0,2,0,0,0,0|2,0,0]=4 28191 B17R2.215 Fc1ccnc(c1)NCc2ccc(cc2)Cl 27a_100000174871_100000764206 [0,2,0,0,0,0|2,0,0]=4 28192 B17R2.215 Fc1ccnc(c1)NCc2ccc(cc2)I 27a_100016989417_100000764206 [0,2,0,0,0,0|2,0,0]=4 28193 B17R2.215 Fc1ccnc(c1)NCc2ccc(nc2)Br 27a_100009817727_100000764206 [0,2,0,0,0,0|1,0,0]=3 28194 B17R2.215 Fc1ccnc(c1)NCc2ccc(nc2)Cl 27a_100000735879_100000764206 [0,2,0,0,0,0|1,0,0]=3 28195 B17R2.215 Fc1ccnc(c1)NCc2ccc(nc2)F 27a_100000101913_100000764206 [0,2,0,0,0,0|1,0,0]=3 28196 B17R2.215 Fc1ccnc(c1)SCc2ccc(nc2)Br 62a_100000764206_100009831999 [0,2,0,0,0,0|2,0,0]=4 28197 B17R2.215 Fc1ccnc(c1)SCc2ccc(nc2)Br 62a_100009831999_100000764206 [0,2,0,0,0,0|2,0,0]=4 28198 B17R2.215 Fc1ccnc(c1)SCc2ccc(nc2)Cl 62a_100000735431_100000764206 [0,2,0,0,0,0|2,0,0]=4 28199 B17R2.215 Fc1ccnc(c1)SCc2ccc(nc2)Cl 62a_100000764206_100000735431 [0,2,0,0,0,0|2,0,0]=4 28200 B17R2.215 Fc1ccnc(c1)SCc2ccc(nc2)F 62a_100000764206_100000099788 [0,2,0,0,0,0|2,0,0]=4 28201 B17R2.215 Fc1ccnc(c1)SCc2ccc(nc2)F 62a_100009820150_100000764206 [0,2,0,0,0,0|2,0,0]=4 28202 B17R2.215 Fc1cnc(cn1)NCc2cncc(c2)Br 27a_100011249555_100009856528 [0,2,0,0,0,0|2,0,0]=4 28203 B17R2.215 Fc1cnc(cn1)NCc2cncc(c2)Cl 27a_200020614424_100009856528 [0,2,0,0,0,0|2,0,0]=4 28204 B17R2.215 Fc1cnc(nc1)NCc2cncc(c2)Br 27a_100011249555_100000685220 [0,2,0,0,0,0|2,0,0]=4 28205 B17R2.215 Fc1cnc(nc1)NCc2cncc(c2)Cl 27a_200020614424_100000685220 [0,2,0,0,0,0|2,0,0]=4 28206 B17R2.215 Fc1cnc(nc1)NCc2cncc(c2)F 27a_100011962886_100000685220 [0,2,0,0,0,0|2,0,0]=4 28207 B17R2.215 Fc1cncc(c1)C=Cc2ccc(cc2)Br 271570a_100102527914_100000744099 [0,2,0,0,0,0|1,0,1]=4 28208 B17R2.215 Fc1cncc(c1)C=Cc2ccc(cc2)Cl 271570a_100102527930_100000744099 [0,2,0,0,0,0|1,0,1]=4 28209 B17R2.215 Fc1cncc(c1)CNc2ccc(cc2)Br 207a_100000210018_100011361476 [0,2,0,0,0,0|0,0,0]=2 28210 B17R2.215 Fc1cncc(c1)CNc2ccc(cc2)Br 2230a_100000210018_100000725299 [0,2,0,0,0,0|0,0,0]=2 28211 B17R2.215 Fc1cncc(c1)CNc2ccc(cc2)Br 270302a_100000210018_100011361476 [0,2,0,0,0,0|0,0,0]=2 28212 B17R2.215 Fc1cncc(c1)CNc2ccc(cc2)Br 34a_100000210018_100000725299 [0,2,0,0,0,0|0,0,0]=2 28213 B17R2.215 Fc1cncc(c1)CNc2ccc(cc2)Cl 207a_100000210052_100011361476 [0,2,0,0,0,0|0,0,0]=2 28214 B17R2.215 Fc1cncc(c1)CNc2ccc(cc2)Cl 2230a_100000210052_100000725299 [0,2,0,0,0,0|0,0,0]=2 28215 B17R2.215 Fc1cncc(c1)CNc2ccc(cc2)Cl 270302a_100000210052_100011361476 [0,2,0,0,0,0|0,0,0]=2 28216 B17R2.215 Fc1cncc(c1)CNc2ccc(cc2)Cl 34a_100000210052_100000725299 [0,2,0,0,0,0|0,0,0]=2 28217 B17R2.215 Fc1cncc(c1)CNc2ccc(cc2)I 207a_100000185761_100011361476 [0,2,0,0,0,0|0,0,0]=2 28218 B17R2.215 Fc1cncc(c1)CNc2ccc(cc2)I 270302a_100000185761_100011361476 [0,2,0,0,0,0|0,0,0]=2 28219 B17R2.215 Fc1cncc(c1)CNc2ccc(cc2)I 34a_100000185761_100000725299 [0,2,0,0,0,0|0,0,0]=2 28220 B17R2.215 Fc1cncc(c1)CNc2ccc(cn2)Br 27a_100011962886_100000686858 [0,2,0,0,0,0|1,0,0]=3 28221 B17R2.215 Fc1cncc(c1)CNc2cnc(cn2)Br 27a_100011962886_100010187541 [0,2,0,0,0,0|2,0,0]=4 28222 B17R2.215 Fc1cncc(c1)CNc2cnc(cn2)F 27a_100011962886_100009856528 [0,2,0,0,0,0|2,0,0]=4 28223 B17R2.215 Fc1cncc(c1)CNc2ncc(cn2)Br 27a_100011962886_100000690281 [0,2,0,0,0,0|2,0,0]=4 28224 B17R2.215 Fc1cncc(c1)CNc2ncc(cn2)Cl 27a_100011962886_100011356929 [0,2,0,0,0,0|2,0,0]=4 28225 B17R2.215 Fc1cncc(c1)COc2ccc(cc2)Br 34a_100000185759_100000725299 [0,2,0,0,0,0|1,0,0]=3 28226 B17R2.215 Fc1cncc(c1)COc2ccc(cc2)Br 7a_100000185759_100000725299 [0,2,0,0,0,0|1,0,0]=3 28227 B17R2.215 Fc1cncc(c1)COc2ccc(cc2)Cl 34a_100000210216_100000725299 [0,2,0,0,0,0|1,0,0]=3 28228 B17R2.215 Fc1cncc(c1)COc2ccc(cc2)Cl 7a_100000210216_100000725299 [0,2,0,0,0,0|1,0,0]=3 28229 B17R2.215 Fc1cncc(c1)COc2ccc(cc2)I 34a_100000212066_100000725299 [0,2,0,0,0,0|1,0,0]=3 28230 B17R2.215 Fc1cncc(c1)COc2ccc(cc2)I 7a_100000212066_100000725299 [0,2,0,0,0,0|1,0,0]=3 28231 B17R2.215 Fc1cncc(c1)COc2ccc(cn2)Cl 34a_100011215309_100000725299 [0,2,0,0,0,0|2,0,0]=4 28232 B17R2.215 Fc1cncc(c1)COc2ccc(nc2)Br 34a_100000685995_100000725299 [0,2,0,0,0,0|2,0,0]=4 28233 B17R2.215 Fc1cncc(c1)COc2ccc(nc2)Br 7a_100000685995_100000725299 [0,2,0,0,0,0|2,0,0]=4 28234 B17R2.215 Fc1cncc(c1)COc2ccc(nc2)Cl 34a_100000744096_100000725299 [0,2,0,0,0,0|2,0,0]=4 28235 B17R2.215 Fc1cncc(c1)COc2ccc(nc2)Cl 7a_100000744096_100000725299 [0,2,0,0,0,0|2,0,0]=4 28236 B17R2.215 Fc1cncc(c1)COc2ccc(nc2)F 34a_100000688820_100000725299 [0,2,0,0,0,0|2,0,0]=4 28237 B17R2.215 Fc1cncc(c1)COc2ccc(nc2)F 7a_100000688820_100000725299 [0,2,0,0,0,0|2,0,0]=4 28238 B17R2.215 Fc1cncc(c1)COc2ccc(nc2)I 34a_100000687607_100000725299 [0,2,0,0,0,0|2,0,0]=4 28239 B17R2.215 Fc1cncc(c1)COc2ccc(nc2)I 7a_100000687607_100000725299 [0,2,0,0,0,0|2,0,0]=4 28240 B17R2.215 Fc1cncc(c1)CSc2ccc(cc2)Br 62a_100000725299_100000752885 [0,2,0,0,0,0|1,0,0]=3 28241 B17R2.215 Fc1cncc(c1)CSc2ccc(cc2)Br 62a_100000752885_100000725299 [0,2,0,0,0,0|1,0,0]=3 28242 B17R2.215 Fc1cncc(c1)CSc2ccc(cc2)Cl 62a_100000725299_100000755918 [0,2,0,0,0,0|1,0,0]=3 28243 B17R2.215 Fc1cncc(c1)CSc2ccc(cc2)Cl 62a_100000755918_100000725299 [0,2,0,0,0,0|1,0,0]=3 28244 B17R2.215 Fc1cncc(c1)CSc2ccc(cn2)Br 62a_100000686858_100000725299 [0,2,0,0,0,0|2,0,0]=4 28245 B17R2.215 Fc1cncc(c1)CSc2ccc(cn2)Br 62a_100000725299_100000686858 [0,2,0,0,0,0|2,0,0]=4 28246 B17R2.215 Fc1cncc(c1)CSc2ccc(cn2)Cl 62a_100000725299_100011356976 [0,2,0,0,0,0|2,0,0]=4 28247 B17R2.215 Fc1cncc(c1)CSc2ccc(cn2)Cl 62a_100011356976_100000725299 [0,2,0,0,0,0|2,0,0]=4 28248 B17R2.215 Fc1cncc(c1)CSc2ccc(nc2)Br 62a_100000725299_100009814638 [0,2,0,0,0,0|2,0,0]=4 28249 B17R2.215 Fc1cncc(c1)CSc2ccc(nc2)Br 62a_100009814638_100000725299 [0,2,0,0,0,0|2,0,0]=4 28250 B17R2.215 Fc1cncc(c1)CSc2ccc(nc2)Cl 62a_100000034144_100000725299 [0,2,0,0,0,0|2,0,0]=4 28251 B17R2.215 Fc1cncc(c1)CSc2ccc(nc2)Cl 62a_100000725299_100000034144 [0,2,0,0,0,0|2,0,0]=4 28252 B17R2.215 Fc1cncc(c1)CSc2ccc(nc2)F 62a_100000042367_100000725299 [0,2,0,0,0,0|2,0,0]=4 28253 B17R2.215 Fc1cncc(c1)CSc2ccc(nc2)F 62a_100000725299_100000042367 [0,2,0,0,0,0|2,0,0]=4 28254 B17R2.215 Fc1cncc(c1)OCc2ccc(cc2)Br 34a_100011830296_100000189115 [0,2,0,0,0,0|2,0,0]=4 28255 B17R2.215 Fc1cncc(c1)OCc2ccc(cc2)Br 7a_100011830296_100011217064 [0,2,0,0,0,0|2,0,0]=4 28256 B17R2.215 Fc1cncc(c1)OCc2ccc(cc2)Cl 34a_100011830296_100000694040 [0,2,0,0,0,0|2,0,0]=4 28257 B17R2.215 Fc1cncc(c1)OCc2ccc(cc2)Cl 7a_100011830296_100000187161 [0,2,0,0,0,0|2,0,0]=4 28258 B17R2.215 Fc1cncc(c1)OCc2ccc(cc2)I 34a_100011830296_100000189116 [0,2,0,0,0,0|2,0,0]=4 28259 B17R2.215 Fc1cncc(c1)OCc2ccc(cc2)I 7a_100011830296_100000189116 [0,2,0,0,0,0|2,0,0]=4 28260 B17R2.215 Fc1cncc(c1)OCc2ccc(nc2)Br 34a_100011830296_100009831999 [0,2,0,0,0,0|2,0,0]=4 28261 B17R2.215 Fc1cncc(c1)OCc2ccc(nc2)Br 7a_100011830296_100009831999 [0,2,0,0,0,0|2,0,0]=4 28262 B17R2.215 Fc1cncc(c1)OCc2ccc(nc2)Cl 34a_100011830296_100000735431 [0,2,0,0,0,0|2,0,0]=4 28263 B17R2.215 Fc1cncc(c1)OCc2ccc(nc2)Cl 7a_100011830296_100000735431 [0,2,0,0,0,0|2,0,0]=4 28264 B17R2.215 Fc1cncc(c1)OCc2ccc(nc2)F 34a_100011830296_100000099788 [0,2,0,0,0,0|2,0,0]=4 28265 B17R2.215 Fc1cncc(c1)OCc2ccc(nc2)F 7a_100011830296_100009820150 [0,2,0,0,0,0|2,0,0]=4 28266 B17R2.215 Fc1cncc(c1)SCc2ccc(cc2)Br 62a_100000189115_100000744099 [0,2,0,0,0,0|2,0,0]=4 28267 B17R2.215 Fc1cncc(c1)SCc2ccc(cc2)Br 62a_100000744099_100000189115 [0,2,0,0,0,0|2,0,0]=4 28268 B17R2.215 Fc1cncc(c1)SCc2ccc(cc2)Cl 62a_100000187161_100000744099 [0,2,0,0,0,0|2,0,0]=4 28269 B17R2.215 Fc1cncc(c1)SCc2ccc(cc2)Cl 62a_100000744099_100000187161 [0,2,0,0,0,0|2,0,0]=4 28270 B17R2.215 Fc1cncc(c1)SCc2ccc(cc2)I 62a_100000189116_100000744099 [0,2,0,0,0,0|2,0,0]=4 28271 B17R2.215 Fc1cncc(c1)SCc2ccc(cc2)I 62a_100000744099_100000189116 [0,2,0,0,0,0|2,0,0]=4 28272 B17R2.215 Fc1cncc(c1)SCc2ccc(nc2)Br 62a_100000744099_100009831999 [0,2,0,0,0,0|2,0,0]=4 28273 B17R2.215 Fc1cncc(c1)SCc2ccc(nc2)Br 62a_100009831999_100000744099 [0,2,0,0,0,0|2,0,0]=4 28274 B17R2.215 Fc1cncc(c1)SCc2ccc(nc2)Cl 62a_100000735431_100000744099 [0,2,0,0,0,0|2,0,0]=4 28275 B17R2.215 Fc1cncc(c1)SCc2ccc(nc2)Cl 62a_100000744099_100000735431 [0,2,0,0,0,0|2,0,0]=4 28276 B17R2.215 Fc1cncc(c1)SCc2ccc(nc2)F 62a_100000744099_100000099788 [0,2,0,0,0,0|2,0,0]=4 28277 B17R2.215 Fc1cncc(c1)SCc2ccc(nc2)F 62a_100009820150_100000744099 [0,2,0,0,0,0|2,0,0]=4 28278 B17R2.215 Fc1cncc(n1)NCc2ccc(nc2)Br 27a_100009817727_200009863489 [0,2,0,0,0,0|2,0,0]=4 28279 B17R2.215 Fc1cncc(n1)NCc2ccc(nc2)Cl 27a_100000735879_200009863489 [0,2,0,0,0,0|2,0,0]=4 28280 B17R2.215 Ic1ccc(cc1)CNc2cccc(c2)I 207a_100000211102_100000188517 [0,2,0,0,0,0|1,0,0]=3 28281 B17R2.215 Ic1ccc(cc1)CNc2cccc(c2)I 270302a_100000211102_100000188517 [0,2,0,0,0,0|1,0,0]=3 28282 B17R2.215 Ic1ccc(cc1)CNc2cccc(c2)I 34a_100000211102_100000189116 [0,2,0,0,0,0|1,0,0]=3 28283 B17R2.215 Ic1ccc(cc1)COc2cccc(c2)I 34a_100000211634_100000189116 [0,2,0,0,0,0|2,0,0]=4 28284 B17R2.215 Ic1ccc(cc1)COc2cccc(c2)I 7a_100000211634_100000189116 [0,2,0,0,0,0|2,0,0]=4 28285 B17R2.215 Ic1ccc(cc1)NCc2cccc(c2)I 207a_100000185761_100000014684 [0,2,0,0,0,0|1,0,0]=3 28286 B17R2.215 Ic1ccc(cc1)NCc2cccc(c2)I 270302a_100000185761_100000014684 [0,2,0,0,0,0|1,0,0]=3 28287 B17R2.215 Ic1ccc(cc1)NCc2cccc(c2)I 34a_100000185761_100011218688 [0,2,0,0,0,0|1,0,0]=3 28288 B17R2.215 Ic1ccc(cc1)OCc2cccc(c2)I 34a_100000212066_100011218688 [0,2,0,0,0,0|2,0,0]=4 28289 B17R2.215 Ic1ccc(cc1)OCc2cccc(c2)I 7a_100000212066_100011218688 [0,2,0,0,0,0|2,0,0]=4 28290 B17R2.215 Ic1cccc(c1)COc2ccc(nc2)I 34a_100000687607_100011218688 [0,2,0,0,0,0|2,0,0]=4 28291 B17R2.215 Ic1cccc(c1)COc2ccc(nc2)I 7a_100000687607_100011218688 [0,2,0,0,0,0|2,0,0]=4 28292 B17R2.215 Nc1cc(ccn1)OCc2ccc(nc2)Br 34a_100011834064_100009831999 [0,2,0,0,0,0|2,0,0]=4 28293 B17R2.215 Nc1cc(ccn1)OCc2ccc(nc2)Cl 34a_100011834064_100000735431 [0,2,0,0,0,0|2,0,0]=4 28294 B17R2.215 Nc1cc(ccn1)OCc2ccc(nc2)F 34a_100011834064_100000099788 [0,2,0,0,0,0|2,0,0]=4 28295 B17R2.215 Nc1cc(ccn1)SCc2ccc(nc2)Br 62a_100000049665_100009831999 [0,2,0,0,0,0|2,0,0]=4 28296 B17R2.215 Nc1cc(ccn1)SCc2ccc(nc2)Br 62a_100009831999_100000049665 [0,2,0,0,0,0|2,0,0]=4 28297 B17R2.215 Nc1cc(ccn1)SCc2ccc(nc2)Cl 62a_100000049665_100000735431 [0,2,0,0,0,0|2,0,0]=4 28298 B17R2.215 Nc1cc(ccn1)SCc2ccc(nc2)Cl 62a_100000735431_100000049665 [0,2,0,0,0,0|2,0,0]=4 28299 B17R2.215 Nc1cc(ccn1)SCc2ccc(nc2)F 62a_100000049665_100000099788 [0,2,0,0,0,0|2,0,0]=4 28300 B17R2.215 Nc1cc(ccn1)SCc2ccc(nc2)F 62a_100009820150_100000049665 [0,2,0,0,0,0|2,0,0]=4 28301 B17R2.215 Nc1cc(ncn1)NCc2ccc(nc2)Br 27a_100009817727_100000701291 [0,2,0,0,0,0|2,0,0]=4 28302 B17R2.215 Nc1cc(ncn1)NCc2ccc(nc2)Cl 27a_100000735879_100000701291 [0,2,0,0,0,0|2,0,0]=4 28303 B17R2.215 Nc1cc(ncn1)NCc2ccc(nc2)F 27a_100000101913_100000701291 [0,2,0,0,0,0|2,0,0]=4 28304 B17R2.215 Nc1cc(ncn1)NCc2ccc(nc2)O 27a_100000757128_100000701291 [0,2,0,0,0,0|2,0,0]=4 28305 B17R2.215 Nc1ccc(cc1)OCc2cccc(c2)Br 34a_100000185829_100000698116 [0,2,0,0,0,0|2,0,0]=4 28306 B17R2.215 Nc1ccc(cc1)OCc2cccc(c2)Cl 34a_100000185829_100000187163 [0,2,0,0,0,0|2,0,0]=4 28307 B17R2.215 Nc1ccc(cc1)OCc2cccc(c2)F 34a_100000185829_100000187166 [0,2,0,0,0,0|2,0,0]=4 28308 B17R2.215 Nc1ccc(cc1)OCc2cccc(c2)I 34a_100000185829_100011218688 [0,2,0,0,0,0|2,0,0]=4 28309 B17R2.215 Nc1ccc(cc1)OCc2cccc(c2)O 34a_100000185829_100011660834 [0,2,0,0,0,0|2,0,0]=4 28310 B17R2.215 Nc1ccc(cc1)OCc2cncc(c2)Br 34a_100000185829_100000738771 [0,2,0,0,0,0|1,0,0]=3 28311 B17R2.215 Nc1ccc(cc1)OCc2cncc(c2)Cl 34a_100000185829_100016992070 [0,2,0,0,0,0|1,0,0]=3 28312 B17R2.215 Nc1ccc(cc1)OCc2cncc(c2)F 34a_100000185829_100000725299 [0,2,0,0,0,0|1,0,0]=3 28313 B17R2.215 Nc1ccc(cc1)SCc2cccc(c2)Br 62a_100000185761_100000211773 [0,2,0,0,0,0|2,0,0]=4 28314 B17R2.215 Nc1ccc(cc1)SCc2cccc(c2)Br 62a_100000211773_100000185761 [0,2,0,0,0,0|2,0,0]=4 28315 B17R2.215 Nc1ccc(cc1)SCc2cccc(c2)Cl 62a_100000185761_100000187163 [0,2,0,0,0,0|2,0,0]=4 28316 B17R2.215 Nc1ccc(cc1)SCc2cccc(c2)Cl 62a_100000187163_100000185761 [0,2,0,0,0,0|2,0,0]=4 28317 B17R2.215 Nc1ccc(cc1)SCc2cccc(c2)F 62a_100000185761_100000230114 [0,2,0,0,0,0|2,0,0]=4 28318 B17R2.215 Nc1ccc(cc1)SCc2cccc(c2)F 62a_100000230114_100000185761 [0,2,0,0,0,0|2,0,0]=4 28319 B17R2.215 Nc1ccc(cc1)SCc2cccc(c2)I 62a_100000185761_100011218688 [0,2,0,0,0,0|2,0,0]=4 28320 B17R2.215 Nc1ccc(cc1)SCc2cccc(c2)I 62a_100011218688_100000185761 [0,2,0,0,0,0|2,0,0]=4 28321 B17R2.215 Nc1ccc(cc1)SCc2cccc(c2)O 62a_100000185761_100011660834 [0,2,0,0,0,0|2,0,0]=4 28322 B17R2.215 Nc1ccc(cc1)SCc2cccc(c2)O 62a_100011660834_100000185761 [0,2,0,0,0,0|2,0,0]=4 28323 B17R2.215 Nc1ccc(cc1)SCc2cncc(c2)Br 62a_100000185761_100000738771 [0,2,0,0,0,0|1,0,0]=3 28324 B17R2.215 Nc1ccc(cc1)SCc2cncc(c2)Br 62a_100000738771_100000185761 [0,2,0,0,0,0|1,0,0]=3 28325 B17R2.215 Nc1ccc(cc1)SCc2cncc(c2)Cl 62a_100000185761_100016992070 [0,2,0,0,0,0|1,0,0]=3 28326 B17R2.215 Nc1ccc(cc1)SCc2cncc(c2)Cl 62a_100016992070_100000185761 [0,2,0,0,0,0|1,0,0]=3 28327 B17R2.215 Nc1ccc(cc1)SCc2cncc(c2)F 62a_100000185761_100000725299 [0,2,0,0,0,0|1,0,0]=3 28328 B17R2.215 Nc1ccc(cc1)SCc2cncc(c2)F 62a_100000725299_100000185761 [0,2,0,0,0,0|1,0,0]=3 28329 B17R2.215 Nc1ccc(cn1)C=Cc2cccc(c2)Cl 271570a_100102525933_100000187370 [0,2,0,0,0,0|1,0,1]=4 28330 B17R2.215 Nc1ccc(cn1)C=Cc2cccc(c2)F 271570a_100102525537_100000187370 [0,2,0,0,0,0|1,0,1]=4 28331 B17R2.215 Nc1ccc(cn1)OCc2cccc(c2)Br 34a_100015188713_100000698116 [0,2,0,0,0,0|2,0,0]=4 28332 B17R2.215 Nc1ccc(cn1)OCc2cccc(c2)Br 7a_100015188713_100000211773 [0,2,0,0,0,0|2,0,0]=4 28333 B17R2.215 Nc1ccc(cn1)OCc2cccc(c2)Cl 34a_100015188713_100000187163 [0,2,0,0,0,0|2,0,0]=4 28334 B17R2.215 Nc1ccc(cn1)OCc2cccc(c2)Cl 7a_100015188713_100000187163 [0,2,0,0,0,0|2,0,0]=4 28335 B17R2.215 Nc1ccc(cn1)OCc2cccc(c2)F 34a_100015188713_100000187166 [0,2,0,0,0,0|2,0,0]=4 28336 B17R2.215 Nc1ccc(cn1)OCc2cccc(c2)F 7a_100015188713_100000230114 [0,2,0,0,0,0|2,0,0]=4 28337 B17R2.215 Nc1ccc(cn1)OCc2cccc(c2)I 34a_100015188713_100011218688 [0,2,0,0,0,0|2,0,0]=4 28338 B17R2.215 Nc1ccc(cn1)OCc2cccc(c2)I 7a_100015188713_100011218688 [0,2,0,0,0,0|2,0,0]=4 28339 B17R2.215 Nc1ccc(cn1)OCc2cccc(c2)O 34a_100015188713_100011660834 [0,2,0,0,0,0|2,0,0]=4 28340 B17R2.215 Nc1ccc(cn1)OCc2cccc(c2)O 7a_100015188713_100000084143 [0,2,0,0,0,0|2,0,0]=4 28341 B17R2.215 Nc1ccc(cn1)OCc2cncc(c2)Br 34a_100015188713_100000738771 [0,2,0,0,0,0|2,0,0]=4 28342 B17R2.215 Nc1ccc(cn1)OCc2cncc(c2)Br 7a_100015188713_100000738771 [0,2,0,0,0,0|2,0,0]=4 28343 B17R2.215 Nc1ccc(cn1)OCc2cncc(c2)Cl 34a_100015188713_100016992070 [0,2,0,0,0,0|2,0,0]=4 28344 B17R2.215 Nc1ccc(cn1)OCc2cncc(c2)Cl 7a_100015188713_100016992070 [0,2,0,0,0,0|2,0,0]=4 28345 B17R2.215 Nc1ccc(cn1)OCc2cncc(c2)F 34a_100015188713_100000725299 [0,2,0,0,0,0|2,0,0]=4 28346 B17R2.215 Nc1ccc(cn1)OCc2cncc(c2)F 7a_100015188713_100000725299 [0,2,0,0,0,0|2,0,0]=4 28347 B17R2.215 Nc1ccc(cn1)SCc2cccc(c2)Br 62a_100000187370_100000211773 [0,2,0,0,0,0|2,0,0]=4 28348 B17R2.215 Nc1ccc(cn1)SCc2cccc(c2)Br 62a_100000211773_100000187370 [0,2,0,0,0,0|2,0,0]=4 28349 B17R2.215 Nc1ccc(cn1)SCc2cccc(c2)Cl 62a_100000187163_100000187370 [0,2,0,0,0,0|2,0,0]=4 28350 B17R2.215 Nc1ccc(cn1)SCc2cccc(c2)Cl 62a_100000187370_100000187163 [0,2,0,0,0,0|2,0,0]=4 28351 B17R2.215 Nc1ccc(cn1)SCc2cccc(c2)F 62a_100000187370_100000230114 [0,2,0,0,0,0|2,0,0]=4 28352 B17R2.215 Nc1ccc(cn1)SCc2cccc(c2)F 62a_100000230114_100000187370 [0,2,0,0,0,0|2,0,0]=4 28353 B17R2.215 Nc1ccc(cn1)SCc2cccc(c2)I 62a_100000187370_100011218688 [0,2,0,0,0,0|2,0,0]=4 28354 B17R2.215 Nc1ccc(cn1)SCc2cccc(c2)I 62a_100011218688_100000187370 [0,2,0,0,0,0|2,0,0]=4 28355 B17R2.215 Nc1ccc(cn1)SCc2cccc(c2)O 62a_100000187370_100011660834 [0,2,0,0,0,0|2,0,0]=4 28356 B17R2.215 Nc1ccc(cn1)SCc2cccc(c2)O 62a_100011660834_100000187370 [0,2,0,0,0,0|2,0,0]=4 28357 B17R2.215 Nc1ccc(cn1)SCc2cncc(c2)Br 62a_100000187370_100000738771 [0,2,0,0,0,0|2,0,0]=4 28358 B17R2.215 Nc1ccc(cn1)SCc2cncc(c2)Br 62a_100000738771_100000187370 [0,2,0,0,0,0|2,0,0]=4 28359 B17R2.215 Nc1ccc(cn1)SCc2cncc(c2)Cl 62a_100000187370_100016992070 [0,2,0,0,0,0|2,0,0]=4 28360 B17R2.215 Nc1ccc(cn1)SCc2cncc(c2)Cl 62a_100016992070_100000187370 [0,2,0,0,0,0|2,0,0]=4 28361 B17R2.215 Nc1ccc(cn1)SCc2cncc(c2)F 62a_100000187370_100000725299 [0,2,0,0,0,0|2,0,0]=4 28362 B17R2.215 Nc1ccc(cn1)SCc2cncc(c2)F 62a_100000725299_100000187370 [0,2,0,0,0,0|2,0,0]=4 28363 B17R2.215 Nc1ccc(nc1)OCc2cncc(c2)Br 34a_100000729260_100000738771 [0,2,0,0,0,0|2,0,0]=4 28364 B17R2.215 Nc1ccc(nc1)OCc2cncc(c2)Cl 34a_100000729260_100016992070 [0,2,0,0,0,0|2,0,0]=4 28365 B17R2.215 Nc1ccc(nc1)OCc2cncc(c2)F 34a_100000729260_100000725299 [0,2,0,0,0,0|2,0,0]=4 28366 B17R2.215 Nc1ccc(nc1)SCc2cncc(c2)Br 62a_100000737798_100000738771 [0,2,0,0,0,0|2,0,0]=4 28367 B17R2.215 Nc1ccc(nc1)SCc2cncc(c2)Br 62a_100000738771_100000737798 [0,2,0,0,0,0|2,0,0]=4 28368 B17R2.215 Nc1ccc(nc1)SCc2cncc(c2)Cl 62a_100000737798_100016992070 [0,2,0,0,0,0|2,0,0]=4 28369 B17R2.215 Nc1ccc(nc1)SCc2cncc(c2)Cl 62a_100016992070_100000737798 [0,2,0,0,0,0|2,0,0]=4 28370 B17R2.215 Nc1ccc(nc1)SCc2cncc(c2)F 62a_100000725299_100000737798 [0,2,0,0,0,0|2,0,0]=4 28371 B17R2.215 Nc1ccc(nc1)SCc2cncc(c2)F 62a_100000737798_100000725299 [0,2,0,0,0,0|2,0,0]=4 28372 B17R2.215 Nc1cccc(c1)OCc2ccc(cc2)Br 34a_100000210217_100000189115 [0,2,0,0,0,0|2,0,0]=4 28373 B17R2.215 Nc1cccc(c1)OCc2ccc(cc2)Cl 34a_100000210217_100000694040 [0,2,0,0,0,0|2,0,0]=4 28374 B17R2.215 Nc1cccc(c1)OCc2ccc(cc2)F 34a_100000210217_100000198546 [0,2,0,0,0,0|2,0,0]=4 28375 B17R2.215 Nc1cccc(c1)OCc2ccc(cc2)I 34a_100000210217_100000189116 [0,2,0,0,0,0|2,0,0]=4 28376 B17R2.215 Nc1cccc(c1)OCc2ccc(nc2)Br 34a_100000210217_100009831999 [0,2,0,0,0,0|1,0,0]=3 28377 B17R2.215 Nc1cccc(c1)OCc2ccc(nc2)Cl 34a_100000210217_100000735431 [0,2,0,0,0,0|1,0,0]=3 28378 B17R2.215 Nc1cccc(c1)OCc2ccc(nc2)F 34a_100000210217_100000099788 [0,2,0,0,0,0|1,0,0]=3 28379 B17R2.215 Nc1cccc(c1)OCc2ccc(nn2)Cl 34a_100000210217_100016992710 [0,2,0,0,0,0|2,0,0]=4 28380 B17R2.215 Nc1cccc(c1)SCc2ccc(cc2)Br 62a_100000189115_100000210019 [0,2,0,0,0,0|2,0,0]=4 28381 B17R2.215 Nc1cccc(c1)SCc2ccc(cc2)Br 62a_100000210019_100000189115 [0,2,0,0,0,0|2,0,0]=4 28382 B17R2.215 Nc1cccc(c1)SCc2ccc(cc2)Cl 62a_100000187161_100000210019 [0,2,0,0,0,0|2,0,0]=4 28383 B17R2.215 Nc1cccc(c1)SCc2ccc(cc2)Cl 62a_100000210019_100000187161 [0,2,0,0,0,0|2,0,0]=4 28384 B17R2.215 Nc1cccc(c1)SCc2ccc(cc2)F 62a_100000198546_100000210019 [0,2,0,0,0,0|2,0,0]=4 28385 B17R2.215 Nc1cccc(c1)SCc2ccc(cc2)F 62a_100000210019_100000187164 [0,2,0,0,0,0|2,0,0]=4 28386 B17R2.215 Nc1cccc(c1)SCc2ccc(cc2)I 62a_100000189116_100000210019 [0,2,0,0,0,0|2,0,0]=4 28387 B17R2.215 Nc1cccc(c1)SCc2ccc(cc2)I 62a_100000210019_100000189116 [0,2,0,0,0,0|2,0,0]=4 28388 B17R2.215 Nc1cccc(c1)SCc2ccc(nc2)Br 62a_100000210019_100009831999 [0,2,0,0,0,0|1,0,0]=3 28389 B17R2.215 Nc1cccc(c1)SCc2ccc(nc2)Br 62a_100009831999_100000210019 [0,2,0,0,0,0|1,0,0]=3 28390 B17R2.215 Nc1cccc(c1)SCc2ccc(nc2)Cl 62a_100000210019_100000735431 [0,2,0,0,0,0|1,0,0]=3 28391 B17R2.215 Nc1cccc(c1)SCc2ccc(nc2)Cl 62a_100000735431_100000210019 [0,2,0,0,0,0|1,0,0]=3 28392 B17R2.215 Nc1cccc(c1)SCc2ccc(nc2)F 62a_100000210019_100000099788 [0,2,0,0,0,0|1,0,0]=3 28393 B17R2.215 Nc1cccc(c1)SCc2ccc(nc2)F 62a_100009820150_100000210019 [0,2,0,0,0,0|1,0,0]=3 28394 B17R2.215 Nc1cccc(c1)SCc2ccc(nn2)Cl 62a_100000210019_100016992710 [0,2,0,0,0,0|2,0,0]=4 28395 B17R2.215 Nc1cccc(c1)SCc2ccc(nn2)Cl 62a_100016992710_100000210019 [0,2,0,0,0,0|2,0,0]=4 28396 B17R2.215 Nc1cccc(n1)SCc2ccc(nc2)Br 62a_100000740741_100009831999 [0,2,0,0,0,0|2,0,0]=4 28397 B17R2.215 Nc1cccc(n1)SCc2ccc(nc2)Br 62a_100009831999_100000740741 [0,2,0,0,0,0|2,0,0]=4 28398 B17R2.215 Nc1cccc(n1)SCc2ccc(nc2)Cl 62a_100000735431_100000740741 [0,2,0,0,0,0|2,0,0]=4 28399 B17R2.215 Nc1cccc(n1)SCc2ccc(nc2)Cl 62a_100000740741_100000735431 [0,2,0,0,0,0|2,0,0]=4 28400 B17R2.215 Nc1cccc(n1)SCc2ccc(nc2)F 62a_100000740741_100000099788 [0,2,0,0,0,0|2,0,0]=4 28401 B17R2.215 Nc1cccc(n1)SCc2ccc(nc2)F 62a_100009820150_100000740741 [0,2,0,0,0,0|2,0,0]=4 28402 B17R2.215 Nc1ccnc(c1)SCc2ccc(nc2)Br 62a_100009814236_100009831999 [0,2,0,0,0,0|2,0,0]=4 28403 B17R2.215 Nc1ccnc(c1)SCc2ccc(nc2)Br 62a_100009831999_100009814236 [0,2,0,0,0,0|2,0,0]=4 28404 B17R2.215 Nc1ccnc(c1)SCc2ccc(nc2)Cl 62a_100000735431_100009814236 [0,2,0,0,0,0|2,0,0]=4 28405 B17R2.215 Nc1ccnc(c1)SCc2ccc(nc2)Cl 62a_100009814236_100000735431 [0,2,0,0,0,0|2,0,0]=4 28406 B17R2.215 Nc1ccnc(c1)SCc2ccc(nc2)F 62a_100009814236_100000099788 [0,2,0,0,0,0|2,0,0]=4 28407 B17R2.215 Nc1ccnc(c1)SCc2ccc(nc2)F 62a_100009820150_100009814236 [0,2,0,0,0,0|2,0,0]=4 28408 B17R2.215 Nc1ccnc(n1)NCc2ccc(nc2)Br 27a_100009817727_100000757536 [0,2,0,0,0,0|2,0,0]=4 28409 B17R2.215 Nc1ccnc(n1)NCc2ccc(nc2)Cl 27a_100000735879_100000757536 [0,2,0,0,0,0|2,0,0]=4 28410 B17R2.215 Nc1ccnc(n1)NCc2ccc(nc2)F 27a_100000101913_100000757536 [0,2,0,0,0,0|2,0,0]=4 28411 B17R2.215 Nc1ccnc(n1)NCc2ccc(nc2)O 27a_100000757128_100000757536 [0,2,0,0,0,0|2,0,0]=4 28412 B17R2.215 Nc1cncc(c1)C=Cc2ccc(cc2)Br 271570a_100102527914_100000687067 [0,2,0,0,0,0|1,0,1]=4 28413 B17R2.215 Nc1cncc(c1)C=Cc2ccc(cc2)Cl 271570a_100102527930_100000687067 [0,2,0,0,0,0|1,0,1]=4 28414 B17R2.215 Nc1cncc(c1)C=Cc2ccc(cc2)F 271570a_100102525539_100000687067 [0,2,0,0,0,0|1,0,1]=4 28415 B17R2.215 Nc1cncc(c1)OCc2ccc(cc2)Br 34a_100011997051_100000189115 [0,2,0,0,0,0|2,0,0]=4 28416 B17R2.215 Nc1cncc(c1)OCc2ccc(cc2)Cl 34a_100011997051_100000694040 [0,2,0,0,0,0|2,0,0]=4 28417 B17R2.215 Nc1cncc(c1)OCc2ccc(cc2)F 34a_100011997051_100000198546 [0,2,0,0,0,0|2,0,0]=4 28418 B17R2.215 Nc1cncc(c1)OCc2ccc(cc2)I 34a_100011997051_100000189116 [0,2,0,0,0,0|2,0,0]=4 28419 B17R2.215 Nc1cncc(c1)OCc2ccc(nc2)Br 34a_100011997051_100009831999 [0,2,0,0,0,0|2,0,0]=4 28420 B17R2.215 Nc1cncc(c1)OCc2ccc(nc2)Cl 34a_100011997051_100000735431 [0,2,0,0,0,0|2,0,0]=4 28421 B17R2.215 Nc1cncc(c1)OCc2ccc(nc2)F 34a_100011997051_100000099788 [0,2,0,0,0,0|2,0,0]=4 28422 B17R2.215 Nc1cncc(c1)SCc2ccc(cc2)Br 62a_100000189115_100000687067 [0,2,0,0,0,0|2,0,0]=4 28423 B17R2.215 Nc1cncc(c1)SCc2ccc(cc2)Br 62a_100000687067_100000189115 [0,2,0,0,0,0|2,0,0]=4 28424 B17R2.215 Nc1cncc(c1)SCc2ccc(cc2)Cl 62a_100000187161_100000687067 [0,2,0,0,0,0|2,0,0]=4 28425 B17R2.215 Nc1cncc(c1)SCc2ccc(cc2)Cl 62a_100000687067_100000187161 [0,2,0,0,0,0|2,0,0]=4 28426 B17R2.215 Nc1cncc(c1)SCc2ccc(cc2)F 62a_100000198546_100000687067 [0,2,0,0,0,0|2,0,0]=4 28427 B17R2.215 Nc1cncc(c1)SCc2ccc(cc2)F 62a_100000687067_100000187164 [0,2,0,0,0,0|2,0,0]=4 28428 B17R2.215 Nc1cncc(c1)SCc2ccc(cc2)I 62a_100000189116_100000687067 [0,2,0,0,0,0|2,0,0]=4 28429 B17R2.215 Nc1cncc(c1)SCc2ccc(cc2)I 62a_100000687067_100000189116 [0,2,0,0,0,0|2,0,0]=4 28430 B17R2.215 Nc1cncc(c1)SCc2ccc(nc2)Br 62a_100000687067_100009831999 [0,2,0,0,0,0|2,0,0]=4 28431 B17R2.215 Nc1cncc(c1)SCc2ccc(nc2)Br 62a_100009831999_100000687067 [0,2,0,0,0,0|2,0,0]=4 28432 B17R2.215 Nc1cncc(c1)SCc2ccc(nc2)Cl 62a_100000687067_100000735431 [0,2,0,0,0,0|2,0,0]=4 28433 B17R2.215 Nc1cncc(c1)SCc2ccc(nc2)Cl 62a_100000735431_100000687067 [0,2,0,0,0,0|2,0,0]=4 28434 B17R2.215 Nc1cncc(c1)SCc2ccc(nc2)F 62a_100000687067_100000099788 [0,2,0,0,0,0|2,0,0]=4 28435 B17R2.215 Nc1cncc(c1)SCc2ccc(nc2)F 62a_100009820150_100000687067 [0,2,0,0,0,0|2,0,0]=4 28436 B17R2.215 Nc1nccc(n1)NCc2ccc(nc2)Br 27a_100009817727_100000055538 [0,2,0,0,0,0|2,0,0]=4 28437 B17R2.215 Nc1nccc(n1)NCc2ccc(nc2)Cl 27a_100000735879_100000055538 [0,2,0,0,0,0|2,0,0]=4 28438 B17R2.215 Nc1nccc(n1)NCc2ccc(nc2)F 27a_100000101913_100000055538 [0,2,0,0,0,0|2,0,0]=4 28439 B17R2.215 Nc1nccc(n1)NCc2ccc(nc2)O 27a_100000757128_100000055538 [0,2,0,0,0,0|2,0,0]=4 28440 B17R2.215 O=c1cc(cc[nH]1)NCc2ccc(cc2)Br 27a_100000174875_100000061649 [0,2,0,0,0,0|2,0,0]=4 28441 B17R2.215 O=c1cc(cc[nH]1)NCc2ccc(cc2)Cl 27a_100000174871_100000061649 [0,2,0,0,0,0|2,0,0]=4 28442 B17R2.215 O=c1cc(cc[nH]1)NCc2ccc(cc2)F 27a_100000174882_100000061649 [0,2,0,0,0,0|2,0,0]=4 28443 B17R2.215 O=c1cc(cc[nH]1)NCc2ccc(cc2)I 27a_100016989417_100000061649 [0,2,0,0,0,0|2,0,0]=4 28444 B17R2.215 O=c1cc(cc[nH]1)NCc2ccc(cc2)O 27a_100000185549_100000061649 [0,2,0,0,0,0|2,0,0]=4 28445 B17R2.215 O=c1cc(cc[nH]1)NCc2ccc(nc2)Br 27a_100009817727_100000061649 [0,2,0,0,0,0|1,0,0]=3 28446 B17R2.215 O=c1cc(cc[nH]1)NCc2ccc(nc2)Cl 27a_100000735879_100000061649 [0,2,0,0,0,0|1,0,0]=3 28447 B17R2.215 O=c1cc(cc[nH]1)NCc2ccc(nc2)F 27a_100000101913_100000061649 [0,2,0,0,0,0|1,0,0]=3 28448 B17R2.215 O=c1cc(cc[nH]1)NCc2ccc(nc2)O 27a_100000757128_100000061649 [0,2,0,0,0,0|1,0,0]=3 28449 B17R2.215 O=c1cc(cc[nH]1)OCc2ccc(nc2)Br 34a_100000032262_100009831999 [0,2,0,0,0,0|2,0,0]=4 28450 B17R2.215 O=c1cc(cc[nH]1)OCc2ccc(nc2)Cl 34a_100000032262_100000735431 [0,2,0,0,0,0|2,0,0]=4 28451 B17R2.215 O=c1cc(cc[nH]1)OCc2ccc(nc2)F 34a_100000032262_100000099788 [0,2,0,0,0,0|2,0,0]=4 28452 B17R2.215 O=c1cc(cc[nH]1)SCc2ccc(nc2)Br 62a_100009816521_100009831999 [0,2,0,0,0,0|2,0,0]=4 28453 B17R2.215 O=c1cc(cc[nH]1)SCc2ccc(nc2)Br 62a_100009831999_100009816521 [0,2,0,0,0,0|2,0,0]=4 28454 B17R2.215 O=c1cc(cc[nH]1)SCc2ccc(nc2)Cl 62a_100000735431_100009816521 [0,2,0,0,0,0|2,0,0]=4 28455 B17R2.215 O=c1cc(cc[nH]1)SCc2ccc(nc2)Cl 62a_100009816521_100000735431 [0,2,0,0,0,0|2,0,0]=4 28456 B17R2.215 O=c1cc(cc[nH]1)SCc2ccc(nc2)F 62a_100009816521_100000099788 [0,2,0,0,0,0|2,0,0]=4 28457 B17R2.215 O=c1cc(cc[nH]1)SCc2ccc(nc2)F 62a_100009820150_100009816521 [0,2,0,0,0,0|2,0,0]=4 28458 B17R2.215 O=c1cc[nH]c(c1)SCc2ccc(nc2)Br 62a_100009817434_100009831999 [0,2,0,0,0,0|2,0,0]=4 28459 B17R2.215 O=c1cc[nH]c(c1)SCc2ccc(nc2)Cl 62a_100009817434_100000735431 [0,2,0,0,0,0|2,0,0]=4 28460 B17R2.215 O=c1cc[nH]c(c1)SCc2ccc(nc2)F 62a_100009817434_100000099788 [0,2,0,0,0,0|2,0,0]=4 28461 B17R2.215 O=c1ccc(c[nH]1)OCc2cncc(c2)Br 34a_100000075641_100000738771 [0,2,0,0,0,0|2,0,0]=4 28462 B17R2.215 O=c1ccc(c[nH]1)OCc2cncc(c2)Cl 34a_100000075641_100016992070 [0,2,0,0,0,0|2,0,0]=4 28463 B17R2.215 O=c1ccc(c[nH]1)OCc2cncc(c2)F 34a_100000075641_100000725299 [0,2,0,0,0,0|2,0,0]=4 28464 B17R2.215 O=c1ccc(c[nH]1)SCc2cncc(c2)Br 62a_100000212171_100000738771 [0,2,0,0,0,0|2,0,0]=4 28465 B17R2.215 O=c1ccc(c[nH]1)SCc2cncc(c2)Br 62a_100000738771_100000212171 [0,2,0,0,0,0|2,0,0]=4 28466 B17R2.215 O=c1ccc(c[nH]1)SCc2cncc(c2)Cl 62a_100000212171_100016992070 [0,2,0,0,0,0|2,0,0]=4 28467 B17R2.215 O=c1ccc(c[nH]1)SCc2cncc(c2)Cl 62a_100016992070_100000212171 [0,2,0,0,0,0|2,0,0]=4 28468 B17R2.215 O=c1ccc(c[nH]1)SCc2cncc(c2)F 62a_100000212171_100000725299 [0,2,0,0,0,0|2,0,0]=4 28469 B17R2.215 O=c1ccc(c[nH]1)SCc2cncc(c2)F 62a_100000725299_100000212171 [0,2,0,0,0,0|2,0,0]=4 28470 B17R2.215 O=c1ccc(n[nH]1)CNc2cccc(c2)Br 207a_100000210019_100011361533 [0,2,0,0,0,0|1,0,1]=4 28471 B17R2.215 O=c1ccc(n[nH]1)CNc2cccc(c2)Cl 207a_100000185859_100011361533 [0,2,0,0,0,0|1,0,1]=4 28472 B17R2.215 O=c1ccc(n[nH]1)CNc2cccc(c2)F 207a_100000210047_100011361533 [0,2,0,0,0,0|1,0,1]=4 28473 B17R2.215 O=c1ccc(n[nH]1)CNc2cccc(c2)I 207a_100000211102_100011361533 [0,2,0,0,0,0|1,0,1]=4 28474 B17R2.215 O=c1cccc([nH]1)CNc2ccc(cc2)Br 207a_100000210018_100011935257 [0,2,0,0,0,0|2,0,0]=4 28475 B17R2.215 O=c1cccc([nH]1)CNc2ccc(cc2)Cl 207a_100000210052_100011935257 [0,2,0,0,0,0|2,0,0]=4 28476 B17R2.215 O=c1cccc([nH]1)CNc2ccc(cc2)F 207a_100000185862_100011935257 [0,2,0,0,0,0|2,0,0]=4 28477 B17R2.215 O=c1cccc([nH]1)CNc2ccc(cc2)I 207a_100000185761_100011935257 [0,2,0,0,0,0|2,0,0]=4 28478 B17R2.215 O=c1cccc([nH]1)OCc2ccc(nc2)Br 34a_100000033347_100009831999 [0,2,0,0,0,0|2,0,0]=4 28479 B17R2.215 O=c1cccc([nH]1)OCc2ccc(nc2)Cl 34a_100000033347_100000735431 [0,2,0,0,0,0|2,0,0]=4 28480 B17R2.215 O=c1cccc([nH]1)OCc2ccc(nc2)F 34a_100000033347_100000099788 [0,2,0,0,0,0|2,0,0]=4 28481 B17R2.215 O=c1cccc([nH]1)SCc2ccc(nc2)Br 62a_100009831999_100000752884 [0,2,0,0,0,0|2,0,0]=4 28482 B17R2.215 O=c1cccc([nH]1)SCc2ccc(nc2)Cl 62a_100000735431_100000752884 [0,2,0,0,0,0|2,0,0]=4 28483 B17R2.215 O=c1cccc([nH]1)SCc2ccc(nc2)F 62a_100009820150_100000752884 [0,2,0,0,0,0|2,0,0]=4 28484 B17R2.215 O=c1nc(cc[nH]1)NCc2ccc(nc2)Br 27a_100009817727_200000134032 [0,2,0,0,0,0|2,0,0]=4 28485 B17R2.215 O=c1nc(cc[nH]1)NCc2ccc(nc2)Cl 27a_100000735879_200000134032 [0,2,0,0,0,0|2,0,0]=4 28486 B17R2.215 O=c1nc(cc[nH]1)NCc2ccc(nc2)F 27a_100000101913_200000134032 [0,2,0,0,0,0|2,0,0]=4 28487 B17R2.215 O=c1nc(cc[nH]1)NCc2ccc(nc2)O 27a_100000757128_200000134032 [0,2,0,0,0,0|2,0,0]=4 28488 B17R2.215 Oc1cc(ccn1)CNc2ccc(cc2)Br 207a_100000210018_100000688113 [0,2,0,0,0,0|2,0,0]=4 28489 B17R2.215 Oc1cc(ccn1)CNc2ccc(cc2)Cl 207a_100000210052_100000688113 [0,2,0,0,0,0|2,0,0]=4 28490 B17R2.215 Oc1cc(ccn1)CNc2ccc(cc2)F 207a_100000185862_100000688113 [0,2,0,0,0,0|2,0,0]=4 28491 B17R2.215 Oc1cc(ccn1)CNc2ccc(cc2)I 207a_100000185761_100000688113 [0,2,0,0,0,0|2,0,0]=4 28492 B17R2.215 Oc1cc(ncn1)NCc2ccc(nc2)Br 27a_100009817727_100000765262 [0,2,0,0,0,0|2,0,0]=4 28493 B17R2.215 Oc1cc(ncn1)NCc2ccc(nc2)Cl 27a_100000735879_100000765262 [0,2,0,0,0,0|2,0,0]=4 28494 B17R2.215 Oc1cc(ncn1)NCc2ccc(nc2)F 27a_100000101913_100000765262 [0,2,0,0,0,0|2,0,0]=4 28495 B17R2.215 Oc1ccc(cc1)CNc2cc(ccn2)F 27a_100000185549_100000764206 [0,2,0,0,0,0|2,0,0]=4 28496 B17R2.215 Oc1ccc(cc1)CNc2cccc(n2)F 27a_100000185549_100009815982 [0,2,0,0,0,0|2,0,0]=4 28497 B17R2.215 Oc1ccc(cc1)CNc2ccnc(c2)F 27a_100000185549_100009816116 [0,2,0,0,0,0|2,0,0]=4 28498 B17R2.215 Oc1ccc(cc1)NCc2cc(ccn2)Br 34a_100000185829_100010173614 [0,2,0,0,0,0|2,0,0]=4 28499 B17R2.215 Oc1ccc(cc1)NCc2cc(ccn2)Cl 34a_100000185829_100016988179 [0,2,0,0,0,0|2,0,0]=4 28500 B17R2.215 Oc1ccc(cc1)NCc2cccc(c2)Br 270302a_100000185829_100000210085 [0,2,0,0,0,0|1,0,0]=3 28501 B17R2.215 Oc1ccc(cc1)NCc2cccc(c2)Br 34a_100000185829_100000698116 [0,2,0,0,0,0|1,0,0]=3 28502 B17R2.215 Oc1ccc(cc1)NCc2cccc(c2)Cl 270302a_100000185829_100000210801 [0,2,0,0,0,0|1,0,0]=3 28503 B17R2.215 Oc1ccc(cc1)NCc2cccc(c2)Cl 34a_100000185829_100000187163 [0,2,0,0,0,0|1,0,0]=3 28504 B17R2.215 Oc1ccc(cc1)NCc2cccc(c2)F 270302a_100000185829_100000210812 [0,2,0,0,0,0|1,0,0]=3 28505 B17R2.215 Oc1ccc(cc1)NCc2cccc(c2)F 34a_100000185829_100000187166 [0,2,0,0,0,0|1,0,0]=3 28506 B17R2.215 Oc1ccc(cc1)NCc2cccc(c2)I 270302a_100000185829_100000014684 [0,2,0,0,0,0|1,0,0]=3 28507 B17R2.215 Oc1ccc(cc1)NCc2cccc(c2)I 34a_100000185829_100011218688 [0,2,0,0,0,0|1,0,0]=3 28508 B17R2.215 Oc1ccc(cc1)NCc2cccc(c2)O 34a_100000185829_100011660834 [0,2,0,0,0,0|1,0,0]=3 28509 B17R2.215 Oc1ccc(cc1)NCc2cccc(n2)Br 34a_100000185829_100009889011 [0,2,0,0,0,0|2,0,0]=4 28510 B17R2.215 Oc1ccc(cc1)NCc2cccc(n2)Cl 34a_100000185829_100000086093 [0,2,0,0,0,0|2,0,0]=4 28511 B17R2.215 Oc1ccc(cc1)NCc2cccc(n2)F 34a_100000185829_100009819644 [0,2,0,0,0,0|2,0,0]=4 28512 B17R2.215 Oc1ccc(cc1)NCc2ccnc(c2)Br 34a_100000185829_100010243470 [0,2,0,0,0,0|2,0,0]=4 28513 B17R2.215 Oc1ccc(cc1)NCc2ccnc(c2)Cl 34a_100000185829_100000764220 [0,2,0,0,0,0|2,0,0]=4 28514 B17R2.215 Oc1ccc(cc1)NCc2cncc(c2)Br 270302a_100000185829_100000687066 [0,2,0,0,0,0|0,0,0]=2 28515 B17R2.215 Oc1ccc(cc1)NCc2cncc(c2)Br 34a_100000185829_100000738771 [0,2,0,0,0,0|0,0,0]=2 28516 B17R2.215 Oc1ccc(cc1)NCc2cncc(c2)Cl 270302a_100000185829_100000088910 [0,2,0,0,0,0|0,0,0]=2 28517 B17R2.215 Oc1ccc(cc1)NCc2cncc(c2)Cl 34a_100000185829_100016992070 [0,2,0,0,0,0|0,0,0]=2 28518 B17R2.215 Oc1ccc(cc1)NCc2cncc(c2)F 270302a_100000185829_100011361476 [0,2,0,0,0,0|0,0,0]=2 28519 B17R2.215 Oc1ccc(cc1)NCc2cncc(c2)F 34a_100000185829_100000725299 [0,2,0,0,0,0|0,0,0]=2 28520 B17R2.215 Oc1ccc(cc1)SCc2cccc(c2)Br 62a_100000211773_100000185759 [0,2,0,0,0,0|2,0,0]=4 28521 B17R2.215 Oc1ccc(cc1)SCc2cccc(c2)Cl 62a_100000187163_100000185759 [0,2,0,0,0,0|2,0,0]=4 28522 B17R2.215 Oc1ccc(cc1)SCc2cccc(c2)F 62a_100000230114_100000185759 [0,2,0,0,0,0|2,0,0]=4 28523 B17R2.215 Oc1ccc(cc1)SCc2cccc(c2)I 62a_100011218688_100000185759 [0,2,0,0,0,0|2,0,0]=4 28524 B17R2.215 Oc1ccc(cc1)SCc2cccc(c2)O 62a_100011660834_100000185759 [0,2,0,0,0,0|2,0,0]=4 28525 B17R2.215 Oc1ccc(cc1)SCc2cncc(c2)Br 62a_100000738771_100000185759 [0,2,0,0,0,0|1,0,0]=3 28526 B17R2.215 Oc1ccc(cc1)SCc2cncc(c2)Cl 62a_100016992070_100000185759 [0,2,0,0,0,0|1,0,0]=3 28527 B17R2.215 Oc1ccc(cc1)SCc2cncc(c2)F 62a_100000725299_100000185759 [0,2,0,0,0,0|1,0,0]=3 28528 B17R2.215 Oc1ccc(cn1)CNc2cc(ccn2)F 27a_100000757128_100000764206 [0,2,0,0,0,0|1,0,0]=3 28529 B17R2.215 Oc1ccc(cn1)CNc2cc(ncn2)F 27a_100000757128_200009880791 [0,2,0,0,0,0|2,0,0]=4 28530 B17R2.215 Oc1ccc(cn1)CNc2cc(ncn2)O 27a_100000757128_100000765262 [0,2,0,0,0,0|2,0,0]=4 28531 B17R2.215 Oc1ccc(cn1)CNc2cccc(c2)Br 207a_100000210019_100011361521 [0,2,0,0,0,0|0,0,0]=2 28532 B17R2.215 Oc1ccc(cn1)CNc2cccc(c2)Br 270302a_100000210019_100011361521 [0,2,0,0,0,0|0,0,0]=2 28533 B17R2.215 Oc1ccc(cn1)CNc2cccc(c2)Cl 207a_100000185859_100011361521 [0,2,0,0,0,0|0,0,0]=2 28534 B17R2.215 Oc1ccc(cn1)CNc2cccc(c2)Cl 270302a_100000185859_100011361521 [0,2,0,0,0,0|0,0,0]=2 28535 B17R2.215 Oc1ccc(cn1)CNc2cccc(c2)F 207a_100000210047_100011361521 [0,2,0,0,0,0|0,0,0]=2 28536 B17R2.215 Oc1ccc(cn1)CNc2cccc(c2)F 270302a_100000210047_100011361521 [0,2,0,0,0,0|0,0,0]=2 28537 B17R2.215 Oc1ccc(cn1)CNc2cccc(c2)I 207a_100000211102_100011361521 [0,2,0,0,0,0|0,0,0]=2 28538 B17R2.215 Oc1ccc(cn1)CNc2cccc(c2)I 270302a_100000211102_100011361521 [0,2,0,0,0,0|0,0,0]=2 28539 B17R2.215 Oc1ccc(cn1)CNc2cccc(n2)F 27a_100000757128_100009815982 [0,2,0,0,0,0|1,0,0]=3 28540 B17R2.215 Oc1ccc(cn1)CNc2ccnc(c2)F 27a_100000757128_100009816116 [0,2,0,0,0,0|1,0,0]=3 28541 B17R2.215 Oc1ccc(cn1)CNc2cncc(n2)Cl 27a_100000757128_100010892449 [0,2,0,0,0,0|2,0,0]=4 28542 B17R2.215 Oc1ccc(cn1)CNc2cncc(n2)F 27a_100000757128_200009863489 [0,2,0,0,0,0|2,0,0]=4 28543 B17R2.215 Oc1ccc(cn1)CNc2nccc(n2)O 27a_100000757128_100011649813 [0,2,0,0,0,0|2,0,0]=4 28544 B17R2.215 Oc1ccc(nc1)SCc2cncc(c2)Br 62a_100000685995_100000738771 [0,2,0,0,0,0|2,0,0]=4 28545 B17R2.215 Oc1ccc(nc1)SCc2cncc(c2)Br 62a_100000738771_100000744096 [0,2,0,0,0,0|2,0,0]=4 28546 B17R2.215 Oc1ccc(nc1)SCc2cncc(c2)Cl 62a_100000685995_100016992070 [0,2,0,0,0,0|2,0,0]=4 28547 B17R2.215 Oc1ccc(nc1)SCc2cncc(c2)Cl 62a_100016992070_100000744096 [0,2,0,0,0,0|2,0,0]=4 28548 B17R2.215 Oc1ccc(nc1)SCc2cncc(c2)F 62a_100000685995_100000725299 [0,2,0,0,0,0|2,0,0]=4 28549 B17R2.215 Oc1ccc(nc1)SCc2cncc(c2)F 62a_100000725299_100000744096 [0,2,0,0,0,0|2,0,0]=4 28550 B17R2.215 Oc1cccc(c1)CNc2ccc(cc2)Br 207a_100000210018_100000188321 [0,2,0,0,0,0|1,0,0]=3 28551 B17R2.215 Oc1cccc(c1)CNc2ccc(cc2)Br 2230a_100000210018_100011660834 [0,2,0,0,0,0|1,0,0]=3 28552 B17R2.215 Oc1cccc(c1)CNc2ccc(cc2)Br 34a_100000210018_100011660834 [0,2,0,0,0,0|1,0,0]=3 28553 B17R2.215 Oc1cccc(c1)CNc2ccc(cc2)Cl 207a_100000210052_100000188321 [0,2,0,0,0,0|1,0,0]=3 28554 B17R2.215 Oc1cccc(c1)CNc2ccc(cc2)Cl 2230a_100000210052_100011660834 [0,2,0,0,0,0|1,0,0]=3 28555 B17R2.215 Oc1cccc(c1)CNc2ccc(cc2)Cl 34a_100000210052_100011660834 [0,2,0,0,0,0|1,0,0]=3 28556 B17R2.215 Oc1cccc(c1)CNc2ccc(cc2)F 207a_100000185862_100000188321 [0,2,0,0,0,0|1,0,0]=3 28557 B17R2.215 Oc1cccc(c1)CNc2ccc(cc2)F 34a_100000185862_100011660834 [0,2,0,0,0,0|1,0,0]=3 28558 B17R2.215 Oc1cccc(c1)CNc2ccc(cc2)I 207a_100000185761_100000188321 [0,2,0,0,0,0|1,0,0]=3 28559 B17R2.215 Oc1cccc(c1)CNc2ccc(cc2)I 34a_100000185761_100011660834 [0,2,0,0,0,0|1,0,0]=3 28560 B17R2.215 Oc1cccc(c1)CNc2ccc(cn2)Br 27a_100000743036_100000686858 [0,2,0,0,0,0|2,0,0]=4 28561 B17R2.215 Oc1cccc(c1)COc2ccc(cc2)Br 34a_100000185759_100011660834 [0,2,0,0,0,0|2,0,0]=4 28562 B17R2.215 Oc1cccc(c1)COc2ccc(cc2)Br 7a_100000185759_100000084143 [0,2,0,0,0,0|2,0,0]=4 28563 B17R2.215 Oc1cccc(c1)COc2ccc(cc2)Cl 34a_100000210216_100011660834 [0,2,0,0,0,0|2,0,0]=4 28564 B17R2.215 Oc1cccc(c1)COc2ccc(cc2)Cl 7a_100000210216_100000084143 [0,2,0,0,0,0|2,0,0]=4 28565 B17R2.215 Oc1cccc(c1)COc2ccc(cc2)F 34a_100000210339_100011660834 [0,2,0,0,0,0|2,0,0]=4 28566 B17R2.215 Oc1cccc(c1)COc2ccc(cc2)I 34a_100000212066_100011660834 [0,2,0,0,0,0|2,0,0]=4 28567 B17R2.215 Oc1cccc(c1)COc2ccc(cc2)I 7a_100000212066_100000084143 [0,2,0,0,0,0|2,0,0]=4 28568 B17R2.215 Oc1cccc(c1)COc2ccc(nc2)Br 34a_100000685995_100011660834 [0,2,0,0,0,0|2,0,0]=4 28569 B17R2.215 Oc1cccc(c1)COc2ccc(nc2)Br 7a_100000685995_100000084143 [0,2,0,0,0,0|2,0,0]=4 28570 B17R2.215 Oc1cccc(c1)COc2ccc(nc2)Cl 34a_100000744096_100011660834 [0,2,0,0,0,0|2,0,0]=4 28571 B17R2.215 Oc1cccc(c1)COc2ccc(nc2)Cl 7a_100000744096_100000084143 [0,2,0,0,0,0|2,0,0]=4 28572 B17R2.215 Oc1cccc(c1)COc2ccc(nc2)F 34a_100000688820_100011660834 [0,2,0,0,0,0|2,0,0]=4 28573 B17R2.215 Oc1cccc(c1)COc2ccc(nc2)F 7a_100000688820_100000084143 [0,2,0,0,0,0|2,0,0]=4 28574 B17R2.215 Oc1cccc(c1)COc2ccc(nc2)I 34a_100000687607_100011660834 [0,2,0,0,0,0|2,0,0]=4 28575 B17R2.215 Oc1cccc(c1)COc2ccc(nc2)I 7a_100000687607_100000084143 [0,2,0,0,0,0|2,0,0]=4 28576 B17R2.215 Oc1cccc(c1)CSc2ccc(cc2)Br 62a_100000752885_100011660834 [0,2,0,0,0,0|2,0,0]=4 28577 B17R2.215 Oc1cccc(c1)CSc2ccc(cc2)Br 62a_100011660834_100000752885 [0,2,0,0,0,0|2,0,0]=4 28578 B17R2.215 Oc1cccc(c1)CSc2ccc(cc2)Cl 62a_100000755918_100011660834 [0,2,0,0,0,0|2,0,0]=4 28579 B17R2.215 Oc1cccc(c1)CSc2ccc(cc2)Cl 62a_100011660834_100000755918 [0,2,0,0,0,0|2,0,0]=4 28580 B17R2.215 Oc1cccc(c1)CSc2ccc(cc2)F 62a_100000211213_100011660834 [0,2,0,0,0,0|2,0,0]=4 28581 B17R2.215 Oc1cccc(c1)CSc2ccc(cc2)F 62a_100011660834_100000211213 [0,2,0,0,0,0|2,0,0]=4 28582 B17R2.215 Oc1cccc(c1)CSc2ccc(nc2)Br 62a_100009814638_100011660834 [0,2,0,0,0,0|2,0,0]=4 28583 B17R2.215 Oc1cccc(c1)CSc2ccc(nc2)Br 62a_100011660834_100009814638 [0,2,0,0,0,0|2,0,0]=4 28584 B17R2.215 Oc1cccc(c1)CSc2ccc(nc2)Cl 62a_100000034144_100011660834 [0,2,0,0,0,0|2,0,0]=4 28585 B17R2.215 Oc1cccc(c1)CSc2ccc(nc2)Cl 62a_100011660834_100000034144 [0,2,0,0,0,0|2,0,0]=4 28586 B17R2.215 Oc1cccc(c1)CSc2ccc(nc2)F 62a_100000042367_100011660834 [0,2,0,0,0,0|2,0,0]=4 28587 B17R2.215 Oc1cccc(c1)CSc2ccc(nc2)F 62a_100011660834_100000042367 [0,2,0,0,0,0|2,0,0]=4 28588 B17R2.215 Oc1cccc(c1)NCc2ccc(cc2)Br 270302a_100000210217_100000186029 [0,2,0,0,0,0|1,0,0]=3 28589 B17R2.215 Oc1cccc(c1)NCc2ccc(cc2)Br 34a_100000210217_100000189115 [0,2,0,0,0,0|1,0,0]=3 28590 B17R2.215 Oc1cccc(c1)NCc2ccc(cc2)Cl 270302a_100000210217_100000189385 [0,2,0,0,0,0|1,0,0]=3 28591 B17R2.215 Oc1cccc(c1)NCc2ccc(cc2)Cl 34a_100000210217_100000694040 [0,2,0,0,0,0|1,0,0]=3 28592 B17R2.215 Oc1cccc(c1)NCc2ccc(cc2)F 270302a_100000210217_100000210084 [0,2,0,0,0,0|1,0,0]=3 28593 B17R2.215 Oc1cccc(c1)NCc2ccc(cc2)F 34a_100000210217_100000198546 [0,2,0,0,0,0|1,0,0]=3 28594 B17R2.215 Oc1cccc(c1)NCc2ccc(cc2)I 270302a_100000210217_100000188517 [0,2,0,0,0,0|1,0,0]=3 28595 B17R2.215 Oc1cccc(c1)NCc2ccc(cc2)I 34a_100000210217_100000189116 [0,2,0,0,0,0|1,0,0]=3 28596 B17R2.215 Oc1cccc(c1)NCc2ccc(cn2)Br 270302a_100000210217_100000754260 [0,2,0,0,0,0|2,0,0]=4 28597 B17R2.215 Oc1cccc(c1)NCc2ccc(cn2)Br 34a_100000210217_100000702658 [0,2,0,0,0,0|2,0,0]=4 28598 B17R2.215 Oc1cccc(c1)NCc2ccc(cn2)Cl 270302a_100000210217_100011361569 [0,2,0,0,0,0|2,0,0]=4 28599 B17R2.215 Oc1cccc(c1)NCc2ccc(cn2)Cl 34a_100000210217_100012066911 [0,2,0,0,0,0|2,0,0]=4 28600 B17R2.215 Oc1cccc(c1)NCc2ccc(cn2)F 34a_100000210217_100000703193 [0,2,0,0,0,0|2,0,0]=4 28601 B17R2.215 Oc1cccc(c1)NCc2ccc(nc2)Br 34a_100000210217_100009831999 [0,2,0,0,0,0|0,0,0]=2 28602 B17R2.215 Oc1cccc(c1)NCc2ccc(nc2)Cl 270302a_100000210217_100000766901 [0,2,0,0,0,0|0,0,0]=2 28603 B17R2.215 Oc1cccc(c1)NCc2ccc(nc2)Cl 34a_100000210217_100000735431 [0,2,0,0,0,0|0,0,0]=2 28604 B17R2.215 Oc1cccc(c1)NCc2ccc(nc2)F 270302a_100000210217_100000068566 [0,2,0,0,0,0|0,0,0]=2 28605 B17R2.215 Oc1cccc(c1)NCc2ccc(nc2)F 34a_100000210217_100000099788 [0,2,0,0,0,0|0,0,0]=2 28606 B17R2.215 Oc1cccc(c1)NCc2ccc(nc2)O 270302a_100000210217_100011361521 [0,2,0,0,0,0|0,0,0]=2 28607 B17R2.215 Oc1cccc(c1)NCc2ccc(nn2)Cl 34a_100000210217_100016992710 [0,2,0,0,0,0|1,0,0]=3 28608 B17R2.215 Oc1cccc(c1)OCc2ccc(cc2)F 271570a_203496583355_200000151844 [0,2,0,0,0,0|2,0,0]=4 28609 B17R2.215 Oc1cccc(c1)SCc2ccc(cc2)Br 62a_100000189115_100000211634 [0,2,0,0,0,0|2,0,0]=4 28610 B17R2.215 Oc1cccc(c1)SCc2ccc(cc2)Cl 62a_100000187161_100000211634 [0,2,0,0,0,0|2,0,0]=4 28611 B17R2.215 Oc1cccc(c1)SCc2ccc(cc2)F 62a_100000198546_100000211634 [0,2,0,0,0,0|2,0,0]=4 28612 B17R2.215 Oc1cccc(c1)SCc2ccc(cc2)I 62a_100000189116_100000211634 [0,2,0,0,0,0|2,0,0]=4 28613 B17R2.215 Oc1cccc(c1)SCc2ccc(nc2)Br 62a_100009831999_100000211634 [0,2,0,0,0,0|1,0,0]=3 28614 B17R2.215 Oc1cccc(c1)SCc2ccc(nc2)Cl 62a_100000735431_100000211634 [0,2,0,0,0,0|1,0,0]=3 28615 B17R2.215 Oc1cccc(c1)SCc2ccc(nc2)F 62a_100009820150_100000211634 [0,2,0,0,0,0|1,0,0]=3 28616 B17R2.215 Oc1cccc(c1)SCc2ccc(nn2)Cl 62a_100016992710_100000211634 [0,2,0,0,0,0|2,0,0]=4 28617 B17R2.215 Oc1ccnc(c1)SCc2ccc(nc2)Br 62a_100009831999_100000762945 [0,2,0,0,0,0|2,0,0]=4 28618 B17R2.215 Oc1ccnc(c1)SCc2ccc(nc2)Cl 62a_100000735431_100000762945 [0,2,0,0,0,0|2,0,0]=4 28619 B17R2.215 Oc1ccnc(c1)SCc2ccc(nc2)F 62a_100009820150_100000762945 [0,2,0,0,0,0|2,0,0]=4 28620 B17R2.215 Oc1ccnc(n1)NCc2ccc(nc2)Br 27a_100009817727_100011649813 [0,2,0,0,0,0|2,0,0]=4 28621 B17R2.215 Oc1ccnc(n1)NCc2ccc(nc2)Cl 27a_100000735879_100011649813 [0,2,0,0,0,0|2,0,0]=4 28622 B17R2.215 Oc1ccnc(n1)NCc2ccc(nc2)F 27a_100000101913_100011649813 [0,2,0,0,0,0|2,0,0]=4 28623 B17R2.215 Oc1cncc(c1)C=Cc2ccc(cc2)Br 271570a_100102527914_100000754920 [0,2,0,0,0,0|1,0,1]=4 28624 B17R2.215 Oc1cncc(c1)C=Cc2ccc(cc2)Cl 271570a_100102527930_100000754920 [0,2,0,0,0,0|1,0,1]=4 28625 B17R2.215 Oc1cncc(c1)C=Cc2ccc(cc2)F 271570a_100102525539_100000754920 [0,2,0,0,0,0|1,0,1]=4 28626 B17R2.215 Oc1cncc(c1)CNc2ccc(cc2)Br 207a_100000210018_100012187055 [0,2,0,0,0,0|0,0,0]=2 28627 B17R2.215 Oc1cncc(c1)CNc2ccc(cc2)Cl 207a_100000210052_100012187055 [0,2,0,0,0,0|0,0,0]=2 28628 B17R2.215 Oc1cncc(c1)CNc2ccc(cc2)F 207a_100000185862_100012187055 [0,2,0,0,0,0|0,0,0]=2 28629 B17R2.215 Oc1cncc(c1)CNc2ccc(cc2)I 207a_100000185761_100012187055 [0,2,0,0,0,0|0,0,0]=2 28630 B17R2.215 Oc1cncc(c1)SCc2ccc(cc2)Br 62a_100000189115_100000754920 [0,2,0,0,0,0|2,0,0]=4 28631 B17R2.215 Oc1cncc(c1)SCc2ccc(cc2)Br 62a_100000754920_100000189115 [0,2,0,0,0,0|2,0,0]=4 28632 B17R2.215 Oc1cncc(c1)SCc2ccc(cc2)Cl 62a_100000187161_100000754920 [0,2,0,0,0,0|2,0,0]=4 28633 B17R2.215 Oc1cncc(c1)SCc2ccc(cc2)Cl 62a_100000754920_100000187161 [0,2,0,0,0,0|2,0,0]=4 28634 B17R2.215 Oc1cncc(c1)SCc2ccc(cc2)F 62a_100000198546_100000754920 [0,2,0,0,0,0|2,0,0]=4 28635 B17R2.215 Oc1cncc(c1)SCc2ccc(cc2)F 62a_100000754920_100000187164 [0,2,0,0,0,0|2,0,0]=4 28636 B17R2.215 Oc1cncc(c1)SCc2ccc(cc2)I 62a_100000189116_100000754920 [0,2,0,0,0,0|2,0,0]=4 28637 B17R2.215 Oc1cncc(c1)SCc2ccc(cc2)I 62a_100000754920_100000189116 [0,2,0,0,0,0|2,0,0]=4 28638 B17R2.215 Oc1cncc(c1)SCc2ccc(nc2)Br 62a_100000754920_100009831999 [0,2,0,0,0,0|2,0,0]=4 28639 B17R2.215 Oc1cncc(c1)SCc2ccc(nc2)Br 62a_100009831999_100000754920 [0,2,0,0,0,0|2,0,0]=4 28640 B17R2.215 Oc1cncc(c1)SCc2ccc(nc2)Cl 62a_100000735431_100000754920 [0,2,0,0,0,0|2,0,0]=4 28641 B17R2.215 Oc1cncc(c1)SCc2ccc(nc2)Cl 62a_100000754920_100000735431 [0,2,0,0,0,0|2,0,0]=4 28642 B17R2.215 Oc1cncc(c1)SCc2ccc(nc2)F 62a_100000754920_100000099788 [0,2,0,0,0,0|2,0,0]=4 28643 B17R2.215 Oc1cncc(c1)SCc2ccc(nc2)F 62a_100009820150_100000754920 [0,2,0,0,0,0|2,0,0]=4 28644 B17R2.215 [O-][n+]1ccc(cc1)SCc2cncc(c2)Br 62a_100000738771_100000039755 [0,2,0,0,0,0|2,0,0]=4 28645 B17R2.215 [O-][n+]1ccc(cc1)SCc2cncc(c2)Cl 62a_100016992070_100000039755 [0,2,0,0,0,0|2,0,0]=4 28646 B17R2.215 [O-][n+]1ccc(cc1)SCc2cncc(c2)F 62a_100000725299_100000039755 [0,2,0,0,0,0|2,0,0]=4 28647 B17R2.215 [O-][n+]1cccc(c1)OCc2ccc(nc2)Br 34a_100000039713_100009831999 [0,2,0,0,0,0|2,0,0]=4 28648 B17R2.215 [O-][n+]1cccc(c1)OCc2ccc(nc2)Br 7a_100000039713_100009831999 [0,2,0,0,0,0|2,0,0]=4 28649 B17R2.215 [O-][n+]1cccc(c1)OCc2ccc(nc2)Cl 34a_100000039713_100000735431 [0,2,0,0,0,0|2,0,0]=4 28650 B17R2.215 [O-][n+]1cccc(c1)OCc2ccc(nc2)Cl 7a_100000039713_100000735431 [0,2,0,0,0,0|2,0,0]=4 28651 B17R2.215 [O-][n+]1cccc(c1)OCc2ccc(nc2)F 34a_100000039713_100000099788 [0,2,0,0,0,0|2,0,0]=4 28652 B17R2.215 [O-][n+]1cccc(c1)OCc2ccc(nc2)F 7a_100000039713_100009820150 [0,2,0,0,0,0|2,0,0]=4 28653 B17R2.215 [O-][n+]1cccc(c1)SCc2ccc(nc2)Br 62a_100009831999_100009815978 [0,2,0,0,0,0|2,0,0]=4 28654 B17R2.215 [O-][n+]1cccc(c1)SCc2ccc(nc2)Cl 62a_100000735431_100009815978 [0,2,0,0,0,0|2,0,0]=4 28655 B17R2.215 [O-][n+]1cccc(c1)SCc2ccc(nc2)F 62a_100009820150_100009815978 [0,2,0,0,0,0|2,0,0]=4 28656 B17R2.215 [O-][n+]1ccnc(c1)NCc2ccc(nc2)Br 27a_100009817727_100009880115 [0,2,0,0,0,0|2,0,0]=4 28657 B17R2.215 [O-][n+]1ccnc(c1)NCc2ccc(nc2)Cl 27a_100000735879_100009880115 [0,2,0,0,0,0|2,0,0]=4 28658 B17R2.215 [O-][n+]1ccnc(c1)NCc2ccc(nc2)F 27a_100000101913_100009880115 [0,2,0,0,0,0|2,0,0]=4 28659 B17R2.215 [O-][n+]1ccnc(c1)NCc2ccc(nc2)O 27a_100000757128_100009880115 [0,2,0,0,0,0|2,0,0]=4 28660 B17R2.215 [S]c1cccc(c1)SCc2ccc(cc2)Br 62a_100000189115_114929384022 [0,2,0,0,0,0|2,0,0]=4 28661 B17R2.215 [S]c1cccc(c1)SCc2ccc(cc2)Br 62a_114929384022_100000189115 [0,2,0,0,0,0|2,0,0]=4 28662 B17R2.215 [S]c1cccc(c1)SCc2ccc(cc2)Cl 62a_100000187161_114929384022 [0,2,0,0,0,0|2,0,0]=4 28663 B17R2.215 [S]c1cccc(c1)SCc2ccc(cc2)Cl 62a_114929384022_100000187161 [0,2,0,0,0,0|2,0,0]=4 28664 B17R2.215 [S]c1cccc(c1)SCc2ccc(cc2)I 62a_100000189116_114929384022 [0,2,0,0,0,0|2,0,0]=4 28665 B17R2.215 [S]c1cccc(c1)SCc2ccc(cc2)I 62a_114929384022_100000189116 [0,2,0,0,0,0|2,0,0]=4 28666 B17R2.215 [S]c1cccc(c1)SCc2ccc(nc2)Br 62a_100009831999_114929384022 [0,2,0,0,0,0|1,0,0]=3 28667 B17R2.215 [S]c1cccc(c1)SCc2ccc(nc2)Br 62a_114929384022_100009831999 [0,2,0,0,0,0|1,0,0]=3 28668 B17R2.215 [S]c1cccc(c1)SCc2ccc(nc2)Cl 62a_100000735431_114929384022 [0,2,0,0,0,0|1,0,0]=3 28669 B17R2.215 [S]c1cccc(c1)SCc2ccc(nc2)Cl 62a_114929384022_100000735431 [0,2,0,0,0,0|1,0,0]=3 28670 B17R2.215 [S]c1cccc(c1)SCc2ccc(nn2)Cl 62a_100016992710_114929384022 [0,2,0,0,0,0|2,0,0]=4 28671 B17R2.215 [S]c1cccc(c1)SCc2ccc(nn2)Cl 62a_114929384022_100016992710 [0,2,0,0,0,0|2,0,0]=4 28672 B17R2.1819 BrCc1cccc(c1)OCc2ccccc2 34a_100011660834_100015291786 [0,2,0,0,0,0|2,0,0]=4 28673 B17R2.1819 BrCc1cccc(c1)OCc2ccccc2 7a_100011660834_100000211182 [0,2,0,0,0,0|2,0,0]=4 28674 B17R2.1819 BrCc1cccc(c1)OCc2cccnc2 34a_100011660834_100000733263 [0,2,0,0,0,0|1,0,0]=3 28675 B17R2.1819 BrCc1cccc(c1)OCc2cccnc2 7a_100011660834_100000741622 [0,2,0,0,0,0|1,0,0]=3 28676 B17R2.1819 BrCc1cccc(c1)OCc2cccnn2 34a_100011660834_100016990269 [0,2,0,0,0,0|2,0,0]=4 28677 B17R2.1819 BrCc1cccc(c1)OCc2cccnn2 7a_100011660834_100016990269 [0,2,0,0,0,0|2,0,0]=4 28678 B17R2.1819 BrCc1cccc(c1)OCc2cnccn2 34a_100011660834_100016995436 [0,2,0,0,0,0|2,0,0]=4 28679 B17R2.1819 BrCc1cccc(c1)OCc2cnccn2 7a_100011660834_100016995436 [0,2,0,0,0,0|2,0,0]=4 28680 B17R2.1819 BrCc1cccc(c1)OCc2cncnc2 34a_100011660834_100015196519 [0,2,0,0,0,0|2,0,0]=4 28681 B17R2.1819 BrCc1cccc(c1)OCc2cncnc2 7a_100011660834_100015196519 [0,2,0,0,0,0|2,0,0]=4 28682 B17R2.1819 C#Cc1cccc(c1)CNc2ccccc2 207a_100000106764_100011361529 [0,2,0,0,0,0|1,0,0]=3 28683 B17R2.1819 C#Cc1cccc(c1)NCc2ccccc2 207a_100000735509_100015611070 [0,2,0,0,0,0|1,0,0]=3 28684 B17R2.1819 C#Cc1cccc(c1)NCc2ccccc2 2230a_100000735509_100015291786 [0,2,0,0,0,0|1,0,0]=3 28685 B17R2.1819 C#Cc1cccc(c1)NCc2ccccc2 34a_100000735509_100015291786 [0,2,0,0,0,0|1,0,0]=3 28686 B17R2.1819 C#Cc1cccc(c1)NCc2ccccn2 207a_100000735509_100000209966 [0,2,0,0,0,0|2,0,0]=4 28687 B17R2.1819 C#Cc1cccc(c1)NCc2ccccn2 2230a_100000735509_100000721315 [0,2,0,0,0,0|2,0,0]=4 28688 B17R2.1819 C#Cc1cccc(c1)NCc2ccccn2 34a_100000735509_100000721315 [0,2,0,0,0,0|2,0,0]=4 28689 B17R2.1819 C#Cc1cccc(c1)NCc2cccnc2 207a_100000735509_100000209961 [0,2,0,0,0,0|0,0,0]=2 28690 B17R2.1819 C#Cc1cccc(c1)NCc2cccnc2 2230a_100000735509_100000741622 [0,2,0,0,0,0|0,0,0]=2 28691 B17R2.1819 C#Cc1cccc(c1)NCc2cccnc2 34a_100000735509_100000733263 [0,2,0,0,0,0|0,0,0]=2 28692 B17R2.1819 C#Cc1cccc(c1)NCc2cccnn2 2230a_100000735509_100016990269 [0,2,0,0,0,0|1,0,0]=3 28693 B17R2.1819 C#Cc1cccc(c1)NCc2cccnn2 34a_100000735509_100016990269 [0,2,0,0,0,0|1,0,0]=3 28694 B17R2.1819 C#Cc1cccc(c1)NCc2ccncc2 207a_100000735509_100000186114 [0,2,0,0,0,0|2,0,0]=4 28695 B17R2.1819 C#Cc1cccc(c1)NCc2ccncc2 2230a_100000735509_100015193705 [0,2,0,0,0,0|2,0,0]=4 28696 B17R2.1819 C#Cc1cccc(c1)NCc2cnccn2 2230a_100000735509_100016995436 [0,2,0,0,0,0|1,0,0]=3 28697 B17R2.1819 C#Cc1cccc(c1)NCc2cnccn2 34a_100000735509_100016995436 [0,2,0,0,0,0|1,0,0]=3 28698 B17R2.1819 C#Cc1cccc(c1)NCc2cncnc2 2230a_100000735509_100015196519 [0,2,0,0,0,0|1,0,0]=3 28699 B17R2.1819 C#Cc1cccc(c1)NCc2cncnc2 34a_100000735509_100015196519 [0,2,0,0,0,0|1,0,0]=3 28700 B17R2.1819 C#Cc1cccc(c1)OCc2ccccc2 34a_100011216014_100015291786 [0,2,0,0,0,0|2,0,0]=4 28701 B17R2.1819 C#Cc1cccc(c1)OCc2ccccc2 7a_100011216014_100000211182 [0,2,0,0,0,0|2,0,0]=4 28702 B17R2.1819 C#Cc1cccc(c1)OCc2cccnc2 34a_100011216014_100000733263 [0,2,0,0,0,0|1,0,0]=3 28703 B17R2.1819 C#Cc1cccc(c1)OCc2cccnc2 7a_100011216014_100000741622 [0,2,0,0,0,0|1,0,0]=3 28704 B17R2.1819 C#Cc1cccc(c1)OCc2cccnn2 34a_100011216014_100016990269 [0,2,0,0,0,0|2,0,0]=4 28705 B17R2.1819 C#Cc1cccc(c1)OCc2cccnn2 7a_100011216014_100016990269 [0,2,0,0,0,0|2,0,0]=4 28706 B17R2.1819 C#Cc1cccc(c1)OCc2cnccn2 34a_100011216014_100016995436 [0,2,0,0,0,0|2,0,0]=4 28707 B17R2.1819 C#Cc1cccc(c1)OCc2cnccn2 7a_100011216014_100016995436 [0,2,0,0,0,0|2,0,0]=4 28708 B17R2.1819 C#Cc1cccc(c1)OCc2cncnc2 34a_100011216014_100015196519 [0,2,0,0,0,0|2,0,0]=4 28709 B17R2.1819 C#Cc1cccc(c1)OCc2cncnc2 7a_100011216014_100015196519 [0,2,0,0,0,0|2,0,0]=4 28710 B17R2.1819 C=Cc1cc(ccn1)SCc2cccnc2 62a_100000741622_100009845566 [0,2,0,0,0,0|2,0,0]=4 28711 B17R2.1819 C=Cc1cc(ccn1)SCc2cccnc2 62a_100009845566_100000741622 [0,2,0,0,0,0|2,0,0]=4 28712 B17R2.1819 C=Cc1cccc(c1)CNc2ccccc2 270302a_100000106764_100011218069 [0,2,0,0,0,0|1,0,0]=3 28713 B17R2.1819 C=Cc1cccc(c1)COc2ccccc2 271570a_100011290941_100000173242 [0,2,0,0,0,0|2,0,0]=4 28714 B17R2.1819 C=Cc1cccc(c1)NCc2ccccc2 207a_100011827668_100015611070 [0,2,0,0,0,0|1,0,0]=3 28715 B17R2.1819 C=Cc1cccc(c1)NCc2ccccc2 270302a_100011827668_100015611070 [0,2,0,0,0,0|1,0,0]=3 28716 B17R2.1819 C=Cc1cccc(c1)NCc2ccccc2 271570a_100011290941_100000224063 [0,2,0,0,0,0|1,0,0]=3 28717 B17R2.1819 C=Cc1cccc(c1)NCc2ccccc2 34a_100011827668_100015291786 [0,2,0,0,0,0|1,0,0]=3 28718 B17R2.1819 C=Cc1cccc(c1)NCc2ccccn2 207a_100011827668_100000209966 [0,2,0,0,0,0|2,0,0]=4 28719 B17R2.1819 C=Cc1cccc(c1)NCc2ccccn2 270302a_100011827668_100000209966 [0,2,0,0,0,0|2,0,0]=4 28720 B17R2.1819 C=Cc1cccc(c1)NCc2ccccn2 34a_100011827668_100000721315 [0,2,0,0,0,0|2,0,0]=4 28721 B17R2.1819 C=Cc1cccc(c1)NCc2cccnc2 207a_100011827668_100000209961 [0,2,0,0,0,0|0,0,0]=2 28722 B17R2.1819 C=Cc1cccc(c1)NCc2cccnc2 270302a_100011827668_100000209961 [0,2,0,0,0,0|0,0,0]=2 28723 B17R2.1819 C=Cc1cccc(c1)NCc2cccnc2 34a_100011827668_100000733263 [0,2,0,0,0,0|0,0,0]=2 28724 B17R2.1819 C=Cc1cccc(c1)NCc2cccnn2 34a_100011827668_100016990269 [0,2,0,0,0,0|1,0,0]=3 28725 B17R2.1819 C=Cc1cccc(c1)NCc2ccncc2 207a_100011827668_100000186114 [0,2,0,0,0,0|2,0,0]=4 28726 B17R2.1819 C=Cc1cccc(c1)NCc2ccnnc2 270302a_100011827668_100011934578 [0,2,0,0,0,0|1,0,0]=3 28727 B17R2.1819 C=Cc1cccc(c1)NCc2cnccn2 34a_100011827668_100016995436 [0,2,0,0,0,0|1,0,0]=3 28728 B17R2.1819 C=Cc1cccc(c1)NCc2cncnc2 270302a_100011827668_100000749868 [0,2,0,0,0,0|1,0,0]=3 28729 B17R2.1819 C=Cc1cccc(c1)NCc2cncnc2 34a_100011827668_100015196519 [0,2,0,0,0,0|1,0,0]=3 28730 B17R2.1819 C=Cc1cccc(c1)OCc2ccccc2 271570a_100011290941_100000151840 [0,2,0,0,0,0|2,0,0]=4 28731 B17R2.1819 C=Cc1cccc(c1)OCc2ccccc2 34a_100011309434_100015291786 [0,2,0,0,0,0|2,0,0]=4 28732 B17R2.1819 C=Cc1cccc(c1)OCc2ccccc2 7a_100011309434_100000211182 [0,2,0,0,0,0|2,0,0]=4 28733 B17R2.1819 C=Cc1cccc(c1)OCc2cccnc2 34a_100011309434_100000733263 [0,2,0,0,0,0|1,0,0]=3 28734 B17R2.1819 C=Cc1cccc(c1)OCc2cccnc2 7a_100011309434_100000741622 [0,2,0,0,0,0|1,0,0]=3 28735 B17R2.1819 C=Cc1cccc(c1)OCc2cccnn2 34a_100011309434_100016990269 [0,2,0,0,0,0|2,0,0]=4 28736 B17R2.1819 C=Cc1cccc(c1)OCc2cccnn2 7a_100011309434_100016990269 [0,2,0,0,0,0|2,0,0]=4 28737 B17R2.1819 C=Cc1cccc(c1)OCc2cnccn2 34a_100011309434_100016995436 [0,2,0,0,0,0|2,0,0]=4 28738 B17R2.1819 C=Cc1cccc(c1)OCc2cnccn2 7a_100011309434_100016995436 [0,2,0,0,0,0|2,0,0]=4 28739 B17R2.1819 C=Cc1cccc(c1)OCc2cncnc2 34a_100011309434_100015196519 [0,2,0,0,0,0|2,0,0]=4 28740 B17R2.1819 C=Cc1cccc(c1)OCc2cncnc2 7a_100011309434_100015196519 [0,2,0,0,0,0|2,0,0]=4 28741 B17R2.1819 C=Cc1cccc(c1)SCc2ccccc2 271570a_100011290941_100103287807 [0,2,0,0,0,0|2,0,0]=4 28742 B17R2.1819 C=Cc1cccc(c1)SCc2ccccc2 62a_100000211182_100011215241 [0,2,0,0,0,0|2,0,0]=4 28743 B17R2.1819 C=Cc1cccc(c1)SCc2ccccc2 62a_100011215241_100015291786 [0,2,0,0,0,0|2,0,0]=4 28744 B17R2.1819 C=Cc1cccc(c1)SCc2cccnc2 62a_100000741622_100011215241 [0,2,0,0,0,0|1,0,0]=3 28745 B17R2.1819 C=Cc1cccc(c1)SCc2cccnc2 62a_100011215241_100000741622 [0,2,0,0,0,0|1,0,0]=3 28746 B17R2.1819 C=Cc1cccc(c1)SCc2cccnn2 62a_100011215241_100016990269 [0,2,0,0,0,0|2,0,0]=4 28747 B17R2.1819 C=Cc1cccc(c1)SCc2cccnn2 62a_100016990269_100011215241 [0,2,0,0,0,0|2,0,0]=4 28748 B17R2.1819 C=Cc1cccc(c1)SCc2cnccn2 62a_100011215241_100016995436 [0,2,0,0,0,0|2,0,0]=4 28749 B17R2.1819 C=Cc1cccc(c1)SCc2cnccn2 62a_100016995436_100011215241 [0,2,0,0,0,0|2,0,0]=4 28750 B17R2.1819 C=Cc1cccc(c1)SCc2cncnc2 62a_100011215241_100015196519 [0,2,0,0,0,0|2,0,0]=4 28751 B17R2.1819 C=Cc1cccc(c1)SCc2cncnc2 62a_100015196519_100011215241 [0,2,0,0,0,0|2,0,0]=4 28752 B17R2.1819 C=Cc1cccc(n1)NCc2ccccc2 271570a_100011290941_200011960457 [0,2,0,0,0,0|2,0,0]=4 28753 B17R2.1819 C=Cc1cncc(c1)OCc2ccccc2 271570a_100011290941_100012029532 [0,2,0,0,0,0|2,0,0]=4 28754 B17R2.1819 C=Cc1cncc(c1)SCc2ccccc2 62a_100000211182_200012180632 [0,2,0,0,0,0|2,0,0]=4 28755 B17R2.1819 C=Cc1cncc(c1)SCc2ccccc2 62a_200012180632_100015291786 [0,2,0,0,0,0|2,0,0]=4 28756 B17R2.1819 C=Cc1cncc(c1)SCc2cccnc2 62a_100000741622_200012180632 [0,2,0,0,0,0|2,0,0]=4 28757 B17R2.1819 C=Cc1cncc(c1)SCc2cccnc2 62a_200012180632_100000741622 [0,2,0,0,0,0|2,0,0]=4 28758 B17R2.1819 CC[n+]1cccc(c1)OCc2cccnc2 34a_100000731997_100000733263 [0,2,0,0,0,0|2,0,0]=4 28759 B17R2.1819 CC[n+]1cccc(c1)OCc2cccnc2 7a_100000731997_100000741622 [0,2,0,0,0,0|2,0,0]=4 28760 B17R2.1819 CCc1cc(ccn1)NCc2ccccc2 27a_100015324214_100009820011 [0,2,0,0,0,0|2,0,0]=4 28761 B17R2.1819 CCc1cc(ccn1)NCc2cccnc2 27a_100000210453_100009820011 [0,2,0,0,0,0|1,0,0]=3 28762 B17R2.1819 CCc1cc(ccn1)NCc2cccnn2 27a_100159270163_100009820011 [0,2,0,0,0,0|2,0,0]=4 28763 B17R2.1819 CCc1cc(ccn1)NCc2cnccn2 27a_100000737960_100009820011 [0,2,0,0,0,0|2,0,0]=4 28764 B17R2.1819 CCc1cc(ccn1)NCc2cncnc2 27a_100011243677_100009820011 [0,2,0,0,0,0|2,0,0]=4 28765 B17R2.1819 CCc1cc(ccn1)SCc2cccnc2 62a_100000741622_100009820011 [0,2,0,0,0,0|2,0,0]=4 28766 B17R2.1819 CCc1cc(ccn1)SCc2cccnc2 62a_100009820011_100000741622 [0,2,0,0,0,0|2,0,0]=4 28767 B17R2.1819 CCc1cc(ncn1)NCc2cccnc2 27a_100000210453_100000744278 [0,2,0,0,0,0|2,0,0]=4 28768 B17R2.1819 CCc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000684523 [0,2,0,0,0,0|1,0,1]=4 28769 B17R2.1819 CCc1cccc(c1)CNc2ccccc2 207a_100000106764_100011999841 [0,2,0,0,0,0|1,0,0]=3 28770 B17R2.1819 CCc1cccc(c1)CNc2ccccc2 270302a_100000106764_100011999841 [0,2,0,0,0,0|1,0,0]=3 28771 B17R2.1819 CCc1cccc(c1)NCc2ccccc2 207a_100000211250_100015611070 [0,2,0,0,0,0|1,0,0]=3 28772 B17R2.1819 CCc1cccc(c1)NCc2ccccc2 2230a_100000211250_100015291786 [0,2,0,0,0,0|1,0,0]=3 28773 B17R2.1819 CCc1cccc(c1)NCc2ccccc2 270302a_100000211250_100015611070 [0,2,0,0,0,0|1,0,0]=3 28774 B17R2.1819 CCc1cccc(c1)NCc2ccccc2 34a_100000211250_100015291786 [0,2,0,0,0,0|1,0,0]=3 28775 B17R2.1819 CCc1cccc(c1)NCc2ccccc2 7a_100000211250_100000211182 [0,2,0,0,0,0|1,0,0]=3 28776 B17R2.1819 CCc1cccc(c1)NCc2ccccn2 207a_100000211250_100000209966 [0,2,0,0,0,0|2,0,0]=4 28777 B17R2.1819 CCc1cccc(c1)NCc2ccccn2 2230a_100000211250_100000721315 [0,2,0,0,0,0|2,0,0]=4 28778 B17R2.1819 CCc1cccc(c1)NCc2ccccn2 270302a_100000211250_100000209966 [0,2,0,0,0,0|2,0,0]=4 28779 B17R2.1819 CCc1cccc(c1)NCc2ccccn2 34a_100000211250_100000721315 [0,2,0,0,0,0|2,0,0]=4 28780 B17R2.1819 CCc1cccc(c1)NCc2ccccn2 7a_100000211250_100000721315 [0,2,0,0,0,0|2,0,0]=4 28781 B17R2.1819 CCc1cccc(c1)NCc2cccnc2 207a_100000211250_100000209961 [0,2,0,0,0,0|0,0,0]=2 28782 B17R2.1819 CCc1cccc(c1)NCc2cccnc2 2230a_100000211250_100000741622 [0,2,0,0,0,0|0,0,0]=2 28783 B17R2.1819 CCc1cccc(c1)NCc2cccnc2 270302a_100000211250_100000209961 [0,2,0,0,0,0|0,0,0]=2 28784 B17R2.1819 CCc1cccc(c1)NCc2cccnc2 34a_100000211250_100000733263 [0,2,0,0,0,0|0,0,0]=2 28785 B17R2.1819 CCc1cccc(c1)NCc2cccnc2 7a_100000211250_100000741622 [0,2,0,0,0,0|0,0,0]=2 28786 B17R2.1819 CCc1cccc(c1)NCc2cccnn2 2230a_100000211250_100016990269 [0,2,0,0,0,0|1,0,0]=3 28787 B17R2.1819 CCc1cccc(c1)NCc2cccnn2 34a_100000211250_100016990269 [0,2,0,0,0,0|1,0,0]=3 28788 B17R2.1819 CCc1cccc(c1)NCc2cccnn2 7a_100000211250_100016990269 [0,2,0,0,0,0|1,0,0]=3 28789 B17R2.1819 CCc1cccc(c1)NCc2ccncc2 207a_100000211250_100000186114 [0,2,0,0,0,0|2,0,0]=4 28790 B17R2.1819 CCc1cccc(c1)NCc2ccncc2 2230a_100000211250_100015193705 [0,2,0,0,0,0|2,0,0]=4 28791 B17R2.1819 CCc1cccc(c1)NCc2ccncc2 7a_100000211250_100015193705 [0,2,0,0,0,0|2,0,0]=4 28792 B17R2.1819 CCc1cccc(c1)NCc2ccnnc2 270302a_100000211250_100011934578 [0,2,0,0,0,0|1,0,0]=3 28793 B17R2.1819 CCc1cccc(c1)NCc2cnccn2 2230a_100000211250_100016995436 [0,2,0,0,0,0|1,0,0]=3 28794 B17R2.1819 CCc1cccc(c1)NCc2cnccn2 34a_100000211250_100016995436 [0,2,0,0,0,0|1,0,0]=3 28795 B17R2.1819 CCc1cccc(c1)NCc2cnccn2 7a_100000211250_100016995436 [0,2,0,0,0,0|1,0,0]=3 28796 B17R2.1819 CCc1cccc(c1)NCc2cncnc2 2230a_100000211250_100015196519 [0,2,0,0,0,0|1,0,0]=3 28797 B17R2.1819 CCc1cccc(c1)NCc2cncnc2 270302a_100000211250_100000749868 [0,2,0,0,0,0|1,0,0]=3 28798 B17R2.1819 CCc1cccc(c1)NCc2cncnc2 34a_100000211250_100015196519 [0,2,0,0,0,0|1,0,0]=3 28799 B17R2.1819 CCc1cccc(c1)NCc2cncnc2 7a_100000211250_100015196519 [0,2,0,0,0,0|1,0,0]=3 28800 B17R2.1819 CCc1cccc(c1)OCc2ccccc2 34a_100000211550_100015291786 [0,2,0,0,0,0|2,0,0]=4 28801 B17R2.1819 CCc1cccc(c1)OCc2ccccc2 7a_100000211550_100000211182 [0,2,0,0,0,0|2,0,0]=4 28802 B17R2.1819 CCc1cccc(c1)OCc2cccnc2 34a_100000211550_100000733263 [0,2,0,0,0,0|1,0,0]=3 28803 B17R2.1819 CCc1cccc(c1)OCc2cccnc2 7a_100000211550_100000741622 [0,2,0,0,0,0|1,0,0]=3 28804 B17R2.1819 CCc1cccc(c1)OCc2cccnn2 34a_100000211550_100016990269 [0,2,0,0,0,0|2,0,0]=4 28805 B17R2.1819 CCc1cccc(c1)OCc2cccnn2 7a_100000211550_100016990269 [0,2,0,0,0,0|2,0,0]=4 28806 B17R2.1819 CCc1cccc(c1)OCc2cnccn2 34a_100000211550_100016995436 [0,2,0,0,0,0|2,0,0]=4 28807 B17R2.1819 CCc1cccc(c1)OCc2cnccn2 7a_100000211550_100016995436 [0,2,0,0,0,0|2,0,0]=4 28808 B17R2.1819 CCc1cccc(c1)OCc2cncnc2 34a_100000211550_100015196519 [0,2,0,0,0,0|2,0,0]=4 28809 B17R2.1819 CCc1cccc(c1)OCc2cncnc2 7a_100000211550_100015196519 [0,2,0,0,0,0|2,0,0]=4 28810 B17R2.1819 CCc1cccc(c1)SCc2ccccc2 62a_100000211182_100011263222 [0,2,0,0,0,0|2,0,0]=4 28811 B17R2.1819 CCc1cccc(c1)SCc2ccccc2 62a_100011263222_100015291786 [0,2,0,0,0,0|2,0,0]=4 28812 B17R2.1819 CCc1cccc(c1)SCc2cccnc2 62a_100000741622_100011263222 [0,2,0,0,0,0|1,0,0]=3 28813 B17R2.1819 CCc1cccc(c1)SCc2cccnc2 62a_100011263222_100000741622 [0,2,0,0,0,0|1,0,0]=3 28814 B17R2.1819 CCc1cccc(c1)SCc2cccnn2 62a_100011263222_100016990269 [0,2,0,0,0,0|2,0,0]=4 28815 B17R2.1819 CCc1cccc(c1)SCc2cccnn2 62a_100016990269_100011263222 [0,2,0,0,0,0|2,0,0]=4 28816 B17R2.1819 CCc1cccc(c1)SCc2cnccn2 62a_100011263222_100016995436 [0,2,0,0,0,0|2,0,0]=4 28817 B17R2.1819 CCc1cccc(c1)SCc2cnccn2 62a_100016995436_100011263222 [0,2,0,0,0,0|2,0,0]=4 28818 B17R2.1819 CCc1cccc(c1)SCc2cncnc2 62a_100011263222_100015196519 [0,2,0,0,0,0|2,0,0]=4 28819 B17R2.1819 CCc1cccc(c1)SCc2cncnc2 62a_100015196519_100011263222 [0,2,0,0,0,0|2,0,0]=4 28820 B17R2.1819 CCc1cccc(n1)SCc2cccnc2 62a_100000741622_100009856026 [0,2,0,0,0,0|2,0,0]=4 28821 B17R2.1819 CCc1cccc(n1)SCc2cccnc2 62a_100009856026_100000741622 [0,2,0,0,0,0|2,0,0]=4 28822 B17R2.1819 CCc1ccnc(c1)NCc2ccccc2 27a_100015324214_100009817561 [0,2,0,0,0,0|2,0,0]=4 28823 B17R2.1819 CCc1ccnc(c1)NCc2cccnc2 27a_100000210453_100009817561 [0,2,0,0,0,0|1,0,0]=3 28824 B17R2.1819 CCc1ccnc(c1)NCc2cccnn2 27a_100159270163_100009817561 [0,2,0,0,0,0|2,0,0]=4 28825 B17R2.1819 CCc1ccnc(c1)NCc2cnccn2 27a_100000737960_100009817561 [0,2,0,0,0,0|2,0,0]=4 28826 B17R2.1819 CCc1ccnc(c1)NCc2cncnc2 27a_100011243677_100009817561 [0,2,0,0,0,0|2,0,0]=4 28827 B17R2.1819 CCc1ccnc(c1)SCc2cccnc2 62a_100000741622_100009817561 [0,2,0,0,0,0|2,0,0]=4 28828 B17R2.1819 CCc1ccnc(c1)SCc2cccnc2 62a_100009817561_100000741622 [0,2,0,0,0,0|2,0,0]=4 28829 B17R2.1819 CCc1ccnc(n1)NCc2cccnc2 27a_100000210453_100000100215 [0,2,0,0,0,0|2,0,0]=4 28830 B17R2.1819 CCc1cncc(c1)C#Cc2ccccc2 271570a_100000069678_200009819073 [0,2,0,0,0,0|1,0,1]=4 28831 B17R2.1819 CCc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_200009819073 [0,2,0,0,0,0|1,0,1]=4 28832 B17R2.1819 CCc1cncc(c1)OCc2ccccc2 34a_200009861530_100015291786 [0,2,0,0,0,0|2,0,0]=4 28833 B17R2.1819 CCc1cncc(c1)OCc2ccccc2 7a_200009861530_100000211182 [0,2,0,0,0,0|2,0,0]=4 28834 B17R2.1819 CCc1cncc(c1)OCc2cccnc2 34a_200009861530_100000733263 [0,2,0,0,0,0|2,0,0]=4 28835 B17R2.1819 CCc1cncc(c1)OCc2cccnc2 7a_200009861530_100000741622 [0,2,0,0,0,0|2,0,0]=4 28836 B17R2.1819 CCc1cncc(c1)SCc2ccccc2 62a_100000211182_200009819073 [0,2,0,0,0,0|2,0,0]=4 28837 B17R2.1819 CCc1cncc(c1)SCc2ccccc2 62a_200009819073_100015291786 [0,2,0,0,0,0|2,0,0]=4 28838 B17R2.1819 CCc1cncc(c1)SCc2cccnc2 62a_100000741622_200009819073 [0,2,0,0,0,0|2,0,0]=4 28839 B17R2.1819 CCc1cncc(c1)SCc2cccnc2 62a_200009819073_100000741622 [0,2,0,0,0,0|2,0,0]=4 28840 B17R2.1819 CNc1cc(ccn1)SCc2cccnc2 62a_100000741622_100009819592 [0,2,0,0,0,0|2,0,0]=4 28841 B17R2.1819 CNc1cc(ccn1)SCc2cccnc2 62a_100009819592_100000741622 [0,2,0,0,0,0|2,0,0]=4 28842 B17R2.1819 CNc1cc(ncn1)NCc2cccnc2 27a_100000210453_100000756605 [0,2,0,0,0,0|2,0,0]=4 28843 B17R2.1819 CNc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000219648 [0,2,0,0,0,0|1,0,1]=4 28844 B17R2.1819 CNc1cccc(c1)COc2ccccc2 2230a_100000743254_200000210301 [0,2,0,0,0,0|2,0,0]=4 28845 B17R2.1819 CNc1cccc(c1)COc2ccccc2 34a_100000743254_200000210301 [0,2,0,0,0,0|2,0,0]=4 28846 B17R2.1819 CNc1cccc(c1)COc2ccccc2 7a_100000743254_200000210301 [0,2,0,0,0,0|2,0,0]=4 28847 B17R2.1819 CNc1cccc(c1)OCc2ccccc2 2230a_100000744109_200000210301 [0,2,0,0,0,0|2,0,0]=4 28848 B17R2.1819 CNc1cccc(c1)OCc2ccccc2 34a_100000744109_200000210301 [0,2,0,0,0,0|2,0,0]=4 28849 B17R2.1819 CNc1cccc(c1)OCc2ccccc2 34a_100000756613_100015291786 [0,2,0,0,0,0|2,0,0]=4 28850 B17R2.1819 CNc1cccc(c1)OCc2ccccc2 7a_100000744109_200000210301 [0,2,0,0,0,0|2,0,0]=4 28851 B17R2.1819 CNc1cccc(c1)OCc2ccccc2 7a_100000756613_100000211182 [0,2,0,0,0,0|2,0,0]=4 28852 B17R2.1819 CNc1cccc(c1)OCc2cccnc2 34a_100000756613_100000733263 [0,2,0,0,0,0|1,0,0]=3 28853 B17R2.1819 CNc1cccc(c1)OCc2cccnc2 7a_100000756613_100000741622 [0,2,0,0,0,0|1,0,0]=3 28854 B17R2.1819 CNc1cccc(c1)OCc2cccnn2 34a_100000756613_100016990269 [0,2,0,0,0,0|2,0,0]=4 28855 B17R2.1819 CNc1cccc(c1)OCc2cccnn2 7a_100000756613_100016990269 [0,2,0,0,0,0|2,0,0]=4 28856 B17R2.1819 CNc1cccc(c1)OCc2cnccn2 34a_100000756613_100016995436 [0,2,0,0,0,0|2,0,0]=4 28857 B17R2.1819 CNc1cccc(c1)OCc2cnccn2 7a_100000756613_100016995436 [0,2,0,0,0,0|2,0,0]=4 28858 B17R2.1819 CNc1cccc(c1)OCc2cncnc2 34a_100000756613_100015196519 [0,2,0,0,0,0|2,0,0]=4 28859 B17R2.1819 CNc1cccc(c1)OCc2cncnc2 7a_100000756613_100015196519 [0,2,0,0,0,0|2,0,0]=4 28860 B17R2.1819 CNc1cccc(c1)SCc2ccccc2 62a_100000211182_100000219648 [0,2,0,0,0,0|2,0,0]=4 28861 B17R2.1819 CNc1cccc(c1)SCc2ccccc2 62a_100000219648_100015291786 [0,2,0,0,0,0|2,0,0]=4 28862 B17R2.1819 CNc1cccc(c1)SCc2cccnc2 62a_100000219648_100000741622 [0,2,0,0,0,0|1,0,0]=3 28863 B17R2.1819 CNc1cccc(c1)SCc2cccnc2 62a_100000741622_100000219648 [0,2,0,0,0,0|1,0,0]=3 28864 B17R2.1819 CNc1cccc(c1)SCc2cccnn2 62a_100000219648_100016990269 [0,2,0,0,0,0|2,0,0]=4 28865 B17R2.1819 CNc1cccc(c1)SCc2cccnn2 62a_100016990269_100000219648 [0,2,0,0,0,0|2,0,0]=4 28866 B17R2.1819 CNc1cccc(c1)SCc2cnccn2 62a_100000219648_100016995436 [0,2,0,0,0,0|2,0,0]=4 28867 B17R2.1819 CNc1cccc(c1)SCc2cnccn2 62a_100016995436_100000219648 [0,2,0,0,0,0|2,0,0]=4 28868 B17R2.1819 CNc1cccc(c1)SCc2cncnc2 62a_100000219648_100015196519 [0,2,0,0,0,0|2,0,0]=4 28869 B17R2.1819 CNc1cccc(c1)SCc2cncnc2 62a_100015196519_100000219648 [0,2,0,0,0,0|2,0,0]=4 28870 B17R2.1819 CNc1cccc(n1)SCc2cccnc2 62a_100000703281_100000741622 [0,2,0,0,0,0|2,0,0]=4 28871 B17R2.1819 CNc1cccc(n1)SCc2cccnc2 62a_100000741622_100000703281 [0,2,0,0,0,0|2,0,0]=4 28872 B17R2.1819 CNc1ccnc(c1)SCc2cccnc2 62a_100000741622_100009869472 [0,2,0,0,0,0|2,0,0]=4 28873 B17R2.1819 CNc1ccnc(c1)SCc2cccnc2 62a_100009869472_100000741622 [0,2,0,0,0,0|2,0,0]=4 28874 B17R2.1819 CNc1ccnc(n1)NCc2cccnc2 27a_100000210453_100011649947 [0,2,0,0,0,0|2,0,0]=4 28875 B17R2.1819 CNc1cncc(c1)C#Cc2ccccc2 271570a_100000069678_100012184536 [0,2,0,0,0,0|1,0,1]=4 28876 B17R2.1819 CNc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100012184536 [0,2,0,0,0,0|1,0,1]=4 28877 B17R2.1819 CNc1cncc(c1)SCc2ccccc2 62a_100000211182_100012184536 [0,2,0,0,0,0|2,0,0]=4 28878 B17R2.1819 CNc1cncc(c1)SCc2ccccc2 62a_100012184536_100015291786 [0,2,0,0,0,0|2,0,0]=4 28879 B17R2.1819 CNc1cncc(c1)SCc2cccnc2 62a_100000741622_100012184536 [0,2,0,0,0,0|2,0,0]=4 28880 B17R2.1819 CNc1cncc(c1)SCc2cccnc2 62a_100012184536_100000741622 [0,2,0,0,0,0|2,0,0]=4 28881 B17R2.1819 CNc1nccc(n1)NCc2cccnc2 27a_100000210453_100012000420 [0,2,0,0,0,0|2,0,0]=4 28882 B17R2.1819 COc1cc(ccn1)CNc2ccccc2 207a_100000106764_100000050969 [0,2,0,0,0,0|2,0,0]=4 28883 B17R2.1819 COc1cc(ccn1)CNc2ccccc2 34a_100000106764_100103152439 [0,2,0,0,0,0|2,0,0]=4 28884 B17R2.1819 COc1cc(ccn1)OCc2cccnc2 34a_100012181050_100000733263 [0,2,0,0,0,0|2,0,0]=4 28885 B17R2.1819 COc1cc(ccn1)SCc2cccnc2 62a_100000117307_100000741622 [0,2,0,0,0,0|2,0,0]=4 28886 B17R2.1819 COc1cc(ccn1)SCc2cccnc2 62a_100000741622_100000117307 [0,2,0,0,0,0|2,0,0]=4 28887 B17R2.1819 COc1cc(ncn1)NCc2cccnc2 27a_100000210453_100000049997 [0,2,0,0,0,0|2,0,0]=4 28888 B17R2.1819 COc1cccc(c1)C=Cc2cccnc2 271570a_100010186523_100000752921 [0,2,0,0,0,0|1,0,1]=4 28889 B17R2.1819 COc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000170001 [0,2,0,0,0,0|1,0,1]=4 28890 B17R2.1819 COc1cccc(c1)CCc2ccccc2 34a_100000090727_200000210301 [0,2,0,0,0,0|2,0,0]=4 28891 B17R2.1819 COc1cccc(c1)CCc2ccccc2 7a_100000090727_200000210301 [0,2,0,0,0,0|2,0,0]=4 28892 B17R2.1819 COc1cccc(c1)CNc2ccccc2 207a_100000106764_100000170238 [0,2,0,0,0,0|1,0,0]=3 28893 B17R2.1819 COc1cccc(c1)CNc2ccccc2 270302a_100000106764_100000170238 [0,2,0,0,0,0|1,0,0]=3 28894 B17R2.1819 COc1cccc(c1)CNc2ccccc2 34a_100000106764_100000688526 [0,2,0,0,0,0|1,0,0]=3 28895 B17R2.1819 COc1cccc(c1)COc2ccccc2 34a_100000210340_100000688526 [0,2,0,0,0,0|2,0,0]=4 28896 B17R2.1819 COc1cccc(c1)COc2ccccc2 7a_100000210340_100000211672 [0,2,0,0,0,0|2,0,0]=4 28897 B17R2.1819 COc1cccc(c1)COc2cccnc2 34a_100000210849_100000688526 [0,2,0,0,0,0|2,0,0]=4 28898 B17R2.1819 COc1cccc(c1)COc2cccnc2 7a_100000210849_100000211672 [0,2,0,0,0,0|2,0,0]=4 28899 B17R2.1819 COc1cccc(c1)CSc2ccccc2 62a_100000688526_100000041952 [0,2,0,0,0,0|2,0,0]=4 28900 B17R2.1819 COc1cccc(c1)CSc2ccccc2 62a_100000719477_100000211672 [0,2,0,0,0,0|2,0,0]=4 28901 B17R2.1819 COc1cccc(c1)CSc2cccnc2 62a_100000210063_100000211672 [0,2,0,0,0,0|2,0,0]=4 28902 B17R2.1819 COc1cccc(c1)CSc2cccnc2 62a_100000688526_100000210063 [0,2,0,0,0,0|2,0,0]=4 28903 B17R2.1819 COc1cccc(c1)NCc2ccccc2 207a_100000210024_100015611070 [0,2,0,0,0,0|1,0,0]=3 28904 B17R2.1819 COc1cccc(c1)NCc2ccccc2 270302a_100000210024_100015611070 [0,2,0,0,0,0|1,0,0]=3 28905 B17R2.1819 COc1cccc(c1)NCc2ccccc2 34a_100000210024_100015291786 [0,2,0,0,0,0|1,0,0]=3 28906 B17R2.1819 COc1cccc(c1)NCc2ccccn2 207a_100000210024_100000209966 [0,2,0,0,0,0|2,0,0]=4 28907 B17R2.1819 COc1cccc(c1)NCc2ccccn2 270302a_100000210024_100000209966 [0,2,0,0,0,0|2,0,0]=4 28908 B17R2.1819 COc1cccc(c1)NCc2ccccn2 34a_100000210024_100000721315 [0,2,0,0,0,0|2,0,0]=4 28909 B17R2.1819 COc1cccc(c1)NCc2cccnc2 207a_100000210024_100000209961 [0,2,0,0,0,0|0,0,0]=2 28910 B17R2.1819 COc1cccc(c1)NCc2cccnc2 270302a_100000210024_100000209961 [0,2,0,0,0,0|0,0,0]=2 28911 B17R2.1819 COc1cccc(c1)NCc2cccnc2 34a_100000210024_100000733263 [0,2,0,0,0,0|0,0,0]=2 28912 B17R2.1819 COc1cccc(c1)NCc2cccnn2 34a_100000210024_100016990269 [0,2,0,0,0,0|1,0,0]=3 28913 B17R2.1819 COc1cccc(c1)NCc2ccncc2 207a_100000210024_100000186114 [0,2,0,0,0,0|2,0,0]=4 28914 B17R2.1819 COc1cccc(c1)NCc2ccnnc2 270302a_100000210024_100011934578 [0,2,0,0,0,0|1,0,0]=3 28915 B17R2.1819 COc1cccc(c1)NCc2cnccn2 34a_100000210024_100016995436 [0,2,0,0,0,0|1,0,0]=3 28916 B17R2.1819 COc1cccc(c1)NCc2cncnc2 270302a_100000210024_100000749868 [0,2,0,0,0,0|1,0,0]=3 28917 B17R2.1819 COc1cccc(c1)NCc2cncnc2 34a_100000210024_100015196519 [0,2,0,0,0,0|1,0,0]=3 28918 B17R2.1819 COc1cccc(c1)OCc2ccccc2 34a_100000211255_100015291786 [0,2,0,0,0,0|2,0,0]=4 28919 B17R2.1819 COc1cccc(c1)OCc2ccccc2 34a_100011215993_200000210301 [0,2,0,0,0,0|2,0,0]=4 28920 B17R2.1819 COc1cccc(c1)OCc2ccccc2 7a_100000211255_100000211182 [0,2,0,0,0,0|2,0,0]=4 28921 B17R2.1819 COc1cccc(c1)OCc2ccccc2 7a_100011215993_200000210301 [0,2,0,0,0,0|2,0,0]=4 28922 B17R2.1819 COc1cccc(c1)OCc2cccnc2 34a_100000211255_100000733263 [0,2,0,0,0,0|1,0,0]=3 28923 B17R2.1819 COc1cccc(c1)OCc2cccnc2 7a_100000211255_100000741622 [0,2,0,0,0,0|1,0,0]=3 28924 B17R2.1819 COc1cccc(c1)OCc2cccnn2 34a_100000211255_100016990269 [0,2,0,0,0,0|2,0,0]=4 28925 B17R2.1819 COc1cccc(c1)OCc2cccnn2 7a_100000211255_100016990269 [0,2,0,0,0,0|2,0,0]=4 28926 B17R2.1819 COc1cccc(c1)OCc2cnccn2 34a_100000211255_100016995436 [0,2,0,0,0,0|2,0,0]=4 28927 B17R2.1819 COc1cccc(c1)OCc2cnccn2 7a_100000211255_100016995436 [0,2,0,0,0,0|2,0,0]=4 28928 B17R2.1819 COc1cccc(c1)OCc2cncnc2 34a_100000211255_100015196519 [0,2,0,0,0,0|2,0,0]=4 28929 B17R2.1819 COc1cccc(c1)OCc2cncnc2 7a_100000211255_100015196519 [0,2,0,0,0,0|2,0,0]=4 28930 B17R2.1819 COc1cccc(c1)SCc2ccccc2 62a_100000211182_100000170001 [0,2,0,0,0,0|2,0,0]=4 28931 B17R2.1819 COc1cccc(c1)SCc2cccnc2 62a_100000741622_100000170001 [0,2,0,0,0,0|1,0,0]=3 28932 B17R2.1819 COc1cccc(c1)SCc2cccnn2 62a_100016990269_100000170001 [0,2,0,0,0,0|2,0,0]=4 28933 B17R2.1819 COc1cccc(c1)SCc2cnccn2 62a_100016995436_100000170001 [0,2,0,0,0,0|2,0,0]=4 28934 B17R2.1819 COc1cccc(c1)SCc2cncnc2 62a_100015196519_100000170001 [0,2,0,0,0,0|2,0,0]=4 28935 B17R2.1819 COc1cccc(n1)CNc2ccccc2 207a_100000106764_100000694346 [0,2,0,0,0,0|2,0,0]=4 28936 B17R2.1819 COc1cccc(n1)CNc2ccccc2 270302a_100000106764_100000694346 [0,2,0,0,0,0|2,0,0]=4 28937 B17R2.1819 COc1cccc(n1)CNc2ccccc2 34a_100000106764_100000755263 [0,2,0,0,0,0|2,0,0]=4 28938 B17R2.1819 COc1cccc(n1)SCc2cccnc2 62a_100000741622_100000760917 [0,2,0,0,0,0|2,0,0]=4 28939 B17R2.1819 COc1cccc(n1)SCc2cccnc2 62a_100000760917_100000741622 [0,2,0,0,0,0|2,0,0]=4 28940 B17R2.1819 COc1ccnc(c1)CNc2ccccc2 207a_100000106764_100000087537 [0,2,0,0,0,0|2,0,0]=4 28941 B17R2.1819 COc1ccnc(c1)CNc2ccccc2 34a_100000106764_100000752681 [0,2,0,0,0,0|2,0,0]=4 28942 B17R2.1819 COc1ccnc(c1)SCc2cccnc2 62a_100000741622_100011216251 [0,2,0,0,0,0|2,0,0]=4 28943 B17R2.1819 COc1ccnc(c1)SCc2cccnc2 62a_100009817693_100000741622 [0,2,0,0,0,0|2,0,0]=4 28944 B17R2.1819 COc1ccnc(n1)NCc2cccnc2 27a_100000210453_100000182009 [0,2,0,0,0,0|2,0,0]=4 28945 B17R2.1819 COc1cncc(c1)C#Cc2ccccc2 271570a_100000069678_100000684773 [0,2,0,0,0,0|1,0,1]=4 28946 B17R2.1819 COc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100000684773 [0,2,0,0,0,0|1,0,1]=4 28947 B17R2.1819 COc1cncc(c1)CNc2ccccc2 207a_100000106764_100011361638 [0,2,0,0,0,0|0,0,0]=2 28948 B17R2.1819 COc1cncc(c1)CNc2ccccc2 270302a_100000106764_100011361638 [0,2,0,0,0,0|0,0,0]=2 28949 B17R2.1819 COc1cncc(c1)CNc2cccnn2 27a_100020589029_100016991348 [0,2,0,0,0,0|2,0,0]=4 28950 B17R2.1819 COc1cncc(c1)CNc2ccncn2 27a_100020589029_100000703185 [0,2,0,0,0,0|2,0,0]=4 28951 B17R2.1819 COc1cncc(c1)CNc2cnccn2 27a_100020589029_100000211759 [0,2,0,0,0,0|2,0,0]=4 28952 B17R2.1819 COc1cncc(c1)CNc2ncccn2 27a_100020589029_100000211032 [0,2,0,0,0,0|2,0,0]=4 28953 B17R2.1819 COc1cncc(c1)OCc2ccccc2 34a_100000084572_100015291786 [0,2,0,0,0,0|2,0,0]=4 28954 B17R2.1819 COc1cncc(c1)OCc2ccccc2 7a_100000084572_100000211182 [0,2,0,0,0,0|2,0,0]=4 28955 B17R2.1819 COc1cncc(c1)OCc2cccnc2 34a_100000084572_100000733263 [0,2,0,0,0,0|2,0,0]=4 28956 B17R2.1819 COc1cncc(c1)OCc2cccnc2 7a_100000084572_100000741622 [0,2,0,0,0,0|2,0,0]=4 28957 B17R2.1819 COc1cncc(c1)SCc2ccccc2 62a_100000050176_100015291786 [0,2,0,0,0,0|2,0,0]=4 28958 B17R2.1819 COc1cncc(c1)SCc2ccccc2 62a_100000211182_100000050176 [0,2,0,0,0,0|2,0,0]=4 28959 B17R2.1819 COc1cncc(c1)SCc2cccnc2 62a_100000050176_100000741622 [0,2,0,0,0,0|2,0,0]=4 28960 B17R2.1819 COc1cncc(c1)SCc2cccnc2 62a_100000741622_100000050176 [0,2,0,0,0,0|2,0,0]=4 28961 B17R2.1819 COc1cncc(n1)NCc2cccnc2 27a_100000210453_100009819700 [0,2,0,0,0,0|2,0,0]=4 28962 B17R2.1819 COc1nccc(n1)NCc2cccnc2 27a_100000210453_100000069072 [0,2,0,0,0,0|2,0,0]=4 28963 B17R2.1819 CSc1cc(ncn1)NCc2cccnc2 27a_100000210453_100011443430 [0,2,0,0,0,0|2,0,0]=4 28964 B17R2.1819 CSc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100011215954 [0,2,0,0,0,0|1,0,1]=4 28965 B17R2.1819 CSc1cccc(c1)CNc2ccccc2 207a_100000106764_100011935093 [0,2,0,0,0,0|1,0,0]=3 28966 B17R2.1819 CSc1cccc(c1)COc2ccccc2 62a_100000173242_200000210301 [0,2,0,0,0,0|2,0,0]=4 28967 B17R2.1819 CSc1cccc(c1)COc2ccccc2 62a_200000210301_100000173242 [0,2,0,0,0,0|2,0,0]=4 28968 B17R2.1819 CSc1cccc(c1)NCc2ccccc2 207a_100000210049_100015611070 [0,2,0,0,0,0|1,0,0]=3 28969 B17R2.1819 CSc1cccc(c1)NCc2ccccc2 2230a_100000210049_100015291786 [0,2,0,0,0,0|1,0,0]=3 28970 B17R2.1819 CSc1cccc(c1)NCc2ccccc2 270302a_100000210049_100015611070 [0,2,0,0,0,0|1,0,0]=3 28971 B17R2.1819 CSc1cccc(c1)NCc2ccccc2 34a_100000210049_100015291786 [0,2,0,0,0,0|1,0,0]=3 28972 B17R2.1819 CSc1cccc(c1)NCc2ccccc2 62a_100000224063_200000210301 [0,2,0,0,0,0|1,0,0]=3 28973 B17R2.1819 CSc1cccc(c1)NCc2ccccc2 62a_200000210301_100000224063 [0,2,0,0,0,0|1,0,0]=3 28974 B17R2.1819 CSc1cccc(c1)NCc2ccccn2 207a_100000210049_100000209966 [0,2,0,0,0,0|2,0,0]=4 28975 B17R2.1819 CSc1cccc(c1)NCc2ccccn2 2230a_100000210049_100000721315 [0,2,0,0,0,0|2,0,0]=4 28976 B17R2.1819 CSc1cccc(c1)NCc2ccccn2 270302a_100000210049_100000209966 [0,2,0,0,0,0|2,0,0]=4 28977 B17R2.1819 CSc1cccc(c1)NCc2ccccn2 34a_100000210049_100000721315 [0,2,0,0,0,0|2,0,0]=4 28978 B17R2.1819 CSc1cccc(c1)NCc2cccnc2 207a_100000210049_100000209961 [0,2,0,0,0,0|0,0,0]=2 28979 B17R2.1819 CSc1cccc(c1)NCc2cccnc2 2230a_100000210049_100000741622 [0,2,0,0,0,0|0,0,0]=2 28980 B17R2.1819 CSc1cccc(c1)NCc2cccnc2 270302a_100000210049_100000209961 [0,2,0,0,0,0|0,0,0]=2 28981 B17R2.1819 CSc1cccc(c1)NCc2cccnc2 34a_100000210049_100000733263 [0,2,0,0,0,0|0,0,0]=2 28982 B17R2.1819 CSc1cccc(c1)NCc2cccnn2 2230a_100000210049_100016990269 [0,2,0,0,0,0|1,0,0]=3 28983 B17R2.1819 CSc1cccc(c1)NCc2cccnn2 34a_100000210049_100016990269 [0,2,0,0,0,0|1,0,0]=3 28984 B17R2.1819 CSc1cccc(c1)NCc2ccncc2 207a_100000210049_100000186114 [0,2,0,0,0,0|2,0,0]=4 28985 B17R2.1819 CSc1cccc(c1)NCc2ccncc2 2230a_100000210049_100015193705 [0,2,0,0,0,0|2,0,0]=4 28986 B17R2.1819 CSc1cccc(c1)NCc2ccnnc2 270302a_100000210049_100011934578 [0,2,0,0,0,0|1,0,0]=3 28987 B17R2.1819 CSc1cccc(c1)NCc2cnccn2 2230a_100000210049_100016995436 [0,2,0,0,0,0|1,0,0]=3 28988 B17R2.1819 CSc1cccc(c1)NCc2cnccn2 34a_100000210049_100016995436 [0,2,0,0,0,0|1,0,0]=3 28989 B17R2.1819 CSc1cccc(c1)NCc2cncnc2 2230a_100000210049_100015196519 [0,2,0,0,0,0|1,0,0]=3 28990 B17R2.1819 CSc1cccc(c1)NCc2cncnc2 270302a_100000210049_100000749868 [0,2,0,0,0,0|1,0,0]=3 28991 B17R2.1819 CSc1cccc(c1)NCc2cncnc2 34a_100000210049_100015196519 [0,2,0,0,0,0|1,0,0]=3 28992 B17R2.1819 CSc1cccc(c1)OCc2ccccc2 34a_100011265683_100015291786 [0,2,0,0,0,0|2,0,0]=4 28993 B17R2.1819 CSc1cccc(c1)OCc2ccccc2 62a_100000151840_200000210301 [0,2,0,0,0,0|2,0,0]=4 28994 B17R2.1819 CSc1cccc(c1)OCc2ccccc2 62a_200000210301_100000151840 [0,2,0,0,0,0|2,0,0]=4 28995 B17R2.1819 CSc1cccc(c1)OCc2ccccc2 7a_100011265683_100000211182 [0,2,0,0,0,0|2,0,0]=4 28996 B17R2.1819 CSc1cccc(c1)OCc2cccnc2 34a_100011265683_100000733263 [0,2,0,0,0,0|1,0,0]=3 28997 B17R2.1819 CSc1cccc(c1)OCc2cccnc2 7a_100011265683_100000741622 [0,2,0,0,0,0|1,0,0]=3 28998 B17R2.1819 CSc1cccc(c1)OCc2cccnn2 34a_100011265683_100016990269 [0,2,0,0,0,0|2,0,0]=4 28999 B17R2.1819 CSc1cccc(c1)OCc2cccnn2 7a_100011265683_100016990269 [0,2,0,0,0,0|2,0,0]=4 29000 B17R2.1819 CSc1cccc(c1)OCc2cnccn2 34a_100011265683_100016995436 [0,2,0,0,0,0|2,0,0]=4 29001 B17R2.1819 CSc1cccc(c1)OCc2cnccn2 7a_100011265683_100016995436 [0,2,0,0,0,0|2,0,0]=4 29002 B17R2.1819 CSc1cccc(c1)OCc2cncnc2 34a_100011265683_100015196519 [0,2,0,0,0,0|2,0,0]=4 29003 B17R2.1819 CSc1cccc(c1)OCc2cncnc2 7a_100011265683_100015196519 [0,2,0,0,0,0|2,0,0]=4 29004 B17R2.1819 CSc1cccc(c1)SCc2ccccc2 62a_100000211182_100011215954 [0,2,0,0,0,0|2,0,0]=4 29005 B17R2.1819 CSc1cccc(c1)SCc2ccccc2 62a_100011215954_100015291786 [0,2,0,0,0,0|2,0,0]=4 29006 B17R2.1819 CSc1cccc(c1)SCc2ccccc2 62a_100103287807_200000210301 [0,2,0,0,0,0|2,0,0]=4 29007 B17R2.1819 CSc1cccc(c1)SCc2ccccc2 62a_200000210301_100103287807 [0,2,0,0,0,0|2,0,0]=4 29008 B17R2.1819 CSc1cccc(c1)SCc2cccnc2 62a_100000741622_100011215954 [0,2,0,0,0,0|1,0,0]=3 29009 B17R2.1819 CSc1cccc(c1)SCc2cccnc2 62a_100011215954_100000741622 [0,2,0,0,0,0|1,0,0]=3 29010 B17R2.1819 CSc1cccc(c1)SCc2cccnn2 62a_100011215954_100016990269 [0,2,0,0,0,0|2,0,0]=4 29011 B17R2.1819 CSc1cccc(c1)SCc2cccnn2 62a_100016990269_100011215954 [0,2,0,0,0,0|2,0,0]=4 29012 B17R2.1819 CSc1cccc(c1)SCc2cnccn2 62a_100011215954_100016995436 [0,2,0,0,0,0|2,0,0]=4 29013 B17R2.1819 CSc1cccc(c1)SCc2cnccn2 62a_100016995436_100011215954 [0,2,0,0,0,0|2,0,0]=4 29014 B17R2.1819 CSc1cccc(c1)SCc2cncnc2 62a_100011215954_100015196519 [0,2,0,0,0,0|2,0,0]=4 29015 B17R2.1819 CSc1cccc(c1)SCc2cncnc2 62a_100015196519_100011215954 [0,2,0,0,0,0|2,0,0]=4 29016 B17R2.1819 CSc1cccc(n1)NCc2ccccc2 62a_200000210301_200011960457 [0,2,0,0,0,0|2,0,0]=4 29017 B17R2.1819 CSc1cccc(n1)NCc2ccccc2 62a_200011960457_200000210301 [0,2,0,0,0,0|2,0,0]=4 29018 B17R2.1819 CSc1cccc(n1)SCc2cccnc2 62a_100000741622_100011960944 [0,2,0,0,0,0|2,0,0]=4 29019 B17R2.1819 CSc1cccc(n1)SCc2cccnc2 62a_100011960944_100000741622 [0,2,0,0,0,0|2,0,0]=4 29020 B17R2.1819 CSc1ccnc(c1)SCc2cccnc2 62a_100000741622_100010883326 [0,2,0,0,0,0|2,0,0]=4 29021 B17R2.1819 CSc1ccnc(c1)SCc2cccnc2 62a_100010883326_100000741622 [0,2,0,0,0,0|2,0,0]=4 29022 B17R2.1819 CSc1ccnc(n1)NCc2cccnc2 27a_100000210453_100011650323 [0,2,0,0,0,0|2,0,0]=4 29023 B17R2.1819 CSc1cncc(c1)C#Cc2ccccc2 271570a_100000069678_100009816972 [0,2,0,0,0,0|1,0,1]=4 29024 B17R2.1819 CSc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100009816972 [0,2,0,0,0,0|1,0,1]=4 29025 B17R2.1819 CSc1cncc(c1)OCc2ccccc2 62a_100012029532_200000210301 [0,2,0,0,0,0|2,0,0]=4 29026 B17R2.1819 CSc1cncc(c1)OCc2ccccc2 62a_200000210301_100012029532 [0,2,0,0,0,0|2,0,0]=4 29027 B17R2.1819 CSc1cncc(c1)SCc2ccccc2 62a_100000211182_100009816972 [0,2,0,0,0,0|2,0,0]=4 29028 B17R2.1819 CSc1cncc(c1)SCc2ccccc2 62a_100009816972_100015291786 [0,2,0,0,0,0|2,0,0]=4 29029 B17R2.1819 CSc1cncc(c1)SCc2cccnc2 62a_100000741622_100009816972 [0,2,0,0,0,0|2,0,0]=4 29030 B17R2.1819 CSc1cncc(c1)SCc2cccnc2 62a_100009816972_100000741622 [0,2,0,0,0,0|2,0,0]=4 29031 B17R2.1819 CSc1nccc(n1)NCc2cccnc2 27a_100000210453_100000032126 [0,2,0,0,0,0|2,0,0]=4 29032 B17R2.1819 ClCc1cccc(c1)OCc2ccccc2 34a_100000084143_100015291786 [0,2,0,0,0,0|2,0,0]=4 29033 B17R2.1819 ClCc1cccc(c1)OCc2ccccc2 7a_100000084143_100000211182 [0,2,0,0,0,0|2,0,0]=4 29034 B17R2.1819 ClCc1cccc(c1)OCc2cccnc2 34a_100000084143_100000733263 [0,2,0,0,0,0|1,0,0]=3 29035 B17R2.1819 ClCc1cccc(c1)OCc2cccnc2 7a_100000084143_100000741622 [0,2,0,0,0,0|1,0,0]=3 29036 B17R2.1819 ClCc1cccc(c1)OCc2cccnn2 34a_100000084143_100016990269 [0,2,0,0,0,0|2,0,0]=4 29037 B17R2.1819 ClCc1cccc(c1)OCc2cccnn2 7a_100000084143_100016990269 [0,2,0,0,0,0|2,0,0]=4 29038 B17R2.1819 ClCc1cccc(c1)OCc2cnccn2 34a_100000084143_100016995436 [0,2,0,0,0,0|2,0,0]=4 29039 B17R2.1819 ClCc1cccc(c1)OCc2cnccn2 7a_100000084143_100016995436 [0,2,0,0,0,0|2,0,0]=4 29040 B17R2.1819 ClCc1cccc(c1)OCc2cncnc2 34a_100000084143_100015196519 [0,2,0,0,0,0|2,0,0]=4 29041 B17R2.1819 ClCc1cccc(c1)OCc2cncnc2 7a_100000084143_100015196519 [0,2,0,0,0,0|2,0,0]=4 29042 B17R2.1819 FCc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100010878472 [0,2,0,0,0,0|1,0,1]=4 29043 B17R2.1819 FCc1cccc(c1)NCc2ccccc2 207a_100000126320_100015611070 [0,2,0,0,0,0|1,0,0]=3 29044 B17R2.1819 FCc1cccc(c1)NCc2ccccc2 2230a_100000126320_100015291786 [0,2,0,0,0,0|1,0,0]=3 29045 B17R2.1819 FCc1cccc(c1)NCc2ccccc2 270302a_100000126320_100015611070 [0,2,0,0,0,0|1,0,0]=3 29046 B17R2.1819 FCc1cccc(c1)NCc2ccccc2 34a_100000126320_100015291786 [0,2,0,0,0,0|1,0,0]=3 29047 B17R2.1819 FCc1cccc(c1)NCc2ccccc2 7a_100000126320_100000211182 [0,2,0,0,0,0|1,0,0]=3 29048 B17R2.1819 FCc1cccc(c1)NCc2ccccn2 207a_100000126320_100000209966 [0,2,0,0,0,0|2,0,0]=4 29049 B17R2.1819 FCc1cccc(c1)NCc2ccccn2 2230a_100000126320_100000721315 [0,2,0,0,0,0|2,0,0]=4 29050 B17R2.1819 FCc1cccc(c1)NCc2ccccn2 270302a_100000126320_100000209966 [0,2,0,0,0,0|2,0,0]=4 29051 B17R2.1819 FCc1cccc(c1)NCc2ccccn2 34a_100000126320_100000721315 [0,2,0,0,0,0|2,0,0]=4 29052 B17R2.1819 FCc1cccc(c1)NCc2ccccn2 7a_100000126320_100000721315 [0,2,0,0,0,0|2,0,0]=4 29053 B17R2.1819 FCc1cccc(c1)NCc2cccnc2 207a_100000126320_100000209961 [0,2,0,0,0,0|0,0,0]=2 29054 B17R2.1819 FCc1cccc(c1)NCc2cccnc2 2230a_100000126320_100000741622 [0,2,0,0,0,0|0,0,0]=2 29055 B17R2.1819 FCc1cccc(c1)NCc2cccnc2 270302a_100000126320_100000209961 [0,2,0,0,0,0|0,0,0]=2 29056 B17R2.1819 FCc1cccc(c1)NCc2cccnc2 34a_100000126320_100000733263 [0,2,0,0,0,0|0,0,0]=2 29057 B17R2.1819 FCc1cccc(c1)NCc2cccnc2 7a_100000126320_100000741622 [0,2,0,0,0,0|0,0,0]=2 29058 B17R2.1819 FCc1cccc(c1)NCc2cccnn2 2230a_100000126320_100016990269 [0,2,0,0,0,0|1,0,0]=3 29059 B17R2.1819 FCc1cccc(c1)NCc2cccnn2 34a_100000126320_100016990269 [0,2,0,0,0,0|1,0,0]=3 29060 B17R2.1819 FCc1cccc(c1)NCc2cccnn2 7a_100000126320_100016990269 [0,2,0,0,0,0|1,0,0]=3 29061 B17R2.1819 FCc1cccc(c1)NCc2ccncc2 207a_100000126320_100000186114 [0,2,0,0,0,0|2,0,0]=4 29062 B17R2.1819 FCc1cccc(c1)NCc2ccncc2 2230a_100000126320_100015193705 [0,2,0,0,0,0|2,0,0]=4 29063 B17R2.1819 FCc1cccc(c1)NCc2ccncc2 7a_100000126320_100015193705 [0,2,0,0,0,0|2,0,0]=4 29064 B17R2.1819 FCc1cccc(c1)NCc2ccnnc2 270302a_100000126320_100011934578 [0,2,0,0,0,0|1,0,0]=3 29065 B17R2.1819 FCc1cccc(c1)NCc2cnccn2 2230a_100000126320_100016995436 [0,2,0,0,0,0|1,0,0]=3 29066 B17R2.1819 FCc1cccc(c1)NCc2cnccn2 34a_100000126320_100016995436 [0,2,0,0,0,0|1,0,0]=3 29067 B17R2.1819 FCc1cccc(c1)NCc2cnccn2 7a_100000126320_100016995436 [0,2,0,0,0,0|1,0,0]=3 29068 B17R2.1819 FCc1cccc(c1)NCc2cncnc2 2230a_100000126320_100015196519 [0,2,0,0,0,0|1,0,0]=3 29069 B17R2.1819 FCc1cccc(c1)NCc2cncnc2 270302a_100000126320_100000749868 [0,2,0,0,0,0|1,0,0]=3 29070 B17R2.1819 FCc1cccc(c1)NCc2cncnc2 34a_100000126320_100015196519 [0,2,0,0,0,0|1,0,0]=3 29071 B17R2.1819 FCc1cccc(c1)NCc2cncnc2 7a_100000126320_100015196519 [0,2,0,0,0,0|1,0,0]=3 29072 B17R2.1819 FCc1cccc(c1)SCc2ccccc2 62a_100000211182_100010878472 [0,2,0,0,0,0|2,0,0]=4 29073 B17R2.1819 FCc1cccc(c1)SCc2ccccc2 62a_100010878472_100015291786 [0,2,0,0,0,0|2,0,0]=4 29074 B17R2.1819 FCc1cccc(c1)SCc2cccnc2 62a_100000741622_100010878472 [0,2,0,0,0,0|1,0,0]=3 29075 B17R2.1819 FCc1cccc(c1)SCc2cccnc2 62a_100010878472_100000741622 [0,2,0,0,0,0|1,0,0]=3 29076 B17R2.1819 FCc1cccc(c1)SCc2cccnn2 62a_100010878472_100016990269 [0,2,0,0,0,0|2,0,0]=4 29077 B17R2.1819 FCc1cccc(c1)SCc2cccnn2 62a_100016990269_100010878472 [0,2,0,0,0,0|2,0,0]=4 29078 B17R2.1819 FCc1cccc(c1)SCc2cnccn2 62a_100010878472_100016995436 [0,2,0,0,0,0|2,0,0]=4 29079 B17R2.1819 FCc1cccc(c1)SCc2cnccn2 62a_100016995436_100010878472 [0,2,0,0,0,0|2,0,0]=4 29080 B17R2.1819 FCc1cccc(c1)SCc2cncnc2 62a_100010878472_100015196519 [0,2,0,0,0,0|2,0,0]=4 29081 B17R2.1819 FCc1cccc(c1)SCc2cncnc2 62a_100015196519_100010878472 [0,2,0,0,0,0|2,0,0]=4 29082 B17R2.1819 FCc1cccc(n1)CNc2ccccc2 207a_100000106764_100016121940 [0,2,0,0,0,0|2,0,0]=4 29083 B17R2.1819 N#Cc1cc(ccn1)NCc2ccccc2 27a_100015324214_100000685610 [0,2,0,0,0,0|2,0,0]=4 29084 B17R2.1819 N#Cc1cc(ccn1)NCc2cccnc2 27a_100000210453_100000685610 [0,2,0,0,0,0|1,0,0]=3 29085 B17R2.1819 N#Cc1cc(ccn1)NCc2cccnn2 27a_100159270163_100000685610 [0,2,0,0,0,0|2,0,0]=4 29086 B17R2.1819 N#Cc1cc(ccn1)NCc2cnccn2 27a_100000737960_100000685610 [0,2,0,0,0,0|2,0,0]=4 29087 B17R2.1819 N#Cc1cc(ccn1)NCc2cncnc2 27a_100011243677_100000685610 [0,2,0,0,0,0|2,0,0]=4 29088 B17R2.1819 N#Cc1cc(ccn1)OCc2cccnc2 34a_100011777083_100000733263 [0,2,0,0,0,0|2,0,0]=4 29089 B17R2.1819 N#Cc1cc(ccn1)OCc2cccnc2 7a_100011777083_100000741622 [0,2,0,0,0,0|2,0,0]=4 29090 B17R2.1819 N#Cc1cc(ccn1)SCc2cccnc2 62a_100000741622_100000685610 [0,2,0,0,0,0|2,0,0]=4 29091 B17R2.1819 N#Cc1cc(ncn1)NCc2cccnc2 27a_100000210453_100000092509 [0,2,0,0,0,0|2,0,0]=4 29092 B17R2.1819 N#Cc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000189340 [0,2,0,0,0,0|1,0,1]=4 29093 B17R2.1819 N#Cc1cccc(c1)CNc2ccccc2 207a_100000106764_100000241001 [0,2,0,0,0,0|1,0,0]=3 29094 B17R2.1819 N#Cc1cccc(c1)CNc2ccccc2 270302a_100000106764_100000241001 [0,2,0,0,0,0|1,0,0]=3 29095 B17R2.1819 N#Cc1cccc(c1)CNc2ccccc2 34a_100000106764_100000233786 [0,2,0,0,0,0|1,0,0]=3 29096 B17R2.1819 N#Cc1cccc(c1)COc2ccccc2 34a_100000210340_100000233786 [0,2,0,0,0,0|2,0,0]=4 29097 B17R2.1819 N#Cc1cccc(c1)COc2ccccc2 7a_100000210340_100000233786 [0,2,0,0,0,0|2,0,0]=4 29098 B17R2.1819 N#Cc1cccc(c1)COc2cccnc2 34a_100000210849_100000233786 [0,2,0,0,0,0|2,0,0]=4 29099 B17R2.1819 N#Cc1cccc(c1)COc2cccnc2 7a_100000210849_100000233786 [0,2,0,0,0,0|2,0,0]=4 29100 B17R2.1819 N#Cc1cccc(c1)CSc2ccccc2 62a_100000719477_100000233786 [0,2,0,0,0,0|2,0,0]=4 29101 B17R2.1819 N#Cc1cccc(c1)CSc2cccnc2 62a_100000210063_100000233786 [0,2,0,0,0,0|2,0,0]=4 29102 B17R2.1819 N#Cc1cccc(c1)NCc2ccccc2 207a_100000210922_100015611070 [0,2,0,0,0,0|1,0,0]=3 29103 B17R2.1819 N#Cc1cccc(c1)NCc2ccccc2 270302a_100000210922_100015611070 [0,2,0,0,0,0|1,0,0]=3 29104 B17R2.1819 N#Cc1cccc(c1)NCc2ccccc2 34a_100000210922_100015291786 [0,2,0,0,0,0|1,0,0]=3 29105 B17R2.1819 N#Cc1cccc(c1)NCc2ccccc2 7a_100000210922_100000211182 [0,2,0,0,0,0|1,0,0]=3 29106 B17R2.1819 N#Cc1cccc(c1)NCc2ccccn2 207a_100000210922_100000209966 [0,2,0,0,0,0|2,0,0]=4 29107 B17R2.1819 N#Cc1cccc(c1)NCc2ccccn2 270302a_100000210922_100000209966 [0,2,0,0,0,0|2,0,0]=4 29108 B17R2.1819 N#Cc1cccc(c1)NCc2ccccn2 34a_100000210922_100000721315 [0,2,0,0,0,0|2,0,0]=4 29109 B17R2.1819 N#Cc1cccc(c1)NCc2ccccn2 7a_100000210922_100000721315 [0,2,0,0,0,0|2,0,0]=4 29110 B17R2.1819 N#Cc1cccc(c1)NCc2cccnc2 207a_100000210922_100000209961 [0,2,0,0,0,0|0,0,0]=2 29111 B17R2.1819 N#Cc1cccc(c1)NCc2cccnc2 270302a_100000210922_100000209961 [0,2,0,0,0,0|0,0,0]=2 29112 B17R2.1819 N#Cc1cccc(c1)NCc2cccnc2 34a_100000210922_100000733263 [0,2,0,0,0,0|0,0,0]=2 29113 B17R2.1819 N#Cc1cccc(c1)NCc2cccnc2 7a_100000210922_100000741622 [0,2,0,0,0,0|0,0,0]=2 29114 B17R2.1819 N#Cc1cccc(c1)NCc2cccnn2 34a_100000210922_100016990269 [0,2,0,0,0,0|1,0,0]=3 29115 B17R2.1819 N#Cc1cccc(c1)NCc2cccnn2 7a_100000210922_100016990269 [0,2,0,0,0,0|1,0,0]=3 29116 B17R2.1819 N#Cc1cccc(c1)NCc2ccncc2 207a_100000210922_100000186114 [0,2,0,0,0,0|2,0,0]=4 29117 B17R2.1819 N#Cc1cccc(c1)NCc2ccncc2 7a_100000210922_100015193705 [0,2,0,0,0,0|2,0,0]=4 29118 B17R2.1819 N#Cc1cccc(c1)NCc2ccnnc2 270302a_100000210922_100011934578 [0,2,0,0,0,0|1,0,0]=3 29119 B17R2.1819 N#Cc1cccc(c1)NCc2cnccn2 34a_100000210922_100016995436 [0,2,0,0,0,0|1,0,0]=3 29120 B17R2.1819 N#Cc1cccc(c1)NCc2cnccn2 7a_100000210922_100016995436 [0,2,0,0,0,0|1,0,0]=3 29121 B17R2.1819 N#Cc1cccc(c1)NCc2cncnc2 270302a_100000210922_100000749868 [0,2,0,0,0,0|1,0,0]=3 29122 B17R2.1819 N#Cc1cccc(c1)NCc2cncnc2 34a_100000210922_100015196519 [0,2,0,0,0,0|1,0,0]=3 29123 B17R2.1819 N#Cc1cccc(c1)NCc2cncnc2 7a_100000210922_100015196519 [0,2,0,0,0,0|1,0,0]=3 29124 B17R2.1819 N#Cc1cccc(c1)OCc2ccccc2 34a_100000184713_100015291786 [0,2,0,0,0,0|2,0,0]=4 29125 B17R2.1819 N#Cc1cccc(c1)OCc2ccccc2 7a_100000184713_100000211182 [0,2,0,0,0,0|2,0,0]=4 29126 B17R2.1819 N#Cc1cccc(c1)OCc2cccnc2 34a_100000184713_100000733263 [0,2,0,0,0,0|1,0,0]=3 29127 B17R2.1819 N#Cc1cccc(c1)OCc2cccnc2 7a_100000184713_100000741622 [0,2,0,0,0,0|1,0,0]=3 29128 B17R2.1819 N#Cc1cccc(c1)OCc2cccnn2 34a_100000184713_100016990269 [0,2,0,0,0,0|2,0,0]=4 29129 B17R2.1819 N#Cc1cccc(c1)OCc2cccnn2 7a_100000184713_100016990269 [0,2,0,0,0,0|2,0,0]=4 29130 B17R2.1819 N#Cc1cccc(c1)OCc2cnccn2 34a_100000184713_100016995436 [0,2,0,0,0,0|2,0,0]=4 29131 B17R2.1819 N#Cc1cccc(c1)OCc2cnccn2 7a_100000184713_100016995436 [0,2,0,0,0,0|2,0,0]=4 29132 B17R2.1819 N#Cc1cccc(c1)OCc2cncnc2 34a_100000184713_100015196519 [0,2,0,0,0,0|2,0,0]=4 29133 B17R2.1819 N#Cc1cccc(c1)OCc2cncnc2 7a_100000184713_100015196519 [0,2,0,0,0,0|2,0,0]=4 29134 B17R2.1819 N#Cc1cccc(c1)SCc2ccccc2 62a_100000211182_100000189340 [0,2,0,0,0,0|2,0,0]=4 29135 B17R2.1819 N#Cc1cccc(c1)SCc2cccnc2 62a_100000741622_100000189340 [0,2,0,0,0,0|1,0,0]=3 29136 B17R2.1819 N#Cc1cccc(c1)SCc2cccnn2 62a_100016990269_100000189340 [0,2,0,0,0,0|2,0,0]=4 29137 B17R2.1819 N#Cc1cccc(c1)SCc2cnccn2 62a_100016995436_100000189340 [0,2,0,0,0,0|2,0,0]=4 29138 B17R2.1819 N#Cc1cccc(c1)SCc2cncnc2 62a_100015196519_100000189340 [0,2,0,0,0,0|2,0,0]=4 29139 B17R2.1819 N#Cc1cccc(n1)CNc2ccccc2 270302a_100000106764_100000077259 [0,2,0,0,0,0|2,0,0]=4 29140 B17R2.1819 N#Cc1cccc(n1)CNc2ccccc2 34a_100000106764_100000097530 [0,2,0,0,0,0|2,0,0]=4 29141 B17R2.1819 N#Cc1cccc(n1)NCc2ccccc2 27a_100015324214_100011934037 [0,2,0,0,0,0|2,0,0]=4 29142 B17R2.1819 N#Cc1cccc(n1)NCc2cccnc2 27a_100000210453_100011934037 [0,2,0,0,0,0|1,0,0]=3 29143 B17R2.1819 N#Cc1cccc(n1)NCc2cccnn2 27a_100159270163_100011934037 [0,2,0,0,0,0|2,0,0]=4 29144 B17R2.1819 N#Cc1cccc(n1)NCc2cnccn2 27a_100000737960_100011934037 [0,2,0,0,0,0|2,0,0]=4 29145 B17R2.1819 N#Cc1cccc(n1)NCc2cncnc2 27a_100011243677_100011934037 [0,2,0,0,0,0|2,0,0]=4 29146 B17R2.1819 N#Cc1cccc(n1)SCc2cccnc2 62a_100000741622_100011934037 [0,2,0,0,0,0|2,0,0]=4 29147 B17R2.1819 N#Cc1ccnc(c1)NCc2ccccc2 27a_100015324214_100011291639 [0,2,0,0,0,0|2,0,0]=4 29148 B17R2.1819 N#Cc1ccnc(c1)NCc2cccnc2 27a_100000210453_100011291639 [0,2,0,0,0,0|1,0,0]=3 29149 B17R2.1819 N#Cc1ccnc(c1)NCc2cccnn2 27a_100159270163_100011291639 [0,2,0,0,0,0|2,0,0]=4 29150 B17R2.1819 N#Cc1ccnc(c1)NCc2cnccn2 27a_100000737960_100011291639 [0,2,0,0,0,0|2,0,0]=4 29151 B17R2.1819 N#Cc1ccnc(c1)NCc2cncnc2 27a_100011243677_100011291639 [0,2,0,0,0,0|2,0,0]=4 29152 B17R2.1819 N#Cc1ccnc(c1)SCc2cccnc2 62a_100000741622_100011291639 [0,2,0,0,0,0|2,0,0]=4 29153 B17R2.1819 N#Cc1ccnc(n1)NCc2cccnc2 27a_100000210453_100000066186 [0,2,0,0,0,0|2,0,0]=4 29154 B17R2.1819 N#Cc1cncc(c1)C#Cc2ccccc2 271570a_100000069678_100000686085 [0,2,0,0,0,0|1,0,1]=4 29155 B17R2.1819 N#Cc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100000686085 [0,2,0,0,0,0|1,0,1]=4 29156 B17R2.1819 N#Cc1cncc(c1)CNc2ccccc2 207a_100000106764_100011361567 [0,2,0,0,0,0|0,0,0]=2 29157 B17R2.1819 N#Cc1cncc(c1)CNc2ccccc2 270302a_100000106764_100011361567 [0,2,0,0,0,0|0,0,0]=2 29158 B17R2.1819 N#Cc1cncc(c1)CNc2ccccc2 34a_100000106764_200020634941 [0,2,0,0,0,0|0,0,0]=2 29159 B17R2.1819 N#Cc1cncc(c1)COc2ccccc2 34a_100000210340_200020634941 [0,2,0,0,0,0|1,0,0]=3 29160 B17R2.1819 N#Cc1cncc(c1)COc2ccccc2 7a_100000210340_200020634941 [0,2,0,0,0,0|1,0,0]=3 29161 B17R2.1819 N#Cc1cncc(c1)COc2cccnc2 34a_100000210849_200020634941 [0,2,0,0,0,0|2,0,0]=4 29162 B17R2.1819 N#Cc1cncc(c1)COc2cccnc2 7a_100000210849_200020634941 [0,2,0,0,0,0|2,0,0]=4 29163 B17R2.1819 N#Cc1cncc(c1)COc2ccncc2 34a_100000212176_200020634941 [0,2,0,0,0,0|2,0,0]=4 29164 B17R2.1819 N#Cc1cncc(c1)CSc2ccccc2 62a_100000719477_200020634941 [0,2,0,0,0,0|1,0,0]=3 29165 B17R2.1819 N#Cc1cncc(c1)CSc2ccccn2 62a_100011216584_200020634941 [0,2,0,0,0,0|2,0,0]=4 29166 B17R2.1819 N#Cc1cncc(c1)CSc2cccnc2 62a_100000210063_200020634941 [0,2,0,0,0,0|2,0,0]=4 29167 B17R2.1819 N#Cc1cncc(c1)CSc2ccncc2 62a_100000728582_200020634941 [0,2,0,0,0,0|2,0,0]=4 29168 B17R2.1819 N#Cc1cncc(c1)OCc2ccccc2 34a_100012002025_100015291786 [0,2,0,0,0,0|2,0,0]=4 29169 B17R2.1819 N#Cc1cncc(c1)OCc2ccccc2 7a_100012002025_100000211182 [0,2,0,0,0,0|2,0,0]=4 29170 B17R2.1819 N#Cc1cncc(c1)OCc2cccnc2 34a_100012002025_100000733263 [0,2,0,0,0,0|2,0,0]=4 29171 B17R2.1819 N#Cc1cncc(c1)OCc2cccnc2 7a_100012002025_100000741622 [0,2,0,0,0,0|2,0,0]=4 29172 B17R2.1819 N#Cc1cncc(c1)SCc2ccccc2 62a_100000211182_100000686085 [0,2,0,0,0,0|2,0,0]=4 29173 B17R2.1819 N#Cc1cncc(c1)SCc2cccnc2 62a_100000741622_100000686085 [0,2,0,0,0,0|2,0,0]=4 29174 B17R2.1819 N#Cc1cncc(n1)NCc2cccnc2 27a_100000210453_100009817212 [0,2,0,0,0,0|2,0,0]=4 29175 B17R2.1819 N#Cc1nccc(n1)NCc2cccnc2 27a_100000210453_100000092507 [0,2,0,0,0,0|2,0,0]=4 29176 B17R2.1819 NCc1cc(ccn1)SCc2cccnc2 62a_100000085674_100000741622 [0,2,0,0,0,0|2,0,0]=4 29177 B17R2.1819 NCc1cc(ccn1)SCc2cccnc2 62a_100000741622_100000085674 [0,2,0,0,0,0|2,0,0]=4 29178 B17R2.1819 NCc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000106179 [0,2,0,0,0,0|1,0,1]=4 29179 B17R2.1819 NCc1cccc(c1)OCc2ccccc2 34a_100000743036_100015291786 [0,2,0,0,0,0|2,0,0]=4 29180 B17R2.1819 NCc1cccc(c1)OCc2cccnc2 34a_100000743036_100000733263 [0,2,0,0,0,0|1,0,0]=3 29181 B17R2.1819 NCc1cccc(c1)OCc2cccnn2 34a_100000743036_100016990269 [0,2,0,0,0,0|2,0,0]=4 29182 B17R2.1819 NCc1cccc(c1)OCc2cnccn2 34a_100000743036_100016995436 [0,2,0,0,0,0|2,0,0]=4 29183 B17R2.1819 NCc1cccc(c1)OCc2cncnc2 34a_100000743036_100015196519 [0,2,0,0,0,0|2,0,0]=4 29184 B17R2.1819 NCc1cccc(c1)SCc2ccccc2 62a_100000106179_100015291786 [0,2,0,0,0,0|2,0,0]=4 29185 B17R2.1819 NCc1cccc(c1)SCc2ccccc2 62a_100000211182_100000106179 [0,2,0,0,0,0|2,0,0]=4 29186 B17R2.1819 NCc1cccc(c1)SCc2cccnc2 62a_100000106179_100000741622 [0,2,0,0,0,0|1,0,0]=3 29187 B17R2.1819 NCc1cccc(c1)SCc2cccnc2 62a_100000741622_100000106179 [0,2,0,0,0,0|1,0,0]=3 29188 B17R2.1819 NCc1cccc(c1)SCc2cccnn2 62a_100000106179_100016990269 [0,2,0,0,0,0|2,0,0]=4 29189 B17R2.1819 NCc1cccc(c1)SCc2cccnn2 62a_100016990269_100000106179 [0,2,0,0,0,0|2,0,0]=4 29190 B17R2.1819 NCc1cccc(c1)SCc2cnccn2 62a_100000106179_100016995436 [0,2,0,0,0,0|2,0,0]=4 29191 B17R2.1819 NCc1cccc(c1)SCc2cnccn2 62a_100016995436_100000106179 [0,2,0,0,0,0|2,0,0]=4 29192 B17R2.1819 NCc1cccc(c1)SCc2cncnc2 62a_100000106179_100015196519 [0,2,0,0,0,0|2,0,0]=4 29193 B17R2.1819 NCc1cccc(c1)SCc2cncnc2 62a_100015196519_100000106179 [0,2,0,0,0,0|2,0,0]=4 29194 B17R2.1819 NCc1cccc(n1)SCc2cccnc2 62a_100000741622_100016990191 [0,2,0,0,0,0|2,0,0]=4 29195 B17R2.1819 NCc1cccc(n1)SCc2cccnc2 62a_100016990191_100000741622 [0,2,0,0,0,0|2,0,0]=4 29196 B17R2.1819 NCc1ccnc(c1)OCc2cccnc2 34a_100000748557_100000733263 [0,2,0,0,0,0|2,0,0]=4 29197 B17R2.1819 NCc1ccnc(c1)SCc2cccnc2 62a_100000741622_100025757509 [0,2,0,0,0,0|2,0,0]=4 29198 B17R2.1819 NCc1ccnc(c1)SCc2cccnc2 62a_100025757509_100000741622 [0,2,0,0,0,0|2,0,0]=4 29199 B17R2.1819 NCc1cncc(c1)C#Cc2ccccc2 271570a_100000069678_100011249555 [0,2,0,0,0,0|1,0,1]=4 29200 B17R2.1819 NCc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100011249555 [0,2,0,0,0,0|1,0,1]=4 29201 B17R2.1819 NCc1cncc(c1)SCc2ccccc2 62a_100000211182_100011249555 [0,2,0,0,0,0|2,0,0]=4 29202 B17R2.1819 NCc1cncc(c1)SCc2ccccc2 62a_100011249555_100015291786 [0,2,0,0,0,0|2,0,0]=4 29203 B17R2.1819 NCc1cncc(c1)SCc2cccnc2 62a_100000741622_100011249555 [0,2,0,0,0,0|2,0,0]=4 29204 B17R2.1819 NCc1cncc(c1)SCc2cccnc2 62a_100011249555_100000741622 [0,2,0,0,0,0|2,0,0]=4 29205 B17R2.1819 NNc1cc(ccn1)SCc2cccnc2 62a_100000741622_100000764631 [0,2,0,0,0,0|2,0,0]=4 29206 B17R2.1819 NNc1cc(ccn1)SCc2cccnc2 62a_100000764631_100000741622 [0,2,0,0,0,0|2,0,0]=4 29207 B17R2.1819 NNc1cc(ncn1)NCc2cccnc2 27a_100000210453_100000242035 [0,2,0,0,0,0|2,0,0]=4 29208 B17R2.1819 NNc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000217339 [0,2,0,0,0,0|1,0,1]=4 29209 B17R2.1819 NNc1cccc(c1)SCc2ccccc2 62a_100000211182_100000217339 [0,2,0,0,0,0|2,0,0]=4 29210 B17R2.1819 NNc1cccc(c1)SCc2ccccc2 62a_100000217339_100015291786 [0,2,0,0,0,0|2,0,0]=4 29211 B17R2.1819 NNc1cccc(c1)SCc2cccnc2 62a_100000217339_100000741622 [0,2,0,0,0,0|1,0,0]=3 29212 B17R2.1819 NNc1cccc(c1)SCc2cccnc2 62a_100000741622_100000217339 [0,2,0,0,0,0|1,0,0]=3 29213 B17R2.1819 NNc1cccc(c1)SCc2cccnn2 62a_100000217339_100016990269 [0,2,0,0,0,0|2,0,0]=4 29214 B17R2.1819 NNc1cccc(c1)SCc2cccnn2 62a_100016990269_100000217339 [0,2,0,0,0,0|2,0,0]=4 29215 B17R2.1819 NNc1cccc(c1)SCc2cnccn2 62a_100000217339_100016995436 [0,2,0,0,0,0|2,0,0]=4 29216 B17R2.1819 NNc1cccc(c1)SCc2cnccn2 62a_100016995436_100000217339 [0,2,0,0,0,0|2,0,0]=4 29217 B17R2.1819 NNc1cccc(c1)SCc2cncnc2 62a_100000217339_100015196519 [0,2,0,0,0,0|2,0,0]=4 29218 B17R2.1819 NNc1cccc(c1)SCc2cncnc2 62a_100015196519_100000217339 [0,2,0,0,0,0|2,0,0]=4 29219 B17R2.1819 NNc1cccc(n1)SCc2cccnc2 62a_100000741622_100009817029 [0,2,0,0,0,0|2,0,0]=4 29220 B17R2.1819 NNc1cccc(n1)SCc2cccnc2 62a_100009817029_100000741622 [0,2,0,0,0,0|2,0,0]=4 29221 B17R2.1819 NNc1ccnc(c1)SCc2cccnc2 62a_100000089018_100000741622 [0,2,0,0,0,0|2,0,0]=4 29222 B17R2.1819 NNc1ccnc(c1)SCc2cccnc2 62a_100000741622_100000089018 [0,2,0,0,0,0|2,0,0]=4 29223 B17R2.1819 NNc1cncc(c1)C#Cc2ccccc2 271570a_100000069678_100000727789 [0,2,0,0,0,0|1,0,1]=4 29224 B17R2.1819 NNc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100000727789 [0,2,0,0,0,0|1,0,1]=4 29225 B17R2.1819 NNc1cncc(c1)SCc2ccccc2 62a_100000211182_100000727789 [0,2,0,0,0,0|2,0,0]=4 29226 B17R2.1819 NNc1cncc(c1)SCc2ccccc2 62a_100000727789_100015291786 [0,2,0,0,0,0|2,0,0]=4 29227 B17R2.1819 NNc1cncc(c1)SCc2cccnc2 62a_100000727789_100000741622 [0,2,0,0,0,0|2,0,0]=4 29228 B17R2.1819 NNc1cncc(c1)SCc2cccnc2 62a_100000741622_100000727789 [0,2,0,0,0,0|2,0,0]=4 29229 B17R2.1819 O=Cc1cc(ccn1)SCc2cccnc2 62a_100000741622_100011998288 [0,2,0,0,0,0|2,0,0]=4 29230 B17R2.1819 O=Cc1cc(ccn1)SCc2cccnc2 62a_100011998288_100000741622 [0,2,0,0,0,0|2,0,0]=4 29231 B17R2.1819 O=Cc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000014684 [0,2,0,0,0,0|1,0,1]=4 29232 B17R2.1819 O=Cc1cccc(c1)CNc2ccccc2 34a_100000106764_100009816774 [0,2,0,0,0,0|1,0,0]=3 29233 B17R2.1819 O=Cc1cccc(c1)COc2ccccc2 34a_100000210340_100009816774 [0,2,0,0,0,0|2,0,0]=4 29234 B17R2.1819 O=Cc1cccc(c1)COc2ccccc2 7a_100000210340_100009816774 [0,2,0,0,0,0|2,0,0]=4 29235 B17R2.1819 O=Cc1cccc(c1)COc2cccnc2 34a_100000210849_100009816774 [0,2,0,0,0,0|2,0,0]=4 29236 B17R2.1819 O=Cc1cccc(c1)COc2cccnc2 7a_100000210849_100009816774 [0,2,0,0,0,0|2,0,0]=4 29237 B17R2.1819 O=Cc1cccc(c1)CSc2ccccc2 62a_100000719477_100009816774 [0,2,0,0,0,0|2,0,0]=4 29238 B17R2.1819 O=Cc1cccc(c1)CSc2ccccc2 62a_100009816774_100000041952 [0,2,0,0,0,0|2,0,0]=4 29239 B17R2.1819 O=Cc1cccc(c1)CSc2cccnc2 62a_100000210063_100009816774 [0,2,0,0,0,0|2,0,0]=4 29240 B17R2.1819 O=Cc1cccc(c1)CSc2cccnc2 62a_100009816774_100000210063 [0,2,0,0,0,0|2,0,0]=4 29241 B17R2.1819 O=Cc1cccc(c1)SCc2ccccc2 62a_100000014684_100015291786 [0,2,0,0,0,0|2,0,0]=4 29242 B17R2.1819 O=Cc1cccc(c1)SCc2ccccc2 62a_100000211182_100000014684 [0,2,0,0,0,0|2,0,0]=4 29243 B17R2.1819 O=Cc1cccc(c1)SCc2cccnc2 62a_100000014684_100000741622 [0,2,0,0,0,0|1,0,0]=3 29244 B17R2.1819 O=Cc1cccc(c1)SCc2cccnc2 62a_100000741622_100000014684 [0,2,0,0,0,0|1,0,0]=3 29245 B17R2.1819 O=Cc1cccc(c1)SCc2cccnn2 62a_100000014684_100016990269 [0,2,0,0,0,0|2,0,0]=4 29246 B17R2.1819 O=Cc1cccc(c1)SCc2cccnn2 62a_100016990269_100000014684 [0,2,0,0,0,0|2,0,0]=4 29247 B17R2.1819 O=Cc1cccc(c1)SCc2cnccn2 62a_100000014684_100016995436 [0,2,0,0,0,0|2,0,0]=4 29248 B17R2.1819 O=Cc1cccc(c1)SCc2cnccn2 62a_100016995436_100000014684 [0,2,0,0,0,0|2,0,0]=4 29249 B17R2.1819 O=Cc1cccc(c1)SCc2cncnc2 62a_100000014684_100015196519 [0,2,0,0,0,0|2,0,0]=4 29250 B17R2.1819 O=Cc1cccc(c1)SCc2cncnc2 62a_100015196519_100000014684 [0,2,0,0,0,0|2,0,0]=4 29251 B17R2.1819 O=Cc1cccc(n1)SCc2cccnc2 62a_100000688028_100000741622 [0,2,0,0,0,0|2,0,0]=4 29252 B17R2.1819 O=Cc1cccc(n1)SCc2cccnc2 62a_100000741622_100000688028 [0,2,0,0,0,0|2,0,0]=4 29253 B17R2.1819 O=Cc1ccnc(c1)SCc2cccnc2 62a_100000741622_100011290808 [0,2,0,0,0,0|2,0,0]=4 29254 B17R2.1819 O=Cc1ccnc(c1)SCc2cccnc2 62a_100011290808_100000741622 [0,2,0,0,0,0|2,0,0]=4 29255 B17R2.1819 O=Cc1cncc(c1)C#Cc2ccccc2 271570a_100000069678_100000687066 [0,2,0,0,0,0|1,0,1]=4 29256 B17R2.1819 O=Cc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100000687066 [0,2,0,0,0,0|1,0,1]=4 29257 B17R2.1819 O=Cc1cncc(c1)SCc2ccccc2 62a_100000211182_100000687066 [0,2,0,0,0,0|2,0,0]=4 29258 B17R2.1819 O=Cc1cncc(c1)SCc2ccccc2 62a_100000687066_100015291786 [0,2,0,0,0,0|2,0,0]=4 29259 B17R2.1819 O=Cc1cncc(c1)SCc2cccnc2 62a_100000687066_100000741622 [0,2,0,0,0,0|2,0,0]=4 29260 B17R2.1819 O=Cc1cncc(c1)SCc2cccnc2 62a_100000741622_100000687066 [0,2,0,0,0,0|2,0,0]=4 29261 B17R2.1819 OCc1cc(ccn1)NCc2ccccc2 27a_100015324214_100000748867 [0,2,0,0,0,0|2,0,0]=4 29262 B17R2.1819 OCc1cc(ccn1)NCc2cccnc2 27a_100000210453_100000748867 [0,2,0,0,0,0|1,0,0]=3 29263 B17R2.1819 OCc1cc(ccn1)NCc2cccnn2 27a_100159270163_100000748867 [0,2,0,0,0,0|2,0,0]=4 29264 B17R2.1819 OCc1cc(ccn1)NCc2cnccn2 27a_100000737960_100000748867 [0,2,0,0,0,0|2,0,0]=4 29265 B17R2.1819 OCc1cc(ccn1)NCc2cncnc2 27a_100011243677_100000748867 [0,2,0,0,0,0|2,0,0]=4 29266 B17R2.1819 OCc1cc(ccn1)SCc2cccnc2 62a_100000741622_100000748867 [0,2,0,0,0,0|2,0,0]=4 29267 B17R2.1819 OCc1cc(ccn1)SCc2cccnc2 62a_100000748867_100000741622 [0,2,0,0,0,0|2,0,0]=4 29268 B17R2.1819 OCc1cc(ncn1)NCc2cccnc2 27a_100000210453_100000731546 [0,2,0,0,0,0|2,0,0]=4 29269 B17R2.1819 OCc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000687537 [0,2,0,0,0,0|1,0,1]=4 29270 B17R2.1819 OCc1cccc(c1)CNc2ccccc2 207a_100000106764_200000050894 [0,2,0,0,0,0|1,0,0]=3 29271 B17R2.1819 OCc1cccc(c1)CNc2ccccc2 270302a_100000106764_200000050894 [0,2,0,0,0,0|1,0,0]=3 29272 B17R2.1819 OCc1cccc(c1)CNc2ccccc2 34a_100000106764_100010188025 [0,2,0,0,0,0|1,0,0]=3 29273 B17R2.1819 OCc1cccc(c1)COc2ccccc2 34a_100000210340_100010188025 [0,2,0,0,0,0|2,0,0]=4 29274 B17R2.1819 OCc1cccc(c1)COc2ccccc2 7a_100000210340_100010188025 [0,2,0,0,0,0|2,0,0]=4 29275 B17R2.1819 OCc1cccc(c1)COc2cccnc2 34a_100000210849_100010188025 [0,2,0,0,0,0|2,0,0]=4 29276 B17R2.1819 OCc1cccc(c1)COc2cccnc2 7a_100000210849_100010188025 [0,2,0,0,0,0|2,0,0]=4 29277 B17R2.1819 OCc1cccc(c1)CSc2ccccc2 62a_100000719477_100010188025 [0,2,0,0,0,0|2,0,0]=4 29278 B17R2.1819 OCc1cccc(c1)CSc2ccccc2 62a_100010188025_100000041952 [0,2,0,0,0,0|2,0,0]=4 29279 B17R2.1819 OCc1cccc(c1)CSc2cccnc2 62a_100000210063_100010188025 [0,2,0,0,0,0|2,0,0]=4 29280 B17R2.1819 OCc1cccc(c1)CSc2cccnc2 62a_100010188025_100000210063 [0,2,0,0,0,0|2,0,0]=4 29281 B17R2.1819 OCc1cccc(c1)NCc2ccccc2 207a_100000211919_100015611070 [0,2,0,0,0,0|1,0,0]=3 29282 B17R2.1819 OCc1cccc(c1)NCc2ccccc2 2230a_100000211919_100015291786 [0,2,0,0,0,0|1,0,0]=3 29283 B17R2.1819 OCc1cccc(c1)NCc2ccccc2 270302a_100000211919_100015611070 [0,2,0,0,0,0|1,0,0]=3 29284 B17R2.1819 OCc1cccc(c1)NCc2ccccc2 34a_100000211919_100015291786 [0,2,0,0,0,0|1,0,0]=3 29285 B17R2.1819 OCc1cccc(c1)NCc2ccccn2 207a_100000211919_100000209966 [0,2,0,0,0,0|2,0,0]=4 29286 B17R2.1819 OCc1cccc(c1)NCc2ccccn2 2230a_100000211919_100000721315 [0,2,0,0,0,0|2,0,0]=4 29287 B17R2.1819 OCc1cccc(c1)NCc2ccccn2 270302a_100000211919_100000209966 [0,2,0,0,0,0|2,0,0]=4 29288 B17R2.1819 OCc1cccc(c1)NCc2ccccn2 34a_100000211919_100000721315 [0,2,0,0,0,0|2,0,0]=4 29289 B17R2.1819 OCc1cccc(c1)NCc2cccnc2 207a_100000211919_100000209961 [0,2,0,0,0,0|0,0,0]=2 29290 B17R2.1819 OCc1cccc(c1)NCc2cccnc2 2230a_100000211919_100000741622 [0,2,0,0,0,0|0,0,0]=2 29291 B17R2.1819 OCc1cccc(c1)NCc2cccnc2 270302a_100000211919_100000209961 [0,2,0,0,0,0|0,0,0]=2 29292 B17R2.1819 OCc1cccc(c1)NCc2cccnc2 34a_100000211919_100000733263 [0,2,0,0,0,0|0,0,0]=2 29293 B17R2.1819 OCc1cccc(c1)NCc2cccnn2 2230a_100000211919_100016990269 [0,2,0,0,0,0|1,0,0]=3 29294 B17R2.1819 OCc1cccc(c1)NCc2cccnn2 34a_100000211919_100016990269 [0,2,0,0,0,0|1,0,0]=3 29295 B17R2.1819 OCc1cccc(c1)NCc2ccncc2 207a_100000211919_100000186114 [0,2,0,0,0,0|2,0,0]=4 29296 B17R2.1819 OCc1cccc(c1)NCc2ccncc2 2230a_100000211919_100015193705 [0,2,0,0,0,0|2,0,0]=4 29297 B17R2.1819 OCc1cccc(c1)NCc2ccnnc2 270302a_100000211919_100011934578 [0,2,0,0,0,0|1,0,0]=3 29298 B17R2.1819 OCc1cccc(c1)NCc2cnccn2 2230a_100000211919_100016995436 [0,2,0,0,0,0|1,0,0]=3 29299 B17R2.1819 OCc1cccc(c1)NCc2cnccn2 34a_100000211919_100016995436 [0,2,0,0,0,0|1,0,0]=3 29300 B17R2.1819 OCc1cccc(c1)NCc2cncnc2 2230a_100000211919_100015196519 [0,2,0,0,0,0|1,0,0]=3 29301 B17R2.1819 OCc1cccc(c1)NCc2cncnc2 270302a_100000211919_100000749868 [0,2,0,0,0,0|1,0,0]=3 29302 B17R2.1819 OCc1cccc(c1)NCc2cncnc2 34a_100000211919_100015196519 [0,2,0,0,0,0|1,0,0]=3 29303 B17R2.1819 OCc1cccc(c1)OCc2ccccc2 34a_100011214949_100015291786 [0,2,0,0,0,0|2,0,0]=4 29304 B17R2.1819 OCc1cccc(c1)OCc2ccccc2 7a_100011214949_100000211182 [0,2,0,0,0,0|2,0,0]=4 29305 B17R2.1819 OCc1cccc(c1)OCc2cccnc2 34a_100011214949_100000733263 [0,2,0,0,0,0|1,0,0]=3 29306 B17R2.1819 OCc1cccc(c1)OCc2cccnc2 7a_100011214949_100000741622 [0,2,0,0,0,0|1,0,0]=3 29307 B17R2.1819 OCc1cccc(c1)OCc2cccnn2 34a_100011214949_100016990269 [0,2,0,0,0,0|2,0,0]=4 29308 B17R2.1819 OCc1cccc(c1)OCc2cccnn2 7a_100011214949_100016990269 [0,2,0,0,0,0|2,0,0]=4 29309 B17R2.1819 OCc1cccc(c1)OCc2cnccn2 34a_100011214949_100016995436 [0,2,0,0,0,0|2,0,0]=4 29310 B17R2.1819 OCc1cccc(c1)OCc2cnccn2 7a_100011214949_100016995436 [0,2,0,0,0,0|2,0,0]=4 29311 B17R2.1819 OCc1cccc(c1)OCc2cncnc2 34a_100011214949_100015196519 [0,2,0,0,0,0|2,0,0]=4 29312 B17R2.1819 OCc1cccc(c1)OCc2cncnc2 7a_100011214949_100015196519 [0,2,0,0,0,0|2,0,0]=4 29313 B17R2.1819 OCc1cccc(c1)SCc2ccccc2 62a_100000211182_100000687537 [0,2,0,0,0,0|2,0,0]=4 29314 B17R2.1819 OCc1cccc(c1)SCc2ccccc2 62a_100000687537_100015291786 [0,2,0,0,0,0|2,0,0]=4 29315 B17R2.1819 OCc1cccc(c1)SCc2cccnc2 62a_100000687537_100000741622 [0,2,0,0,0,0|1,0,0]=3 29316 B17R2.1819 OCc1cccc(c1)SCc2cccnc2 62a_100000741622_100000687537 [0,2,0,0,0,0|1,0,0]=3 29317 B17R2.1819 OCc1cccc(c1)SCc2cccnn2 62a_100000687537_100016990269 [0,2,0,0,0,0|2,0,0]=4 29318 B17R2.1819 OCc1cccc(c1)SCc2cccnn2 62a_100016990269_100000687537 [0,2,0,0,0,0|2,0,0]=4 29319 B17R2.1819 OCc1cccc(c1)SCc2cnccn2 62a_100000687537_100016995436 [0,2,0,0,0,0|2,0,0]=4 29320 B17R2.1819 OCc1cccc(c1)SCc2cnccn2 62a_100016995436_100000687537 [0,2,0,0,0,0|2,0,0]=4 29321 B17R2.1819 OCc1cccc(c1)SCc2cncnc2 62a_100000687537_100015196519 [0,2,0,0,0,0|2,0,0]=4 29322 B17R2.1819 OCc1cccc(c1)SCc2cncnc2 62a_100015196519_100000687537 [0,2,0,0,0,0|2,0,0]=4 29323 B17R2.1819 OCc1cccc(n1)CNc2ccccc2 207a_100000106764_200000070131 [0,2,0,0,0,0|2,0,0]=4 29324 B17R2.1819 OCc1cccc(n1)CNc2ccccc2 34a_100000106764_100009813551 [0,2,0,0,0,0|2,0,0]=4 29325 B17R2.1819 OCc1cccc(n1)SCc2cccnc2 62a_100000694195_100000741622 [0,2,0,0,0,0|2,0,0]=4 29326 B17R2.1819 OCc1cccc(n1)SCc2cccnc2 62a_100000741622_100000694195 [0,2,0,0,0,0|2,0,0]=4 29327 B17R2.1819 OCc1ccnc(c1)SCc2cccnc2 62a_100000741622_100009814636 [0,2,0,0,0,0|2,0,0]=4 29328 B17R2.1819 OCc1ccnc(c1)SCc2cccnc2 62a_100009814636_100000741622 [0,2,0,0,0,0|2,0,0]=4 29329 B17R2.1819 OCc1cncc(c1)C#Cc2ccccc2 271570a_100000069678_100011259137 [0,2,0,0,0,0|1,0,1]=4 29330 B17R2.1819 OCc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100011259137 [0,2,0,0,0,0|1,0,1]=4 29331 B17R2.1819 OCc1cncc(c1)SCc2ccccc2 62a_100000211182_100011259137 [0,2,0,0,0,0|2,0,0]=4 29332 B17R2.1819 OCc1cncc(c1)SCc2ccccc2 62a_100011259137_100015291786 [0,2,0,0,0,0|2,0,0]=4 29333 B17R2.1819 OCc1cncc(c1)SCc2cccnc2 62a_100000741622_100011259137 [0,2,0,0,0,0|2,0,0]=4 29334 B17R2.1819 OCc1cncc(c1)SCc2cccnc2 62a_100011259137_100000741622 [0,2,0,0,0,0|2,0,0]=4 29335 B17R2.1819 OCc1cncc(n1)NCc2cccnc2 27a_100000210453_100009853123 [0,2,0,0,0,0|2,0,0]=4 29336 B17R2.1819 [13CH3]Nc1cccc(c1)COc2ccccc2 2230a_100000743254_200025704644 [0,2,0,0,0,0|2,0,0]=4 29337 B17R2.1819 [13CH3]Nc1cccc(c1)COc2ccccc2 34a_100000743254_200025704644 [0,2,0,0,0,0|2,0,0]=4 29338 B17R2.1819 [13CH3]Nc1cccc(c1)COc2ccccc2 7a_100000743254_200025704644 [0,2,0,0,0,0|2,0,0]=4 29339 B17R2.1819 [13CH3]Nc1cccc(c1)OCc2ccccc2 2230a_100000744109_200025704644 [0,2,0,0,0,0|2,0,0]=4 29340 B17R2.1819 [13CH3]Nc1cccc(c1)OCc2ccccc2 34a_100000744109_200025704644 [0,2,0,0,0,0|2,0,0]=4 29341 B17R2.1819 [13CH3]Nc1cccc(c1)OCc2ccccc2 7a_100000744109_200025704644 [0,2,0,0,0,0|2,0,0]=4 29342 B17R2.1819 [13CH3]Oc1cccc(c1)CCc2ccccc2 34a_100000090727_200025704644 [0,2,0,0,0,0|2,0,0]=4 29343 B17R2.1819 [13CH3]Oc1cccc(c1)CCc2ccccc2 7a_100000090727_200025704644 [0,2,0,0,0,0|2,0,0]=4 29344 B17R2.1819 [13CH3]Oc1cccc(c1)OCc2ccccc2 34a_100011215993_200025704644 [0,2,0,0,0,0|2,0,0]=4 29345 B17R2.1819 [13CH3]Oc1cccc(c1)OCc2ccccc2 7a_100011215993_200025704644 [0,2,0,0,0,0|2,0,0]=4 29346 B17R2.1819 [13CH3]Sc1cccc(c1)COc2ccccc2 62a_100000173242_200025704644 [0,2,0,0,0,0|2,0,0]=4 29347 B17R2.1819 [13CH3]Sc1cccc(c1)COc2ccccc2 62a_200025704644_100000173242 [0,2,0,0,0,0|2,0,0]=4 29348 B17R2.1819 [13CH3]Sc1cccc(c1)NCc2ccccc2 62a_100000224063_200025704644 [0,2,0,0,0,0|1,0,0]=3 29349 B17R2.1819 [13CH3]Sc1cccc(c1)NCc2ccccc2 62a_200025704644_100000224063 [0,2,0,0,0,0|1,0,0]=3 29350 B17R2.1819 [13CH3]Sc1cccc(c1)OCc2ccccc2 62a_100000151840_200025704644 [0,2,0,0,0,0|2,0,0]=4 29351 B17R2.1819 [13CH3]Sc1cccc(c1)OCc2ccccc2 62a_200025704644_100000151840 [0,2,0,0,0,0|2,0,0]=4 29352 B17R2.1819 [13CH3]Sc1cccc(c1)SCc2ccccc2 62a_100103287807_200025704644 [0,2,0,0,0,0|2,0,0]=4 29353 B17R2.1819 [13CH3]Sc1cccc(c1)SCc2ccccc2 62a_200025704644_100103287807 [0,2,0,0,0,0|2,0,0]=4 29354 B17R2.1819 [13CH3]Sc1cccc(n1)NCc2ccccc2 62a_200011960457_200025704644 [0,2,0,0,0,0|2,0,0]=4 29355 B17R2.1819 [13CH3]Sc1cccc(n1)NCc2ccccc2 62a_200025704644_200011960457 [0,2,0,0,0,0|2,0,0]=4 29356 B17R2.1819 [13CH3]Sc1cncc(c1)OCc2ccccc2 62a_100012029532_200025704644 [0,2,0,0,0,0|2,0,0]=4 29357 B17R2.1819 [13CH3]Sc1cncc(c1)OCc2ccccc2 62a_200025704644_100012029532 [0,2,0,0,0,0|2,0,0]=4 29358 B17R2.3212 Brc1cc(cc(c1)C=Cc2cccnc2)Br 271570a_100102525586_100009814770 [0,2,0,0,0,0|1,0,1]=4 29359 B17R2.3212 Brc1cc(cc(c1)CNc2ccccc2)Br 207a_100000106764_100000719502 [0,2,0,0,0,0|1,0,0]=3 29360 B17R2.3212 Brc1cc(cc(c1)CNc2ccccc2)Br 270302a_100000106764_100000719502 [0,2,0,0,0,0|1,0,0]=3 29361 B17R2.3212 Brc1cc(cc(c1)CNc2ccccc2)Br 34a_100000106764_100011216082 [0,2,0,0,0,0|1,0,0]=3 29362 B17R2.3212 Brc1cc(cc(c1)CNc2ccccc2)I 207a_100000106764_100010185649 [0,2,0,0,0,0|1,0,0]=3 29363 B17R2.3212 Brc1cc(cc(c1)CNc2ccccc2)I 270302a_100000106764_100010185649 [0,2,0,0,0,0|1,0,0]=3 29364 B17R2.3212 Brc1cc(cc(c1)CNc2ccccc2)I 34a_100000106764_100010146614 [0,2,0,0,0,0|1,0,0]=3 29365 B17R2.3212 Brc1cc(cc(c1)COc2ccccc2)Br 34a_100000210340_100011216082 [0,2,0,0,0,0|2,0,0]=4 29366 B17R2.3212 Brc1cc(cc(c1)COc2ccccc2)Br 7a_100000210340_100011216082 [0,2,0,0,0,0|2,0,0]=4 29367 B17R2.3212 Brc1cc(cc(c1)COc2ccccc2)I 34a_100000210340_100010146614 [0,2,0,0,0,0|2,0,0]=4 29368 B17R2.3212 Brc1cc(cc(c1)COc2ccccc2)I 7a_100000210340_100010146614 [0,2,0,0,0,0|2,0,0]=4 29369 B17R2.3212 Brc1cc(cc(c1)COc2cccnc2)Br 34a_100000210849_100011216082 [0,2,0,0,0,0|2,0,0]=4 29370 B17R2.3212 Brc1cc(cc(c1)COc2cccnc2)Br 7a_100000210849_100011216082 [0,2,0,0,0,0|2,0,0]=4 29371 B17R2.3212 Brc1cc(cc(c1)COc2cccnc2)I 34a_100000210849_100010146614 [0,2,0,0,0,0|2,0,0]=4 29372 B17R2.3212 Brc1cc(cc(c1)COc2cccnc2)I 7a_100000210849_100010146614 [0,2,0,0,0,0|2,0,0]=4 29373 B17R2.3212 Brc1cc(cc(c1)CSc2ccccc2)Br 62a_100000719477_100011216082 [0,2,0,0,0,0|2,0,0]=4 29374 B17R2.3212 Brc1cc(cc(c1)CSc2ccccc2)Br 62a_100011216082_100000041952 [0,2,0,0,0,0|2,0,0]=4 29375 B17R2.3212 Brc1cc(cc(c1)CSc2ccccc2)I 62a_100000719477_100010146614 [0,2,0,0,0,0|2,0,0]=4 29376 B17R2.3212 Brc1cc(cc(c1)CSc2ccccc2)I 62a_100010146614_100000041952 [0,2,0,0,0,0|2,0,0]=4 29377 B17R2.3212 Brc1cc(cc(c1)CSc2cccnc2)Br 62a_100000210063_100011216082 [0,2,0,0,0,0|2,0,0]=4 29378 B17R2.3212 Brc1cc(cc(c1)CSc2cccnc2)Br 62a_100011216082_100000210063 [0,2,0,0,0,0|2,0,0]=4 29379 B17R2.3212 Brc1cc(cc(c1)CSc2cccnc2)I 62a_100000210063_100010146614 [0,2,0,0,0,0|2,0,0]=4 29380 B17R2.3212 Brc1cc(cc(c1)CSc2cccnc2)I 62a_100010146614_100000210063 [0,2,0,0,0,0|2,0,0]=4 29381 B17R2.3212 Brc1cc(cc(c1)NCc2ccccc2)Br 207a_100012047176_100015611070 [0,2,0,0,0,0|1,0,0]=3 29382 B17R2.3212 Brc1cc(cc(c1)NCc2ccccc2)Br 270302a_100012047176_100015611070 [0,2,0,0,0,0|1,0,0]=3 29383 B17R2.3212 Brc1cc(cc(c1)NCc2ccccc2)Br 27a_100015324214_100009814770 [0,2,0,0,0,0|1,0,0]=3 29384 B17R2.3212 Brc1cc(cc(c1)NCc2ccccc2)Br 34a_100012047176_100015291786 [0,2,0,0,0,0|1,0,0]=3 29385 B17R2.3212 Brc1cc(cc(c1)NCc2ccccc2)Br 7a_100012047176_100000211182 [0,2,0,0,0,0|1,0,0]=3 29386 B17R2.3212 Brc1cc(cc(c1)NCc2ccccc2)I 207a_100009814763_100015611070 [0,2,0,0,0,0|1,0,0]=3 29387 B17R2.3212 Brc1cc(cc(c1)NCc2ccccc2)I 270302a_100009814763_100015611070 [0,2,0,0,0,0|1,0,0]=3 29388 B17R2.3212 Brc1cc(cc(c1)NCc2ccccc2)I 7a_100009814763_100000211182 [0,2,0,0,0,0|1,0,0]=3 29389 B17R2.3212 Brc1cc(cc(c1)NCc2ccccn2)Br 207a_100012047176_100000209966 [0,2,0,0,0,0|2,0,0]=4 29390 B17R2.3212 Brc1cc(cc(c1)NCc2ccccn2)Br 270302a_100012047176_100000209966 [0,2,0,0,0,0|2,0,0]=4 29391 B17R2.3212 Brc1cc(cc(c1)NCc2ccccn2)Br 27a_100000210449_100009814770 [0,2,0,0,0,0|2,0,0]=4 29392 B17R2.3212 Brc1cc(cc(c1)NCc2ccccn2)Br 34a_100012047176_100000721315 [0,2,0,0,0,0|2,0,0]=4 29393 B17R2.3212 Brc1cc(cc(c1)NCc2ccccn2)Br 7a_100012047176_100000721315 [0,2,0,0,0,0|2,0,0]=4 29394 B17R2.3212 Brc1cc(cc(c1)NCc2ccccn2)I 207a_100009814763_100000209966 [0,2,0,0,0,0|2,0,0]=4 29395 B17R2.3212 Brc1cc(cc(c1)NCc2ccccn2)I 270302a_100009814763_100000209966 [0,2,0,0,0,0|2,0,0]=4 29396 B17R2.3212 Brc1cc(cc(c1)NCc2ccccn2)I 7a_100009814763_100000721315 [0,2,0,0,0,0|2,0,0]=4 29397 B17R2.3212 Brc1cc(cc(c1)NCc2cccnc2)Br 207a_100012047176_100000209961 [0,2,0,0,0,0|0,0,0]=2 29398 B17R2.3212 Brc1cc(cc(c1)NCc2cccnc2)Br 270302a_100012047176_100000209961 [0,2,0,0,0,0|0,0,0]=2 29399 B17R2.3212 Brc1cc(cc(c1)NCc2cccnc2)Br 27a_100000210453_100009814770 [0,2,0,0,0,0|0,0,0]=2 29400 B17R2.3212 Brc1cc(cc(c1)NCc2cccnc2)Br 34a_100012047176_100000733263 [0,2,0,0,0,0|0,0,0]=2 29401 B17R2.3212 Brc1cc(cc(c1)NCc2cccnc2)Br 7a_100012047176_100000741622 [0,2,0,0,0,0|0,0,0]=2 29402 B17R2.3212 Brc1cc(cc(c1)NCc2cccnc2)I 207a_100009814763_100000209961 [0,2,0,0,0,0|0,0,0]=2 29403 B17R2.3212 Brc1cc(cc(c1)NCc2cccnc2)I 270302a_100009814763_100000209961 [0,2,0,0,0,0|0,0,0]=2 29404 B17R2.3212 Brc1cc(cc(c1)NCc2cccnc2)I 7a_100009814763_100000741622 [0,2,0,0,0,0|0,0,0]=2 29405 B17R2.3212 Brc1cc(cc(c1)NCc2cccnn2)Br 27a_100159270163_100009814770 [0,2,0,0,0,0|1,0,0]=3 29406 B17R2.3212 Brc1cc(cc(c1)NCc2cccnn2)Br 34a_100012047176_100016990269 [0,2,0,0,0,0|1,0,0]=3 29407 B17R2.3212 Brc1cc(cc(c1)NCc2cccnn2)Br 7a_100012047176_100016990269 [0,2,0,0,0,0|1,0,0]=3 29408 B17R2.3212 Brc1cc(cc(c1)NCc2cccnn2)I 7a_100009814763_100016990269 [0,2,0,0,0,0|1,0,0]=3 29409 B17R2.3212 Brc1cc(cc(c1)NCc2ccncc2)Br 207a_100012047176_100000186114 [0,2,0,0,0,0|2,0,0]=4 29410 B17R2.3212 Brc1cc(cc(c1)NCc2ccncc2)Br 27a_100000210450_100009814770 [0,2,0,0,0,0|2,0,0]=4 29411 B17R2.3212 Brc1cc(cc(c1)NCc2ccncc2)Br 7a_100012047176_100015193705 [0,2,0,0,0,0|2,0,0]=4 29412 B17R2.3212 Brc1cc(cc(c1)NCc2ccncc2)I 207a_100009814763_100000186114 [0,2,0,0,0,0|2,0,0]=4 29413 B17R2.3212 Brc1cc(cc(c1)NCc2ccncc2)I 7a_100009814763_100015193705 [0,2,0,0,0,0|2,0,0]=4 29414 B17R2.3212 Brc1cc(cc(c1)NCc2ccnnc2)Br 270302a_100012047176_100011934578 [0,2,0,0,0,0|1,0,0]=3 29415 B17R2.3212 Brc1cc(cc(c1)NCc2ccnnc2)I 270302a_100009814763_100011934578 [0,2,0,0,0,0|1,0,0]=3 29416 B17R2.3212 Brc1cc(cc(c1)NCc2cnccn2)Br 27a_100000737960_100009814770 [0,2,0,0,0,0|1,0,0]=3 29417 B17R2.3212 Brc1cc(cc(c1)NCc2cnccn2)Br 34a_100012047176_100016995436 [0,2,0,0,0,0|1,0,0]=3 29418 B17R2.3212 Brc1cc(cc(c1)NCc2cnccn2)Br 7a_100012047176_100016995436 [0,2,0,0,0,0|1,0,0]=3 29419 B17R2.3212 Brc1cc(cc(c1)NCc2cnccn2)I 7a_100009814763_100016995436 [0,2,0,0,0,0|1,0,0]=3 29420 B17R2.3212 Brc1cc(cc(c1)NCc2cncnc2)Br 270302a_100012047176_100000749868 [0,2,0,0,0,0|1,0,0]=3 29421 B17R2.3212 Brc1cc(cc(c1)NCc2cncnc2)Br 27a_100011243677_100009814770 [0,2,0,0,0,0|1,0,0]=3 29422 B17R2.3212 Brc1cc(cc(c1)NCc2cncnc2)Br 34a_100012047176_100015196519 [0,2,0,0,0,0|1,0,0]=3 29423 B17R2.3212 Brc1cc(cc(c1)NCc2cncnc2)Br 7a_100012047176_100015196519 [0,2,0,0,0,0|1,0,0]=3 29424 B17R2.3212 Brc1cc(cc(c1)NCc2cncnc2)I 270302a_100009814763_100000749868 [0,2,0,0,0,0|1,0,0]=3 29425 B17R2.3212 Brc1cc(cc(c1)NCc2cncnc2)I 7a_100009814763_100015196519 [0,2,0,0,0,0|1,0,0]=3 29426 B17R2.3212 Brc1cc(cc(c1)OCc2ccccc2)Br 34a_100010167048_100015291786 [0,2,0,0,0,0|2,0,0]=4 29427 B17R2.3212 Brc1cc(cc(c1)OCc2ccccc2)Br 7a_100010167048_100000211182 [0,2,0,0,0,0|2,0,0]=4 29428 B17R2.3212 Brc1cc(cc(c1)OCc2ccccc2)I 34a_100010068917_100015291786 [0,2,0,0,0,0|2,0,0]=4 29429 B17R2.3212 Brc1cc(cc(c1)OCc2ccccc2)I 7a_100010068917_100000211182 [0,2,0,0,0,0|2,0,0]=4 29430 B17R2.3212 Brc1cc(cc(c1)OCc2cccnc2)Br 34a_100010167048_100000733263 [0,2,0,0,0,0|1,0,0]=3 29431 B17R2.3212 Brc1cc(cc(c1)OCc2cccnc2)Br 7a_100010167048_100000741622 [0,2,0,0,0,0|1,0,0]=3 29432 B17R2.3212 Brc1cc(cc(c1)OCc2cccnc2)I 34a_100010068917_100000733263 [0,2,0,0,0,0|1,0,0]=3 29433 B17R2.3212 Brc1cc(cc(c1)OCc2cccnc2)I 7a_100010068917_100000741622 [0,2,0,0,0,0|1,0,0]=3 29434 B17R2.3212 Brc1cc(cc(c1)OCc2cccnn2)Br 34a_100010167048_100016990269 [0,2,0,0,0,0|2,0,0]=4 29435 B17R2.3212 Brc1cc(cc(c1)OCc2cccnn2)Br 7a_100010167048_100016990269 [0,2,0,0,0,0|2,0,0]=4 29436 B17R2.3212 Brc1cc(cc(c1)OCc2cccnn2)I 34a_100010068917_100016990269 [0,2,0,0,0,0|2,0,0]=4 29437 B17R2.3212 Brc1cc(cc(c1)OCc2cccnn2)I 7a_100010068917_100016990269 [0,2,0,0,0,0|2,0,0]=4 29438 B17R2.3212 Brc1cc(cc(c1)OCc2cnccn2)Br 34a_100010167048_100016995436 [0,2,0,0,0,0|2,0,0]=4 29439 B17R2.3212 Brc1cc(cc(c1)OCc2cnccn2)Br 7a_100010167048_100016995436 [0,2,0,0,0,0|2,0,0]=4 29440 B17R2.3212 Brc1cc(cc(c1)OCc2cnccn2)I 34a_100010068917_100016995436 [0,2,0,0,0,0|2,0,0]=4 29441 B17R2.3212 Brc1cc(cc(c1)OCc2cnccn2)I 7a_100010068917_100016995436 [0,2,0,0,0,0|2,0,0]=4 29442 B17R2.3212 Brc1cc(cc(c1)OCc2cncnc2)Br 34a_100010167048_100015196519 [0,2,0,0,0,0|2,0,0]=4 29443 B17R2.3212 Brc1cc(cc(c1)OCc2cncnc2)Br 7a_100010167048_100015196519 [0,2,0,0,0,0|2,0,0]=4 29444 B17R2.3212 Brc1cc(cc(c1)OCc2cncnc2)I 34a_100010068917_100015196519 [0,2,0,0,0,0|2,0,0]=4 29445 B17R2.3212 Brc1cc(cc(c1)OCc2cncnc2)I 7a_100010068917_100015196519 [0,2,0,0,0,0|2,0,0]=4 29446 B17R2.3212 Brc1cc(cc(c1)SCc2ccccc2)Br 62a_100000211182_100009814770 [0,2,0,0,0,0|2,0,0]=4 29447 B17R2.3212 Brc1cc(cc(c1)SCc2ccccc2)Br 62a_100009814770_100015291786 [0,2,0,0,0,0|2,0,0]=4 29448 B17R2.3212 Brc1cc(cc(c1)SCc2cccnc2)Br 62a_100000741622_100009814770 [0,2,0,0,0,0|1,0,0]=3 29449 B17R2.3212 Brc1cc(cc(c1)SCc2cccnc2)Br 62a_100009814770_100000741622 [0,2,0,0,0,0|1,0,0]=3 29450 B17R2.3212 Brc1cc(cc(c1)SCc2cccnn2)Br 62a_100009814770_100016990269 [0,2,0,0,0,0|2,0,0]=4 29451 B17R2.3212 Brc1cc(cc(c1)SCc2cccnn2)Br 62a_100016990269_100009814770 [0,2,0,0,0,0|2,0,0]=4 29452 B17R2.3212 Brc1cc(cc(c1)SCc2cnccn2)Br 62a_100009814770_100016995436 [0,2,0,0,0,0|2,0,0]=4 29453 B17R2.3212 Brc1cc(cc(c1)SCc2cnccn2)Br 62a_100016995436_100009814770 [0,2,0,0,0,0|2,0,0]=4 29454 B17R2.3212 Brc1cc(cc(c1)SCc2cncnc2)Br 62a_100009814770_100015196519 [0,2,0,0,0,0|2,0,0]=4 29455 B17R2.3212 Brc1cc(cc(c1)SCc2cncnc2)Br 62a_100015196519_100009814770 [0,2,0,0,0,0|2,0,0]=4 29456 B17R2.3212 Brc1cc(cc(n1)Br)OCc2cccnc2 34a_100010172823_100000733263 [0,2,0,0,0,0|2,0,0]=4 29457 B17R2.3212 Brc1cc(cc(n1)Br)OCc2cccnc2 7a_100010172823_100000741622 [0,2,0,0,0,0|2,0,0]=4 29458 B17R2.3212 Cc1cc(=O)cc(o1)OCc2cccnc2 34a_100016989201_100000733263 [0,2,0,0,0,0|2,0,0]=4 29459 B17R2.3212 Cc1cc(cc(=O)[nH]1)NCc2ccccc2 27a_100015324214_100009861981 [0,2,0,0,0,0|2,0,0]=4 29460 B17R2.3212 Cc1cc(cc(=O)[nH]1)NCc2cccnc2 27a_100000210453_100009861981 [0,2,0,0,0,0|1,0,0]=3 29461 B17R2.3212 Cc1cc(cc(=O)[nH]1)NCc2cccnn2 27a_100159270163_100009861981 [0,2,0,0,0,0|2,0,0]=4 29462 B17R2.3212 Cc1cc(cc(=O)[nH]1)NCc2cnccn2 27a_100000737960_100009861981 [0,2,0,0,0,0|2,0,0]=4 29463 B17R2.3212 Cc1cc(cc(=O)[nH]1)NCc2cncnc2 27a_100011243677_100009861981 [0,2,0,0,0,0|2,0,0]=4 29464 B17R2.3212 Cc1cc(cc(=O)[nH]1)OCc2cccnc2 34a_100000039070_100000733263 [0,2,0,0,0,0|2,0,0]=4 29465 B17R2.3212 Cc1cc(cc(=O)[nH]1)SCc2cccnc2 62a_100000741622_100009861981 [0,2,0,0,0,0|2,0,0]=4 29466 B17R2.3212 Cc1cc(cc(=O)[nH]1)SCc2cccnc2 62a_100009861981_100000741622 [0,2,0,0,0,0|2,0,0]=4 29467 B17R2.3212 Cc1cc(cc(=O)o1)OCc2cccnc2 34a_100000210952_100000733263 [0,2,0,0,0,0|2,0,0]=4 29468 B17R2.3212 Cc1cc(cc(=O)o1)OCc2cccnc2 7a_100000210952_100000741622 [0,2,0,0,0,0|2,0,0]=4 29469 B17R2.3212 Cc1cc(cc(c1)C=Cc2cccnc2)C 271570a_100102525586_100011215608 [0,2,0,0,0,0|1,0,1]=4 29470 B17R2.3212 Cc1cc(cc(c1)C=Cc2cccnc2)Cl 271570a_100102525586_100010172791 [0,2,0,0,0,0|1,0,1]=4 29471 B17R2.3212 Cc1cc(cc(c1)C=Cc2cccnc2)F 271570a_100102525586_100011356977 [0,2,0,0,0,0|1,0,1]=4 29472 B17R2.3212 Cc1cc(cc(c1)C=Cc2cccnc2)N 271570a_100102525586_100000695972 [0,2,0,0,0,0|1,0,1]=4 29473 B17R2.3212 Cc1cc(cc(c1)C=Cc2cccnc2)O 271570a_100102525586_100011999630 [0,2,0,0,0,0|1,0,1]=4 29474 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)Br 207a_100000106764_100000686105 [0,2,0,0,0,0|1,0,0]=3 29475 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)Br 270302a_100000106764_100000686105 [0,2,0,0,0,0|1,0,0]=3 29476 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)Br 34a_100000106764_100012348363 [0,2,0,0,0,0|1,0,0]=3 29477 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)C 207a_100000106764_100000745632 [0,2,0,0,0,0|1,0,0]=3 29478 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)C 270302a_100000106764_100000745632 [0,2,0,0,0,0|1,0,0]=3 29479 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)C 34a_100000106764_100000181317 [0,2,0,0,0,0|1,0,0]=3 29480 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)Cl 207a_100000106764_100000684525 [0,2,0,0,0,0|1,0,0]=3 29481 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)Cl 270302a_100000106764_100000684525 [0,2,0,0,0,0|1,0,0]=3 29482 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)F 207a_100000106764_100011217087 [0,2,0,0,0,0|1,0,0]=3 29483 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)F 270302a_100000106764_100011217087 [0,2,0,0,0,0|1,0,0]=3 29484 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)F 34a_100000106764_100011219130 [0,2,0,0,0,0|1,0,0]=3 29485 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)O 207a_100000106764_100009853434 [0,2,0,0,0,0|1,0,0]=3 29486 B17R2.3212 Cc1cc(cc(c1)COc2ccccc2)Br 34a_100000210340_100012348363 [0,2,0,0,0,0|2,0,0]=4 29487 B17R2.3212 Cc1cc(cc(c1)COc2ccccc2)Br 7a_100000210340_100012348363 [0,2,0,0,0,0|2,0,0]=4 29488 B17R2.3212 Cc1cc(cc(c1)COc2ccccc2)C 34a_100000210340_100000181317 [0,2,0,0,0,0|2,0,0]=4 29489 B17R2.3212 Cc1cc(cc(c1)COc2ccccc2)C 7a_100000210340_100000181317 [0,2,0,0,0,0|2,0,0]=4 29490 B17R2.3212 Cc1cc(cc(c1)COc2ccccc2)F 34a_100000210340_100011219130 [0,2,0,0,0,0|2,0,0]=4 29491 B17R2.3212 Cc1cc(cc(c1)COc2ccccc2)F 7a_100000210340_100011219130 [0,2,0,0,0,0|2,0,0]=4 29492 B17R2.3212 Cc1cc(cc(c1)COc2cccnc2)Br 34a_100000210849_100012348363 [0,2,0,0,0,0|2,0,0]=4 29493 B17R2.3212 Cc1cc(cc(c1)COc2cccnc2)Br 7a_100000210849_100012348363 [0,2,0,0,0,0|2,0,0]=4 29494 B17R2.3212 Cc1cc(cc(c1)COc2cccnc2)C 34a_100000210849_100000181317 [0,2,0,0,0,0|2,0,0]=4 29495 B17R2.3212 Cc1cc(cc(c1)COc2cccnc2)C 7a_100000210849_100000181317 [0,2,0,0,0,0|2,0,0]=4 29496 B17R2.3212 Cc1cc(cc(c1)COc2cccnc2)F 34a_100000210849_100011219130 [0,2,0,0,0,0|2,0,0]=4 29497 B17R2.3212 Cc1cc(cc(c1)COc2cccnc2)F 7a_100000210849_100011219130 [0,2,0,0,0,0|2,0,0]=4 29498 B17R2.3212 Cc1cc(cc(c1)CSc2ccccc2)Br 62a_100000719477_100012348363 [0,2,0,0,0,0|2,0,0]=4 29499 B17R2.3212 Cc1cc(cc(c1)CSc2ccccc2)Br 62a_100012348363_100000041952 [0,2,0,0,0,0|2,0,0]=4 29500 B17R2.3212 Cc1cc(cc(c1)CSc2ccccc2)C 62a_100000181317_100000041952 [0,2,0,0,0,0|2,0,0]=4 29501 B17R2.3212 Cc1cc(cc(c1)CSc2ccccc2)C 62a_100000719477_100000181317 [0,2,0,0,0,0|2,0,0]=4 29502 B17R2.3212 Cc1cc(cc(c1)CSc2ccccc2)F 62a_100000719477_100011219130 [0,2,0,0,0,0|2,0,0]=4 29503 B17R2.3212 Cc1cc(cc(c1)CSc2ccccc2)F 62a_100011219130_100000041952 [0,2,0,0,0,0|2,0,0]=4 29504 B17R2.3212 Cc1cc(cc(c1)CSc2cccnc2)Br 62a_100000210063_100012348363 [0,2,0,0,0,0|2,0,0]=4 29505 B17R2.3212 Cc1cc(cc(c1)CSc2cccnc2)Br 62a_100012348363_100000210063 [0,2,0,0,0,0|2,0,0]=4 29506 B17R2.3212 Cc1cc(cc(c1)CSc2cccnc2)C 62a_100000181317_100000210063 [0,2,0,0,0,0|2,0,0]=4 29507 B17R2.3212 Cc1cc(cc(c1)CSc2cccnc2)C 62a_100000210063_100000181317 [0,2,0,0,0,0|2,0,0]=4 29508 B17R2.3212 Cc1cc(cc(c1)CSc2cccnc2)F 62a_100000210063_100011219130 [0,2,0,0,0,0|2,0,0]=4 29509 B17R2.3212 Cc1cc(cc(c1)CSc2cccnc2)F 62a_100011219130_100000210063 [0,2,0,0,0,0|2,0,0]=4 29510 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)Br 207a_100000695972_100015611070 [0,2,0,0,0,0|1,0,0]=3 29511 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)Br 270302a_100000695972_100015611070 [0,2,0,0,0,0|1,0,0]=3 29512 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)Br 34a_100000695972_100015291786 [0,2,0,0,0,0|1,0,0]=3 29513 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)Br 7a_100000695972_100000211182 [0,2,0,0,0,0|1,0,0]=3 29514 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)C 207a_100000210930_100015611070 [0,2,0,0,0,0|1,0,0]=3 29515 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)C 2230a_100000210930_100015291786 [0,2,0,0,0,0|1,0,0]=3 29516 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)C 270302a_100000210930_100015611070 [0,2,0,0,0,0|1,0,0]=3 29517 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)C 34a_100000210930_100015291786 [0,2,0,0,0,0|1,0,0]=3 29518 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)C 7a_100000210930_100000211182 [0,2,0,0,0,0|1,0,0]=3 29519 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)Cl 207a_100012022512_100015611070 [0,2,0,0,0,0|1,0,0]=3 29520 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)Cl 2230a_100012022512_100015291786 [0,2,0,0,0,0|1,0,0]=3 29521 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)Cl 270302a_100012022512_100015611070 [0,2,0,0,0,0|1,0,0]=3 29522 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)Cl 34a_100012022512_100015291786 [0,2,0,0,0,0|1,0,0]=3 29523 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)Cl 7a_100012022512_100000211182 [0,2,0,0,0,0|1,0,0]=3 29524 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)F 207a_100000742734_100015611070 [0,2,0,0,0,0|1,0,0]=3 29525 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)F 2230a_100000742734_100015291786 [0,2,0,0,0,0|1,0,0]=3 29526 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)F 270302a_100000742734_100015611070 [0,2,0,0,0,0|1,0,0]=3 29527 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)F 34a_100000742734_100015291786 [0,2,0,0,0,0|1,0,0]=3 29528 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)F 7a_100000742734_100000211182 [0,2,0,0,0,0|1,0,0]=3 29529 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)O 270302a_100011995906_100015611070 [0,2,0,0,0,0|1,0,0]=3 29530 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)O 34a_100011995906_100015291786 [0,2,0,0,0,0|1,0,0]=3 29531 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)O 7a_100011995906_100000211182 [0,2,0,0,0,0|1,0,0]=3 29532 B17R2.3212 Cc1cc(cc(c1)NCc2ccccn2)Br 207a_100000695972_100000209966 [0,2,0,0,0,0|2,0,0]=4 29533 B17R2.3212 Cc1cc(cc(c1)NCc2ccccn2)Br 270302a_100000695972_100000209966 [0,2,0,0,0,0|2,0,0]=4 29534 B17R2.3212 Cc1cc(cc(c1)NCc2ccccn2)Br 34a_100000695972_100000721315 [0,2,0,0,0,0|2,0,0]=4 29535 B17R2.3212 Cc1cc(cc(c1)NCc2ccccn2)Br 7a_100000695972_100000721315 [0,2,0,0,0,0|2,0,0]=4 29536 B17R2.3212 Cc1cc(cc(c1)NCc2ccccn2)C 207a_100000210930_100000209966 [0,2,0,0,0,0|2,0,0]=4 29537 B17R2.3212 Cc1cc(cc(c1)NCc2ccccn2)C 2230a_100000210930_100000721315 [0,2,0,0,0,0|2,0,0]=4 29538 B17R2.3212 Cc1cc(cc(c1)NCc2ccccn2)C 270302a_100000210930_100000209966 [0,2,0,0,0,0|2,0,0]=4 29539 B17R2.3212 Cc1cc(cc(c1)NCc2ccccn2)C 34a_100000210930_100000721315 [0,2,0,0,0,0|2,0,0]=4 29540 B17R2.3212 Cc1cc(cc(c1)NCc2ccccn2)C 7a_100000210930_100000721315 [0,2,0,0,0,0|2,0,0]=4 29541 B17R2.3212 Cc1cc(cc(c1)NCc2ccccn2)Cl 207a_100012022512_100000209966 [0,2,0,0,0,0|2,0,0]=4 29542 B17R2.3212 Cc1cc(cc(c1)NCc2ccccn2)Cl 2230a_100012022512_100000721315 [0,2,0,0,0,0|2,0,0]=4 29543 B17R2.3212 Cc1cc(cc(c1)NCc2ccccn2)Cl 270302a_100012022512_100000209966 [0,2,0,0,0,0|2,0,0]=4 29544 B17R2.3212 Cc1cc(cc(c1)NCc2ccccn2)Cl 34a_100012022512_100000721315 [0,2,0,0,0,0|2,0,0]=4 29545 B17R2.3212 Cc1cc(cc(c1)NCc2ccccn2)Cl 7a_100012022512_100000721315 [0,2,0,0,0,0|2,0,0]=4 29546 B17R2.3212 Cc1cc(cc(c1)NCc2ccccn2)F 207a_100000742734_100000209966 [0,2,0,0,0,0|2,0,0]=4 29547 B17R2.3212 Cc1cc(cc(c1)NCc2ccccn2)F 2230a_100000742734_100000721315 [0,2,0,0,0,0|2,0,0]=4 29548 B17R2.3212 Cc1cc(cc(c1)NCc2ccccn2)F 270302a_100000742734_100000209966 [0,2,0,0,0,0|2,0,0]=4 29549 B17R2.3212 Cc1cc(cc(c1)NCc2ccccn2)F 34a_100000742734_100000721315 [0,2,0,0,0,0|2,0,0]=4 29550 B17R2.3212 Cc1cc(cc(c1)NCc2ccccn2)F 7a_100000742734_100000721315 [0,2,0,0,0,0|2,0,0]=4 29551 B17R2.3212 Cc1cc(cc(c1)NCc2ccccn2)O 270302a_100011995906_100000209966 [0,2,0,0,0,0|2,0,0]=4 29552 B17R2.3212 Cc1cc(cc(c1)NCc2ccccn2)O 34a_100011995906_100000721315 [0,2,0,0,0,0|2,0,0]=4 29553 B17R2.3212 Cc1cc(cc(c1)NCc2ccccn2)O 7a_100011995906_100000721315 [0,2,0,0,0,0|2,0,0]=4 29554 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)Br 207a_100000695972_100000209961 [0,2,0,0,0,0|0,0,0]=2 29555 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)Br 270302a_100000695972_100000209961 [0,2,0,0,0,0|0,0,0]=2 29556 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)Br 34a_100000695972_100000733263 [0,2,0,0,0,0|0,0,0]=2 29557 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)Br 7a_100000695972_100000741622 [0,2,0,0,0,0|0,0,0]=2 29558 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)C 207a_100000210930_100000209961 [0,2,0,0,0,0|0,0,0]=2 29559 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)C 2230a_100000210930_100000741622 [0,2,0,0,0,0|0,0,0]=2 29560 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)C 270302a_100000210930_100000209961 [0,2,0,0,0,0|0,0,0]=2 29561 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)C 34a_100000210930_100000733263 [0,2,0,0,0,0|0,0,0]=2 29562 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)C 7a_100000210930_100000741622 [0,2,0,0,0,0|0,0,0]=2 29563 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)Cl 207a_100012022512_100000209961 [0,2,0,0,0,0|0,0,0]=2 29564 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)Cl 2230a_100012022512_100000741622 [0,2,0,0,0,0|0,0,0]=2 29565 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)Cl 270302a_100012022512_100000209961 [0,2,0,0,0,0|0,0,0]=2 29566 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)Cl 34a_100012022512_100000733263 [0,2,0,0,0,0|0,0,0]=2 29567 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)Cl 7a_100012022512_100000741622 [0,2,0,0,0,0|0,0,0]=2 29568 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)F 207a_100000742734_100000209961 [0,2,0,0,0,0|0,0,0]=2 29569 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)F 2230a_100000742734_100000741622 [0,2,0,0,0,0|0,0,0]=2 29570 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)F 270302a_100000742734_100000209961 [0,2,0,0,0,0|0,0,0]=2 29571 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)F 34a_100000742734_100000733263 [0,2,0,0,0,0|0,0,0]=2 29572 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)F 7a_100000742734_100000741622 [0,2,0,0,0,0|0,0,0]=2 29573 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)O 270302a_100011995906_100000209961 [0,2,0,0,0,0|0,0,0]=2 29574 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)O 34a_100011995906_100000733263 [0,2,0,0,0,0|0,0,0]=2 29575 B17R2.3212 Cc1cc(cc(c1)NCc2cccnc2)O 7a_100011995906_100000741622 [0,2,0,0,0,0|0,0,0]=2 29576 B17R2.3212 Cc1cc(cc(c1)NCc2cccnn2)Br 34a_100000695972_100016990269 [0,2,0,0,0,0|1,0,0]=3 29577 B17R2.3212 Cc1cc(cc(c1)NCc2cccnn2)Br 7a_100000695972_100016990269 [0,2,0,0,0,0|1,0,0]=3 29578 B17R2.3212 Cc1cc(cc(c1)NCc2cccnn2)C 2230a_100000210930_100016990269 [0,2,0,0,0,0|1,0,0]=3 29579 B17R2.3212 Cc1cc(cc(c1)NCc2cccnn2)C 34a_100000210930_100016990269 [0,2,0,0,0,0|1,0,0]=3 29580 B17R2.3212 Cc1cc(cc(c1)NCc2cccnn2)C 7a_100000210930_100016990269 [0,2,0,0,0,0|1,0,0]=3 29581 B17R2.3212 Cc1cc(cc(c1)NCc2cccnn2)Cl 2230a_100012022512_100016990269 [0,2,0,0,0,0|1,0,0]=3 29582 B17R2.3212 Cc1cc(cc(c1)NCc2cccnn2)Cl 34a_100012022512_100016990269 [0,2,0,0,0,0|1,0,0]=3 29583 B17R2.3212 Cc1cc(cc(c1)NCc2cccnn2)Cl 7a_100012022512_100016990269 [0,2,0,0,0,0|1,0,0]=3 29584 B17R2.3212 Cc1cc(cc(c1)NCc2cccnn2)F 2230a_100000742734_100016990269 [0,2,0,0,0,0|1,0,0]=3 29585 B17R2.3212 Cc1cc(cc(c1)NCc2cccnn2)F 34a_100000742734_100016990269 [0,2,0,0,0,0|1,0,0]=3 29586 B17R2.3212 Cc1cc(cc(c1)NCc2cccnn2)F 7a_100000742734_100016990269 [0,2,0,0,0,0|1,0,0]=3 29587 B17R2.3212 Cc1cc(cc(c1)NCc2cccnn2)O 34a_100011995906_100016990269 [0,2,0,0,0,0|1,0,0]=3 29588 B17R2.3212 Cc1cc(cc(c1)NCc2cccnn2)O 7a_100011995906_100016990269 [0,2,0,0,0,0|1,0,0]=3 29589 B17R2.3212 Cc1cc(cc(c1)NCc2ccncc2)Br 207a_100000695972_100000186114 [0,2,0,0,0,0|2,0,0]=4 29590 B17R2.3212 Cc1cc(cc(c1)NCc2ccncc2)Br 7a_100000695972_100015193705 [0,2,0,0,0,0|2,0,0]=4 29591 B17R2.3212 Cc1cc(cc(c1)NCc2ccncc2)C 207a_100000210930_100000186114 [0,2,0,0,0,0|2,0,0]=4 29592 B17R2.3212 Cc1cc(cc(c1)NCc2ccncc2)C 2230a_100000210930_100015193705 [0,2,0,0,0,0|2,0,0]=4 29593 B17R2.3212 Cc1cc(cc(c1)NCc2ccncc2)C 7a_100000210930_100015193705 [0,2,0,0,0,0|2,0,0]=4 29594 B17R2.3212 Cc1cc(cc(c1)NCc2ccncc2)Cl 207a_100012022512_100000186114 [0,2,0,0,0,0|2,0,0]=4 29595 B17R2.3212 Cc1cc(cc(c1)NCc2ccncc2)Cl 2230a_100012022512_100015193705 [0,2,0,0,0,0|2,0,0]=4 29596 B17R2.3212 Cc1cc(cc(c1)NCc2ccncc2)Cl 7a_100012022512_100015193705 [0,2,0,0,0,0|2,0,0]=4 29597 B17R2.3212 Cc1cc(cc(c1)NCc2ccncc2)F 207a_100000742734_100000186114 [0,2,0,0,0,0|2,0,0]=4 29598 B17R2.3212 Cc1cc(cc(c1)NCc2ccncc2)F 2230a_100000742734_100015193705 [0,2,0,0,0,0|2,0,0]=4 29599 B17R2.3212 Cc1cc(cc(c1)NCc2ccncc2)F 7a_100000742734_100015193705 [0,2,0,0,0,0|2,0,0]=4 29600 B17R2.3212 Cc1cc(cc(c1)NCc2ccncc2)O 7a_100011995906_100015193705 [0,2,0,0,0,0|2,0,0]=4 29601 B17R2.3212 Cc1cc(cc(c1)NCc2ccnnc2)Br 270302a_100000695972_100011934578 [0,2,0,0,0,0|1,0,0]=3 29602 B17R2.3212 Cc1cc(cc(c1)NCc2ccnnc2)C 270302a_100000210930_100011934578 [0,2,0,0,0,0|1,0,0]=3 29603 B17R2.3212 Cc1cc(cc(c1)NCc2ccnnc2)Cl 270302a_100012022512_100011934578 [0,2,0,0,0,0|1,0,0]=3 29604 B17R2.3212 Cc1cc(cc(c1)NCc2ccnnc2)F 270302a_100000742734_100011934578 [0,2,0,0,0,0|1,0,0]=3 29605 B17R2.3212 Cc1cc(cc(c1)NCc2ccnnc2)O 270302a_100011995906_100011934578 [0,2,0,0,0,0|1,0,0]=3 29606 B17R2.3212 Cc1cc(cc(c1)NCc2cnccn2)Br 34a_100000695972_100016995436 [0,2,0,0,0,0|1,0,0]=3 29607 B17R2.3212 Cc1cc(cc(c1)NCc2cnccn2)Br 7a_100000695972_100016995436 [0,2,0,0,0,0|1,0,0]=3 29608 B17R2.3212 Cc1cc(cc(c1)NCc2cnccn2)C 2230a_100000210930_100016995436 [0,2,0,0,0,0|1,0,0]=3 29609 B17R2.3212 Cc1cc(cc(c1)NCc2cnccn2)C 34a_100000210930_100016995436 [0,2,0,0,0,0|1,0,0]=3 29610 B17R2.3212 Cc1cc(cc(c1)NCc2cnccn2)C 7a_100000210930_100016995436 [0,2,0,0,0,0|1,0,0]=3 29611 B17R2.3212 Cc1cc(cc(c1)NCc2cnccn2)Cl 2230a_100012022512_100016995436 [0,2,0,0,0,0|1,0,0]=3 29612 B17R2.3212 Cc1cc(cc(c1)NCc2cnccn2)Cl 34a_100012022512_100016995436 [0,2,0,0,0,0|1,0,0]=3 29613 B17R2.3212 Cc1cc(cc(c1)NCc2cnccn2)Cl 7a_100012022512_100016995436 [0,2,0,0,0,0|1,0,0]=3 29614 B17R2.3212 Cc1cc(cc(c1)NCc2cnccn2)F 2230a_100000742734_100016995436 [0,2,0,0,0,0|1,0,0]=3 29615 B17R2.3212 Cc1cc(cc(c1)NCc2cnccn2)F 34a_100000742734_100016995436 [0,2,0,0,0,0|1,0,0]=3 29616 B17R2.3212 Cc1cc(cc(c1)NCc2cnccn2)F 7a_100000742734_100016995436 [0,2,0,0,0,0|1,0,0]=3 29617 B17R2.3212 Cc1cc(cc(c1)NCc2cnccn2)O 34a_100011995906_100016995436 [0,2,0,0,0,0|1,0,0]=3 29618 B17R2.3212 Cc1cc(cc(c1)NCc2cnccn2)O 7a_100011995906_100016995436 [0,2,0,0,0,0|1,0,0]=3 29619 B17R2.3212 Cc1cc(cc(c1)NCc2cncnc2)Br 270302a_100000695972_100000749868 [0,2,0,0,0,0|1,0,0]=3 29620 B17R2.3212 Cc1cc(cc(c1)NCc2cncnc2)Br 34a_100000695972_100015196519 [0,2,0,0,0,0|1,0,0]=3 29621 B17R2.3212 Cc1cc(cc(c1)NCc2cncnc2)Br 7a_100000695972_100015196519 [0,2,0,0,0,0|1,0,0]=3 29622 B17R2.3212 Cc1cc(cc(c1)NCc2cncnc2)C 2230a_100000210930_100015196519 [0,2,0,0,0,0|1,0,0]=3 29623 B17R2.3212 Cc1cc(cc(c1)NCc2cncnc2)C 270302a_100000210930_100000749868 [0,2,0,0,0,0|1,0,0]=3 29624 B17R2.3212 Cc1cc(cc(c1)NCc2cncnc2)C 34a_100000210930_100015196519 [0,2,0,0,0,0|1,0,0]=3 29625 B17R2.3212 Cc1cc(cc(c1)NCc2cncnc2)C 7a_100000210930_100015196519 [0,2,0,0,0,0|1,0,0]=3 29626 B17R2.3212 Cc1cc(cc(c1)NCc2cncnc2)Cl 2230a_100012022512_100015196519 [0,2,0,0,0,0|1,0,0]=3 29627 B17R2.3212 Cc1cc(cc(c1)NCc2cncnc2)Cl 270302a_100012022512_100000749868 [0,2,0,0,0,0|1,0,0]=3 29628 B17R2.3212 Cc1cc(cc(c1)NCc2cncnc2)Cl 34a_100012022512_100015196519 [0,2,0,0,0,0|1,0,0]=3 29629 B17R2.3212 Cc1cc(cc(c1)NCc2cncnc2)Cl 7a_100012022512_100015196519 [0,2,0,0,0,0|1,0,0]=3 29630 B17R2.3212 Cc1cc(cc(c1)NCc2cncnc2)F 2230a_100000742734_100015196519 [0,2,0,0,0,0|1,0,0]=3 29631 B17R2.3212 Cc1cc(cc(c1)NCc2cncnc2)F 270302a_100000742734_100000749868 [0,2,0,0,0,0|1,0,0]=3 29632 B17R2.3212 Cc1cc(cc(c1)NCc2cncnc2)F 34a_100000742734_100015196519 [0,2,0,0,0,0|1,0,0]=3 29633 B17R2.3212 Cc1cc(cc(c1)NCc2cncnc2)F 7a_100000742734_100015196519 [0,2,0,0,0,0|1,0,0]=3 29634 B17R2.3212 Cc1cc(cc(c1)NCc2cncnc2)O 270302a_100011995906_100000749868 [0,2,0,0,0,0|1,0,0]=3 29635 B17R2.3212 Cc1cc(cc(c1)NCc2cncnc2)O 34a_100011995906_100015196519 [0,2,0,0,0,0|1,0,0]=3 29636 B17R2.3212 Cc1cc(cc(c1)NCc2cncnc2)O 7a_100011995906_100015196519 [0,2,0,0,0,0|1,0,0]=3 29637 B17R2.3212 Cc1cc(cc(c1)OCc2ccccc2)Br 34a_100011999630_100015291786 [0,2,0,0,0,0|2,0,0]=4 29638 B17R2.3212 Cc1cc(cc(c1)OCc2ccccc2)Br 7a_100011999630_100000211182 [0,2,0,0,0,0|2,0,0]=4 29639 B17R2.3212 Cc1cc(cc(c1)OCc2ccccc2)C 34a_100000210933_100015291786 [0,2,0,0,0,0|2,0,0]=4 29640 B17R2.3212 Cc1cc(cc(c1)OCc2ccccc2)C 7a_100000210933_100000211182 [0,2,0,0,0,0|2,0,0]=4 29641 B17R2.3212 Cc1cc(cc(c1)OCc2ccccc2)Cl 34a_100000087485_100015291786 [0,2,0,0,0,0|2,0,0]=4 29642 B17R2.3212 Cc1cc(cc(c1)OCc2ccccc2)Cl 7a_100000087485_100000211182 [0,2,0,0,0,0|2,0,0]=4 29643 B17R2.3212 Cc1cc(cc(c1)OCc2ccccc2)F 34a_100011830401_100015291786 [0,2,0,0,0,0|2,0,0]=4 29644 B17R2.3212 Cc1cc(cc(c1)OCc2ccccc2)F 7a_100011830401_100000211182 [0,2,0,0,0,0|2,0,0]=4 29645 B17R2.3212 Cc1cc(cc(c1)OCc2ccccc2)N 34a_100011995906_100015291786 [0,2,0,0,0,0|2,0,0]=4 29646 B17R2.3212 Cc1cc(cc(c1)OCc2ccccc2)N 7a_100011995906_100000211182 [0,2,0,0,0,0|2,0,0]=4 29647 B17R2.3212 Cc1cc(cc(c1)OCc2ccccc2)O 271570a_203496583355_100153408583 [0,2,0,0,0,0|2,0,0]=4 29648 B17R2.3212 Cc1cc(cc(c1)OCc2cccnc2)Br 34a_100011999630_100000733263 [0,2,0,0,0,0|1,0,0]=3 29649 B17R2.3212 Cc1cc(cc(c1)OCc2cccnc2)Br 7a_100011999630_100000741622 [0,2,0,0,0,0|1,0,0]=3 29650 B17R2.3212 Cc1cc(cc(c1)OCc2cccnc2)C 34a_100000210933_100000733263 [0,2,0,0,0,0|1,0,0]=3 29651 B17R2.3212 Cc1cc(cc(c1)OCc2cccnc2)C 7a_100000210933_100000741622 [0,2,0,0,0,0|1,0,0]=3 29652 B17R2.3212 Cc1cc(cc(c1)OCc2cccnc2)Cl 34a_100000087485_100000733263 [0,2,0,0,0,0|1,0,0]=3 29653 B17R2.3212 Cc1cc(cc(c1)OCc2cccnc2)Cl 7a_100000087485_100000741622 [0,2,0,0,0,0|1,0,0]=3 29654 B17R2.3212 Cc1cc(cc(c1)OCc2cccnc2)F 34a_100011830401_100000733263 [0,2,0,0,0,0|1,0,0]=3 29655 B17R2.3212 Cc1cc(cc(c1)OCc2cccnc2)F 7a_100011830401_100000741622 [0,2,0,0,0,0|1,0,0]=3 29656 B17R2.3212 Cc1cc(cc(c1)OCc2cccnc2)N 34a_100011995906_100000733263 [0,2,0,0,0,0|1,0,0]=3 29657 B17R2.3212 Cc1cc(cc(c1)OCc2cccnc2)N 7a_100011995906_100000741622 [0,2,0,0,0,0|1,0,0]=3 29658 B17R2.3212 Cc1cc(cc(c1)OCc2cccnn2)Br 34a_100011999630_100016990269 [0,2,0,0,0,0|2,0,0]=4 29659 B17R2.3212 Cc1cc(cc(c1)OCc2cccnn2)Br 7a_100011999630_100016990269 [0,2,0,0,0,0|2,0,0]=4 29660 B17R2.3212 Cc1cc(cc(c1)OCc2cccnn2)C 34a_100000210933_100016990269 [0,2,0,0,0,0|2,0,0]=4 29661 B17R2.3212 Cc1cc(cc(c1)OCc2cccnn2)C 7a_100000210933_100016990269 [0,2,0,0,0,0|2,0,0]=4 29662 B17R2.3212 Cc1cc(cc(c1)OCc2cccnn2)Cl 34a_100000087485_100016990269 [0,2,0,0,0,0|2,0,0]=4 29663 B17R2.3212 Cc1cc(cc(c1)OCc2cccnn2)Cl 7a_100000087485_100016990269 [0,2,0,0,0,0|2,0,0]=4 29664 B17R2.3212 Cc1cc(cc(c1)OCc2cccnn2)F 34a_100011830401_100016990269 [0,2,0,0,0,0|2,0,0]=4 29665 B17R2.3212 Cc1cc(cc(c1)OCc2cccnn2)F 7a_100011830401_100016990269 [0,2,0,0,0,0|2,0,0]=4 29666 B17R2.3212 Cc1cc(cc(c1)OCc2cccnn2)N 34a_100011995906_100016990269 [0,2,0,0,0,0|2,0,0]=4 29667 B17R2.3212 Cc1cc(cc(c1)OCc2cccnn2)N 7a_100011995906_100016990269 [0,2,0,0,0,0|2,0,0]=4 29668 B17R2.3212 Cc1cc(cc(c1)OCc2cnccn2)Br 34a_100011999630_100016995436 [0,2,0,0,0,0|2,0,0]=4 29669 B17R2.3212 Cc1cc(cc(c1)OCc2cnccn2)Br 7a_100011999630_100016995436 [0,2,0,0,0,0|2,0,0]=4 29670 B17R2.3212 Cc1cc(cc(c1)OCc2cnccn2)C 34a_100000210933_100016995436 [0,2,0,0,0,0|2,0,0]=4 29671 B17R2.3212 Cc1cc(cc(c1)OCc2cnccn2)C 7a_100000210933_100016995436 [0,2,0,0,0,0|2,0,0]=4 29672 B17R2.3212 Cc1cc(cc(c1)OCc2cnccn2)Cl 34a_100000087485_100016995436 [0,2,0,0,0,0|2,0,0]=4 29673 B17R2.3212 Cc1cc(cc(c1)OCc2cnccn2)Cl 7a_100000087485_100016995436 [0,2,0,0,0,0|2,0,0]=4 29674 B17R2.3212 Cc1cc(cc(c1)OCc2cnccn2)F 34a_100011830401_100016995436 [0,2,0,0,0,0|2,0,0]=4 29675 B17R2.3212 Cc1cc(cc(c1)OCc2cnccn2)F 7a_100011830401_100016995436 [0,2,0,0,0,0|2,0,0]=4 29676 B17R2.3212 Cc1cc(cc(c1)OCc2cnccn2)N 34a_100011995906_100016995436 [0,2,0,0,0,0|2,0,0]=4 29677 B17R2.3212 Cc1cc(cc(c1)OCc2cnccn2)N 7a_100011995906_100016995436 [0,2,0,0,0,0|2,0,0]=4 29678 B17R2.3212 Cc1cc(cc(c1)OCc2cncnc2)Br 34a_100011999630_100015196519 [0,2,0,0,0,0|2,0,0]=4 29679 B17R2.3212 Cc1cc(cc(c1)OCc2cncnc2)Br 7a_100011999630_100015196519 [0,2,0,0,0,0|2,0,0]=4 29680 B17R2.3212 Cc1cc(cc(c1)OCc2cncnc2)C 34a_100000210933_100015196519 [0,2,0,0,0,0|2,0,0]=4 29681 B17R2.3212 Cc1cc(cc(c1)OCc2cncnc2)C 7a_100000210933_100015196519 [0,2,0,0,0,0|2,0,0]=4 29682 B17R2.3212 Cc1cc(cc(c1)OCc2cncnc2)Cl 34a_100000087485_100015196519 [0,2,0,0,0,0|2,0,0]=4 29683 B17R2.3212 Cc1cc(cc(c1)OCc2cncnc2)Cl 7a_100000087485_100015196519 [0,2,0,0,0,0|2,0,0]=4 29684 B17R2.3212 Cc1cc(cc(c1)OCc2cncnc2)F 34a_100011830401_100015196519 [0,2,0,0,0,0|2,0,0]=4 29685 B17R2.3212 Cc1cc(cc(c1)OCc2cncnc2)F 7a_100011830401_100015196519 [0,2,0,0,0,0|2,0,0]=4 29686 B17R2.3212 Cc1cc(cc(c1)OCc2cncnc2)N 34a_100011995906_100015196519 [0,2,0,0,0,0|2,0,0]=4 29687 B17R2.3212 Cc1cc(cc(c1)OCc2cncnc2)N 7a_100011995906_100015196519 [0,2,0,0,0,0|2,0,0]=4 29688 B17R2.3212 Cc1cc(cc(c1)SCc2ccccc2)C 62a_100000211182_100011215608 [0,2,0,0,0,0|2,0,0]=4 29689 B17R2.3212 Cc1cc(cc(c1)SCc2ccccc2)C 62a_100011215608_100015291786 [0,2,0,0,0,0|2,0,0]=4 29690 B17R2.3212 Cc1cc(cc(c1)SCc2ccccc2)Cl 62a_100000211182_100010172791 [0,2,0,0,0,0|2,0,0]=4 29691 B17R2.3212 Cc1cc(cc(c1)SCc2ccccc2)Cl 62a_100010172791_100015291786 [0,2,0,0,0,0|2,0,0]=4 29692 B17R2.3212 Cc1cc(cc(c1)SCc2ccccc2)F 62a_100000211182_100011356977 [0,2,0,0,0,0|2,0,0]=4 29693 B17R2.3212 Cc1cc(cc(c1)SCc2ccccc2)F 62a_100011356977_100015291786 [0,2,0,0,0,0|2,0,0]=4 29694 B17R2.3212 Cc1cc(cc(c1)SCc2ccccc2)N 62a_100000211182_100000695972 [0,2,0,0,0,0|2,0,0]=4 29695 B17R2.3212 Cc1cc(cc(c1)SCc2ccccc2)N 62a_100000695972_100015291786 [0,2,0,0,0,0|2,0,0]=4 29696 B17R2.3212 Cc1cc(cc(c1)SCc2ccccc2)O 62a_100000211182_100011999630 [0,2,0,0,0,0|2,0,0]=4 29697 B17R2.3212 Cc1cc(cc(c1)SCc2cccnc2)C 62a_100000741622_100011215608 [0,2,0,0,0,0|1,0,0]=3 29698 B17R2.3212 Cc1cc(cc(c1)SCc2cccnc2)C 62a_100011215608_100000741622 [0,2,0,0,0,0|1,0,0]=3 29699 B17R2.3212 Cc1cc(cc(c1)SCc2cccnc2)Cl 62a_100000741622_100010172791 [0,2,0,0,0,0|1,0,0]=3 29700 B17R2.3212 Cc1cc(cc(c1)SCc2cccnc2)Cl 62a_100010172791_100000741622 [0,2,0,0,0,0|1,0,0]=3 29701 B17R2.3212 Cc1cc(cc(c1)SCc2cccnc2)F 62a_100000741622_100011356977 [0,2,0,0,0,0|1,0,0]=3 29702 B17R2.3212 Cc1cc(cc(c1)SCc2cccnc2)F 62a_100011356977_100000741622 [0,2,0,0,0,0|1,0,0]=3 29703 B17R2.3212 Cc1cc(cc(c1)SCc2cccnc2)N 62a_100000695972_100000741622 [0,2,0,0,0,0|1,0,0]=3 29704 B17R2.3212 Cc1cc(cc(c1)SCc2cccnc2)N 62a_100000741622_100000695972 [0,2,0,0,0,0|1,0,0]=3 29705 B17R2.3212 Cc1cc(cc(c1)SCc2cccnc2)O 62a_100000741622_100011999630 [0,2,0,0,0,0|1,0,0]=3 29706 B17R2.3212 Cc1cc(cc(c1)SCc2cccnn2)C 62a_100011215608_100016990269 [0,2,0,0,0,0|2,0,0]=4 29707 B17R2.3212 Cc1cc(cc(c1)SCc2cccnn2)C 62a_100016990269_100011215608 [0,2,0,0,0,0|2,0,0]=4 29708 B17R2.3212 Cc1cc(cc(c1)SCc2cccnn2)Cl 62a_100010172791_100016990269 [0,2,0,0,0,0|2,0,0]=4 29709 B17R2.3212 Cc1cc(cc(c1)SCc2cccnn2)Cl 62a_100016990269_100010172791 [0,2,0,0,0,0|2,0,0]=4 29710 B17R2.3212 Cc1cc(cc(c1)SCc2cccnn2)F 62a_100011356977_100016990269 [0,2,0,0,0,0|2,0,0]=4 29711 B17R2.3212 Cc1cc(cc(c1)SCc2cccnn2)F 62a_100016990269_100011356977 [0,2,0,0,0,0|2,0,0]=4 29712 B17R2.3212 Cc1cc(cc(c1)SCc2cccnn2)N 62a_100000695972_100016990269 [0,2,0,0,0,0|2,0,0]=4 29713 B17R2.3212 Cc1cc(cc(c1)SCc2cccnn2)N 62a_100016990269_100000695972 [0,2,0,0,0,0|2,0,0]=4 29714 B17R2.3212 Cc1cc(cc(c1)SCc2cccnn2)O 62a_100016990269_100011999630 [0,2,0,0,0,0|2,0,0]=4 29715 B17R2.3212 Cc1cc(cc(c1)SCc2cnccn2)C 62a_100011215608_100016995436 [0,2,0,0,0,0|2,0,0]=4 29716 B17R2.3212 Cc1cc(cc(c1)SCc2cnccn2)C 62a_100016995436_100011215608 [0,2,0,0,0,0|2,0,0]=4 29717 B17R2.3212 Cc1cc(cc(c1)SCc2cnccn2)Cl 62a_100010172791_100016995436 [0,2,0,0,0,0|2,0,0]=4 29718 B17R2.3212 Cc1cc(cc(c1)SCc2cnccn2)Cl 62a_100016995436_100010172791 [0,2,0,0,0,0|2,0,0]=4 29719 B17R2.3212 Cc1cc(cc(c1)SCc2cnccn2)F 62a_100011356977_100016995436 [0,2,0,0,0,0|2,0,0]=4 29720 B17R2.3212 Cc1cc(cc(c1)SCc2cnccn2)F 62a_100016995436_100011356977 [0,2,0,0,0,0|2,0,0]=4 29721 B17R2.3212 Cc1cc(cc(c1)SCc2cnccn2)N 62a_100000695972_100016995436 [0,2,0,0,0,0|2,0,0]=4 29722 B17R2.3212 Cc1cc(cc(c1)SCc2cnccn2)N 62a_100016995436_100000695972 [0,2,0,0,0,0|2,0,0]=4 29723 B17R2.3212 Cc1cc(cc(c1)SCc2cnccn2)O 62a_100016995436_100011999630 [0,2,0,0,0,0|2,0,0]=4 29724 B17R2.3212 Cc1cc(cc(c1)SCc2cncnc2)C 62a_100011215608_100015196519 [0,2,0,0,0,0|2,0,0]=4 29725 B17R2.3212 Cc1cc(cc(c1)SCc2cncnc2)C 62a_100015196519_100011215608 [0,2,0,0,0,0|2,0,0]=4 29726 B17R2.3212 Cc1cc(cc(c1)SCc2cncnc2)Cl 62a_100010172791_100015196519 [0,2,0,0,0,0|2,0,0]=4 29727 B17R2.3212 Cc1cc(cc(c1)SCc2cncnc2)Cl 62a_100015196519_100010172791 [0,2,0,0,0,0|2,0,0]=4 29728 B17R2.3212 Cc1cc(cc(c1)SCc2cncnc2)F 62a_100011356977_100015196519 [0,2,0,0,0,0|2,0,0]=4 29729 B17R2.3212 Cc1cc(cc(c1)SCc2cncnc2)F 62a_100015196519_100011356977 [0,2,0,0,0,0|2,0,0]=4 29730 B17R2.3212 Cc1cc(cc(c1)SCc2cncnc2)N 62a_100000695972_100015196519 [0,2,0,0,0,0|2,0,0]=4 29731 B17R2.3212 Cc1cc(cc(c1)SCc2cncnc2)N 62a_100015196519_100000695972 [0,2,0,0,0,0|2,0,0]=4 29732 B17R2.3212 Cc1cc(cc(c1)SCc2cncnc2)O 62a_100015196519_100011999630 [0,2,0,0,0,0|2,0,0]=4 29733 B17R2.3212 Cc1cc(cc(n1)C)CNc2ccccc2 207a_100000106764_100011997668 [0,2,0,0,0,0|2,0,0]=4 29734 B17R2.3212 Cc1cc(cc(n1)C)CNc2ccccc2 270302a_100000106764_100011997668 [0,2,0,0,0,0|2,0,0]=4 29735 B17R2.3212 Cc1cc(cc(n1)C)CNc2ccccc2 34a_100000106764_200000139866 [0,2,0,0,0,0|2,0,0]=4 29736 B17R2.3212 Cc1cc(cc(n1)C)NCc2ccccc2 27a_100015324214_100000066820 [0,2,0,0,0,0|2,0,0]=4 29737 B17R2.3212 Cc1cc(cc(n1)C)NCc2cccnc2 27a_100000210453_100000066820 [0,2,0,0,0,0|1,0,0]=3 29738 B17R2.3212 Cc1cc(cc(n1)C)NCc2cccnn2 27a_100159270163_100000066820 [0,2,0,0,0,0|2,0,0]=4 29739 B17R2.3212 Cc1cc(cc(n1)C)NCc2cnccn2 27a_100000737960_100000066820 [0,2,0,0,0,0|2,0,0]=4 29740 B17R2.3212 Cc1cc(cc(n1)C)NCc2cncnc2 27a_100011243677_100000066820 [0,2,0,0,0,0|2,0,0]=4 29741 B17R2.3212 Cc1cc(cc(n1)C)SCc2cccnc2 62a_100000066820_100000741622 [0,2,0,0,0,0|2,0,0]=4 29742 B17R2.3212 Cc1cc(cc(n1)C)SCc2cccnc2 62a_100000741622_100000066820 [0,2,0,0,0,0|2,0,0]=4 29743 B17R2.3212 Cc1cc(cc(n1)Cl)NCc2ccccc2 27a_100015324214_100010068023 [0,2,0,0,0,0|2,0,0]=4 29744 B17R2.3212 Cc1cc(cc(n1)Cl)NCc2cccnc2 27a_100000210453_100010068023 [0,2,0,0,0,0|1,0,0]=3 29745 B17R2.3212 Cc1cc(cc(n1)Cl)NCc2cccnn2 27a_100159270163_100010068023 [0,2,0,0,0,0|2,0,0]=4 29746 B17R2.3212 Cc1cc(cc(n1)Cl)NCc2cnccn2 27a_100000737960_100010068023 [0,2,0,0,0,0|2,0,0]=4 29747 B17R2.3212 Cc1cc(cc(n1)Cl)NCc2cncnc2 27a_100011243677_100010068023 [0,2,0,0,0,0|2,0,0]=4 29748 B17R2.3212 Cc1cc(cc(n1)Cl)SCc2cccnc2 62a_100000741622_100010068023 [0,2,0,0,0,0|2,0,0]=4 29749 B17R2.3212 Cc1cc(cc(n1)Cl)SCc2cccnc2 62a_100010068023_100000741622 [0,2,0,0,0,0|2,0,0]=4 29750 B17R2.3212 Cc1cc(cc(n1)F)NCc2ccccc2 27a_100015324214_100010006595 [0,2,0,0,0,0|2,0,0]=4 29751 B17R2.3212 Cc1cc(cc(n1)F)NCc2cccnc2 27a_100000210453_100010006595 [0,2,0,0,0,0|1,0,0]=3 29752 B17R2.3212 Cc1cc(cc(n1)F)NCc2cccnn2 27a_100159270163_100010006595 [0,2,0,0,0,0|2,0,0]=4 29753 B17R2.3212 Cc1cc(cc(n1)F)NCc2cnccn2 27a_100000737960_100010006595 [0,2,0,0,0,0|2,0,0]=4 29754 B17R2.3212 Cc1cc(cc(n1)F)NCc2cncnc2 27a_100011243677_100010006595 [0,2,0,0,0,0|2,0,0]=4 29755 B17R2.3212 Cc1cc(cc(n1)F)SCc2cccnc2 62a_100000741622_100010006595 [0,2,0,0,0,0|2,0,0]=4 29756 B17R2.3212 Cc1cc(cc(n1)F)SCc2cccnc2 62a_100010006595_100000741622 [0,2,0,0,0,0|2,0,0]=4 29757 B17R2.3212 Cc1cc(cc(n1)N)SCc2cccnc2 62a_100000076705_100000741622 [0,2,0,0,0,0|2,0,0]=4 29758 B17R2.3212 Cc1cc(cc(n1)N)SCc2cccnc2 62a_100000741622_100000076705 [0,2,0,0,0,0|2,0,0]=4 29759 B17R2.3212 Cc1cc(cc(n1)SCc2cccnc2)N 62a_100000071261_100000741622 [0,2,0,0,0,0|2,0,0]=4 29760 B17R2.3212 Cc1cc(cc(n1)SCc2cccnc2)N 62a_100000741622_100000071261 [0,2,0,0,0,0|2,0,0]=4 29761 B17R2.3212 Cc1cc(nc(c1)CNc2ccccc2)C 34a_100000106764_100012357514 [0,2,0,0,0,0|2,0,0]=4 29762 B17R2.3212 Cc1cc(nc(c1)NCc2ccccc2)C 27a_100015324214_100000069240 [0,2,0,0,0,0|2,0,0]=4 29763 B17R2.3212 Cc1cc(nc(c1)NCc2ccccc2)F 27a_100015324214_100009819601 [0,2,0,0,0,0|2,0,0]=4 29764 B17R2.3212 Cc1cc(nc(c1)NCc2cccnc2)C 27a_100000210453_100000069240 [0,2,0,0,0,0|1,0,0]=3 29765 B17R2.3212 Cc1cc(nc(c1)NCc2cccnc2)F 27a_100000210453_100009819601 [0,2,0,0,0,0|1,0,0]=3 29766 B17R2.3212 Cc1cc(nc(c1)NCc2cccnn2)C 27a_100159270163_100000069240 [0,2,0,0,0,0|2,0,0]=4 29767 B17R2.3212 Cc1cc(nc(c1)NCc2cccnn2)F 27a_100159270163_100009819601 [0,2,0,0,0,0|2,0,0]=4 29768 B17R2.3212 Cc1cc(nc(c1)NCc2cnccn2)C 27a_100000737960_100000069240 [0,2,0,0,0,0|2,0,0]=4 29769 B17R2.3212 Cc1cc(nc(c1)NCc2cnccn2)F 27a_100000737960_100009819601 [0,2,0,0,0,0|2,0,0]=4 29770 B17R2.3212 Cc1cc(nc(c1)NCc2cncnc2)C 27a_100011243677_100000069240 [0,2,0,0,0,0|2,0,0]=4 29771 B17R2.3212 Cc1cc(nc(c1)NCc2cncnc2)F 27a_100011243677_100009819601 [0,2,0,0,0,0|2,0,0]=4 29772 B17R2.3212 Cc1cc(nc(c1)SCc2cccnc2)C 62a_100000069240_100000741622 [0,2,0,0,0,0|2,0,0]=4 29773 B17R2.3212 Cc1cc(nc(c1)SCc2cccnc2)C 62a_100000741622_100000069240 [0,2,0,0,0,0|2,0,0]=4 29774 B17R2.3212 Cc1cc(nc(c1)SCc2cccnc2)F 62a_100000741622_100009819601 [0,2,0,0,0,0|2,0,0]=4 29775 B17R2.3212 Cc1cc(nc(c1)SCc2cccnc2)F 62a_100009819601_100000741622 [0,2,0,0,0,0|2,0,0]=4 29776 B17R2.3212 Cc1cc(nc(c1)SCc2cccnc2)N 62a_100000741622_100009819863 [0,2,0,0,0,0|2,0,0]=4 29777 B17R2.3212 Cc1cc(nc(c1)SCc2cccnc2)N 62a_100009819863_100000741622 [0,2,0,0,0,0|2,0,0]=4 29778 B17R2.3212 Cc1cc(nc(n1)C)NCc2cccnc2 27a_100000210453_100000736142 [0,2,0,0,0,0|2,0,0]=4 29779 B17R2.3212 Cc1cc(nc(n1)N)NCc2cccnc2 27a_100000210453_100000183061 [0,2,0,0,0,0|2,0,0]=4 29780 B17R2.3212 Cc1cc(nc(n1)NCc2cccnc2)C 27a_100000210453_100000736147 [0,2,0,0,0,0|2,0,0]=4 29781 B17R2.3212 Cc1cc(nc(n1)NCc2cccnc2)N 27a_100000210453_100000687285 [0,2,0,0,0,0|2,0,0]=4 29782 B17R2.3212 Cc1nc(cc(n1)NCc2cccnc2)N 27a_100000210453_100000761517 [0,2,0,0,0,0|2,0,0]=4 29783 B17R2.3212 Cc1nc(cc(n1)NCc2cccnc2)O 27a_100000210453_106741647437 [0,2,0,0,0,0|2,0,0]=4 29784 B17R2.3212 Clc1cc(cc(c1)C=Cc2cccnc2)Br 271570a_100102525586_100009814755 [0,2,0,0,0,0|1,0,1]=4 29785 B17R2.3212 Clc1cc(cc(c1)C=Cc2cccnc2)Cl 271570a_100102525586_100000747138 [0,2,0,0,0,0|1,0,1]=4 29786 B17R2.3212 Clc1cc(cc(c1)CNc2ccccc2)Br 207a_100000106764_100011934515 [0,2,0,0,0,0|1,0,0]=3 29787 B17R2.3212 Clc1cc(cc(c1)CNc2ccccc2)Br 270302a_100000106764_100011934515 [0,2,0,0,0,0|1,0,0]=3 29788 B17R2.3212 Clc1cc(cc(c1)CNc2ccccc2)Cl 207a_100000106764_100000741761 [0,2,0,0,0,0|1,0,0]=3 29789 B17R2.3212 Clc1cc(cc(c1)CNc2ccccc2)Cl 270302a_100000106764_100000741761 [0,2,0,0,0,0|1,0,0]=3 29790 B17R2.3212 Clc1cc(cc(c1)COc2ccccc2)Cl 7a_100000210340_100011219208 [0,2,0,0,0,0|2,0,0]=4 29791 B17R2.3212 Clc1cc(cc(c1)COc2cccnc2)Cl 7a_100000210849_100011219208 [0,2,0,0,0,0|2,0,0]=4 29792 B17R2.3212 Clc1cc(cc(c1)CSc2ccccc2)Cl 62a_100000719477_100011219208 [0,2,0,0,0,0|2,0,0]=4 29793 B17R2.3212 Clc1cc(cc(c1)CSc2ccccc2)Cl 62a_100011219208_100000041952 [0,2,0,0,0,0|2,0,0]=4 29794 B17R2.3212 Clc1cc(cc(c1)CSc2cccnc2)Cl 62a_100000210063_100011219208 [0,2,0,0,0,0|2,0,0]=4 29795 B17R2.3212 Clc1cc(cc(c1)CSc2cccnc2)Cl 62a_100011219208_100000210063 [0,2,0,0,0,0|2,0,0]=4 29796 B17R2.3212 Clc1cc(cc(c1)NCc2ccccc2)Br 207a_100011934539_100015611070 [0,2,0,0,0,0|1,0,0]=3 29797 B17R2.3212 Clc1cc(cc(c1)NCc2ccccc2)Br 270302a_100011934539_100015611070 [0,2,0,0,0,0|1,0,0]=3 29798 B17R2.3212 Clc1cc(cc(c1)NCc2ccccc2)Br 34a_100011934539_100015291786 [0,2,0,0,0,0|1,0,0]=3 29799 B17R2.3212 Clc1cc(cc(c1)NCc2ccccc2)Br 7a_100011934539_100000211182 [0,2,0,0,0,0|1,0,0]=3 29800 B17R2.3212 Clc1cc(cc(c1)NCc2ccccc2)Cl 207a_100000210456_100015611070 [0,2,0,0,0,0|1,0,0]=3 29801 B17R2.3212 Clc1cc(cc(c1)NCc2ccccc2)Cl 270302a_100000210456_100015611070 [0,2,0,0,0,0|1,0,0]=3 29802 B17R2.3212 Clc1cc(cc(c1)NCc2ccccc2)Cl 34a_100000210456_100015291786 [0,2,0,0,0,0|1,0,0]=3 29803 B17R2.3212 Clc1cc(cc(c1)NCc2ccccc2)Cl 7a_100000210456_100000211182 [0,2,0,0,0,0|1,0,0]=3 29804 B17R2.3212 Clc1cc(cc(c1)NCc2ccccc2)I 207a_100010147676_100015611070 [0,2,0,0,0,0|1,0,0]=3 29805 B17R2.3212 Clc1cc(cc(c1)NCc2ccccc2)I 270302a_100010147676_100015611070 [0,2,0,0,0,0|1,0,0]=3 29806 B17R2.3212 Clc1cc(cc(c1)NCc2ccccc2)I 7a_100010147676_100000211182 [0,2,0,0,0,0|1,0,0]=3 29807 B17R2.3212 Clc1cc(cc(c1)NCc2ccccn2)Br 207a_100011934539_100000209966 [0,2,0,0,0,0|2,0,0]=4 29808 B17R2.3212 Clc1cc(cc(c1)NCc2ccccn2)Br 270302a_100011934539_100000209966 [0,2,0,0,0,0|2,0,0]=4 29809 B17R2.3212 Clc1cc(cc(c1)NCc2ccccn2)Br 34a_100011934539_100000721315 [0,2,0,0,0,0|2,0,0]=4 29810 B17R2.3212 Clc1cc(cc(c1)NCc2ccccn2)Br 7a_100011934539_100000721315 [0,2,0,0,0,0|2,0,0]=4 29811 B17R2.3212 Clc1cc(cc(c1)NCc2ccccn2)Cl 207a_100000210456_100000209966 [0,2,0,0,0,0|2,0,0]=4 29812 B17R2.3212 Clc1cc(cc(c1)NCc2ccccn2)Cl 270302a_100000210456_100000209966 [0,2,0,0,0,0|2,0,0]=4 29813 B17R2.3212 Clc1cc(cc(c1)NCc2ccccn2)Cl 34a_100000210456_100000721315 [0,2,0,0,0,0|2,0,0]=4 29814 B17R2.3212 Clc1cc(cc(c1)NCc2ccccn2)Cl 7a_100000210456_100000721315 [0,2,0,0,0,0|2,0,0]=4 29815 B17R2.3212 Clc1cc(cc(c1)NCc2ccccn2)I 207a_100010147676_100000209966 [0,2,0,0,0,0|2,0,0]=4 29816 B17R2.3212 Clc1cc(cc(c1)NCc2ccccn2)I 270302a_100010147676_100000209966 [0,2,0,0,0,0|2,0,0]=4 29817 B17R2.3212 Clc1cc(cc(c1)NCc2ccccn2)I 7a_100010147676_100000721315 [0,2,0,0,0,0|2,0,0]=4 29818 B17R2.3212 Clc1cc(cc(c1)NCc2cccnc2)Br 207a_100011934539_100000209961 [0,2,0,0,0,0|0,0,0]=2 29819 B17R2.3212 Clc1cc(cc(c1)NCc2cccnc2)Br 270302a_100011934539_100000209961 [0,2,0,0,0,0|0,0,0]=2 29820 B17R2.3212 Clc1cc(cc(c1)NCc2cccnc2)Br 34a_100011934539_100000733263 [0,2,0,0,0,0|0,0,0]=2 29821 B17R2.3212 Clc1cc(cc(c1)NCc2cccnc2)Br 7a_100011934539_100000741622 [0,2,0,0,0,0|0,0,0]=2 29822 B17R2.3212 Clc1cc(cc(c1)NCc2cccnc2)Cl 207a_100000210456_100000209961 [0,2,0,0,0,0|0,0,0]=2 29823 B17R2.3212 Clc1cc(cc(c1)NCc2cccnc2)Cl 270302a_100000210456_100000209961 [0,2,0,0,0,0|0,0,0]=2 29824 B17R2.3212 Clc1cc(cc(c1)NCc2cccnc2)Cl 34a_100000210456_100000733263 [0,2,0,0,0,0|0,0,0]=2 29825 B17R2.3212 Clc1cc(cc(c1)NCc2cccnc2)Cl 7a_100000210456_100000741622 [0,2,0,0,0,0|0,0,0]=2 29826 B17R2.3212 Clc1cc(cc(c1)NCc2cccnc2)I 207a_100010147676_100000209961 [0,2,0,0,0,0|0,0,0]=2 29827 B17R2.3212 Clc1cc(cc(c1)NCc2cccnc2)I 270302a_100010147676_100000209961 [0,2,0,0,0,0|0,0,0]=2 29828 B17R2.3212 Clc1cc(cc(c1)NCc2cccnc2)I 7a_100010147676_100000741622 [0,2,0,0,0,0|0,0,0]=2 29829 B17R2.3212 Clc1cc(cc(c1)NCc2cccnn2)Br 34a_100011934539_100016990269 [0,2,0,0,0,0|1,0,0]=3 29830 B17R2.3212 Clc1cc(cc(c1)NCc2cccnn2)Br 7a_100011934539_100016990269 [0,2,0,0,0,0|1,0,0]=3 29831 B17R2.3212 Clc1cc(cc(c1)NCc2cccnn2)Cl 34a_100000210456_100016990269 [0,2,0,0,0,0|1,0,0]=3 29832 B17R2.3212 Clc1cc(cc(c1)NCc2cccnn2)Cl 7a_100000210456_100016990269 [0,2,0,0,0,0|1,0,0]=3 29833 B17R2.3212 Clc1cc(cc(c1)NCc2cccnn2)I 7a_100010147676_100016990269 [0,2,0,0,0,0|1,0,0]=3 29834 B17R2.3212 Clc1cc(cc(c1)NCc2ccncc2)Br 207a_100011934539_100000186114 [0,2,0,0,0,0|2,0,0]=4 29835 B17R2.3212 Clc1cc(cc(c1)NCc2ccncc2)Br 7a_100011934539_100015193705 [0,2,0,0,0,0|2,0,0]=4 29836 B17R2.3212 Clc1cc(cc(c1)NCc2ccncc2)Cl 207a_100000210456_100000186114 [0,2,0,0,0,0|2,0,0]=4 29837 B17R2.3212 Clc1cc(cc(c1)NCc2ccncc2)Cl 7a_100000210456_100015193705 [0,2,0,0,0,0|2,0,0]=4 29838 B17R2.3212 Clc1cc(cc(c1)NCc2ccncc2)I 207a_100010147676_100000186114 [0,2,0,0,0,0|2,0,0]=4 29839 B17R2.3212 Clc1cc(cc(c1)NCc2ccncc2)I 7a_100010147676_100015193705 [0,2,0,0,0,0|2,0,0]=4 29840 B17R2.3212 Clc1cc(cc(c1)NCc2ccnnc2)Br 270302a_100011934539_100011934578 [0,2,0,0,0,0|1,0,0]=3 29841 B17R2.3212 Clc1cc(cc(c1)NCc2ccnnc2)Cl 270302a_100000210456_100011934578 [0,2,0,0,0,0|1,0,0]=3 29842 B17R2.3212 Clc1cc(cc(c1)NCc2ccnnc2)I 270302a_100010147676_100011934578 [0,2,0,0,0,0|1,0,0]=3 29843 B17R2.3212 Clc1cc(cc(c1)NCc2cnccn2)Br 34a_100011934539_100016995436 [0,2,0,0,0,0|1,0,0]=3 29844 B17R2.3212 Clc1cc(cc(c1)NCc2cnccn2)Br 7a_100011934539_100016995436 [0,2,0,0,0,0|1,0,0]=3 29845 B17R2.3212 Clc1cc(cc(c1)NCc2cnccn2)Cl 34a_100000210456_100016995436 [0,2,0,0,0,0|1,0,0]=3 29846 B17R2.3212 Clc1cc(cc(c1)NCc2cnccn2)Cl 7a_100000210456_100016995436 [0,2,0,0,0,0|1,0,0]=3 29847 B17R2.3212 Clc1cc(cc(c1)NCc2cnccn2)I 7a_100010147676_100016995436 [0,2,0,0,0,0|1,0,0]=3 29848 B17R2.3212 Clc1cc(cc(c1)NCc2cncnc2)Br 270302a_100011934539_100000749868 [0,2,0,0,0,0|1,0,0]=3 29849 B17R2.3212 Clc1cc(cc(c1)NCc2cncnc2)Br 34a_100011934539_100015196519 [0,2,0,0,0,0|1,0,0]=3 29850 B17R2.3212 Clc1cc(cc(c1)NCc2cncnc2)Br 7a_100011934539_100015196519 [0,2,0,0,0,0|1,0,0]=3 29851 B17R2.3212 Clc1cc(cc(c1)NCc2cncnc2)Cl 270302a_100000210456_100000749868 [0,2,0,0,0,0|1,0,0]=3 29852 B17R2.3212 Clc1cc(cc(c1)NCc2cncnc2)Cl 34a_100000210456_100015196519 [0,2,0,0,0,0|1,0,0]=3 29853 B17R2.3212 Clc1cc(cc(c1)NCc2cncnc2)Cl 7a_100000210456_100015196519 [0,2,0,0,0,0|1,0,0]=3 29854 B17R2.3212 Clc1cc(cc(c1)NCc2cncnc2)I 270302a_100010147676_100000749868 [0,2,0,0,0,0|1,0,0]=3 29855 B17R2.3212 Clc1cc(cc(c1)NCc2cncnc2)I 7a_100010147676_100015196519 [0,2,0,0,0,0|1,0,0]=3 29856 B17R2.3212 Clc1cc(cc(c1)OCc2ccccc2)Br 34a_100010185897_100015291786 [0,2,0,0,0,0|2,0,0]=4 29857 B17R2.3212 Clc1cc(cc(c1)OCc2ccccc2)Br 7a_100010185897_100000211182 [0,2,0,0,0,0|2,0,0]=4 29858 B17R2.3212 Clc1cc(cc(c1)OCc2ccccc2)Cl 34a_100000181315_100015291786 [0,2,0,0,0,0|2,0,0]=4 29859 B17R2.3212 Clc1cc(cc(c1)OCc2ccccc2)Cl 7a_100000181315_100000211182 [0,2,0,0,0,0|2,0,0]=4 29860 B17R2.3212 Clc1cc(cc(c1)OCc2ccccc2)I 34a_100010068924_100015291786 [0,2,0,0,0,0|2,0,0]=4 29861 B17R2.3212 Clc1cc(cc(c1)OCc2ccccc2)I 7a_100010068924_100000211182 [0,2,0,0,0,0|2,0,0]=4 29862 B17R2.3212 Clc1cc(cc(c1)OCc2cccnc2)Br 34a_100010185897_100000733263 [0,2,0,0,0,0|1,0,0]=3 29863 B17R2.3212 Clc1cc(cc(c1)OCc2cccnc2)Br 7a_100010185897_100000741622 [0,2,0,0,0,0|1,0,0]=3 29864 B17R2.3212 Clc1cc(cc(c1)OCc2cccnc2)Cl 34a_100000181315_100000733263 [0,2,0,0,0,0|1,0,0]=3 29865 B17R2.3212 Clc1cc(cc(c1)OCc2cccnc2)Cl 7a_100000181315_100000741622 [0,2,0,0,0,0|1,0,0]=3 29866 B17R2.3212 Clc1cc(cc(c1)OCc2cccnc2)I 34a_100010068924_100000733263 [0,2,0,0,0,0|1,0,0]=3 29867 B17R2.3212 Clc1cc(cc(c1)OCc2cccnc2)I 7a_100010068924_100000741622 [0,2,0,0,0,0|1,0,0]=3 29868 B17R2.3212 Clc1cc(cc(c1)OCc2cccnn2)Br 34a_100010185897_100016990269 [0,2,0,0,0,0|2,0,0]=4 29869 B17R2.3212 Clc1cc(cc(c1)OCc2cccnn2)Br 7a_100010185897_100016990269 [0,2,0,0,0,0|2,0,0]=4 29870 B17R2.3212 Clc1cc(cc(c1)OCc2cccnn2)Cl 34a_100000181315_100016990269 [0,2,0,0,0,0|2,0,0]=4 29871 B17R2.3212 Clc1cc(cc(c1)OCc2cccnn2)Cl 7a_100000181315_100016990269 [0,2,0,0,0,0|2,0,0]=4 29872 B17R2.3212 Clc1cc(cc(c1)OCc2cccnn2)I 34a_100010068924_100016990269 [0,2,0,0,0,0|2,0,0]=4 29873 B17R2.3212 Clc1cc(cc(c1)OCc2cccnn2)I 7a_100010068924_100016990269 [0,2,0,0,0,0|2,0,0]=4 29874 B17R2.3212 Clc1cc(cc(c1)OCc2cnccn2)Br 34a_100010185897_100016995436 [0,2,0,0,0,0|2,0,0]=4 29875 B17R2.3212 Clc1cc(cc(c1)OCc2cnccn2)Br 7a_100010185897_100016995436 [0,2,0,0,0,0|2,0,0]=4 29876 B17R2.3212 Clc1cc(cc(c1)OCc2cnccn2)Cl 34a_100000181315_100016995436 [0,2,0,0,0,0|2,0,0]=4 29877 B17R2.3212 Clc1cc(cc(c1)OCc2cnccn2)Cl 7a_100000181315_100016995436 [0,2,0,0,0,0|2,0,0]=4 29878 B17R2.3212 Clc1cc(cc(c1)OCc2cnccn2)I 34a_100010068924_100016995436 [0,2,0,0,0,0|2,0,0]=4 29879 B17R2.3212 Clc1cc(cc(c1)OCc2cnccn2)I 7a_100010068924_100016995436 [0,2,0,0,0,0|2,0,0]=4 29880 B17R2.3212 Clc1cc(cc(c1)OCc2cncnc2)Br 34a_100010185897_100015196519 [0,2,0,0,0,0|2,0,0]=4 29881 B17R2.3212 Clc1cc(cc(c1)OCc2cncnc2)Br 7a_100010185897_100015196519 [0,2,0,0,0,0|2,0,0]=4 29882 B17R2.3212 Clc1cc(cc(c1)OCc2cncnc2)Cl 34a_100000181315_100015196519 [0,2,0,0,0,0|2,0,0]=4 29883 B17R2.3212 Clc1cc(cc(c1)OCc2cncnc2)Cl 7a_100000181315_100015196519 [0,2,0,0,0,0|2,0,0]=4 29884 B17R2.3212 Clc1cc(cc(c1)OCc2cncnc2)I 34a_100010068924_100015196519 [0,2,0,0,0,0|2,0,0]=4 29885 B17R2.3212 Clc1cc(cc(c1)OCc2cncnc2)I 7a_100010068924_100015196519 [0,2,0,0,0,0|2,0,0]=4 29886 B17R2.3212 Clc1cc(cc(c1)SCc2ccccc2)Br 62a_100000211182_100009814755 [0,2,0,0,0,0|2,0,0]=4 29887 B17R2.3212 Clc1cc(cc(c1)SCc2ccccc2)Br 62a_100009814755_100015291786 [0,2,0,0,0,0|2,0,0]=4 29888 B17R2.3212 Clc1cc(cc(c1)SCc2ccccc2)Cl 62a_100000211182_100000747138 [0,2,0,0,0,0|2,0,0]=4 29889 B17R2.3212 Clc1cc(cc(c1)SCc2ccccc2)Cl 62a_100000747138_100015291786 [0,2,0,0,0,0|2,0,0]=4 29890 B17R2.3212 Clc1cc(cc(c1)SCc2cccnc2)Br 62a_100000741622_100009814755 [0,2,0,0,0,0|1,0,0]=3 29891 B17R2.3212 Clc1cc(cc(c1)SCc2cccnc2)Br 62a_100009814755_100000741622 [0,2,0,0,0,0|1,0,0]=3 29892 B17R2.3212 Clc1cc(cc(c1)SCc2cccnc2)Cl 62a_100000741622_100000747138 [0,2,0,0,0,0|1,0,0]=3 29893 B17R2.3212 Clc1cc(cc(c1)SCc2cccnc2)Cl 62a_100000747138_100000741622 [0,2,0,0,0,0|1,0,0]=3 29894 B17R2.3212 Clc1cc(cc(c1)SCc2cccnn2)Br 62a_100009814755_100016990269 [0,2,0,0,0,0|2,0,0]=4 29895 B17R2.3212 Clc1cc(cc(c1)SCc2cccnn2)Br 62a_100016990269_100009814755 [0,2,0,0,0,0|2,0,0]=4 29896 B17R2.3212 Clc1cc(cc(c1)SCc2cccnn2)Cl 62a_100000747138_100016990269 [0,2,0,0,0,0|2,0,0]=4 29897 B17R2.3212 Clc1cc(cc(c1)SCc2cccnn2)Cl 62a_100016990269_100000747138 [0,2,0,0,0,0|2,0,0]=4 29898 B17R2.3212 Clc1cc(cc(c1)SCc2cnccn2)Br 62a_100009814755_100016995436 [0,2,0,0,0,0|2,0,0]=4 29899 B17R2.3212 Clc1cc(cc(c1)SCc2cnccn2)Br 62a_100016995436_100009814755 [0,2,0,0,0,0|2,0,0]=4 29900 B17R2.3212 Clc1cc(cc(c1)SCc2cnccn2)Cl 62a_100000747138_100016995436 [0,2,0,0,0,0|2,0,0]=4 29901 B17R2.3212 Clc1cc(cc(c1)SCc2cnccn2)Cl 62a_100016995436_100000747138 [0,2,0,0,0,0|2,0,0]=4 29902 B17R2.3212 Clc1cc(cc(c1)SCc2cncnc2)Br 62a_100009814755_100015196519 [0,2,0,0,0,0|2,0,0]=4 29903 B17R2.3212 Clc1cc(cc(c1)SCc2cncnc2)Br 62a_100015196519_100009814755 [0,2,0,0,0,0|2,0,0]=4 29904 B17R2.3212 Clc1cc(cc(c1)SCc2cncnc2)Cl 62a_100000747138_100015196519 [0,2,0,0,0,0|2,0,0]=4 29905 B17R2.3212 Clc1cc(cc(c1)SCc2cncnc2)Cl 62a_100015196519_100000747138 [0,2,0,0,0,0|2,0,0]=4 29906 B17R2.3212 Clc1cc(cc(n1)Cl)SCc2cccnc2 62a_100000062418_100000741622 [0,2,0,0,0,0|2,0,0]=4 29907 B17R2.3212 Clc1cc(cc(n1)Cl)SCc2cccnc2 62a_100000741622_100000062418 [0,2,0,0,0,0|2,0,0]=4 29908 B17R2.3212 Fc1cc(cc(c1)C=Cc2cccnc2)Br 271570a_100102525586_100009814764 [0,2,0,0,0,0|1,0,1]=4 29909 B17R2.3212 Fc1cc(cc(c1)C=Cc2cccnc2)Cl 271570a_100102525586_100013859453 [0,2,0,0,0,0|1,0,1]=4 29910 B17R2.3212 Fc1cc(cc(c1)C=Cc2cccnc2)F 271570a_100102525586_100011218498 [0,2,0,0,0,0|1,0,1]=4 29911 B17R2.3212 Fc1cc(cc(c1)C=Cc2cccnc2)F 271570a_100102527693_100000752921 [0,2,0,0,0,0|1,0,1]=4 29912 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)Br 207a_100000106764_100011794424 [0,2,0,0,0,0|1,0,0]=3 29913 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)Br 270302a_100000106764_100011794424 [0,2,0,0,0,0|1,0,0]=3 29914 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)Br 34a_100000106764_100000766940 [0,2,0,0,0,0|1,0,0]=3 29915 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)Cl 207a_100000106764_100000703917 [0,2,0,0,0,0|1,0,0]=3 29916 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)Cl 270302a_100000106764_100000703917 [0,2,0,0,0,0|1,0,0]=3 29917 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)Cl 34a_100000106764_100011219885 [0,2,0,0,0,0|1,0,0]=3 29918 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)F 207a_100000106764_100000743029 [0,2,0,0,0,0|1,0,0]=3 29919 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)F 270302a_100000106764_100000743029 [0,2,0,0,0,0|1,0,0]=3 29920 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)F 34a_100000106764_100000697002 [0,2,0,0,0,0|1,0,0]=3 29921 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)I 207a_100000106764_100010185655 [0,2,0,0,0,0|1,0,0]=3 29922 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)I 270302a_100000106764_100010185655 [0,2,0,0,0,0|1,0,0]=3 29923 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)I 34a_100000106764_100010149605 [0,2,0,0,0,0|1,0,0]=3 29924 B17R2.3212 Fc1cc(cc(c1)COc2ccccc2)Br 34a_100000210340_100000766940 [0,2,0,0,0,0|2,0,0]=4 29925 B17R2.3212 Fc1cc(cc(c1)COc2ccccc2)Br 7a_100000210340_100000766940 [0,2,0,0,0,0|2,0,0]=4 29926 B17R2.3212 Fc1cc(cc(c1)COc2ccccc2)Cl 34a_100000210340_100011219885 [0,2,0,0,0,0|2,0,0]=4 29927 B17R2.3212 Fc1cc(cc(c1)COc2ccccc2)Cl 7a_100000210340_100011219885 [0,2,0,0,0,0|2,0,0]=4 29928 B17R2.3212 Fc1cc(cc(c1)COc2ccccc2)F 34a_100000210340_100000697002 [0,2,0,0,0,0|2,0,0]=4 29929 B17R2.3212 Fc1cc(cc(c1)COc2ccccc2)F 7a_100000210340_100000697002 [0,2,0,0,0,0|2,0,0]=4 29930 B17R2.3212 Fc1cc(cc(c1)COc2ccccc2)I 34a_100000210340_100010149605 [0,2,0,0,0,0|2,0,0]=4 29931 B17R2.3212 Fc1cc(cc(c1)COc2ccccc2)I 7a_100000210340_100010149605 [0,2,0,0,0,0|2,0,0]=4 29932 B17R2.3212 Fc1cc(cc(c1)COc2cccnc2)Br 34a_100000210849_100000766940 [0,2,0,0,0,0|2,0,0]=4 29933 B17R2.3212 Fc1cc(cc(c1)COc2cccnc2)Br 7a_100000210849_100000766940 [0,2,0,0,0,0|2,0,0]=4 29934 B17R2.3212 Fc1cc(cc(c1)COc2cccnc2)Cl 34a_100000210849_100011219885 [0,2,0,0,0,0|2,0,0]=4 29935 B17R2.3212 Fc1cc(cc(c1)COc2cccnc2)Cl 7a_100000210849_100011219885 [0,2,0,0,0,0|2,0,0]=4 29936 B17R2.3212 Fc1cc(cc(c1)COc2cccnc2)F 34a_100000210849_100000697002 [0,2,0,0,0,0|2,0,0]=4 29937 B17R2.3212 Fc1cc(cc(c1)COc2cccnc2)F 7a_100000210849_100000697002 [0,2,0,0,0,0|2,0,0]=4 29938 B17R2.3212 Fc1cc(cc(c1)COc2cccnc2)I 34a_100000210849_100010149605 [0,2,0,0,0,0|2,0,0]=4 29939 B17R2.3212 Fc1cc(cc(c1)COc2cccnc2)I 7a_100000210849_100010149605 [0,2,0,0,0,0|2,0,0]=4 29940 B17R2.3212 Fc1cc(cc(c1)CSc2ccccc2)Br 62a_100000719477_100000766940 [0,2,0,0,0,0|2,0,0]=4 29941 B17R2.3212 Fc1cc(cc(c1)CSc2ccccc2)Br 62a_100000766940_100000041952 [0,2,0,0,0,0|2,0,0]=4 29942 B17R2.3212 Fc1cc(cc(c1)CSc2ccccc2)Cl 62a_100000719477_100011219885 [0,2,0,0,0,0|2,0,0]=4 29943 B17R2.3212 Fc1cc(cc(c1)CSc2ccccc2)Cl 62a_100011219885_100000041952 [0,2,0,0,0,0|2,0,0]=4 29944 B17R2.3212 Fc1cc(cc(c1)CSc2ccccc2)F 62a_100000697002_100000041952 [0,2,0,0,0,0|2,0,0]=4 29945 B17R2.3212 Fc1cc(cc(c1)CSc2ccccc2)F 62a_100000719477_100000697002 [0,2,0,0,0,0|2,0,0]=4 29946 B17R2.3212 Fc1cc(cc(c1)CSc2ccccc2)I 62a_100000719477_100010149605 [0,2,0,0,0,0|2,0,0]=4 29947 B17R2.3212 Fc1cc(cc(c1)CSc2ccccc2)I 62a_100010149605_100000041952 [0,2,0,0,0,0|2,0,0]=4 29948 B17R2.3212 Fc1cc(cc(c1)CSc2cccnc2)Br 62a_100000210063_100000766940 [0,2,0,0,0,0|2,0,0]=4 29949 B17R2.3212 Fc1cc(cc(c1)CSc2cccnc2)Br 62a_100000766940_100000210063 [0,2,0,0,0,0|2,0,0]=4 29950 B17R2.3212 Fc1cc(cc(c1)CSc2cccnc2)Cl 62a_100000210063_100011219885 [0,2,0,0,0,0|2,0,0]=4 29951 B17R2.3212 Fc1cc(cc(c1)CSc2cccnc2)Cl 62a_100011219885_100000210063 [0,2,0,0,0,0|2,0,0]=4 29952 B17R2.3212 Fc1cc(cc(c1)CSc2cccnc2)F 62a_100000210063_100000697002 [0,2,0,0,0,0|2,0,0]=4 29953 B17R2.3212 Fc1cc(cc(c1)CSc2cccnc2)F 62a_100000697002_100000210063 [0,2,0,0,0,0|2,0,0]=4 29954 B17R2.3212 Fc1cc(cc(c1)CSc2cccnc2)I 62a_100000210063_100010149605 [0,2,0,0,0,0|2,0,0]=4 29955 B17R2.3212 Fc1cc(cc(c1)CSc2cccnc2)I 62a_100010149605_100000210063 [0,2,0,0,0,0|2,0,0]=4 29956 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)Br 207a_100000705686_100015611070 [0,2,0,0,0,0|1,0,0]=3 29957 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)Br 270302a_100000705686_100015611070 [0,2,0,0,0,0|1,0,0]=3 29958 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)Br 34a_100000705686_100015291786 [0,2,0,0,0,0|1,0,0]=3 29959 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)Br 7a_100000705686_100000211182 [0,2,0,0,0,0|1,0,0]=3 29960 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)Cl 207a_100000686136_100015611070 [0,2,0,0,0,0|1,0,0]=3 29961 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)Cl 270302a_100000686136_100015611070 [0,2,0,0,0,0|1,0,0]=3 29962 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)Cl 34a_100000686136_100015291786 [0,2,0,0,0,0|1,0,0]=3 29963 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)Cl 7a_100000686136_100000211182 [0,2,0,0,0,0|1,0,0]=3 29964 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)F 207a_100000233717_100015611070 [0,2,0,0,0,0|1,0,0]=3 29965 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)F 270302a_100000233717_100015611070 [0,2,0,0,0,0|1,0,0]=3 29966 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)F 34a_100000233717_100015291786 [0,2,0,0,0,0|1,0,0]=3 29967 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)F 7a_100000233717_100000211182 [0,2,0,0,0,0|1,0,0]=3 29968 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)I 207a_100011356972_100015611070 [0,2,0,0,0,0|1,0,0]=3 29969 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)I 270302a_100011356972_100015611070 [0,2,0,0,0,0|1,0,0]=3 29970 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)I 34a_100011356972_100015291786 [0,2,0,0,0,0|1,0,0]=3 29971 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)I 7a_100011356972_100000211182 [0,2,0,0,0,0|1,0,0]=3 29972 B17R2.3212 Fc1cc(cc(c1)NCc2ccccn2)Br 207a_100000705686_100000209966 [0,2,0,0,0,0|2,0,0]=4 29973 B17R2.3212 Fc1cc(cc(c1)NCc2ccccn2)Br 270302a_100000705686_100000209966 [0,2,0,0,0,0|2,0,0]=4 29974 B17R2.3212 Fc1cc(cc(c1)NCc2ccccn2)Br 34a_100000705686_100000721315 [0,2,0,0,0,0|2,0,0]=4 29975 B17R2.3212 Fc1cc(cc(c1)NCc2ccccn2)Br 7a_100000705686_100000721315 [0,2,0,0,0,0|2,0,0]=4 29976 B17R2.3212 Fc1cc(cc(c1)NCc2ccccn2)Cl 207a_100000686136_100000209966 [0,2,0,0,0,0|2,0,0]=4 29977 B17R2.3212 Fc1cc(cc(c1)NCc2ccccn2)Cl 270302a_100000686136_100000209966 [0,2,0,0,0,0|2,0,0]=4 29978 B17R2.3212 Fc1cc(cc(c1)NCc2ccccn2)Cl 34a_100000686136_100000721315 [0,2,0,0,0,0|2,0,0]=4 29979 B17R2.3212 Fc1cc(cc(c1)NCc2ccccn2)Cl 7a_100000686136_100000721315 [0,2,0,0,0,0|2,0,0]=4 29980 B17R2.3212 Fc1cc(cc(c1)NCc2ccccn2)F 207a_100000233717_100000209966 [0,2,0,0,0,0|2,0,0]=4 29981 B17R2.3212 Fc1cc(cc(c1)NCc2ccccn2)F 270302a_100000233717_100000209966 [0,2,0,0,0,0|2,0,0]=4 29982 B17R2.3212 Fc1cc(cc(c1)NCc2ccccn2)F 34a_100000233717_100000721315 [0,2,0,0,0,0|2,0,0]=4 29983 B17R2.3212 Fc1cc(cc(c1)NCc2ccccn2)F 7a_100000233717_100000721315 [0,2,0,0,0,0|2,0,0]=4 29984 B17R2.3212 Fc1cc(cc(c1)NCc2ccccn2)I 207a_100011356972_100000209966 [0,2,0,0,0,0|2,0,0]=4 29985 B17R2.3212 Fc1cc(cc(c1)NCc2ccccn2)I 270302a_100011356972_100000209966 [0,2,0,0,0,0|2,0,0]=4 29986 B17R2.3212 Fc1cc(cc(c1)NCc2ccccn2)I 34a_100011356972_100000721315 [0,2,0,0,0,0|2,0,0]=4 29987 B17R2.3212 Fc1cc(cc(c1)NCc2ccccn2)I 7a_100011356972_100000721315 [0,2,0,0,0,0|2,0,0]=4 29988 B17R2.3212 Fc1cc(cc(c1)NCc2cccnc2)Br 207a_100000705686_100000209961 [0,2,0,0,0,0|0,0,0]=2 29989 B17R2.3212 Fc1cc(cc(c1)NCc2cccnc2)Br 270302a_100000705686_100000209961 [0,2,0,0,0,0|0,0,0]=2 29990 B17R2.3212 Fc1cc(cc(c1)NCc2cccnc2)Br 34a_100000705686_100000733263 [0,2,0,0,0,0|0,0,0]=2 29991 B17R2.3212 Fc1cc(cc(c1)NCc2cccnc2)Br 7a_100000705686_100000741622 [0,2,0,0,0,0|0,0,0]=2 29992 B17R2.3212 Fc1cc(cc(c1)NCc2cccnc2)Cl 207a_100000686136_100000209961 [0,2,0,0,0,0|0,0,0]=2 29993 B17R2.3212 Fc1cc(cc(c1)NCc2cccnc2)Cl 270302a_100000686136_100000209961 [0,2,0,0,0,0|0,0,0]=2 29994 B17R2.3212 Fc1cc(cc(c1)NCc2cccnc2)Cl 34a_100000686136_100000733263 [0,2,0,0,0,0|0,0,0]=2 29995 B17R2.3212 Fc1cc(cc(c1)NCc2cccnc2)Cl 7a_100000686136_100000741622 [0,2,0,0,0,0|0,0,0]=2 29996 B17R2.3212 Fc1cc(cc(c1)NCc2cccnc2)F 207a_100000233717_100000209961 [0,2,0,0,0,0|0,0,0]=2 29997 B17R2.3212 Fc1cc(cc(c1)NCc2cccnc2)F 270302a_100000233717_100000209961 [0,2,0,0,0,0|0,0,0]=2 29998 B17R2.3212 Fc1cc(cc(c1)NCc2cccnc2)F 34a_100000233717_100000733263 [0,2,0,0,0,0|0,0,0]=2 29999 B17R2.3212 Fc1cc(cc(c1)NCc2cccnc2)F 7a_100000233717_100000741622 [0,2,0,0,0,0|0,0,0]=2 30000 B17R2.3212 Fc1cc(cc(c1)NCc2cccnc2)I 207a_100011356972_100000209961 [0,2,0,0,0,0|0,0,0]=2 30001 B17R2.3212 Fc1cc(cc(c1)NCc2cccnc2)I 270302a_100011356972_100000209961 [0,2,0,0,0,0|0,0,0]=2 30002 B17R2.3212 Fc1cc(cc(c1)NCc2cccnc2)I 34a_100011356972_100000733263 [0,2,0,0,0,0|0,0,0]=2 30003 B17R2.3212 Fc1cc(cc(c1)NCc2cccnc2)I 7a_100011356972_100000741622 [0,2,0,0,0,0|0,0,0]=2 30004 B17R2.3212 Fc1cc(cc(c1)NCc2cccnn2)Br 34a_100000705686_100016990269 [0,2,0,0,0,0|1,0,0]=3 30005 B17R2.3212 Fc1cc(cc(c1)NCc2cccnn2)Br 7a_100000705686_100016990269 [0,2,0,0,0,0|1,0,0]=3 30006 B17R2.3212 Fc1cc(cc(c1)NCc2cccnn2)Cl 34a_100000686136_100016990269 [0,2,0,0,0,0|1,0,0]=3 30007 B17R2.3212 Fc1cc(cc(c1)NCc2cccnn2)Cl 7a_100000686136_100016990269 [0,2,0,0,0,0|1,0,0]=3 30008 B17R2.3212 Fc1cc(cc(c1)NCc2cccnn2)F 34a_100000233717_100016990269 [0,2,0,0,0,0|1,0,0]=3 30009 B17R2.3212 Fc1cc(cc(c1)NCc2cccnn2)F 7a_100000233717_100016990269 [0,2,0,0,0,0|1,0,0]=3 30010 B17R2.3212 Fc1cc(cc(c1)NCc2cccnn2)I 34a_100011356972_100016990269 [0,2,0,0,0,0|1,0,0]=3 30011 B17R2.3212 Fc1cc(cc(c1)NCc2cccnn2)I 7a_100011356972_100016990269 [0,2,0,0,0,0|1,0,0]=3 30012 B17R2.3212 Fc1cc(cc(c1)NCc2ccncc2)Br 207a_100000705686_100000186114 [0,2,0,0,0,0|2,0,0]=4 30013 B17R2.3212 Fc1cc(cc(c1)NCc2ccncc2)Br 7a_100000705686_100015193705 [0,2,0,0,0,0|2,0,0]=4 30014 B17R2.3212 Fc1cc(cc(c1)NCc2ccncc2)Cl 207a_100000686136_100000186114 [0,2,0,0,0,0|2,0,0]=4 30015 B17R2.3212 Fc1cc(cc(c1)NCc2ccncc2)Cl 7a_100000686136_100015193705 [0,2,0,0,0,0|2,0,0]=4 30016 B17R2.3212 Fc1cc(cc(c1)NCc2ccncc2)F 207a_100000233717_100000186114 [0,2,0,0,0,0|2,0,0]=4 30017 B17R2.3212 Fc1cc(cc(c1)NCc2ccncc2)F 7a_100000233717_100015193705 [0,2,0,0,0,0|2,0,0]=4 30018 B17R2.3212 Fc1cc(cc(c1)NCc2ccncc2)I 207a_100011356972_100000186114 [0,2,0,0,0,0|2,0,0]=4 30019 B17R2.3212 Fc1cc(cc(c1)NCc2ccncc2)I 7a_100011356972_100015193705 [0,2,0,0,0,0|2,0,0]=4 30020 B17R2.3212 Fc1cc(cc(c1)NCc2ccnnc2)Br 270302a_100000705686_100011934578 [0,2,0,0,0,0|1,0,0]=3 30021 B17R2.3212 Fc1cc(cc(c1)NCc2ccnnc2)Cl 270302a_100000686136_100011934578 [0,2,0,0,0,0|1,0,0]=3 30022 B17R2.3212 Fc1cc(cc(c1)NCc2ccnnc2)F 270302a_100000233717_100011934578 [0,2,0,0,0,0|1,0,0]=3 30023 B17R2.3212 Fc1cc(cc(c1)NCc2ccnnc2)I 270302a_100011356972_100011934578 [0,2,0,0,0,0|1,0,0]=3 30024 B17R2.3212 Fc1cc(cc(c1)NCc2cnccn2)Br 34a_100000705686_100016995436 [0,2,0,0,0,0|1,0,0]=3 30025 B17R2.3212 Fc1cc(cc(c1)NCc2cnccn2)Br 7a_100000705686_100016995436 [0,2,0,0,0,0|1,0,0]=3 30026 B17R2.3212 Fc1cc(cc(c1)NCc2cnccn2)Cl 34a_100000686136_100016995436 [0,2,0,0,0,0|1,0,0]=3 30027 B17R2.3212 Fc1cc(cc(c1)NCc2cnccn2)Cl 7a_100000686136_100016995436 [0,2,0,0,0,0|1,0,0]=3 30028 B17R2.3212 Fc1cc(cc(c1)NCc2cnccn2)F 34a_100000233717_100016995436 [0,2,0,0,0,0|1,0,0]=3 30029 B17R2.3212 Fc1cc(cc(c1)NCc2cnccn2)F 7a_100000233717_100016995436 [0,2,0,0,0,0|1,0,0]=3 30030 B17R2.3212 Fc1cc(cc(c1)NCc2cnccn2)I 34a_100011356972_100016995436 [0,2,0,0,0,0|1,0,0]=3 30031 B17R2.3212 Fc1cc(cc(c1)NCc2cnccn2)I 7a_100011356972_100016995436 [0,2,0,0,0,0|1,0,0]=3 30032 B17R2.3212 Fc1cc(cc(c1)NCc2cncnc2)Br 270302a_100000705686_100000749868 [0,2,0,0,0,0|1,0,0]=3 30033 B17R2.3212 Fc1cc(cc(c1)NCc2cncnc2)Br 34a_100000705686_100015196519 [0,2,0,0,0,0|1,0,0]=3 30034 B17R2.3212 Fc1cc(cc(c1)NCc2cncnc2)Br 7a_100000705686_100015196519 [0,2,0,0,0,0|1,0,0]=3 30035 B17R2.3212 Fc1cc(cc(c1)NCc2cncnc2)Cl 270302a_100000686136_100000749868 [0,2,0,0,0,0|1,0,0]=3 30036 B17R2.3212 Fc1cc(cc(c1)NCc2cncnc2)Cl 34a_100000686136_100015196519 [0,2,0,0,0,0|1,0,0]=3 30037 B17R2.3212 Fc1cc(cc(c1)NCc2cncnc2)Cl 7a_100000686136_100015196519 [0,2,0,0,0,0|1,0,0]=3 30038 B17R2.3212 Fc1cc(cc(c1)NCc2cncnc2)F 270302a_100000233717_100000749868 [0,2,0,0,0,0|1,0,0]=3 30039 B17R2.3212 Fc1cc(cc(c1)NCc2cncnc2)F 34a_100000233717_100015196519 [0,2,0,0,0,0|1,0,0]=3 30040 B17R2.3212 Fc1cc(cc(c1)NCc2cncnc2)F 7a_100000233717_100015196519 [0,2,0,0,0,0|1,0,0]=3 30041 B17R2.3212 Fc1cc(cc(c1)NCc2cncnc2)I 270302a_100011356972_100000749868 [0,2,0,0,0,0|1,0,0]=3 30042 B17R2.3212 Fc1cc(cc(c1)NCc2cncnc2)I 34a_100011356972_100015196519 [0,2,0,0,0,0|1,0,0]=3 30043 B17R2.3212 Fc1cc(cc(c1)NCc2cncnc2)I 7a_100011356972_100015196519 [0,2,0,0,0,0|1,0,0]=3 30044 B17R2.3212 Fc1cc(cc(c1)OCc2ccccc2)Br 34a_100000688818_100015291786 [0,2,0,0,0,0|2,0,0]=4 30045 B17R2.3212 Fc1cc(cc(c1)OCc2ccccc2)Br 7a_100000688818_100000211182 [0,2,0,0,0,0|2,0,0]=4 30046 B17R2.3212 Fc1cc(cc(c1)OCc2ccccc2)Cl 34a_100011219751_100015291786 [0,2,0,0,0,0|2,0,0]=4 30047 B17R2.3212 Fc1cc(cc(c1)OCc2ccccc2)Cl 7a_100011219751_100000211182 [0,2,0,0,0,0|2,0,0]=4 30048 B17R2.3212 Fc1cc(cc(c1)OCc2ccccc2)F 34a_100000747503_100015291786 [0,2,0,0,0,0|2,0,0]=4 30049 B17R2.3212 Fc1cc(cc(c1)OCc2ccccc2)F 7a_100000747503_100000211182 [0,2,0,0,0,0|2,0,0]=4 30050 B17R2.3212 Fc1cc(cc(c1)OCc2ccccc2)I 34a_100000717995_100015291786 [0,2,0,0,0,0|2,0,0]=4 30051 B17R2.3212 Fc1cc(cc(c1)OCc2ccccc2)I 7a_100000717995_100000211182 [0,2,0,0,0,0|2,0,0]=4 30052 B17R2.3212 Fc1cc(cc(c1)OCc2cccnc2)Br 34a_100000688818_100000733263 [0,2,0,0,0,0|1,0,0]=3 30053 B17R2.3212 Fc1cc(cc(c1)OCc2cccnc2)Br 7a_100000688818_100000741622 [0,2,0,0,0,0|1,0,0]=3 30054 B17R2.3212 Fc1cc(cc(c1)OCc2cccnc2)Cl 34a_100011219751_100000733263 [0,2,0,0,0,0|1,0,0]=3 30055 B17R2.3212 Fc1cc(cc(c1)OCc2cccnc2)Cl 7a_100011219751_100000741622 [0,2,0,0,0,0|1,0,0]=3 30056 B17R2.3212 Fc1cc(cc(c1)OCc2cccnc2)F 34a_100000747503_100000733263 [0,2,0,0,0,0|1,0,0]=3 30057 B17R2.3212 Fc1cc(cc(c1)OCc2cccnc2)F 7a_100000747503_100000741622 [0,2,0,0,0,0|1,0,0]=3 30058 B17R2.3212 Fc1cc(cc(c1)OCc2cccnc2)I 34a_100000717995_100000733263 [0,2,0,0,0,0|1,0,0]=3 30059 B17R2.3212 Fc1cc(cc(c1)OCc2cccnc2)I 7a_100000717995_100000741622 [0,2,0,0,0,0|1,0,0]=3 30060 B17R2.3212 Fc1cc(cc(c1)OCc2cccnn2)Br 34a_100000688818_100016990269 [0,2,0,0,0,0|2,0,0]=4 30061 B17R2.3212 Fc1cc(cc(c1)OCc2cccnn2)Br 7a_100000688818_100016990269 [0,2,0,0,0,0|2,0,0]=4 30062 B17R2.3212 Fc1cc(cc(c1)OCc2cccnn2)Cl 34a_100011219751_100016990269 [0,2,0,0,0,0|2,0,0]=4 30063 B17R2.3212 Fc1cc(cc(c1)OCc2cccnn2)Cl 7a_100011219751_100016990269 [0,2,0,0,0,0|2,0,0]=4 30064 B17R2.3212 Fc1cc(cc(c1)OCc2cccnn2)F 34a_100000747503_100016990269 [0,2,0,0,0,0|2,0,0]=4 30065 B17R2.3212 Fc1cc(cc(c1)OCc2cccnn2)F 7a_100000747503_100016990269 [0,2,0,0,0,0|2,0,0]=4 30066 B17R2.3212 Fc1cc(cc(c1)OCc2cccnn2)I 34a_100000717995_100016990269 [0,2,0,0,0,0|2,0,0]=4 30067 B17R2.3212 Fc1cc(cc(c1)OCc2cccnn2)I 7a_100000717995_100016990269 [0,2,0,0,0,0|2,0,0]=4 30068 B17R2.3212 Fc1cc(cc(c1)OCc2cnccn2)Br 34a_100000688818_100016995436 [0,2,0,0,0,0|2,0,0]=4 30069 B17R2.3212 Fc1cc(cc(c1)OCc2cnccn2)Br 7a_100000688818_100016995436 [0,2,0,0,0,0|2,0,0]=4 30070 B17R2.3212 Fc1cc(cc(c1)OCc2cnccn2)Cl 34a_100011219751_100016995436 [0,2,0,0,0,0|2,0,0]=4 30071 B17R2.3212 Fc1cc(cc(c1)OCc2cnccn2)Cl 7a_100011219751_100016995436 [0,2,0,0,0,0|2,0,0]=4 30072 B17R2.3212 Fc1cc(cc(c1)OCc2cnccn2)F 34a_100000747503_100016995436 [0,2,0,0,0,0|2,0,0]=4 30073 B17R2.3212 Fc1cc(cc(c1)OCc2cnccn2)F 7a_100000747503_100016995436 [0,2,0,0,0,0|2,0,0]=4 30074 B17R2.3212 Fc1cc(cc(c1)OCc2cnccn2)I 34a_100000717995_100016995436 [0,2,0,0,0,0|2,0,0]=4 30075 B17R2.3212 Fc1cc(cc(c1)OCc2cnccn2)I 7a_100000717995_100016995436 [0,2,0,0,0,0|2,0,0]=4 30076 B17R2.3212 Fc1cc(cc(c1)OCc2cncnc2)Br 34a_100000688818_100015196519 [0,2,0,0,0,0|2,0,0]=4 30077 B17R2.3212 Fc1cc(cc(c1)OCc2cncnc2)Br 7a_100000688818_100015196519 [0,2,0,0,0,0|2,0,0]=4 30078 B17R2.3212 Fc1cc(cc(c1)OCc2cncnc2)Cl 34a_100011219751_100015196519 [0,2,0,0,0,0|2,0,0]=4 30079 B17R2.3212 Fc1cc(cc(c1)OCc2cncnc2)Cl 7a_100011219751_100015196519 [0,2,0,0,0,0|2,0,0]=4 30080 B17R2.3212 Fc1cc(cc(c1)OCc2cncnc2)F 34a_100000747503_100015196519 [0,2,0,0,0,0|2,0,0]=4 30081 B17R2.3212 Fc1cc(cc(c1)OCc2cncnc2)F 7a_100000747503_100015196519 [0,2,0,0,0,0|2,0,0]=4 30082 B17R2.3212 Fc1cc(cc(c1)OCc2cncnc2)I 34a_100000717995_100015196519 [0,2,0,0,0,0|2,0,0]=4 30083 B17R2.3212 Fc1cc(cc(c1)OCc2cncnc2)I 7a_100000717995_100015196519 [0,2,0,0,0,0|2,0,0]=4 30084 B17R2.3212 Fc1cc(cc(c1)SCc2ccccc2)Br 62a_100000211182_100009814764 [0,2,0,0,0,0|2,0,0]=4 30085 B17R2.3212 Fc1cc(cc(c1)SCc2ccccc2)Br 62a_100009814764_100015291786 [0,2,0,0,0,0|2,0,0]=4 30086 B17R2.3212 Fc1cc(cc(c1)SCc2ccccc2)Cl 62a_100000211182_100013859453 [0,2,0,0,0,0|2,0,0]=4 30087 B17R2.3212 Fc1cc(cc(c1)SCc2ccccc2)Cl 62a_100013859453_100015291786 [0,2,0,0,0,0|2,0,0]=4 30088 B17R2.3212 Fc1cc(cc(c1)SCc2ccccc2)F 62a_100000211182_100000233788 [0,2,0,0,0,0|2,0,0]=4 30089 B17R2.3212 Fc1cc(cc(c1)SCc2ccccc2)F 62a_100000233788_100015291786 [0,2,0,0,0,0|2,0,0]=4 30090 B17R2.3212 Fc1cc(cc(c1)SCc2cccnc2)Br 62a_100000741622_100009814764 [0,2,0,0,0,0|1,0,0]=3 30091 B17R2.3212 Fc1cc(cc(c1)SCc2cccnc2)Br 62a_100009814764_100000741622 [0,2,0,0,0,0|1,0,0]=3 30092 B17R2.3212 Fc1cc(cc(c1)SCc2cccnc2)Cl 62a_100000741622_100013859453 [0,2,0,0,0,0|1,0,0]=3 30093 B17R2.3212 Fc1cc(cc(c1)SCc2cccnc2)Cl 62a_100013859453_100000741622 [0,2,0,0,0,0|1,0,0]=3 30094 B17R2.3212 Fc1cc(cc(c1)SCc2cccnc2)F 62a_100000233788_100000741622 [0,2,0,0,0,0|1,0,0]=3 30095 B17R2.3212 Fc1cc(cc(c1)SCc2cccnc2)F 62a_100000741622_100000233788 [0,2,0,0,0,0|1,0,0]=3 30096 B17R2.3212 Fc1cc(cc(c1)SCc2cccnn2)Br 62a_100009814764_100016990269 [0,2,0,0,0,0|2,0,0]=4 30097 B17R2.3212 Fc1cc(cc(c1)SCc2cccnn2)Br 62a_100016990269_100009814764 [0,2,0,0,0,0|2,0,0]=4 30098 B17R2.3212 Fc1cc(cc(c1)SCc2cccnn2)Cl 62a_100013859453_100016990269 [0,2,0,0,0,0|2,0,0]=4 30099 B17R2.3212 Fc1cc(cc(c1)SCc2cccnn2)Cl 62a_100016990269_100013859453 [0,2,0,0,0,0|2,0,0]=4 30100 B17R2.3212 Fc1cc(cc(c1)SCc2cccnn2)F 62a_100000233788_100016990269 [0,2,0,0,0,0|2,0,0]=4 30101 B17R2.3212 Fc1cc(cc(c1)SCc2cccnn2)F 62a_100016990269_100000233788 [0,2,0,0,0,0|2,0,0]=4 30102 B17R2.3212 Fc1cc(cc(c1)SCc2cnccn2)Br 62a_100009814764_100016995436 [0,2,0,0,0,0|2,0,0]=4 30103 B17R2.3212 Fc1cc(cc(c1)SCc2cnccn2)Br 62a_100016995436_100009814764 [0,2,0,0,0,0|2,0,0]=4 30104 B17R2.3212 Fc1cc(cc(c1)SCc2cnccn2)Cl 62a_100013859453_100016995436 [0,2,0,0,0,0|2,0,0]=4 30105 B17R2.3212 Fc1cc(cc(c1)SCc2cnccn2)Cl 62a_100016995436_100013859453 [0,2,0,0,0,0|2,0,0]=4 30106 B17R2.3212 Fc1cc(cc(c1)SCc2cnccn2)F 62a_100000233788_100016995436 [0,2,0,0,0,0|2,0,0]=4 30107 B17R2.3212 Fc1cc(cc(c1)SCc2cnccn2)F 62a_100016995436_100000233788 [0,2,0,0,0,0|2,0,0]=4 30108 B17R2.3212 Fc1cc(cc(c1)SCc2cncnc2)Br 62a_100009814764_100015196519 [0,2,0,0,0,0|2,0,0]=4 30109 B17R2.3212 Fc1cc(cc(c1)SCc2cncnc2)Br 62a_100015196519_100009814764 [0,2,0,0,0,0|2,0,0]=4 30110 B17R2.3212 Fc1cc(cc(c1)SCc2cncnc2)Cl 62a_100013859453_100015196519 [0,2,0,0,0,0|2,0,0]=4 30111 B17R2.3212 Fc1cc(cc(c1)SCc2cncnc2)Cl 62a_100015196519_100013859453 [0,2,0,0,0,0|2,0,0]=4 30112 B17R2.3212 Fc1cc(cc(c1)SCc2cncnc2)F 62a_100000233788_100015196519 [0,2,0,0,0,0|2,0,0]=4 30113 B17R2.3212 Fc1cc(cc(c1)SCc2cncnc2)F 62a_100015196519_100000233788 [0,2,0,0,0,0|2,0,0]=4 30114 B17R2.3212 Fc1cc(cc(n1)Cl)NCc2ccccc2 27a_100015324214_100011069727 [0,2,0,0,0,0|2,0,0]=4 30115 B17R2.3212 Fc1cc(cc(n1)Cl)NCc2cccnc2 27a_100000210453_100011069727 [0,2,0,0,0,0|1,0,0]=3 30116 B17R2.3212 Fc1cc(cc(n1)Cl)NCc2cccnn2 27a_100159270163_100011069727 [0,2,0,0,0,0|2,0,0]=4 30117 B17R2.3212 Fc1cc(cc(n1)Cl)NCc2cnccn2 27a_100000737960_100011069727 [0,2,0,0,0,0|2,0,0]=4 30118 B17R2.3212 Fc1cc(cc(n1)Cl)NCc2cncnc2 27a_100011243677_100011069727 [0,2,0,0,0,0|2,0,0]=4 30119 B17R2.3212 Fc1cc(cc(n1)Cl)SCc2cccnc2 62a_100000741622_100011069727 [0,2,0,0,0,0|2,0,0]=4 30120 B17R2.3212 Fc1cc(cc(n1)Cl)SCc2cccnc2 62a_100011069727_100000741622 [0,2,0,0,0,0|2,0,0]=4 30121 B17R2.3212 Fc1cc(cc(n1)F)NCc2ccccc2 27a_100015324214_100000049587 [0,2,0,0,0,0|2,0,0]=4 30122 B17R2.3212 Fc1cc(cc(n1)F)NCc2cccnc2 27a_100000210453_100000049587 [0,2,0,0,0,0|1,0,0]=3 30123 B17R2.3212 Fc1cc(cc(n1)F)NCc2cccnn2 27a_100159270163_100000049587 [0,2,0,0,0,0|2,0,0]=4 30124 B17R2.3212 Fc1cc(cc(n1)F)NCc2cnccn2 27a_100000737960_100000049587 [0,2,0,0,0,0|2,0,0]=4 30125 B17R2.3212 Fc1cc(cc(n1)F)NCc2cncnc2 27a_100011243677_100000049587 [0,2,0,0,0,0|2,0,0]=4 30126 B17R2.3212 Fc1cc(cc(n1)F)SCc2cccnc2 62a_100000049587_100000741622 [0,2,0,0,0,0|2,0,0]=4 30127 B17R2.3212 Fc1cc(cc(n1)F)SCc2cccnc2 62a_100000741622_100000049587 [0,2,0,0,0,0|2,0,0]=4 30128 B17R2.3212 Ic1cc(cc(c1)CNc2ccccc2)I 207a_100000106764_100010185653 [0,2,0,0,0,0|1,0,0]=3 30129 B17R2.3212 Ic1cc(cc(c1)CNc2ccccc2)I 270302a_100000106764_100010185653 [0,2,0,0,0,0|1,0,0]=3 30130 B17R2.3212 Ic1cc(cc(c1)NCc2ccccc2)I 207a_200000696836_100015611070 [0,2,0,0,0,0|1,0,0]=3 30131 B17R2.3212 Ic1cc(cc(c1)NCc2ccccc2)I 270302a_200000696836_100015611070 [0,2,0,0,0,0|1,0,0]=3 30132 B17R2.3212 Ic1cc(cc(c1)NCc2ccccc2)I 7a_200000696836_100000211182 [0,2,0,0,0,0|1,0,0]=3 30133 B17R2.3212 Ic1cc(cc(c1)NCc2ccccn2)I 207a_200000696836_100000209966 [0,2,0,0,0,0|2,0,0]=4 30134 B17R2.3212 Ic1cc(cc(c1)NCc2ccccn2)I 270302a_200000696836_100000209966 [0,2,0,0,0,0|2,0,0]=4 30135 B17R2.3212 Ic1cc(cc(c1)NCc2ccccn2)I 7a_200000696836_100000721315 [0,2,0,0,0,0|2,0,0]=4 30136 B17R2.3212 Ic1cc(cc(c1)NCc2cccnc2)I 207a_200000696836_100000209961 [0,2,0,0,0,0|0,0,0]=2 30137 B17R2.3212 Ic1cc(cc(c1)NCc2cccnc2)I 270302a_200000696836_100000209961 [0,2,0,0,0,0|0,0,0]=2 30138 B17R2.3212 Ic1cc(cc(c1)NCc2cccnc2)I 7a_200000696836_100000741622 [0,2,0,0,0,0|0,0,0]=2 30139 B17R2.3212 Ic1cc(cc(c1)NCc2cccnn2)I 7a_200000696836_100016990269 [0,2,0,0,0,0|1,0,0]=3 30140 B17R2.3212 Ic1cc(cc(c1)NCc2ccncc2)I 207a_200000696836_100000186114 [0,2,0,0,0,0|2,0,0]=4 30141 B17R2.3212 Ic1cc(cc(c1)NCc2ccncc2)I 7a_200000696836_100015193705 [0,2,0,0,0,0|2,0,0]=4 30142 B17R2.3212 Ic1cc(cc(c1)NCc2ccnnc2)I 270302a_200000696836_100011934578 [0,2,0,0,0,0|1,0,0]=3 30143 B17R2.3212 Ic1cc(cc(c1)NCc2cnccn2)I 7a_200000696836_100016995436 [0,2,0,0,0,0|1,0,0]=3 30144 B17R2.3212 Ic1cc(cc(c1)NCc2cncnc2)I 270302a_200000696836_100000749868 [0,2,0,0,0,0|1,0,0]=3 30145 B17R2.3212 Ic1cc(cc(c1)NCc2cncnc2)I 7a_200000696836_100015196519 [0,2,0,0,0,0|1,0,0]=3 30146 B17R2.3212 Nc1cc(=O)nc([nH]1)NCc2cccnc2 27a_100000210453_100000101444 [0,2,0,0,0,0|2,0,0]=4 30147 B17R2.3212 Nc1cc(cc(c1)C=Cc2cccnc2)Br 271570a_100102525586_100009814763 [0,2,0,0,0,0|1,0,1]=4 30148 B17R2.3212 Nc1cc(cc(c1)C=Cc2cccnc2)Cl 271570a_100102525586_100010147676 [0,2,0,0,0,0|1,0,1]=4 30149 B17R2.3212 Nc1cc(cc(c1)C=Cc2cccnc2)F 271570a_100102525586_100011356972 [0,2,0,0,0,0|1,0,1]=4 30150 B17R2.3212 Nc1cc(cc(c1)C=Cc2cccnc2)N 271570a_100102525586_100011999608 [0,2,0,0,0,0|1,0,1]=4 30151 B17R2.3212 Nc1cc(cc(c1)OCc2ccccc2)Cl 34a_100000123917_100015291786 [0,2,0,0,0,0|2,0,0]=4 30152 B17R2.3212 Nc1cc(cc(c1)OCc2ccccc2)Cl 7a_100000123917_100000211182 [0,2,0,0,0,0|2,0,0]=4 30153 B17R2.3212 Nc1cc(cc(c1)OCc2ccccc2)O 271570a_203496583355_100014046770 [0,2,0,0,0,0|2,0,0]=4 30154 B17R2.3212 Nc1cc(cc(c1)OCc2cccnc2)Cl 34a_100000123917_100000733263 [0,2,0,0,0,0|1,0,0]=3 30155 B17R2.3212 Nc1cc(cc(c1)OCc2cccnc2)Cl 7a_100000123917_100000741622 [0,2,0,0,0,0|1,0,0]=3 30156 B17R2.3212 Nc1cc(cc(c1)OCc2cccnn2)Cl 34a_100000123917_100016990269 [0,2,0,0,0,0|2,0,0]=4 30157 B17R2.3212 Nc1cc(cc(c1)OCc2cccnn2)Cl 7a_100000123917_100016990269 [0,2,0,0,0,0|2,0,0]=4 30158 B17R2.3212 Nc1cc(cc(c1)OCc2cnccn2)Cl 34a_100000123917_100016995436 [0,2,0,0,0,0|2,0,0]=4 30159 B17R2.3212 Nc1cc(cc(c1)OCc2cnccn2)Cl 7a_100000123917_100016995436 [0,2,0,0,0,0|2,0,0]=4 30160 B17R2.3212 Nc1cc(cc(c1)OCc2cncnc2)Cl 34a_100000123917_100015196519 [0,2,0,0,0,0|2,0,0]=4 30161 B17R2.3212 Nc1cc(cc(c1)OCc2cncnc2)Cl 7a_100000123917_100015196519 [0,2,0,0,0,0|2,0,0]=4 30162 B17R2.3212 Nc1cc(cc(c1)SCc2ccccc2)Br 62a_100000211182_100009814763 [0,2,0,0,0,0|2,0,0]=4 30163 B17R2.3212 Nc1cc(cc(c1)SCc2ccccc2)Br 62a_100009814763_100015291786 [0,2,0,0,0,0|2,0,0]=4 30164 B17R2.3212 Nc1cc(cc(c1)SCc2ccccc2)Cl 62a_100000211182_100010147676 [0,2,0,0,0,0|2,0,0]=4 30165 B17R2.3212 Nc1cc(cc(c1)SCc2ccccc2)Cl 62a_100010147676_100015291786 [0,2,0,0,0,0|2,0,0]=4 30166 B17R2.3212 Nc1cc(cc(c1)SCc2ccccc2)F 62a_100000211182_100011356972 [0,2,0,0,0,0|2,0,0]=4 30167 B17R2.3212 Nc1cc(cc(c1)SCc2ccccc2)F 62a_100011356972_100015291786 [0,2,0,0,0,0|2,0,0]=4 30168 B17R2.3212 Nc1cc(cc(c1)SCc2ccccc2)N 62a_100000211182_100011999608 [0,2,0,0,0,0|2,0,0]=4 30169 B17R2.3212 Nc1cc(cc(c1)SCc2ccccc2)N 62a_100011999608_100015291786 [0,2,0,0,0,0|2,0,0]=4 30170 B17R2.3212 Nc1cc(cc(c1)SCc2cccnc2)Br 62a_100000741622_100009814763 [0,2,0,0,0,0|1,0,0]=3 30171 B17R2.3212 Nc1cc(cc(c1)SCc2cccnc2)Br 62a_100009814763_100000741622 [0,2,0,0,0,0|1,0,0]=3 30172 B17R2.3212 Nc1cc(cc(c1)SCc2cccnc2)Cl 62a_100000741622_100010147676 [0,2,0,0,0,0|1,0,0]=3 30173 B17R2.3212 Nc1cc(cc(c1)SCc2cccnc2)Cl 62a_100010147676_100000741622 [0,2,0,0,0,0|1,0,0]=3 30174 B17R2.3212 Nc1cc(cc(c1)SCc2cccnc2)F 62a_100000741622_100011356972 [0,2,0,0,0,0|1,0,0]=3 30175 B17R2.3212 Nc1cc(cc(c1)SCc2cccnc2)F 62a_100011356972_100000741622 [0,2,0,0,0,0|1,0,0]=3 30176 B17R2.3212 Nc1cc(cc(c1)SCc2cccnc2)N 62a_100000741622_100011999608 [0,2,0,0,0,0|1,0,0]=3 30177 B17R2.3212 Nc1cc(cc(c1)SCc2cccnc2)N 62a_100011999608_100000741622 [0,2,0,0,0,0|1,0,0]=3 30178 B17R2.3212 Nc1cc(cc(c1)SCc2cccnn2)Br 62a_100009814763_100016990269 [0,2,0,0,0,0|2,0,0]=4 30179 B17R2.3212 Nc1cc(cc(c1)SCc2cccnn2)Br 62a_100016990269_100009814763 [0,2,0,0,0,0|2,0,0]=4 30180 B17R2.3212 Nc1cc(cc(c1)SCc2cccnn2)Cl 62a_100010147676_100016990269 [0,2,0,0,0,0|2,0,0]=4 30181 B17R2.3212 Nc1cc(cc(c1)SCc2cccnn2)Cl 62a_100016990269_100010147676 [0,2,0,0,0,0|2,0,0]=4 30182 B17R2.3212 Nc1cc(cc(c1)SCc2cccnn2)F 62a_100011356972_100016990269 [0,2,0,0,0,0|2,0,0]=4 30183 B17R2.3212 Nc1cc(cc(c1)SCc2cccnn2)F 62a_100016990269_100011356972 [0,2,0,0,0,0|2,0,0]=4 30184 B17R2.3212 Nc1cc(cc(c1)SCc2cccnn2)N 62a_100011999608_100016990269 [0,2,0,0,0,0|2,0,0]=4 30185 B17R2.3212 Nc1cc(cc(c1)SCc2cccnn2)N 62a_100016990269_100011999608 [0,2,0,0,0,0|2,0,0]=4 30186 B17R2.3212 Nc1cc(cc(c1)SCc2cnccn2)Br 62a_100009814763_100016995436 [0,2,0,0,0,0|2,0,0]=4 30187 B17R2.3212 Nc1cc(cc(c1)SCc2cnccn2)Br 62a_100016995436_100009814763 [0,2,0,0,0,0|2,0,0]=4 30188 B17R2.3212 Nc1cc(cc(c1)SCc2cnccn2)Cl 62a_100010147676_100016995436 [0,2,0,0,0,0|2,0,0]=4 30189 B17R2.3212 Nc1cc(cc(c1)SCc2cnccn2)Cl 62a_100016995436_100010147676 [0,2,0,0,0,0|2,0,0]=4 30190 B17R2.3212 Nc1cc(cc(c1)SCc2cnccn2)F 62a_100011356972_100016995436 [0,2,0,0,0,0|2,0,0]=4 30191 B17R2.3212 Nc1cc(cc(c1)SCc2cnccn2)F 62a_100016995436_100011356972 [0,2,0,0,0,0|2,0,0]=4 30192 B17R2.3212 Nc1cc(cc(c1)SCc2cnccn2)N 62a_100011999608_100016995436 [0,2,0,0,0,0|2,0,0]=4 30193 B17R2.3212 Nc1cc(cc(c1)SCc2cnccn2)N 62a_100016995436_100011999608 [0,2,0,0,0,0|2,0,0]=4 30194 B17R2.3212 Nc1cc(cc(c1)SCc2cncnc2)Br 62a_100009814763_100015196519 [0,2,0,0,0,0|2,0,0]=4 30195 B17R2.3212 Nc1cc(cc(c1)SCc2cncnc2)Br 62a_100015196519_100009814763 [0,2,0,0,0,0|2,0,0]=4 30196 B17R2.3212 Nc1cc(cc(c1)SCc2cncnc2)Cl 62a_100010147676_100015196519 [0,2,0,0,0,0|2,0,0]=4 30197 B17R2.3212 Nc1cc(cc(c1)SCc2cncnc2)Cl 62a_100015196519_100010147676 [0,2,0,0,0,0|2,0,0]=4 30198 B17R2.3212 Nc1cc(cc(c1)SCc2cncnc2)F 62a_100011356972_100015196519 [0,2,0,0,0,0|2,0,0]=4 30199 B17R2.3212 Nc1cc(cc(c1)SCc2cncnc2)F 62a_100015196519_100011356972 [0,2,0,0,0,0|2,0,0]=4 30200 B17R2.3212 Nc1cc(cc(c1)SCc2cncnc2)N 62a_100011999608_100015196519 [0,2,0,0,0,0|2,0,0]=4 30201 B17R2.3212 Nc1cc(cc(c1)SCc2cncnc2)N 62a_100015196519_100011999608 [0,2,0,0,0,0|2,0,0]=4 30202 B17R2.3212 Nc1cc(cc(n1)Cl)SCc2cccnc2 62a_100000741622_200011084131 [0,2,0,0,0,0|2,0,0]=4 30203 B17R2.3212 Nc1cc(cc(n1)Cl)SCc2cccnc2 62a_200011084131_100000741622 [0,2,0,0,0,0|2,0,0]=4 30204 B17R2.3212 Nc1cc(cc(n1)N)SCc2cccnc2 62a_100009816676_100000741622 [0,2,0,0,0,0|2,0,0]=4 30205 B17R2.3212 Nc1cc(nc(c1)SCc2cccnc2)O 62a_100000741622_200012179554 [0,2,0,0,0,0|2,0,0]=4 30206 B17R2.3212 Nc1nc(cc(n1)NCc2cccnc2)O 27a_100000210453_100000694715 [0,2,0,0,0,0|2,0,0]=4 30207 B17R2.3212 O=c1cc([nH]c(=O)[nH]1)NCc2cccnc2 27a_100000210453_100000015670 [0,2,0,0,0,0|2,0,0]=4 30208 B17R2.3212 Oc1cc(cc(c1)C=Cc2cccnc2)Br 271570a_100102525586_100010068917 [0,2,0,0,0,0|1,0,1]=4 30209 B17R2.3212 Oc1cc(cc(c1)C=Cc2cccnc2)Cl 271570a_100102525586_100010068924 [0,2,0,0,0,0|1,0,1]=4 30210 B17R2.3212 Oc1cc(cc(c1)C=Cc2cccnc2)F 271570a_100102525586_100000717995 [0,2,0,0,0,0|1,0,1]=4 30211 B17R2.3212 Oc1cc(cc(c1)C=Cc2cccnc2)O 271570a_100102525586_100009868816 [0,2,0,0,0,0|1,0,1]=4 30212 B17R2.3212 Oc1cc(cc(c1)CNc2ccccc2)Br 207a_100000106764_100010176088 [0,2,0,0,0,0|1,0,0]=3 30213 B17R2.3212 Oc1cc(cc(c1)CNc2ccccc2)Cl 207a_100000106764_100000050827 [0,2,0,0,0,0|1,0,0]=3 30214 B17R2.3212 Oc1cc(cc(c1)CNc2ccccc2)F 207a_100000106764_100000703664 [0,2,0,0,0,0|1,0,0]=3 30215 B17R2.3212 Oc1cc(cc(c1)CNc2ccccc2)O 207a_100000106764_100000043415 [0,2,0,0,0,0|1,0,0]=3 30216 B17R2.3212 Oc1cc(cc(c1)NCc2ccccc2)Cl 270302a_100000123917_100015611070 [0,2,0,0,0,0|1,0,0]=3 30217 B17R2.3212 Oc1cc(cc(c1)NCc2ccccc2)Cl 34a_100000123917_100015291786 [0,2,0,0,0,0|1,0,0]=3 30218 B17R2.3212 Oc1cc(cc(c1)NCc2ccccc2)Cl 7a_100000123917_100000211182 [0,2,0,0,0,0|1,0,0]=3 30219 B17R2.3212 Oc1cc(cc(c1)NCc2ccccc2)O 270302a_100000043371_100015611070 [0,2,0,0,0,0|1,0,0]=3 30220 B17R2.3212 Oc1cc(cc(c1)NCc2ccccc2)O 34a_100000043371_100015291786 [0,2,0,0,0,0|1,0,0]=3 30221 B17R2.3212 Oc1cc(cc(c1)NCc2ccccn2)Cl 270302a_100000123917_100000209966 [0,2,0,0,0,0|2,0,0]=4 30222 B17R2.3212 Oc1cc(cc(c1)NCc2ccccn2)Cl 34a_100000123917_100000721315 [0,2,0,0,0,0|2,0,0]=4 30223 B17R2.3212 Oc1cc(cc(c1)NCc2ccccn2)Cl 7a_100000123917_100000721315 [0,2,0,0,0,0|2,0,0]=4 30224 B17R2.3212 Oc1cc(cc(c1)NCc2ccccn2)O 270302a_100000043371_100000209966 [0,2,0,0,0,0|2,0,0]=4 30225 B17R2.3212 Oc1cc(cc(c1)NCc2ccccn2)O 34a_100000043371_100000721315 [0,2,0,0,0,0|2,0,0]=4 30226 B17R2.3212 Oc1cc(cc(c1)NCc2cccnc2)Cl 270302a_100000123917_100000209961 [0,2,0,0,0,0|0,0,0]=2 30227 B17R2.3212 Oc1cc(cc(c1)NCc2cccnc2)Cl 34a_100000123917_100000733263 [0,2,0,0,0,0|0,0,0]=2 30228 B17R2.3212 Oc1cc(cc(c1)NCc2cccnc2)Cl 7a_100000123917_100000741622 [0,2,0,0,0,0|0,0,0]=2 30229 B17R2.3212 Oc1cc(cc(c1)NCc2cccnc2)O 270302a_100000043371_100000209961 [0,2,0,0,0,0|0,0,0]=2 30230 B17R2.3212 Oc1cc(cc(c1)NCc2cccnc2)O 34a_100000043371_100000733263 [0,2,0,0,0,0|0,0,0]=2 30231 B17R2.3212 Oc1cc(cc(c1)NCc2cccnn2)Cl 34a_100000123917_100016990269 [0,2,0,0,0,0|1,0,0]=3 30232 B17R2.3212 Oc1cc(cc(c1)NCc2cccnn2)Cl 7a_100000123917_100016990269 [0,2,0,0,0,0|1,0,0]=3 30233 B17R2.3212 Oc1cc(cc(c1)NCc2cccnn2)O 34a_100000043371_100016990269 [0,2,0,0,0,0|1,0,0]=3 30234 B17R2.3212 Oc1cc(cc(c1)NCc2ccncc2)Cl 7a_100000123917_100015193705 [0,2,0,0,0,0|2,0,0]=4 30235 B17R2.3212 Oc1cc(cc(c1)NCc2ccnnc2)Cl 270302a_100000123917_100011934578 [0,2,0,0,0,0|1,0,0]=3 30236 B17R2.3212 Oc1cc(cc(c1)NCc2ccnnc2)O 270302a_100000043371_100011934578 [0,2,0,0,0,0|1,0,0]=3 30237 B17R2.3212 Oc1cc(cc(c1)NCc2cnccn2)Cl 34a_100000123917_100016995436 [0,2,0,0,0,0|1,0,0]=3 30238 B17R2.3212 Oc1cc(cc(c1)NCc2cnccn2)Cl 7a_100000123917_100016995436 [0,2,0,0,0,0|1,0,0]=3 30239 B17R2.3212 Oc1cc(cc(c1)NCc2cnccn2)O 34a_100000043371_100016995436 [0,2,0,0,0,0|1,0,0]=3 30240 B17R2.3212 Oc1cc(cc(c1)NCc2cncnc2)Cl 270302a_100000123917_100000749868 [0,2,0,0,0,0|1,0,0]=3 30241 B17R2.3212 Oc1cc(cc(c1)NCc2cncnc2)Cl 34a_100000123917_100015196519 [0,2,0,0,0,0|1,0,0]=3 30242 B17R2.3212 Oc1cc(cc(c1)NCc2cncnc2)Cl 7a_100000123917_100015196519 [0,2,0,0,0,0|1,0,0]=3 30243 B17R2.3212 Oc1cc(cc(c1)NCc2cncnc2)O 270302a_100000043371_100000749868 [0,2,0,0,0,0|1,0,0]=3 30244 B17R2.3212 Oc1cc(cc(c1)NCc2cncnc2)O 34a_100000043371_100015196519 [0,2,0,0,0,0|1,0,0]=3 30245 B17R2.3212 Oc1cc(cc(c1)OCc2ccccc2)F 271570a_203496583355_200012351504 [0,2,0,0,0,0|2,0,0]=4 30246 B17R2.3212 Oc1cc(cc(c1)SCc2ccccc2)Br 62a_100000211182_100010068917 [0,2,0,0,0,0|2,0,0]=4 30247 B17R2.3212 Oc1cc(cc(c1)SCc2ccccc2)Br 62a_100010068917_100015291786 [0,2,0,0,0,0|2,0,0]=4 30248 B17R2.3212 Oc1cc(cc(c1)SCc2ccccc2)Cl 62a_100000211182_100010068924 [0,2,0,0,0,0|2,0,0]=4 30249 B17R2.3212 Oc1cc(cc(c1)SCc2ccccc2)Cl 62a_100010068924_100015291786 [0,2,0,0,0,0|2,0,0]=4 30250 B17R2.3212 Oc1cc(cc(c1)SCc2ccccc2)F 62a_100000211182_100000688818 [0,2,0,0,0,0|2,0,0]=4 30251 B17R2.3212 Oc1cc(cc(c1)SCc2ccccc2)F 62a_100000688818_100015291786 [0,2,0,0,0,0|2,0,0]=4 30252 B17R2.3212 Oc1cc(cc(c1)SCc2ccccc2)O 62a_100000211182_100009868816 [0,2,0,0,0,0|2,0,0]=4 30253 B17R2.3212 Oc1cc(cc(c1)SCc2cccnc2)Br 62a_100000741622_100010068917 [0,2,0,0,0,0|1,0,0]=3 30254 B17R2.3212 Oc1cc(cc(c1)SCc2cccnc2)Br 62a_100010068917_100000741622 [0,2,0,0,0,0|1,0,0]=3 30255 B17R2.3212 Oc1cc(cc(c1)SCc2cccnc2)Cl 62a_100000741622_100010068924 [0,2,0,0,0,0|1,0,0]=3 30256 B17R2.3212 Oc1cc(cc(c1)SCc2cccnc2)Cl 62a_100010068924_100000741622 [0,2,0,0,0,0|1,0,0]=3 30257 B17R2.3212 Oc1cc(cc(c1)SCc2cccnc2)F 62a_100000688818_100000741622 [0,2,0,0,0,0|1,0,0]=3 30258 B17R2.3212 Oc1cc(cc(c1)SCc2cccnc2)F 62a_100000741622_100000688818 [0,2,0,0,0,0|1,0,0]=3 30259 B17R2.3212 Oc1cc(cc(c1)SCc2cccnc2)O 62a_100000741622_100009868816 [0,2,0,0,0,0|1,0,0]=3 30260 B17R2.3212 Oc1cc(cc(c1)SCc2cccnn2)Br 62a_100010068917_100016990269 [0,2,0,0,0,0|2,0,0]=4 30261 B17R2.3212 Oc1cc(cc(c1)SCc2cccnn2)Br 62a_100016990269_100010068917 [0,2,0,0,0,0|2,0,0]=4 30262 B17R2.3212 Oc1cc(cc(c1)SCc2cccnn2)Cl 62a_100010068924_100016990269 [0,2,0,0,0,0|2,0,0]=4 30263 B17R2.3212 Oc1cc(cc(c1)SCc2cccnn2)Cl 62a_100016990269_100010068924 [0,2,0,0,0,0|2,0,0]=4 30264 B17R2.3212 Oc1cc(cc(c1)SCc2cccnn2)F 62a_100000688818_100016990269 [0,2,0,0,0,0|2,0,0]=4 30265 B17R2.3212 Oc1cc(cc(c1)SCc2cccnn2)F 62a_100016990269_100000688818 [0,2,0,0,0,0|2,0,0]=4 30266 B17R2.3212 Oc1cc(cc(c1)SCc2cccnn2)O 62a_100016990269_100009868816 [0,2,0,0,0,0|2,0,0]=4 30267 B17R2.3212 Oc1cc(cc(c1)SCc2cnccn2)Br 62a_100010068917_100016995436 [0,2,0,0,0,0|2,0,0]=4 30268 B17R2.3212 Oc1cc(cc(c1)SCc2cnccn2)Br 62a_100016995436_100010068917 [0,2,0,0,0,0|2,0,0]=4 30269 B17R2.3212 Oc1cc(cc(c1)SCc2cnccn2)Cl 62a_100010068924_100016995436 [0,2,0,0,0,0|2,0,0]=4 30270 B17R2.3212 Oc1cc(cc(c1)SCc2cnccn2)Cl 62a_100016995436_100010068924 [0,2,0,0,0,0|2,0,0]=4 30271 B17R2.3212 Oc1cc(cc(c1)SCc2cnccn2)F 62a_100000688818_100016995436 [0,2,0,0,0,0|2,0,0]=4 30272 B17R2.3212 Oc1cc(cc(c1)SCc2cnccn2)F 62a_100016995436_100000688818 [0,2,0,0,0,0|2,0,0]=4 30273 B17R2.3212 Oc1cc(cc(c1)SCc2cnccn2)O 62a_100016995436_100009868816 [0,2,0,0,0,0|2,0,0]=4 30274 B17R2.3212 Oc1cc(cc(c1)SCc2cncnc2)Br 62a_100010068917_100015196519 [0,2,0,0,0,0|2,0,0]=4 30275 B17R2.3212 Oc1cc(cc(c1)SCc2cncnc2)Br 62a_100015196519_100010068917 [0,2,0,0,0,0|2,0,0]=4 30276 B17R2.3212 Oc1cc(cc(c1)SCc2cncnc2)Cl 62a_100010068924_100015196519 [0,2,0,0,0,0|2,0,0]=4 30277 B17R2.3212 Oc1cc(cc(c1)SCc2cncnc2)Cl 62a_100015196519_100010068924 [0,2,0,0,0,0|2,0,0]=4 30278 B17R2.3212 Oc1cc(cc(c1)SCc2cncnc2)F 62a_100000688818_100015196519 [0,2,0,0,0,0|2,0,0]=4 30279 B17R2.3212 Oc1cc(cc(c1)SCc2cncnc2)F 62a_100015196519_100000688818 [0,2,0,0,0,0|2,0,0]=4 30280 B17R2.3212 Oc1cc(cc(c1)SCc2cncnc2)O 62a_100015196519_100009868816 [0,2,0,0,0,0|2,0,0]=4 30281 B17R2.5300 Brc1cc(ccn1)CNc2cccc(c2)I 34a_100000211102_100010243470 [0,2,0,0,0,0|2,0,0]=4 30282 B17R2.5300 Brc1cccc(c1)CNc2cccc(c2)Br 207a_100000210019_100000210085 [0,2,0,0,0,0|1,0,0]=3 30283 B17R2.5300 Brc1cccc(c1)CNc2cccc(c2)Br 270302a_100000210019_100000210085 [0,2,0,0,0,0|1,0,0]=3 30284 B17R2.5300 Brc1cccc(c1)CNc2cccc(c2)Br 34a_100000210019_100000698116 [0,2,0,0,0,0|1,0,0]=3 30285 B17R2.5300 Brc1cccc(c1)CNc2cccc(c2)I 207a_100000211102_100000210085 [0,2,0,0,0,0|1,0,0]=3 30286 B17R2.5300 Brc1cccc(c1)CNc2cccc(c2)I 270302a_100000211102_100000210085 [0,2,0,0,0,0|1,0,0]=3 30287 B17R2.5300 Brc1cccc(c1)CNc2cccc(c2)I 34a_100000211102_100000698116 [0,2,0,0,0,0|1,0,0]=3 30288 B17R2.5300 Brc1cccc(c1)COc2cccc(c2)Br 34a_100000210342_100000698116 [0,2,0,0,0,0|2,0,0]=4 30289 B17R2.5300 Brc1cccc(c1)COc2cccc(c2)Br 7a_100000210342_100000211773 [0,2,0,0,0,0|2,0,0]=4 30290 B17R2.5300 Brc1cccc(c1)COc2cccc(c2)I 34a_100000211634_100000698116 [0,2,0,0,0,0|2,0,0]=4 30291 B17R2.5300 Brc1cccc(c1)COc2cccc(c2)I 7a_100000211634_100000211773 [0,2,0,0,0,0|2,0,0]=4 30292 B17R2.5300 Brc1cccc(c1)COc2cncc(c2)Br 34a_100000754920_100000698116 [0,2,0,0,0,0|2,0,0]=4 30293 B17R2.5300 Brc1cccc(c1)COc2cncc(c2)Br 7a_100000754920_100000211773 [0,2,0,0,0,0|2,0,0]=4 30294 B17R2.5300 Brc1cccc(c1)CSc2cccc(c2)Br 62a_100000211773_100000691529 [0,2,0,0,0,0|2,0,0]=4 30295 B17R2.5300 Brc1cccc(c1)CSc2cccc(c2)Br 62a_100000691529_100000211773 [0,2,0,0,0,0|2,0,0]=4 30296 B17R2.5300 Brc1cccc(c1)CSc2cncc(c2)Br 62a_100000211773_100000728054 [0,2,0,0,0,0|2,0,0]=4 30297 B17R2.5300 Brc1cccc(c1)CSc2cncc(c2)Br 62a_100000728054_100000211773 [0,2,0,0,0,0|2,0,0]=4 30298 B17R2.5300 Brc1cccc(c1)NCc2cc(ccn2)Br 34a_100000210019_100010173614 [0,2,0,0,0,0|2,0,0]=4 30299 B17R2.5300 Brc1cccc(c1)NCc2cccc(c2)I 207a_100000210019_100000014684 [0,2,0,0,0,0|1,0,0]=3 30300 B17R2.5300 Brc1cccc(c1)NCc2cccc(c2)I 270302a_100000210019_100000014684 [0,2,0,0,0,0|1,0,0]=3 30301 B17R2.5300 Brc1cccc(c1)NCc2cccc(c2)I 34a_100000210019_100011218688 [0,2,0,0,0,0|1,0,0]=3 30302 B17R2.5300 Brc1cccc(c1)NCc2cccc(n2)Br 34a_100000210019_100009889011 [0,2,0,0,0,0|2,0,0]=4 30303 B17R2.5300 Brc1cccc(c1)NCc2ccnc(c2)Br 34a_100000210019_100010243470 [0,2,0,0,0,0|2,0,0]=4 30304 B17R2.5300 Brc1cccc(c1)OCc2cccc(c2)I 34a_100000210342_100011218688 [0,2,0,0,0,0|2,0,0]=4 30305 B17R2.5300 Brc1cccc(c1)OCc2cccc(c2)I 7a_100000210342_100011218688 [0,2,0,0,0,0|2,0,0]=4 30306 B17R2.5300 Brc1cccc(c1)SCc2cccc(c2)I 62a_100000691529_100011218688 [0,2,0,0,0,0|2,0,0]=4 30307 B17R2.5300 Brc1cccc(c1)SCc2cccc(c2)I 62a_100011218688_100000691529 [0,2,0,0,0,0|2,0,0]=4 30308 B17R2.5300 Brc1cccc(n1)CNc2cccc(c2)I 34a_100000211102_100009889011 [0,2,0,0,0,0|2,0,0]=4 30309 B17R2.5300 Brc1ccnc(c1)CNc2cccc(c2)I 34a_100000211102_100010173614 [0,2,0,0,0,0|2,0,0]=4 30310 B17R2.5300 Brc1cncc(c1)CNc2cccc(c2)Br 207a_100000210019_100000687066 [0,2,0,0,0,0|0,0,0]=2 30311 B17R2.5300 Brc1cncc(c1)CNc2cccc(c2)Br 270302a_100000210019_100000687066 [0,2,0,0,0,0|0,0,0]=2 30312 B17R2.5300 Brc1cncc(c1)CNc2cccc(c2)Br 34a_100000210019_100000738771 [0,2,0,0,0,0|0,0,0]=2 30313 B17R2.5300 Brc1cncc(c1)CNc2cccc(c2)I 207a_100000211102_100000687066 [0,2,0,0,0,0|0,0,0]=2 30314 B17R2.5300 Brc1cncc(c1)CNc2cccc(c2)I 270302a_100000211102_100000687066 [0,2,0,0,0,0|0,0,0]=2 30315 B17R2.5300 Brc1cncc(c1)CNc2cccc(c2)I 34a_100000211102_100000738771 [0,2,0,0,0,0|0,0,0]=2 30316 B17R2.5300 Brc1cncc(c1)COc2cccc(c2)Br 34a_100000210342_100000738771 [0,2,0,0,0,0|1,0,0]=3 30317 B17R2.5300 Brc1cncc(c1)COc2cccc(c2)Br 7a_100000210342_100000738771 [0,2,0,0,0,0|1,0,0]=3 30318 B17R2.5300 Brc1cncc(c1)COc2cccc(c2)I 34a_100000211634_100000738771 [0,2,0,0,0,0|1,0,0]=3 30319 B17R2.5300 Brc1cncc(c1)COc2cccc(c2)I 7a_100000211634_100000738771 [0,2,0,0,0,0|1,0,0]=3 30320 B17R2.5300 Brc1cncc(c1)COc2cncc(c2)Br 34a_100000754920_100000738771 [0,2,0,0,0,0|2,0,0]=4 30321 B17R2.5300 Brc1cncc(c1)COc2cncc(c2)Br 7a_100000754920_100000738771 [0,2,0,0,0,0|2,0,0]=4 30322 B17R2.5300 Brc1cncc(c1)CSc2cccc(c2)Br 62a_100000691529_100000738771 [0,2,0,0,0,0|1,0,0]=3 30323 B17R2.5300 Brc1cncc(c1)CSc2cccc(c2)Br 62a_100000738771_100000691529 [0,2,0,0,0,0|1,0,0]=3 30324 B17R2.5300 Brc1cncc(c1)CSc2cccc(n2)Br 62a_100000684672_100000738771 [0,2,0,0,0,0|2,0,0]=4 30325 B17R2.5300 Brc1cncc(c1)CSc2cccc(n2)Br 62a_100000738771_100000684672 [0,2,0,0,0,0|2,0,0]=4 30326 B17R2.5300 Brc1cncc(c1)CSc2ccnc(c2)Br 62a_100000738771_100009814637 [0,2,0,0,0,0|2,0,0]=4 30327 B17R2.5300 Brc1cncc(c1)CSc2ccnc(c2)Br 62a_100009814637_100000738771 [0,2,0,0,0,0|2,0,0]=4 30328 B17R2.5300 Brc1cncc(c1)CSc2cncc(c2)Br 62a_100000728054_100000738771 [0,2,0,0,0,0|2,0,0]=4 30329 B17R2.5300 Brc1cncc(c1)CSc2cncc(c2)Br 62a_100000738771_100000728054 [0,2,0,0,0,0|2,0,0]=4 30330 B17R2.5300 Brc1cncc(c1)OCc2cccc(c2)I 34a_100000754920_100011218688 [0,2,0,0,0,0|2,0,0]=4 30331 B17R2.5300 Brc1cncc(c1)OCc2cccc(c2)I 7a_100000754920_100011218688 [0,2,0,0,0,0|2,0,0]=4 30332 B17R2.5300 Brc1cncc(c1)SCc2cccc(c2)I 62a_100000728054_100011218688 [0,2,0,0,0,0|2,0,0]=4 30333 B17R2.5300 Brc1cncc(c1)SCc2cccc(c2)I 62a_100011218688_100000728054 [0,2,0,0,0,0|2,0,0]=4 30334 B17R2.5300 C[n+]1cccc(c1)SCc2cncc(c2)Br 62a_100000738771_100009996589 [0,2,0,0,0,0|2,0,0]=4 30335 B17R2.5300 C[n+]1cccc(c1)SCc2cncc(c2)Br 62a_100009996589_100000738771 [0,2,0,0,0,0|2,0,0]=4 30336 B17R2.5300 C[n+]1cccc(c1)SCc2cncc(c2)Cl 62a_100009996589_100016992070 [0,2,0,0,0,0|2,0,0]=4 30337 B17R2.5300 C[n+]1cccc(c1)SCc2cncc(c2)Cl 62a_100016992070_100009996589 [0,2,0,0,0,0|2,0,0]=4 30338 B17R2.5300 C[n+]1cccc(c1)SCc2cncc(c2)F 62a_100000725299_100009996589 [0,2,0,0,0,0|2,0,0]=4 30339 B17R2.5300 C[n+]1cccc(c1)SCc2cncc(c2)F 62a_100009996589_100000725299 [0,2,0,0,0,0|2,0,0]=4 30340 B17R2.5300 Cc1cc(ccn1)CNc2cccc(c2)Br 207a_100000210019_100011361630 [0,2,0,0,0,0|2,0,0]=4 30341 B17R2.5300 Cc1cc(ccn1)CNc2cccc(c2)Br 34a_100000210019_200020672517 [0,2,0,0,0,0|2,0,0]=4 30342 B17R2.5300 Cc1cc(ccn1)CNc2cccc(c2)Cl 207a_100000185859_100011361630 [0,2,0,0,0,0|2,0,0]=4 30343 B17R2.5300 Cc1cc(ccn1)CNc2cccc(c2)Cl 34a_100000185859_200020672517 [0,2,0,0,0,0|2,0,0]=4 30344 B17R2.5300 Cc1cc(ccn1)CNc2cccc(c2)F 207a_100000210047_100011361630 [0,2,0,0,0,0|2,0,0]=4 30345 B17R2.5300 Cc1cc(ccn1)CNc2cccc(c2)F 34a_100000210047_200020672517 [0,2,0,0,0,0|2,0,0]=4 30346 B17R2.5300 Cc1cc(ccn1)CNc2cccc(c2)I 207a_100000211102_100011361630 [0,2,0,0,0,0|2,0,0]=4 30347 B17R2.5300 Cc1cc(ccn1)CNc2cccc(c2)I 34a_100000211102_200020672517 [0,2,0,0,0,0|2,0,0]=4 30348 B17R2.5300 Cc1cc(ccn1)CNc2cccc(c2)O 34a_100000210217_200020672517 [0,2,0,0,0,0|2,0,0]=4 30349 B17R2.5300 Cc1cc(ccn1)NCc2cccc(c2)Br 27a_100000174977_100000758586 [0,2,0,0,0,0|2,0,0]=4 30350 B17R2.5300 Cc1cc(ccn1)NCc2cccc(c2)Cl 27a_100000174878_100000758586 [0,2,0,0,0,0|2,0,0]=4 30351 B17R2.5300 Cc1cc(ccn1)NCc2cccc(c2)F 27a_100000174948_100000758586 [0,2,0,0,0,0|2,0,0]=4 30352 B17R2.5300 Cc1cc(ccn1)NCc2cccc(c2)I 27a_100000106179_100000758586 [0,2,0,0,0,0|2,0,0]=4 30353 B17R2.5300 Cc1cc(ccn1)NCc2cccc(c2)O 27a_100000743036_100000758586 [0,2,0,0,0,0|2,0,0]=4 30354 B17R2.5300 Cc1cc(ccn1)NCc2cncc(c2)Br 27a_100011249555_100000758586 [0,2,0,0,0,0|1,0,0]=3 30355 B17R2.5300 Cc1cc(ccn1)NCc2cncc(c2)Cl 27a_200020614424_100000758586 [0,2,0,0,0,0|1,0,0]=3 30356 B17R2.5300 Cc1cc(ccn1)NCc2cncc(c2)F 27a_100011962886_100000758586 [0,2,0,0,0,0|1,0,0]=3 30357 B17R2.5300 Cc1cc(ccn1)OCc2cncc(c2)Br 34a_100000688365_100000738771 [0,2,0,0,0,0|2,0,0]=4 30358 B17R2.5300 Cc1cc(ccn1)OCc2cncc(c2)Cl 34a_100000688365_100016992070 [0,2,0,0,0,0|2,0,0]=4 30359 B17R2.5300 Cc1cc(ccn1)OCc2cncc(c2)F 34a_100000688365_100000725299 [0,2,0,0,0,0|2,0,0]=4 30360 B17R2.5300 Cc1cc(ccn1)SCc2cncc(c2)Br 62a_100000738771_100000758586 [0,2,0,0,0,0|2,0,0]=4 30361 B17R2.5300 Cc1cc(ccn1)SCc2cncc(c2)Br 62a_100000758586_100000738771 [0,2,0,0,0,0|2,0,0]=4 30362 B17R2.5300 Cc1cc(ccn1)SCc2cncc(c2)Cl 62a_100000758586_100016992070 [0,2,0,0,0,0|2,0,0]=4 30363 B17R2.5300 Cc1cc(ccn1)SCc2cncc(c2)Cl 62a_100016992070_100000758586 [0,2,0,0,0,0|2,0,0]=4 30364 B17R2.5300 Cc1cc(ccn1)SCc2cncc(c2)F 62a_100000725299_100000758586 [0,2,0,0,0,0|2,0,0]=4 30365 B17R2.5300 Cc1cc(ccn1)SCc2cncc(c2)F 62a_100000758586_100000725299 [0,2,0,0,0,0|2,0,0]=4 30366 B17R2.5300 Cc1cc(ncn1)NCc2cncc(c2)Br 27a_100011249555_100000744208 [0,2,0,0,0,0|2,0,0]=4 30367 B17R2.5300 Cc1cc(ncn1)NCc2cncc(c2)Cl 27a_200020614424_100000744208 [0,2,0,0,0,0|2,0,0]=4 30368 B17R2.5300 Cc1cc(ncn1)NCc2cncc(c2)F 27a_100011962886_100000744208 [0,2,0,0,0,0|2,0,0]=4 30369 B17R2.5300 Cc1cccc(c1)C=Cc2cncc(c2)Br 271570a_200135466880_100000728054 [0,2,0,0,0,0|1,0,1]=4 30370 B17R2.5300 Cc1cccc(c1)C=Cc2cncc(c2)C 271570a_200135466880_100000760492 [0,2,0,0,0,0|1,0,1]=4 30371 B17R2.5300 Cc1cccc(c1)C=Cc2cncc(c2)Cl 271570a_200135466880_100000049639 [0,2,0,0,0,0|1,0,1]=4 30372 B17R2.5300 Cc1cccc(c1)C=Cc2cncc(c2)F 271570a_200135466880_100000744099 [0,2,0,0,0,0|1,0,1]=4 30373 B17R2.5300 Cc1cccc(c1)C=Cc2cncc(c2)N 271570a_200135466880_100000687067 [0,2,0,0,0,0|1,0,1]=4 30374 B17R2.5300 Cc1cccc(c1)C=Cc2cncc(c2)O 271570a_200135466880_100000754920 [0,2,0,0,0,0|1,0,1]=4 30375 B17R2.5300 Cc1cccc(c1)CNc2cc(ccn2)F 27a_100000185548_100000764206 [0,2,0,0,0,0|2,0,0]=4 30376 B17R2.5300 Cc1cccc(c1)CNc2cc[nH]c(=O)c2 27a_100000185548_100000061649 [0,2,0,0,0,0|2,0,0]=4 30377 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)Br 207a_100000210019_100000211157 [0,2,0,0,0,0|1,0,0]=3 30378 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)Br 270302a_100000210019_100000211157 [0,2,0,0,0,0|1,0,0]=3 30379 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)Br 34a_100000210019_100000211840 [0,2,0,0,0,0|1,0,0]=3 30380 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)C 207a_100000188690_100000211157 [0,2,0,0,0,0|1,0,0]=3 30381 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)C 2230a_100000188690_100000211840 [0,2,0,0,0,0|1,0,0]=3 30382 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)C 270302a_100000188690_100000211157 [0,2,0,0,0,0|1,0,0]=3 30383 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)C 34a_100000188690_100000211840 [0,2,0,0,0,0|1,0,0]=3 30384 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)Cl 207a_100000185859_100000211157 [0,2,0,0,0,0|1,0,0]=3 30385 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)Cl 270302a_100000185859_100000211157 [0,2,0,0,0,0|1,0,0]=3 30386 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)Cl 34a_100000185859_100000211840 [0,2,0,0,0,0|1,0,0]=3 30387 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)F 207a_100000210047_100000211157 [0,2,0,0,0,0|1,0,0]=3 30388 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)F 270302a_100000210047_100000211157 [0,2,0,0,0,0|1,0,0]=3 30389 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)F 34a_100000210047_100000211840 [0,2,0,0,0,0|1,0,0]=3 30390 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)I 207a_100000211102_100000211157 [0,2,0,0,0,0|1,0,0]=3 30391 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)I 270302a_100000211102_100000211157 [0,2,0,0,0,0|1,0,0]=3 30392 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)I 34a_100000211102_100000211840 [0,2,0,0,0,0|1,0,0]=3 30393 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)O 270302a_100000210217_100000211157 [0,2,0,0,0,0|1,0,0]=3 30394 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)O 34a_100000210217_100000211840 [0,2,0,0,0,0|1,0,0]=3 30395 B17R2.5300 Cc1cccc(c1)CNc2cccc(n2)F 27a_100000185548_100009815982 [0,2,0,0,0,0|2,0,0]=4 30396 B17R2.5300 Cc1cccc(c1)CNc2ccnc(c2)C 27a_100000185548_100000758586 [0,2,0,0,0,0|2,0,0]=4 30397 B17R2.5300 Cc1cccc(c1)CNc2ccnc(c2)F 27a_100000185548_100009816116 [0,2,0,0,0,0|2,0,0]=4 30398 B17R2.5300 Cc1cccc(c1)COc2cccc(c2)Br 34a_100000210342_100000211840 [0,2,0,0,0,0|2,0,0]=4 30399 B17R2.5300 Cc1cccc(c1)COc2cccc(c2)Br 7a_100000210342_100000211840 [0,2,0,0,0,0|2,0,0]=4 30400 B17R2.5300 Cc1cccc(c1)COc2cccc(c2)C 34a_100000210337_100000211840 [0,2,0,0,0,0|2,0,0]=4 30401 B17R2.5300 Cc1cccc(c1)COc2cccc(c2)C 7a_100000210337_100000211840 [0,2,0,0,0,0|2,0,0]=4 30402 B17R2.5300 Cc1cccc(c1)COc2cccc(c2)Cl 34a_100000210295_100000211840 [0,2,0,0,0,0|2,0,0]=4 30403 B17R2.5300 Cc1cccc(c1)COc2cccc(c2)Cl 7a_100000210295_100000211840 [0,2,0,0,0,0|2,0,0]=4 30404 B17R2.5300 Cc1cccc(c1)COc2cccc(c2)F 34a_100000210426_100000211840 [0,2,0,0,0,0|2,0,0]=4 30405 B17R2.5300 Cc1cccc(c1)COc2cccc(c2)F 7a_100000210426_100000211840 [0,2,0,0,0,0|2,0,0]=4 30406 B17R2.5300 Cc1cccc(c1)COc2cccc(c2)I 34a_100000211634_100000211840 [0,2,0,0,0,0|2,0,0]=4 30407 B17R2.5300 Cc1cccc(c1)COc2cccc(c2)I 7a_100000211634_100000211840 [0,2,0,0,0,0|2,0,0]=4 30408 B17R2.5300 Cc1cccc(c1)COc2cccc(c2)N 34a_100000210217_100000211840 [0,2,0,0,0,0|2,0,0]=4 30409 B17R2.5300 Cc1cccc(c1)COc2cncc(c2)Br 34a_100000754920_100000211840 [0,2,0,0,0,0|2,0,0]=4 30410 B17R2.5300 Cc1cccc(c1)COc2cncc(c2)Br 7a_100000754920_100000211840 [0,2,0,0,0,0|2,0,0]=4 30411 B17R2.5300 Cc1cccc(c1)COc2cncc(c2)C 34a_100011830280_100000211840 [0,2,0,0,0,0|2,0,0]=4 30412 B17R2.5300 Cc1cccc(c1)COc2cncc(c2)C 7a_100011830280_100000211840 [0,2,0,0,0,0|2,0,0]=4 30413 B17R2.5300 Cc1cccc(c1)COc2cncc(c2)Cl 7a_100000032511_100000211840 [0,2,0,0,0,0|2,0,0]=4 30414 B17R2.5300 Cc1cccc(c1)COc2cncc(c2)F 34a_100011830296_100000211840 [0,2,0,0,0,0|2,0,0]=4 30415 B17R2.5300 Cc1cccc(c1)COc2cncc(c2)F 7a_100011830296_100000211840 [0,2,0,0,0,0|2,0,0]=4 30416 B17R2.5300 Cc1cccc(c1)COc2cncc(c2)N 34a_100011997051_100000211840 [0,2,0,0,0,0|2,0,0]=4 30417 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)Br 62a_100000211840_100000691529 [0,2,0,0,0,0|2,0,0]=4 30418 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)Br 62a_100000691529_100000211840 [0,2,0,0,0,0|2,0,0]=4 30419 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)C 62a_100000211840_100011215228 [0,2,0,0,0,0|2,0,0]=4 30420 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)C 62a_100011215228_100000211840 [0,2,0,0,0,0|2,0,0]=4 30421 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)Cl 62a_100000211840_100000699651 [0,2,0,0,0,0|2,0,0]=4 30422 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)Cl 62a_100000699651_100000211840 [0,2,0,0,0,0|2,0,0]=4 30423 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)F 62a_100000211840_100000685547 [0,2,0,0,0,0|2,0,0]=4 30424 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)F 62a_100000685547_100000211840 [0,2,0,0,0,0|2,0,0]=4 30425 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)N 62a_100000210019_100000211840 [0,2,0,0,0,0|2,0,0]=4 30426 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)N 62a_100000211840_100000210019 [0,2,0,0,0,0|2,0,0]=4 30427 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)O 62a_100000211840_100000211634 [0,2,0,0,0,0|2,0,0]=4 30428 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)[S] 62a_100000211840_114929384022 [0,2,0,0,0,0|2,0,0]=4 30429 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)[S] 62a_114929384022_100000211840 [0,2,0,0,0,0|2,0,0]=4 30430 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)Br 62a_100000211840_100000728054 [0,2,0,0,0,0|2,0,0]=4 30431 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)Br 62a_100000728054_100000211840 [0,2,0,0,0,0|2,0,0]=4 30432 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)C 62a_100000211840_100000760492 [0,2,0,0,0,0|2,0,0]=4 30433 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)C 62a_100000760492_100000211840 [0,2,0,0,0,0|2,0,0]=4 30434 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)Cl 62a_100000049639_100000211840 [0,2,0,0,0,0|2,0,0]=4 30435 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)Cl 62a_100000211840_100000049639 [0,2,0,0,0,0|2,0,0]=4 30436 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)F 62a_100000211840_100000744099 [0,2,0,0,0,0|2,0,0]=4 30437 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)F 62a_100000744099_100000211840 [0,2,0,0,0,0|2,0,0]=4 30438 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)N 62a_100000211840_100000687067 [0,2,0,0,0,0|2,0,0]=4 30439 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)N 62a_100000687067_100000211840 [0,2,0,0,0,0|2,0,0]=4 30440 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)O 62a_100000211840_100000754920 [0,2,0,0,0,0|2,0,0]=4 30441 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)O 62a_100000754920_100000211840 [0,2,0,0,0,0|2,0,0]=4 30442 B17R2.5300 Cc1cccc(c1)NCc2cc(ccn2)Br 2230a_100000188690_100010173614 [0,2,0,0,0,0|2,0,0]=4 30443 B17R2.5300 Cc1cccc(c1)NCc2cc(ccn2)Br 34a_100000188690_100010173614 [0,2,0,0,0,0|2,0,0]=4 30444 B17R2.5300 Cc1cccc(c1)NCc2cc(ccn2)C 207a_100000188690_100011361488 [0,2,0,0,0,0|2,0,0]=4 30445 B17R2.5300 Cc1cccc(c1)NCc2cc(ccn2)C 2230a_100000188690_100000718516 [0,2,0,0,0,0|2,0,0]=4 30446 B17R2.5300 Cc1cccc(c1)NCc2cc(ccn2)C 34a_100000188690_100000718516 [0,2,0,0,0,0|2,0,0]=4 30447 B17R2.5300 Cc1cccc(c1)NCc2cc(ccn2)Cl 2230a_100000188690_100016988179 [0,2,0,0,0,0|2,0,0]=4 30448 B17R2.5300 Cc1cccc(c1)NCc2cc(ccn2)Cl 34a_100000188690_100016988179 [0,2,0,0,0,0|2,0,0]=4 30449 B17R2.5300 Cc1cccc(c1)NCc2cccc(=O)[nH]2 207a_100000188690_100011935257 [0,2,0,0,0,0|2,0,0]=4 30450 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)Br 207a_100000188690_100000210085 [0,2,0,0,0,0|1,0,0]=3 30451 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)Br 2230a_100000188690_100000698116 [0,2,0,0,0,0|1,0,0]=3 30452 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)Br 270302a_100000188690_100000210085 [0,2,0,0,0,0|1,0,0]=3 30453 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)Br 34a_100000188690_100000698116 [0,2,0,0,0,0|1,0,0]=3 30454 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)Cl 207a_100000188690_100000210801 [0,2,0,0,0,0|1,0,0]=3 30455 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)Cl 2230a_100000188690_100000181238 [0,2,0,0,0,0|1,0,0]=3 30456 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)Cl 270302a_100000188690_100000210801 [0,2,0,0,0,0|1,0,0]=3 30457 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)Cl 34a_100000188690_100000187163 [0,2,0,0,0,0|1,0,0]=3 30458 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)F 207a_100000188690_100000210812 [0,2,0,0,0,0|1,0,0]=3 30459 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)F 2230a_100000188690_100000230114 [0,2,0,0,0,0|1,0,0]=3 30460 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)F 270302a_100000188690_100000210812 [0,2,0,0,0,0|1,0,0]=3 30461 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)F 34a_100000188690_100000187166 [0,2,0,0,0,0|1,0,0]=3 30462 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)I 207a_100000188690_100000014684 [0,2,0,0,0,0|1,0,0]=3 30463 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)I 2230a_100000188690_100011218688 [0,2,0,0,0,0|1,0,0]=3 30464 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)I 270302a_100000188690_100000014684 [0,2,0,0,0,0|1,0,0]=3 30465 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)I 34a_100000188690_100011218688 [0,2,0,0,0,0|1,0,0]=3 30466 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)O 207a_100000188690_100000188321 [0,2,0,0,0,0|1,0,0]=3 30467 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)O 2230a_100000188690_100011660834 [0,2,0,0,0,0|1,0,0]=3 30468 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)O 34a_100000188690_100011660834 [0,2,0,0,0,0|1,0,0]=3 30469 B17R2.5300 Cc1cccc(c1)NCc2cccc(n2)Br 2230a_100000188690_100009889011 [0,2,0,0,0,0|2,0,0]=4 30470 B17R2.5300 Cc1cccc(c1)NCc2cccc(n2)Br 34a_100000188690_100009889011 [0,2,0,0,0,0|2,0,0]=4 30471 B17R2.5300 Cc1cccc(c1)NCc2cccc(n2)C 207a_100000188690_100011215050 [0,2,0,0,0,0|2,0,0]=4 30472 B17R2.5300 Cc1cccc(c1)NCc2cccc(n2)C 2230a_100000188690_100000757606 [0,2,0,0,0,0|2,0,0]=4 30473 B17R2.5300 Cc1cccc(c1)NCc2cccc(n2)C 34a_100000188690_100000757606 [0,2,0,0,0,0|2,0,0]=4 30474 B17R2.5300 Cc1cccc(c1)NCc2cccc(n2)Cl 2230a_100000188690_100000086093 [0,2,0,0,0,0|2,0,0]=4 30475 B17R2.5300 Cc1cccc(c1)NCc2cccc(n2)Cl 34a_100000188690_100000086093 [0,2,0,0,0,0|2,0,0]=4 30476 B17R2.5300 Cc1cccc(c1)NCc2cccc(n2)F 2230a_100000188690_100009819644 [0,2,0,0,0,0|2,0,0]=4 30477 B17R2.5300 Cc1cccc(c1)NCc2cccc(n2)F 34a_100000188690_100009819644 [0,2,0,0,0,0|2,0,0]=4 30478 B17R2.5300 Cc1cccc(c1)NCc2ccnc(c2)Br 2230a_100000188690_100010243470 [0,2,0,0,0,0|2,0,0]=4 30479 B17R2.5300 Cc1cccc(c1)NCc2ccnc(c2)Br 34a_100000188690_100010243470 [0,2,0,0,0,0|2,0,0]=4 30480 B17R2.5300 Cc1cccc(c1)NCc2ccnc(c2)C 207a_100000188690_100011361630 [0,2,0,0,0,0|2,0,0]=4 30481 B17R2.5300 Cc1cccc(c1)NCc2ccnc(c2)C 2230a_100000188690_200020672517 [0,2,0,0,0,0|2,0,0]=4 30482 B17R2.5300 Cc1cccc(c1)NCc2ccnc(c2)C 34a_100000188690_200020672517 [0,2,0,0,0,0|2,0,0]=4 30483 B17R2.5300 Cc1cccc(c1)NCc2ccnc(c2)Cl 2230a_100000188690_100000764220 [0,2,0,0,0,0|2,0,0]=4 30484 B17R2.5300 Cc1cccc(c1)NCc2ccnc(c2)Cl 34a_100000188690_100000764220 [0,2,0,0,0,0|2,0,0]=4 30485 B17R2.5300 Cc1cccc(c1)NCc2ccnc(c2)O 207a_100000188690_100000688113 [0,2,0,0,0,0|2,0,0]=4 30486 B17R2.5300 Cc1cccc(c1)NCc2cncc(c2)Br 207a_100000188690_100000687066 [0,2,0,0,0,0|0,0,0]=2 30487 B17R2.5300 Cc1cccc(c1)NCc2cncc(c2)Br 2230a_100000188690_100000738771 [0,2,0,0,0,0|0,0,0]=2 30488 B17R2.5300 Cc1cccc(c1)NCc2cncc(c2)Br 270302a_100000188690_100000687066 [0,2,0,0,0,0|0,0,0]=2 30489 B17R2.5300 Cc1cccc(c1)NCc2cncc(c2)Br 34a_100000188690_100000738771 [0,2,0,0,0,0|0,0,0]=2 30490 B17R2.5300 Cc1cccc(c1)NCc2cncc(c2)Cl 207a_100000188690_100000088910 [0,2,0,0,0,0|0,0,0]=2 30491 B17R2.5300 Cc1cccc(c1)NCc2cncc(c2)Cl 2230a_100000188690_100016992070 [0,2,0,0,0,0|0,0,0]=2 30492 B17R2.5300 Cc1cccc(c1)NCc2cncc(c2)Cl 270302a_100000188690_100000088910 [0,2,0,0,0,0|0,0,0]=2 30493 B17R2.5300 Cc1cccc(c1)NCc2cncc(c2)Cl 34a_100000188690_100016992070 [0,2,0,0,0,0|0,0,0]=2 30494 B17R2.5300 Cc1cccc(c1)NCc2cncc(c2)F 207a_100000188690_100011361476 [0,2,0,0,0,0|0,0,0]=2 30495 B17R2.5300 Cc1cccc(c1)NCc2cncc(c2)F 2230a_100000188690_100000725299 [0,2,0,0,0,0|0,0,0]=2 30496 B17R2.5300 Cc1cccc(c1)NCc2cncc(c2)F 270302a_100000188690_100011361476 [0,2,0,0,0,0|0,0,0]=2 30497 B17R2.5300 Cc1cccc(c1)NCc2cncc(c2)F 34a_100000188690_100000725299 [0,2,0,0,0,0|0,0,0]=2 30498 B17R2.5300 Cc1cccc(c1)NCc2cncc(c2)O 207a_100000188690_100012187055 [0,2,0,0,0,0|0,0,0]=2 30499 B17R2.5300 Cc1cccc(c1)NCc2cncc(n2)C 207a_100000188690_100000100294 [0,2,0,0,0,0|1,0,0]=3 30500 B17R2.5300 Cc1cccc(c1)OCc2cccc(c2)Br 34a_100000210337_100000698116 [0,2,0,0,0,0|2,0,0]=4 30501 B17R2.5300 Cc1cccc(c1)OCc2cccc(c2)Br 7a_100000210337_100000211773 [0,2,0,0,0,0|2,0,0]=4 30502 B17R2.5300 Cc1cccc(c1)OCc2cccc(c2)Cl 34a_100000210337_100000187163 [0,2,0,0,0,0|2,0,0]=4 30503 B17R2.5300 Cc1cccc(c1)OCc2cccc(c2)Cl 7a_100000210337_100000187163 [0,2,0,0,0,0|2,0,0]=4 30504 B17R2.5300 Cc1cccc(c1)OCc2cccc(c2)F 34a_100000210337_100000187166 [0,2,0,0,0,0|2,0,0]=4 30505 B17R2.5300 Cc1cccc(c1)OCc2cccc(c2)F 7a_100000210337_100000230114 [0,2,0,0,0,0|2,0,0]=4 30506 B17R2.5300 Cc1cccc(c1)OCc2cccc(c2)I 34a_100000210337_100011218688 [0,2,0,0,0,0|2,0,0]=4 30507 B17R2.5300 Cc1cccc(c1)OCc2cccc(c2)I 7a_100000210337_100011218688 [0,2,0,0,0,0|2,0,0]=4 30508 B17R2.5300 Cc1cccc(c1)OCc2cccc(c2)O 34a_100000210337_100011660834 [0,2,0,0,0,0|2,0,0]=4 30509 B17R2.5300 Cc1cccc(c1)OCc2cccc(c2)O 7a_100000210337_100000084143 [0,2,0,0,0,0|2,0,0]=4 30510 B17R2.5300 Cc1cccc(c1)OCc2cncc(c2)Br 34a_100000210337_100000738771 [0,2,0,0,0,0|1,0,0]=3 30511 B17R2.5300 Cc1cccc(c1)OCc2cncc(c2)Br 7a_100000210337_100000738771 [0,2,0,0,0,0|1,0,0]=3 30512 B17R2.5300 Cc1cccc(c1)OCc2cncc(c2)Cl 34a_100000210337_100016992070 [0,2,0,0,0,0|1,0,0]=3 30513 B17R2.5300 Cc1cccc(c1)OCc2cncc(c2)Cl 7a_100000210337_100016992070 [0,2,0,0,0,0|1,0,0]=3 30514 B17R2.5300 Cc1cccc(c1)OCc2cncc(c2)F 34a_100000210337_100000725299 [0,2,0,0,0,0|1,0,0]=3 30515 B17R2.5300 Cc1cccc(c1)OCc2cncc(c2)F 7a_100000210337_100000725299 [0,2,0,0,0,0|1,0,0]=3 30516 B17R2.5300 Cc1cccc(c1)SCc2cccc(c2)Br 62a_100000211773_100011215228 [0,2,0,0,0,0|2,0,0]=4 30517 B17R2.5300 Cc1cccc(c1)SCc2cccc(c2)Br 62a_100011215228_100000211773 [0,2,0,0,0,0|2,0,0]=4 30518 B17R2.5300 Cc1cccc(c1)SCc2cccc(c2)Cl 62a_100000187163_100011215228 [0,2,0,0,0,0|2,0,0]=4 30519 B17R2.5300 Cc1cccc(c1)SCc2cccc(c2)Cl 62a_100011215228_100000187163 [0,2,0,0,0,0|2,0,0]=4 30520 B17R2.5300 Cc1cccc(c1)SCc2cccc(c2)F 62a_100000230114_100011215228 [0,2,0,0,0,0|2,0,0]=4 30521 B17R2.5300 Cc1cccc(c1)SCc2cccc(c2)F 62a_100011215228_100000230114 [0,2,0,0,0,0|2,0,0]=4 30522 B17R2.5300 Cc1cccc(c1)SCc2cccc(c2)I 62a_100011215228_100011218688 [0,2,0,0,0,0|2,0,0]=4 30523 B17R2.5300 Cc1cccc(c1)SCc2cccc(c2)I 62a_100011218688_100011215228 [0,2,0,0,0,0|2,0,0]=4 30524 B17R2.5300 Cc1cccc(c1)SCc2cccc(c2)O 62a_100011215228_100011660834 [0,2,0,0,0,0|2,0,0]=4 30525 B17R2.5300 Cc1cccc(c1)SCc2cccc(c2)O 62a_100011660834_100011215228 [0,2,0,0,0,0|2,0,0]=4 30526 B17R2.5300 Cc1cccc(c1)SCc2cncc(c2)Br 62a_100000738771_100011215228 [0,2,0,0,0,0|1,0,0]=3 30527 B17R2.5300 Cc1cccc(c1)SCc2cncc(c2)Br 62a_100011215228_100000738771 [0,2,0,0,0,0|1,0,0]=3 30528 B17R2.5300 Cc1cccc(c1)SCc2cncc(c2)Cl 62a_100011215228_100016992070 [0,2,0,0,0,0|1,0,0]=3 30529 B17R2.5300 Cc1cccc(c1)SCc2cncc(c2)Cl 62a_100016992070_100011215228 [0,2,0,0,0,0|1,0,0]=3 30530 B17R2.5300 Cc1cccc(c1)SCc2cncc(c2)F 62a_100000725299_100011215228 [0,2,0,0,0,0|1,0,0]=3 30531 B17R2.5300 Cc1cccc(c1)SCc2cncc(c2)F 62a_100011215228_100000725299 [0,2,0,0,0,0|1,0,0]=3 30532 B17R2.5300 Cc1cccc(n1)CNc2cccc(c2)Br 207a_100000210019_100011215050 [0,2,0,0,0,0|2,0,0]=4 30533 B17R2.5300 Cc1cccc(n1)CNc2cccc(c2)Br 34a_100000210019_100000757606 [0,2,0,0,0,0|2,0,0]=4 30534 B17R2.5300 Cc1cccc(n1)CNc2cccc(c2)Cl 207a_100000185859_100011215050 [0,2,0,0,0,0|2,0,0]=4 30535 B17R2.5300 Cc1cccc(n1)CNc2cccc(c2)Cl 34a_100000185859_100000757606 [0,2,0,0,0,0|2,0,0]=4 30536 B17R2.5300 Cc1cccc(n1)CNc2cccc(c2)F 207a_100000210047_100011215050 [0,2,0,0,0,0|2,0,0]=4 30537 B17R2.5300 Cc1cccc(n1)CNc2cccc(c2)F 34a_100000210047_100000757606 [0,2,0,0,0,0|2,0,0]=4 30538 B17R2.5300 Cc1cccc(n1)CNc2cccc(c2)I 207a_100000211102_100011215050 [0,2,0,0,0,0|2,0,0]=4 30539 B17R2.5300 Cc1cccc(n1)CNc2cccc(c2)I 34a_100000211102_100000757606 [0,2,0,0,0,0|2,0,0]=4 30540 B17R2.5300 Cc1cccc(n1)CNc2cccc(c2)O 34a_100000210217_100000757606 [0,2,0,0,0,0|2,0,0]=4 30541 B17R2.5300 Cc1cccc(n1)SCc2cncc(c2)Br 62a_100000738771_100000742759 [0,2,0,0,0,0|2,0,0]=4 30542 B17R2.5300 Cc1cccc(n1)SCc2cncc(c2)Br 62a_100000742759_100000738771 [0,2,0,0,0,0|2,0,0]=4 30543 B17R2.5300 Cc1cccc(n1)SCc2cncc(c2)Cl 62a_100000742759_100016992070 [0,2,0,0,0,0|2,0,0]=4 30544 B17R2.5300 Cc1cccc(n1)SCc2cncc(c2)Cl 62a_100016992070_100000742759 [0,2,0,0,0,0|2,0,0]=4 30545 B17R2.5300 Cc1cccc(n1)SCc2cncc(c2)F 62a_100000725299_100000742759 [0,2,0,0,0,0|2,0,0]=4 30546 B17R2.5300 Cc1cccc(n1)SCc2cncc(c2)F 62a_100000742759_100000725299 [0,2,0,0,0,0|2,0,0]=4 30547 B17R2.5300 Cc1ccnc(c1)CNc2cccc(c2)Br 207a_100000210019_100011361488 [0,2,0,0,0,0|2,0,0]=4 30548 B17R2.5300 Cc1ccnc(c1)CNc2cccc(c2)Br 34a_100000210019_100000718516 [0,2,0,0,0,0|2,0,0]=4 30549 B17R2.5300 Cc1ccnc(c1)CNc2cccc(c2)Cl 207a_100000185859_100011361488 [0,2,0,0,0,0|2,0,0]=4 30550 B17R2.5300 Cc1ccnc(c1)CNc2cccc(c2)Cl 34a_100000185859_100000718516 [0,2,0,0,0,0|2,0,0]=4 30551 B17R2.5300 Cc1ccnc(c1)CNc2cccc(c2)F 207a_100000210047_100011361488 [0,2,0,0,0,0|2,0,0]=4 30552 B17R2.5300 Cc1ccnc(c1)CNc2cccc(c2)F 34a_100000210047_100000718516 [0,2,0,0,0,0|2,0,0]=4 30553 B17R2.5300 Cc1ccnc(c1)CNc2cccc(c2)I 207a_100000211102_100011361488 [0,2,0,0,0,0|2,0,0]=4 30554 B17R2.5300 Cc1ccnc(c1)CNc2cccc(c2)I 34a_100000211102_100000718516 [0,2,0,0,0,0|2,0,0]=4 30555 B17R2.5300 Cc1ccnc(c1)CNc2cccc(c2)O 34a_100000210217_100000718516 [0,2,0,0,0,0|2,0,0]=4 30556 B17R2.5300 Cc1ccnc(c1)SCc2cncc(c2)Br 62a_100000738771_100000750283 [0,2,0,0,0,0|2,0,0]=4 30557 B17R2.5300 Cc1ccnc(c1)SCc2cncc(c2)Br 62a_100000750283_100000738771 [0,2,0,0,0,0|2,0,0]=4 30558 B17R2.5300 Cc1ccnc(c1)SCc2cncc(c2)Cl 62a_100000750283_100016992070 [0,2,0,0,0,0|2,0,0]=4 30559 B17R2.5300 Cc1ccnc(c1)SCc2cncc(c2)Cl 62a_100016992070_100000750283 [0,2,0,0,0,0|2,0,0]=4 30560 B17R2.5300 Cc1ccnc(c1)SCc2cncc(c2)F 62a_100000725299_100000750283 [0,2,0,0,0,0|2,0,0]=4 30561 B17R2.5300 Cc1ccnc(c1)SCc2cncc(c2)F 62a_100000750283_100000725299 [0,2,0,0,0,0|2,0,0]=4 30562 B17R2.5300 Cc1ccnc(n1)NCc2cncc(c2)Br 27a_100011249555_100000750684 [0,2,0,0,0,0|2,0,0]=4 30563 B17R2.5300 Cc1ccnc(n1)NCc2cncc(c2)Cl 27a_200020614424_100000750684 [0,2,0,0,0,0|2,0,0]=4 30564 B17R2.5300 Cc1ccnc(n1)NCc2cncc(c2)F 27a_100011962886_100000750684 [0,2,0,0,0,0|2,0,0]=4 30565 B17R2.5300 Cc1cncc(c1)C=Cc2cccc(c2)Cl 271570a_100102525933_100000760492 [0,2,0,0,0,0|1,0,1]=4 30566 B17R2.5300 Cc1cncc(c1)C=Cc2cccc(c2)F 271570a_100102525537_100000760492 [0,2,0,0,0,0|1,0,1]=4 30567 B17R2.5300 Cc1cncc(c1)CNc2c[n+](ccn2)[O-] 27a_100000692839_100009880115 [0,2,0,0,0,0|2,0,0]=4 30568 B17R2.5300 Cc1cncc(c1)CNc2cc(ccn2)F 27a_100000692839_100000764206 [0,2,0,0,0,0|1,0,0]=3 30569 B17R2.5300 Cc1cncc(c1)CNc2cc(cnn2)C 27a_100000692839_100000070100 [0,2,0,0,0,0|2,0,0]=4 30570 B17R2.5300 Cc1cncc(c1)CNc2cc(ncn2)C 27a_100000692839_100000744208 [0,2,0,0,0,0|2,0,0]=4 30571 B17R2.5300 Cc1cncc(c1)CNc2cc(ncn2)F 27a_100000692839_200009880791 [0,2,0,0,0,0|2,0,0]=4 30572 B17R2.5300 Cc1cncc(c1)CNc2cc(ncn2)N 27a_100000692839_100000701291 [0,2,0,0,0,0|2,0,0]=4 30573 B17R2.5300 Cc1cncc(c1)CNc2cc(ncn2)O 27a_100000692839_100000765262 [0,2,0,0,0,0|2,0,0]=4 30574 B17R2.5300 Cc1cncc(c1)CNc2cc[nH]c(=O)c2 27a_100000692839_100000061649 [0,2,0,0,0,0|1,0,0]=3 30575 B17R2.5300 Cc1cncc(c1)CNc2cc[nH]c(=O)n2 27a_100000692839_200000134032 [0,2,0,0,0,0|2,0,0]=4 30576 B17R2.5300 Cc1cncc(c1)CNc2cccc(c2)Br 207a_100000210019_100011998712 [0,2,0,0,0,0|0,0,0]=2 30577 B17R2.5300 Cc1cncc(c1)CNc2cccc(c2)Br 270302a_100000210019_100011998712 [0,2,0,0,0,0|0,0,0]=2 30578 B17R2.5300 Cc1cncc(c1)CNc2cccc(c2)Br 34a_100000210019_100000716715 [0,2,0,0,0,0|0,0,0]=2 30579 B17R2.5300 Cc1cncc(c1)CNc2cccc(c2)C 207a_100000188690_100011998712 [0,2,0,0,0,0|0,0,0]=2 30580 B17R2.5300 Cc1cncc(c1)CNc2cccc(c2)C 2230a_100000188690_100000716715 [0,2,0,0,0,0|0,0,0]=2 30581 B17R2.5300 Cc1cncc(c1)CNc2cccc(c2)C 270302a_100000188690_100011998712 [0,2,0,0,0,0|0,0,0]=2 30582 B17R2.5300 Cc1cncc(c1)CNc2cccc(c2)C 34a_100000188690_100000716715 [0,2,0,0,0,0|0,0,0]=2 30583 B17R2.5300 Cc1cncc(c1)CNc2cccc(c2)Cl 207a_100000185859_100011998712 [0,2,0,0,0,0|0,0,0]=2 30584 B17R2.5300 Cc1cncc(c1)CNc2cccc(c2)Cl 270302a_100000185859_100011998712 [0,2,0,0,0,0|0,0,0]=2 30585 B17R2.5300 Cc1cncc(c1)CNc2cccc(c2)Cl 34a_100000185859_100000716715 [0,2,0,0,0,0|0,0,0]=2 30586 B17R2.5300 Cc1cncc(c1)CNc2cccc(c2)F 207a_100000210047_100011998712 [0,2,0,0,0,0|0,0,0]=2 30587 B17R2.5300 Cc1cncc(c1)CNc2cccc(c2)F 270302a_100000210047_100011998712 [0,2,0,0,0,0|0,0,0]=2 30588 B17R2.5300 Cc1cncc(c1)CNc2cccc(c2)F 34a_100000210047_100000716715 [0,2,0,0,0,0|0,0,0]=2 30589 B17R2.5300 Cc1cncc(c1)CNc2cccc(c2)I 207a_100000211102_100011998712 [0,2,0,0,0,0|0,0,0]=2 30590 B17R2.5300 Cc1cncc(c1)CNc2cccc(c2)I 270302a_100000211102_100011998712 [0,2,0,0,0,0|0,0,0]=2 30591 B17R2.5300 Cc1cncc(c1)CNc2cccc(c2)I 34a_100000211102_100000716715 [0,2,0,0,0,0|0,0,0]=2 30592 B17R2.5300 Cc1cncc(c1)CNc2cccc(c2)O 270302a_100000210217_100011998712 [0,2,0,0,0,0|0,0,0]=2 30593 B17R2.5300 Cc1cncc(c1)CNc2cccc(c2)O 34a_100000210217_100000716715 [0,2,0,0,0,0|0,0,0]=2 30594 B17R2.5300 Cc1cncc(c1)CNc2cccc(n2)F 27a_100000692839_100009815982 [0,2,0,0,0,0|1,0,0]=3 30595 B17R2.5300 Cc1cncc(c1)CNc2ccnc(c2)C 27a_100000692839_100000758586 [0,2,0,0,0,0|1,0,0]=3 30596 B17R2.5300 Cc1cncc(c1)CNc2ccnc(c2)F 27a_100000692839_100009816116 [0,2,0,0,0,0|1,0,0]=3 30597 B17R2.5300 Cc1cncc(c1)CNc2ccnc(n2)C 27a_100000692839_100000749937 [0,2,0,0,0,0|2,0,0]=4 30598 B17R2.5300 Cc1cncc(c1)CNc2ccnc(n2)N 27a_100000692839_100000055538 [0,2,0,0,0,0|2,0,0]=4 30599 B17R2.5300 Cc1cncc(c1)CNc2cncc(n2)C 27a_100000692839_100000754123 [0,2,0,0,0,0|2,0,0]=4 30600 B17R2.5300 Cc1cncc(c1)CNc2cncc(n2)Cl 27a_100000692839_100010892449 [0,2,0,0,0,0|2,0,0]=4 30601 B17R2.5300 Cc1cncc(c1)CNc2cncc(n2)F 27a_100000692839_200009863489 [0,2,0,0,0,0|2,0,0]=4 30602 B17R2.5300 Cc1cncc(c1)CNc2nccc(n2)C 27a_100000692839_100000750684 [0,2,0,0,0,0|2,0,0]=4 30603 B17R2.5300 Cc1cncc(c1)CNc2nccc(n2)N 27a_100000692839_100000757536 [0,2,0,0,0,0|2,0,0]=4 30604 B17R2.5300 Cc1cncc(c1)CNc2nccc(n2)O 27a_100000692839_100011649813 [0,2,0,0,0,0|2,0,0]=4 30605 B17R2.5300 Cc1cncc(c1)COc2cc[nH]c(=O)c2 34a_100000032262_100000716715 [0,2,0,0,0,0|2,0,0]=4 30606 B17R2.5300 Cc1cncc(c1)COc2ccc[n+](c2)[O-] 34a_100000039713_100000716715 [0,2,0,0,0,0|2,0,0]=4 30607 B17R2.5300 Cc1cncc(c1)COc2ccc[n+](c2)[O-] 7a_100000039713_100000716715 [0,2,0,0,0,0|2,0,0]=4 30608 B17R2.5300 Cc1cncc(c1)COc2cccc(=O)[nH]2 34a_100000033347_100000716715 [0,2,0,0,0,0|2,0,0]=4 30609 B17R2.5300 Cc1cncc(c1)COc2cccc(c2)Br 34a_100000210342_100000716715 [0,2,0,0,0,0|1,0,0]=3 30610 B17R2.5300 Cc1cncc(c1)COc2cccc(c2)Br 7a_100000210342_100000716715 [0,2,0,0,0,0|1,0,0]=3 30611 B17R2.5300 Cc1cncc(c1)COc2cccc(c2)C 34a_100000210337_100000716715 [0,2,0,0,0,0|1,0,0]=3 30612 B17R2.5300 Cc1cncc(c1)COc2cccc(c2)C 7a_100000210337_100000716715 [0,2,0,0,0,0|1,0,0]=3 30613 B17R2.5300 Cc1cncc(c1)COc2cccc(c2)Cl 34a_100000210295_100000716715 [0,2,0,0,0,0|1,0,0]=3 30614 B17R2.5300 Cc1cncc(c1)COc2cccc(c2)Cl 7a_100000210295_100000716715 [0,2,0,0,0,0|1,0,0]=3 30615 B17R2.5300 Cc1cncc(c1)COc2cccc(c2)F 34a_100000210426_100000716715 [0,2,0,0,0,0|1,0,0]=3 30616 B17R2.5300 Cc1cncc(c1)COc2cccc(c2)F 7a_100000210426_100000716715 [0,2,0,0,0,0|1,0,0]=3 30617 B17R2.5300 Cc1cncc(c1)COc2cccc(c2)I 34a_100000211634_100000716715 [0,2,0,0,0,0|1,0,0]=3 30618 B17R2.5300 Cc1cncc(c1)COc2cccc(c2)I 7a_100000211634_100000716715 [0,2,0,0,0,0|1,0,0]=3 30619 B17R2.5300 Cc1cncc(c1)COc2cccc(c2)N 34a_100000210217_100000716715 [0,2,0,0,0,0|1,0,0]=3 30620 B17R2.5300 Cc1cncc(c1)COc2cccc(n2)F 34a_100011432558_100000716715 [0,2,0,0,0,0|2,0,0]=4 30621 B17R2.5300 Cc1cncc(c1)COc2ccnc(c2)C 34a_100000688365_100000716715 [0,2,0,0,0,0|2,0,0]=4 30622 B17R2.5300 Cc1cncc(c1)COc2ccnc(c2)Cl 34a_100000762945_100000716715 [0,2,0,0,0,0|2,0,0]=4 30623 B17R2.5300 Cc1cncc(c1)COc2ccnc(c2)F 34a_100000732698_100000716715 [0,2,0,0,0,0|2,0,0]=4 30624 B17R2.5300 Cc1cncc(c1)COc2ccnc(c2)N 34a_100011834064_100000716715 [0,2,0,0,0,0|2,0,0]=4 30625 B17R2.5300 Cc1cncc(c1)COc2cncc(c2)Br 34a_100000754920_100000716715 [0,2,0,0,0,0|2,0,0]=4 30626 B17R2.5300 Cc1cncc(c1)COc2cncc(c2)Br 7a_100000754920_100000716715 [0,2,0,0,0,0|2,0,0]=4 30627 B17R2.5300 Cc1cncc(c1)COc2cncc(c2)C 34a_100011830280_100000716715 [0,2,0,0,0,0|2,0,0]=4 30628 B17R2.5300 Cc1cncc(c1)COc2cncc(c2)C 7a_100011830280_100000716715 [0,2,0,0,0,0|2,0,0]=4 30629 B17R2.5300 Cc1cncc(c1)COc2cncc(c2)Cl 7a_100000032511_100000716715 [0,2,0,0,0,0|2,0,0]=4 30630 B17R2.5300 Cc1cncc(c1)COc2cncc(c2)F 34a_100011830296_100000716715 [0,2,0,0,0,0|2,0,0]=4 30631 B17R2.5300 Cc1cncc(c1)COc2cncc(c2)F 7a_100011830296_100000716715 [0,2,0,0,0,0|2,0,0]=4 30632 B17R2.5300 Cc1cncc(c1)COc2cncc(c2)N 34a_100011997051_100000716715 [0,2,0,0,0,0|2,0,0]=4 30633 B17R2.5300 Cc1cncc(c1)CSc2cc(=O)cc[nH]2 62a_100009817434_100000716715 [0,2,0,0,0,0|2,0,0]=4 30634 B17R2.5300 Cc1cncc(c1)CSc2cc(ccn2)C 62a_100000716715_100000750283 [0,2,0,0,0,0|2,0,0]=4 30635 B17R2.5300 Cc1cncc(c1)CSc2cc(ccn2)C 62a_100000750283_100000716715 [0,2,0,0,0,0|2,0,0]=4 30636 B17R2.5300 Cc1cncc(c1)CSc2cc(ccn2)Cl 62a_100000716715_100010167805 [0,2,0,0,0,0|2,0,0]=4 30637 B17R2.5300 Cc1cncc(c1)CSc2cc(ccn2)Cl 62a_100010167805_100000716715 [0,2,0,0,0,0|2,0,0]=4 30638 B17R2.5300 Cc1cncc(c1)CSc2cc(ccn2)F 62a_100000716715_100000764206 [0,2,0,0,0,0|2,0,0]=4 30639 B17R2.5300 Cc1cncc(c1)CSc2cc(ccn2)F 62a_100000764206_100000716715 [0,2,0,0,0,0|2,0,0]=4 30640 B17R2.5300 Cc1cncc(c1)CSc2cc(ccn2)N 62a_100000716715_100009814236 [0,2,0,0,0,0|2,0,0]=4 30641 B17R2.5300 Cc1cncc(c1)CSc2cc(ccn2)N 62a_100009814236_100000716715 [0,2,0,0,0,0|2,0,0]=4 30642 B17R2.5300 Cc1cncc(c1)CSc2cc(ccn2)O 62a_100000716715_100000762945 [0,2,0,0,0,0|2,0,0]=4 30643 B17R2.5300 Cc1cncc(c1)CSc2cc[nH]c(=O)c2 62a_100000716715_100009816521 [0,2,0,0,0,0|2,0,0]=4 30644 B17R2.5300 Cc1cncc(c1)CSc2cc[nH]c(=O)c2 62a_100009816521_100000716715 [0,2,0,0,0,0|2,0,0]=4 30645 B17R2.5300 Cc1cncc(c1)CSc2ccc[n+](c2)C 62a_100000716715_100009996589 [0,2,0,0,0,0|2,0,0]=4 30646 B17R2.5300 Cc1cncc(c1)CSc2ccc[n+](c2)C 62a_100009996589_100000716715 [0,2,0,0,0,0|2,0,0]=4 30647 B17R2.5300 Cc1cncc(c1)CSc2ccc[n+](c2)[O-] 62a_100000716715_100009815978 [0,2,0,0,0,0|2,0,0]=4 30648 B17R2.5300 Cc1cncc(c1)CSc2cccc(=O)[nH]2 62a_100000716715_100000752884 [0,2,0,0,0,0|2,0,0]=4 30649 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)Br 62a_100000691529_100000716715 [0,2,0,0,0,0|1,0,0]=3 30650 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)Br 62a_100000716715_100000691529 [0,2,0,0,0,0|1,0,0]=3 30651 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)C 62a_100000716715_100011215228 [0,2,0,0,0,0|1,0,0]=3 30652 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)C 62a_100011215228_100000716715 [0,2,0,0,0,0|1,0,0]=3 30653 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)Cl 62a_100000699651_100000716715 [0,2,0,0,0,0|1,0,0]=3 30654 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)Cl 62a_100000716715_100000699651 [0,2,0,0,0,0|1,0,0]=3 30655 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)F 62a_100000685547_100000716715 [0,2,0,0,0,0|1,0,0]=3 30656 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)F 62a_100000716715_100000685547 [0,2,0,0,0,0|1,0,0]=3 30657 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)N 62a_100000210019_100000716715 [0,2,0,0,0,0|1,0,0]=3 30658 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)N 62a_100000716715_100000210019 [0,2,0,0,0,0|1,0,0]=3 30659 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)O 62a_100000716715_100000211634 [0,2,0,0,0,0|1,0,0]=3 30660 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)[S] 62a_100000716715_114929384022 [0,2,0,0,0,0|1,0,0]=3 30661 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)[S] 62a_114929384022_100000716715 [0,2,0,0,0,0|1,0,0]=3 30662 B17R2.5300 Cc1cncc(c1)CSc2cccc(n2)Br 62a_100000684672_100000716715 [0,2,0,0,0,0|2,0,0]=4 30663 B17R2.5300 Cc1cncc(c1)CSc2cccc(n2)Br 62a_100000716715_100000684672 [0,2,0,0,0,0|2,0,0]=4 30664 B17R2.5300 Cc1cncc(c1)CSc2cccc(n2)C 62a_100000716715_100000742759 [0,2,0,0,0,0|2,0,0]=4 30665 B17R2.5300 Cc1cncc(c1)CSc2cccc(n2)C 62a_100000742759_100000716715 [0,2,0,0,0,0|2,0,0]=4 30666 B17R2.5300 Cc1cncc(c1)CSc2cccc(n2)Cl 62a_100000051397_100000716715 [0,2,0,0,0,0|2,0,0]=4 30667 B17R2.5300 Cc1cncc(c1)CSc2cccc(n2)Cl 62a_100000716715_100000051397 [0,2,0,0,0,0|2,0,0]=4 30668 B17R2.5300 Cc1cncc(c1)CSc2cccc(n2)F 62a_100000716715_100009815982 [0,2,0,0,0,0|2,0,0]=4 30669 B17R2.5300 Cc1cncc(c1)CSc2cccc(n2)F 62a_100009815982_100000716715 [0,2,0,0,0,0|2,0,0]=4 30670 B17R2.5300 Cc1cncc(c1)CSc2cccc(n2)N 62a_100000716715_100000740741 [0,2,0,0,0,0|2,0,0]=4 30671 B17R2.5300 Cc1cncc(c1)CSc2cccc(n2)N 62a_100000740741_100000716715 [0,2,0,0,0,0|2,0,0]=4 30672 B17R2.5300 Cc1cncc(c1)CSc2ccnc(c2)Br 62a_100000716715_100009814637 [0,2,0,0,0,0|2,0,0]=4 30673 B17R2.5300 Cc1cncc(c1)CSc2ccnc(c2)Br 62a_100009814637_100000716715 [0,2,0,0,0,0|2,0,0]=4 30674 B17R2.5300 Cc1cncc(c1)CSc2ccnc(c2)C 62a_100000716715_100000758586 [0,2,0,0,0,0|2,0,0]=4 30675 B17R2.5300 Cc1cncc(c1)CSc2ccnc(c2)C 62a_100000758586_100000716715 [0,2,0,0,0,0|2,0,0]=4 30676 B17R2.5300 Cc1cncc(c1)CSc2ccnc(c2)Cl 62a_100000035001_100000716715 [0,2,0,0,0,0|2,0,0]=4 30677 B17R2.5300 Cc1cncc(c1)CSc2ccnc(c2)Cl 62a_100000716715_100000035001 [0,2,0,0,0,0|2,0,0]=4 30678 B17R2.5300 Cc1cncc(c1)CSc2ccnc(c2)F 62a_100000716715_100009816116 [0,2,0,0,0,0|2,0,0]=4 30679 B17R2.5300 Cc1cncc(c1)CSc2ccnc(c2)F 62a_100009816116_100000716715 [0,2,0,0,0,0|2,0,0]=4 30680 B17R2.5300 Cc1cncc(c1)CSc2ccnc(c2)N 62a_100000049665_100000716715 [0,2,0,0,0,0|2,0,0]=4 30681 B17R2.5300 Cc1cncc(c1)CSc2ccnc(c2)N 62a_100000716715_100000049665 [0,2,0,0,0,0|2,0,0]=4 30682 B17R2.5300 Cc1cncc(c1)CSc2cncc(c2)Br 62a_100000716715_100000728054 [0,2,0,0,0,0|2,0,0]=4 30683 B17R2.5300 Cc1cncc(c1)CSc2cncc(c2)Br 62a_100000728054_100000716715 [0,2,0,0,0,0|2,0,0]=4 30684 B17R2.5300 Cc1cncc(c1)CSc2cncc(c2)C 62a_100000716715_100000760492 [0,2,0,0,0,0|2,0,0]=4 30685 B17R2.5300 Cc1cncc(c1)CSc2cncc(c2)C 62a_100000760492_100000716715 [0,2,0,0,0,0|2,0,0]=4 30686 B17R2.5300 Cc1cncc(c1)CSc2cncc(c2)Cl 62a_100000049639_100000716715 [0,2,0,0,0,0|2,0,0]=4 30687 B17R2.5300 Cc1cncc(c1)CSc2cncc(c2)Cl 62a_100000716715_100000049639 [0,2,0,0,0,0|2,0,0]=4 30688 B17R2.5300 Cc1cncc(c1)CSc2cncc(c2)F 62a_100000716715_100000744099 [0,2,0,0,0,0|2,0,0]=4 30689 B17R2.5300 Cc1cncc(c1)CSc2cncc(c2)F 62a_100000744099_100000716715 [0,2,0,0,0,0|2,0,0]=4 30690 B17R2.5300 Cc1cncc(c1)CSc2cncc(c2)N 62a_100000687067_100000716715 [0,2,0,0,0,0|2,0,0]=4 30691 B17R2.5300 Cc1cncc(c1)CSc2cncc(c2)N 62a_100000716715_100000687067 [0,2,0,0,0,0|2,0,0]=4 30692 B17R2.5300 Cc1cncc(c1)CSc2cncc(c2)O 62a_100000716715_100000754920 [0,2,0,0,0,0|2,0,0]=4 30693 B17R2.5300 Cc1cncc(c1)CSc2cncc(c2)O 62a_100000754920_100000716715 [0,2,0,0,0,0|2,0,0]=4 30694 B17R2.5300 Cc1cncc(c1)OCc2cccc(c2)Br 34a_100011830280_100000698116 [0,2,0,0,0,0|2,0,0]=4 30695 B17R2.5300 Cc1cncc(c1)OCc2cccc(c2)Br 7a_100011830280_100000211773 [0,2,0,0,0,0|2,0,0]=4 30696 B17R2.5300 Cc1cncc(c1)OCc2cccc(c2)Cl 34a_100011830280_100000187163 [0,2,0,0,0,0|2,0,0]=4 30697 B17R2.5300 Cc1cncc(c1)OCc2cccc(c2)Cl 7a_100011830280_100000187163 [0,2,0,0,0,0|2,0,0]=4 30698 B17R2.5300 Cc1cncc(c1)OCc2cccc(c2)F 34a_100011830280_100000187166 [0,2,0,0,0,0|2,0,0]=4 30699 B17R2.5300 Cc1cncc(c1)OCc2cccc(c2)F 7a_100011830280_100000230114 [0,2,0,0,0,0|2,0,0]=4 30700 B17R2.5300 Cc1cncc(c1)OCc2cccc(c2)I 34a_100011830280_100011218688 [0,2,0,0,0,0|2,0,0]=4 30701 B17R2.5300 Cc1cncc(c1)OCc2cccc(c2)I 7a_100011830280_100011218688 [0,2,0,0,0,0|2,0,0]=4 30702 B17R2.5300 Cc1cncc(c1)OCc2cccc(c2)O 34a_100011830280_100011660834 [0,2,0,0,0,0|2,0,0]=4 30703 B17R2.5300 Cc1cncc(c1)OCc2cccc(c2)O 7a_100011830280_100000084143 [0,2,0,0,0,0|2,0,0]=4 30704 B17R2.5300 Cc1cncc(c1)OCc2cncc(c2)Br 34a_100011830280_100000738771 [0,2,0,0,0,0|2,0,0]=4 30705 B17R2.5300 Cc1cncc(c1)OCc2cncc(c2)Br 7a_100011830280_100000738771 [0,2,0,0,0,0|2,0,0]=4 30706 B17R2.5300 Cc1cncc(c1)OCc2cncc(c2)Cl 34a_100011830280_100016992070 [0,2,0,0,0,0|2,0,0]=4 30707 B17R2.5300 Cc1cncc(c1)OCc2cncc(c2)Cl 7a_100011830280_100016992070 [0,2,0,0,0,0|2,0,0]=4 30708 B17R2.5300 Cc1cncc(c1)OCc2cncc(c2)F 34a_100011830280_100000725299 [0,2,0,0,0,0|2,0,0]=4 30709 B17R2.5300 Cc1cncc(c1)OCc2cncc(c2)F 7a_100011830280_100000725299 [0,2,0,0,0,0|2,0,0]=4 30710 B17R2.5300 Cc1cncc(c1)SCc2cccc(c2)Br 62a_100000211773_100000760492 [0,2,0,0,0,0|2,0,0]=4 30711 B17R2.5300 Cc1cncc(c1)SCc2cccc(c2)Br 62a_100000760492_100000211773 [0,2,0,0,0,0|2,0,0]=4 30712 B17R2.5300 Cc1cncc(c1)SCc2cccc(c2)Cl 62a_100000187163_100000760492 [0,2,0,0,0,0|2,0,0]=4 30713 B17R2.5300 Cc1cncc(c1)SCc2cccc(c2)Cl 62a_100000760492_100000187163 [0,2,0,0,0,0|2,0,0]=4 30714 B17R2.5300 Cc1cncc(c1)SCc2cccc(c2)F 62a_100000230114_100000760492 [0,2,0,0,0,0|2,0,0]=4 30715 B17R2.5300 Cc1cncc(c1)SCc2cccc(c2)F 62a_100000760492_100000230114 [0,2,0,0,0,0|2,0,0]=4 30716 B17R2.5300 Cc1cncc(c1)SCc2cccc(c2)I 62a_100000760492_100011218688 [0,2,0,0,0,0|2,0,0]=4 30717 B17R2.5300 Cc1cncc(c1)SCc2cccc(c2)I 62a_100011218688_100000760492 [0,2,0,0,0,0|2,0,0]=4 30718 B17R2.5300 Cc1cncc(c1)SCc2cccc(c2)O 62a_100000760492_100011660834 [0,2,0,0,0,0|2,0,0]=4 30719 B17R2.5300 Cc1cncc(c1)SCc2cccc(c2)O 62a_100011660834_100000760492 [0,2,0,0,0,0|2,0,0]=4 30720 B17R2.5300 Cc1cncc(c1)SCc2cncc(c2)Br 62a_100000738771_100000760492 [0,2,0,0,0,0|2,0,0]=4 30721 B17R2.5300 Cc1cncc(c1)SCc2cncc(c2)Br 62a_100000760492_100000738771 [0,2,0,0,0,0|2,0,0]=4 30722 B17R2.5300 Cc1cncc(c1)SCc2cncc(c2)Cl 62a_100000760492_100016992070 [0,2,0,0,0,0|2,0,0]=4 30723 B17R2.5300 Cc1cncc(c1)SCc2cncc(c2)Cl 62a_100016992070_100000760492 [0,2,0,0,0,0|2,0,0]=4 30724 B17R2.5300 Cc1cncc(c1)SCc2cncc(c2)F 62a_100000725299_100000760492 [0,2,0,0,0,0|2,0,0]=4 30725 B17R2.5300 Cc1cncc(c1)SCc2cncc(c2)F 62a_100000760492_100000725299 [0,2,0,0,0,0|2,0,0]=4 30726 B17R2.5300 Cc1cncc(n1)CNc2cccc(c2)Br 207a_100000210019_100000100294 [0,2,0,0,0,0|1,0,0]=3 30727 B17R2.5300 Cc1cncc(n1)CNc2cccc(c2)Cl 207a_100000185859_100000100294 [0,2,0,0,0,0|1,0,0]=3 30728 B17R2.5300 Cc1cncc(n1)CNc2cccc(c2)F 207a_100000210047_100000100294 [0,2,0,0,0,0|1,0,0]=3 30729 B17R2.5300 Cc1cncc(n1)CNc2cccc(c2)I 207a_100000211102_100000100294 [0,2,0,0,0,0|1,0,0]=3 30730 B17R2.5300 Cc1cncc(n1)NCc2cncc(c2)Br 27a_100011249555_100000754123 [0,2,0,0,0,0|2,0,0]=4 30731 B17R2.5300 Cc1cncc(n1)NCc2cncc(c2)Cl 27a_200020614424_100000754123 [0,2,0,0,0,0|2,0,0]=4 30732 B17R2.5300 Cc1cncc(n1)NCc2cncc(c2)F 27a_100011962886_100000754123 [0,2,0,0,0,0|2,0,0]=4 30733 B17R2.5300 Cc1cnnc(c1)NCc2cncc(c2)Br 27a_100011249555_100000070100 [0,2,0,0,0,0|2,0,0]=4 30734 B17R2.5300 Cc1cnnc(c1)NCc2cncc(c2)Cl 27a_200020614424_100000070100 [0,2,0,0,0,0|2,0,0]=4 30735 B17R2.5300 Cc1cnnc(c1)NCc2cncc(c2)F 27a_100011962886_100000070100 [0,2,0,0,0,0|2,0,0]=4 30736 B17R2.5300 Cc1nccc(n1)NCc2cncc(c2)Br 27a_100011249555_100000749937 [0,2,0,0,0,0|2,0,0]=4 30737 B17R2.5300 Cc1nccc(n1)NCc2cncc(c2)Cl 27a_200020614424_100000749937 [0,2,0,0,0,0|2,0,0]=4 30738 B17R2.5300 Cc1nccc(n1)NCc2cncc(c2)F 27a_100011962886_100000749937 [0,2,0,0,0,0|2,0,0]=4 30739 B17R2.5300 Clc1cc(ccn1)CNc2cccc(c2)Br 34a_100000210019_100000764220 [0,2,0,0,0,0|2,0,0]=4 30740 B17R2.5300 Clc1cc(ccn1)CNc2cccc(c2)I 34a_100000211102_100000764220 [0,2,0,0,0,0|2,0,0]=4 30741 B17R2.5300 Clc1cc(ccn1)OCc2cncc(c2)Br 34a_100000762945_100000738771 [0,2,0,0,0,0|2,0,0]=4 30742 B17R2.5300 Clc1cc(ccn1)SCc2cncc(c2)Br 62a_100000035001_100000738771 [0,2,0,0,0,0|2,0,0]=4 30743 B17R2.5300 Clc1cc(ccn1)SCc2cncc(c2)Br 62a_100000738771_100000035001 [0,2,0,0,0,0|2,0,0]=4 30744 B17R2.5300 Clc1cccc(c1)C=Cc2cncc(c2)Br 271570a_100102525933_100000728054 [0,2,0,0,0,0|1,0,1]=4 30745 B17R2.5300 Clc1cccc(c1)C=Cc2cncc(c2)Cl 271570a_100102525933_100000049639 [0,2,0,0,0,0|1,0,1]=4 30746 B17R2.5300 Clc1cccc(c1)CNc2cccc(c2)Br 207a_100000210019_100000210801 [0,2,0,0,0,0|1,0,0]=3 30747 B17R2.5300 Clc1cccc(c1)CNc2cccc(c2)Br 270302a_100000210019_100000210801 [0,2,0,0,0,0|1,0,0]=3 30748 B17R2.5300 Clc1cccc(c1)CNc2cccc(c2)Br 34a_100000210019_100000187163 [0,2,0,0,0,0|1,0,0]=3 30749 B17R2.5300 Clc1cccc(c1)CNc2cccc(c2)Cl 207a_100000185859_100000210801 [0,2,0,0,0,0|1,0,0]=3 30750 B17R2.5300 Clc1cccc(c1)CNc2cccc(c2)Cl 270302a_100000185859_100000210801 [0,2,0,0,0,0|1,0,0]=3 30751 B17R2.5300 Clc1cccc(c1)CNc2cccc(c2)Cl 34a_100000185859_100000187163 [0,2,0,0,0,0|1,0,0]=3 30752 B17R2.5300 Clc1cccc(c1)CNc2cccc(c2)I 207a_100000211102_100000210801 [0,2,0,0,0,0|1,0,0]=3 30753 B17R2.5300 Clc1cccc(c1)CNc2cccc(c2)I 270302a_100000211102_100000210801 [0,2,0,0,0,0|1,0,0]=3 30754 B17R2.5300 Clc1cccc(c1)CNc2cccc(c2)I 34a_100000211102_100000187163 [0,2,0,0,0,0|1,0,0]=3 30755 B17R2.5300 Clc1cccc(c1)COc2cccc(c2)Br 34a_100000210342_100000187163 [0,2,0,0,0,0|2,0,0]=4 30756 B17R2.5300 Clc1cccc(c1)COc2cccc(c2)Br 7a_100000210342_100000187163 [0,2,0,0,0,0|2,0,0]=4 30757 B17R2.5300 Clc1cccc(c1)COc2cccc(c2)Cl 34a_100000210295_100000187163 [0,2,0,0,0,0|2,0,0]=4 30758 B17R2.5300 Clc1cccc(c1)COc2cccc(c2)Cl 7a_100000210295_100000187163 [0,2,0,0,0,0|2,0,0]=4 30759 B17R2.5300 Clc1cccc(c1)COc2cccc(c2)I 34a_100000211634_100000187163 [0,2,0,0,0,0|2,0,0]=4 30760 B17R2.5300 Clc1cccc(c1)COc2cccc(c2)I 7a_100000211634_100000187163 [0,2,0,0,0,0|2,0,0]=4 30761 B17R2.5300 Clc1cccc(c1)COc2cncc(c2)Br 34a_100000754920_100000187163 [0,2,0,0,0,0|2,0,0]=4 30762 B17R2.5300 Clc1cccc(c1)COc2cncc(c2)Br 7a_100000754920_100000187163 [0,2,0,0,0,0|2,0,0]=4 30763 B17R2.5300 Clc1cccc(c1)COc2cncc(c2)Cl 7a_100000032511_100000187163 [0,2,0,0,0,0|2,0,0]=4 30764 B17R2.5300 Clc1cccc(c1)CSc2cccc(c2)Br 62a_100000187163_100000691529 [0,2,0,0,0,0|2,0,0]=4 30765 B17R2.5300 Clc1cccc(c1)CSc2cccc(c2)Br 62a_100000691529_100000187163 [0,2,0,0,0,0|2,0,0]=4 30766 B17R2.5300 Clc1cccc(c1)CSc2cccc(c2)Cl 62a_100000187163_100000699651 [0,2,0,0,0,0|2,0,0]=4 30767 B17R2.5300 Clc1cccc(c1)CSc2cccc(c2)Cl 62a_100000699651_100000187163 [0,2,0,0,0,0|2,0,0]=4 30768 B17R2.5300 Clc1cccc(c1)CSc2cncc(c2)Br 62a_100000187163_100000728054 [0,2,0,0,0,0|2,0,0]=4 30769 B17R2.5300 Clc1cccc(c1)CSc2cncc(c2)Br 62a_100000728054_100000187163 [0,2,0,0,0,0|2,0,0]=4 30770 B17R2.5300 Clc1cccc(c1)CSc2cncc(c2)Cl 62a_100000049639_100000187163 [0,2,0,0,0,0|2,0,0]=4 30771 B17R2.5300 Clc1cccc(c1)CSc2cncc(c2)Cl 62a_100000187163_100000049639 [0,2,0,0,0,0|2,0,0]=4 30772 B17R2.5300 Clc1cccc(c1)NCc2cc(ccn2)Br 34a_100000185859_100010173614 [0,2,0,0,0,0|2,0,0]=4 30773 B17R2.5300 Clc1cccc(c1)NCc2cc(ccn2)Cl 34a_100000185859_100016988179 [0,2,0,0,0,0|2,0,0]=4 30774 B17R2.5300 Clc1cccc(c1)NCc2cccc(c2)Br 207a_100000185859_100000210085 [0,2,0,0,0,0|1,0,0]=3 30775 B17R2.5300 Clc1cccc(c1)NCc2cccc(c2)Br 270302a_100000185859_100000210085 [0,2,0,0,0,0|1,0,0]=3 30776 B17R2.5300 Clc1cccc(c1)NCc2cccc(c2)Br 34a_100000185859_100000698116 [0,2,0,0,0,0|1,0,0]=3 30777 B17R2.5300 Clc1cccc(c1)NCc2cccc(c2)I 207a_100000185859_100000014684 [0,2,0,0,0,0|1,0,0]=3 30778 B17R2.5300 Clc1cccc(c1)NCc2cccc(c2)I 270302a_100000185859_100000014684 [0,2,0,0,0,0|1,0,0]=3 30779 B17R2.5300 Clc1cccc(c1)NCc2cccc(c2)I 34a_100000185859_100011218688 [0,2,0,0,0,0|1,0,0]=3 30780 B17R2.5300 Clc1cccc(c1)NCc2cccc(n2)Br 34a_100000185859_100009889011 [0,2,0,0,0,0|2,0,0]=4 30781 B17R2.5300 Clc1cccc(c1)NCc2cccc(n2)Cl 34a_100000185859_100000086093 [0,2,0,0,0,0|2,0,0]=4 30782 B17R2.5300 Clc1cccc(c1)NCc2ccnc(c2)Br 34a_100000185859_100010243470 [0,2,0,0,0,0|2,0,0]=4 30783 B17R2.5300 Clc1cccc(c1)NCc2ccnc(c2)Cl 34a_100000185859_100000764220 [0,2,0,0,0,0|2,0,0]=4 30784 B17R2.5300 Clc1cccc(c1)NCc2cncc(c2)Br 207a_100000185859_100000687066 [0,2,0,0,0,0|0,0,0]=2 30785 B17R2.5300 Clc1cccc(c1)NCc2cncc(c2)Br 270302a_100000185859_100000687066 [0,2,0,0,0,0|0,0,0]=2 30786 B17R2.5300 Clc1cccc(c1)NCc2cncc(c2)Br 34a_100000185859_100000738771 [0,2,0,0,0,0|0,0,0]=2 30787 B17R2.5300 Clc1cccc(c1)OCc2cccc(c2)Br 34a_100000210295_100000698116 [0,2,0,0,0,0|2,0,0]=4 30788 B17R2.5300 Clc1cccc(c1)OCc2cccc(c2)Br 7a_100000210295_100000211773 [0,2,0,0,0,0|2,0,0]=4 30789 B17R2.5300 Clc1cccc(c1)OCc2cccc(c2)I 34a_100000210295_100011218688 [0,2,0,0,0,0|2,0,0]=4 30790 B17R2.5300 Clc1cccc(c1)OCc2cccc(c2)I 7a_100000210295_100011218688 [0,2,0,0,0,0|2,0,0]=4 30791 B17R2.5300 Clc1cccc(c1)OCc2cncc(c2)Br 34a_100000210295_100000738771 [0,2,0,0,0,0|1,0,0]=3 30792 B17R2.5300 Clc1cccc(c1)OCc2cncc(c2)Br 7a_100000210295_100000738771 [0,2,0,0,0,0|1,0,0]=3 30793 B17R2.5300 Clc1cccc(c1)SCc2cccc(c2)Br 62a_100000211773_100000699651 [0,2,0,0,0,0|2,0,0]=4 30794 B17R2.5300 Clc1cccc(c1)SCc2cccc(c2)Br 62a_100000699651_100000211773 [0,2,0,0,0,0|2,0,0]=4 30795 B17R2.5300 Clc1cccc(c1)SCc2cccc(c2)I 62a_100000699651_100011218688 [0,2,0,0,0,0|2,0,0]=4 30796 B17R2.5300 Clc1cccc(c1)SCc2cccc(c2)I 62a_100011218688_100000699651 [0,2,0,0,0,0|2,0,0]=4 30797 B17R2.5300 Clc1cccc(c1)SCc2cncc(c2)Br 62a_100000699651_100000738771 [0,2,0,0,0,0|1,0,0]=3 30798 B17R2.5300 Clc1cccc(c1)SCc2cncc(c2)Br 62a_100000738771_100000699651 [0,2,0,0,0,0|1,0,0]=3 30799 B17R2.5300 Clc1cccc(n1)CNc2cccc(c2)Br 34a_100000210019_100000086093 [0,2,0,0,0,0|2,0,0]=4 30800 B17R2.5300 Clc1cccc(n1)CNc2cccc(c2)I 34a_100000211102_100000086093 [0,2,0,0,0,0|2,0,0]=4 30801 B17R2.5300 Clc1cccc(n1)SCc2cncc(c2)Br 62a_100000051397_100000738771 [0,2,0,0,0,0|2,0,0]=4 30802 B17R2.5300 Clc1cccc(n1)SCc2cncc(c2)Br 62a_100000738771_100000051397 [0,2,0,0,0,0|2,0,0]=4 30803 B17R2.5300 Clc1ccnc(c1)CNc2cccc(c2)Br 34a_100000210019_100016988179 [0,2,0,0,0,0|2,0,0]=4 30804 B17R2.5300 Clc1ccnc(c1)CNc2cccc(c2)I 34a_100000211102_100016988179 [0,2,0,0,0,0|2,0,0]=4 30805 B17R2.5300 Clc1ccnc(c1)SCc2cncc(c2)Br 62a_100000738771_100010167805 [0,2,0,0,0,0|2,0,0]=4 30806 B17R2.5300 Clc1ccnc(c1)SCc2cncc(c2)Br 62a_100010167805_100000738771 [0,2,0,0,0,0|2,0,0]=4 30807 B17R2.5300 Clc1cncc(c1)CNc2cccc(c2)Br 207a_100000210019_100000088910 [0,2,0,0,0,0|0,0,0]=2 30808 B17R2.5300 Clc1cncc(c1)CNc2cccc(c2)Br 270302a_100000210019_100000088910 [0,2,0,0,0,0|0,0,0]=2 30809 B17R2.5300 Clc1cncc(c1)CNc2cccc(c2)Br 34a_100000210019_100016992070 [0,2,0,0,0,0|0,0,0]=2 30810 B17R2.5300 Clc1cncc(c1)CNc2cccc(c2)Cl 207a_100000185859_100000088910 [0,2,0,0,0,0|0,0,0]=2 30811 B17R2.5300 Clc1cncc(c1)CNc2cccc(c2)Cl 270302a_100000185859_100000088910 [0,2,0,0,0,0|0,0,0]=2 30812 B17R2.5300 Clc1cncc(c1)CNc2cccc(c2)Cl 34a_100000185859_100016992070 [0,2,0,0,0,0|0,0,0]=2 30813 B17R2.5300 Clc1cncc(c1)CNc2cccc(c2)I 207a_100000211102_100000088910 [0,2,0,0,0,0|0,0,0]=2 30814 B17R2.5300 Clc1cncc(c1)CNc2cccc(c2)I 270302a_100000211102_100000088910 [0,2,0,0,0,0|0,0,0]=2 30815 B17R2.5300 Clc1cncc(c1)CNc2cccc(c2)I 34a_100000211102_100016992070 [0,2,0,0,0,0|0,0,0]=2 30816 B17R2.5300 Clc1cncc(c1)CNc2cncc(n2)Cl 27a_200020614424_100010892449 [0,2,0,0,0,0|2,0,0]=4 30817 B17R2.5300 Clc1cncc(c1)COc2cccc(c2)Br 34a_100000210342_100016992070 [0,2,0,0,0,0|1,0,0]=3 30818 B17R2.5300 Clc1cncc(c1)COc2cccc(c2)Br 7a_100000210342_100016992070 [0,2,0,0,0,0|1,0,0]=3 30819 B17R2.5300 Clc1cncc(c1)COc2cccc(c2)Cl 34a_100000210295_100016992070 [0,2,0,0,0,0|1,0,0]=3 30820 B17R2.5300 Clc1cncc(c1)COc2cccc(c2)Cl 7a_100000210295_100016992070 [0,2,0,0,0,0|1,0,0]=3 30821 B17R2.5300 Clc1cncc(c1)COc2cccc(c2)I 34a_100000211634_100016992070 [0,2,0,0,0,0|1,0,0]=3 30822 B17R2.5300 Clc1cncc(c1)COc2cccc(c2)I 7a_100000211634_100016992070 [0,2,0,0,0,0|1,0,0]=3 30823 B17R2.5300 Clc1cncc(c1)COc2ccnc(c2)Cl 34a_100000762945_100016992070 [0,2,0,0,0,0|2,0,0]=4 30824 B17R2.5300 Clc1cncc(c1)COc2cncc(c2)Br 34a_100000754920_100016992070 [0,2,0,0,0,0|2,0,0]=4 30825 B17R2.5300 Clc1cncc(c1)COc2cncc(c2)Br 7a_100000754920_100016992070 [0,2,0,0,0,0|2,0,0]=4 30826 B17R2.5300 Clc1cncc(c1)COc2cncc(c2)Cl 7a_100000032511_100016992070 [0,2,0,0,0,0|2,0,0]=4 30827 B17R2.5300 Clc1cncc(c1)CSc2cc(ccn2)Cl 62a_100010167805_100016992070 [0,2,0,0,0,0|2,0,0]=4 30828 B17R2.5300 Clc1cncc(c1)CSc2cc(ccn2)Cl 62a_100016992070_100010167805 [0,2,0,0,0,0|2,0,0]=4 30829 B17R2.5300 Clc1cncc(c1)CSc2cccc(c2)Br 62a_100000691529_100016992070 [0,2,0,0,0,0|1,0,0]=3 30830 B17R2.5300 Clc1cncc(c1)CSc2cccc(c2)Br 62a_100016992070_100000691529 [0,2,0,0,0,0|1,0,0]=3 30831 B17R2.5300 Clc1cncc(c1)CSc2cccc(c2)Cl 62a_100000699651_100016992070 [0,2,0,0,0,0|1,0,0]=3 30832 B17R2.5300 Clc1cncc(c1)CSc2cccc(c2)Cl 62a_100016992070_100000699651 [0,2,0,0,0,0|1,0,0]=3 30833 B17R2.5300 Clc1cncc(c1)CSc2cccc(n2)Br 62a_100000684672_100016992070 [0,2,0,0,0,0|2,0,0]=4 30834 B17R2.5300 Clc1cncc(c1)CSc2cccc(n2)Br 62a_100016992070_100000684672 [0,2,0,0,0,0|2,0,0]=4 30835 B17R2.5300 Clc1cncc(c1)CSc2cccc(n2)Cl 62a_100000051397_100016992070 [0,2,0,0,0,0|2,0,0]=4 30836 B17R2.5300 Clc1cncc(c1)CSc2cccc(n2)Cl 62a_100016992070_100000051397 [0,2,0,0,0,0|2,0,0]=4 30837 B17R2.5300 Clc1cncc(c1)CSc2ccnc(c2)Br 62a_100009814637_100016992070 [0,2,0,0,0,0|2,0,0]=4 30838 B17R2.5300 Clc1cncc(c1)CSc2ccnc(c2)Br 62a_100016992070_100009814637 [0,2,0,0,0,0|2,0,0]=4 30839 B17R2.5300 Clc1cncc(c1)CSc2ccnc(c2)Cl 62a_100000035001_100016992070 [0,2,0,0,0,0|2,0,0]=4 30840 B17R2.5300 Clc1cncc(c1)CSc2ccnc(c2)Cl 62a_100016992070_100000035001 [0,2,0,0,0,0|2,0,0]=4 30841 B17R2.5300 Clc1cncc(c1)CSc2cncc(c2)Br 62a_100000728054_100016992070 [0,2,0,0,0,0|2,0,0]=4 30842 B17R2.5300 Clc1cncc(c1)CSc2cncc(c2)Br 62a_100016992070_100000728054 [0,2,0,0,0,0|2,0,0]=4 30843 B17R2.5300 Clc1cncc(c1)CSc2cncc(c2)Cl 62a_100000049639_100016992070 [0,2,0,0,0,0|2,0,0]=4 30844 B17R2.5300 Clc1cncc(c1)CSc2cncc(c2)Cl 62a_100016992070_100000049639 [0,2,0,0,0,0|2,0,0]=4 30845 B17R2.5300 Clc1cncc(c1)OCc2cccc(c2)Br 7a_100000032511_100000211773 [0,2,0,0,0,0|2,0,0]=4 30846 B17R2.5300 Clc1cncc(c1)OCc2cccc(c2)I 7a_100000032511_100011218688 [0,2,0,0,0,0|2,0,0]=4 30847 B17R2.5300 Clc1cncc(c1)OCc2cncc(c2)Br 7a_100000032511_100000738771 [0,2,0,0,0,0|2,0,0]=4 30848 B17R2.5300 Clc1cncc(c1)SCc2cccc(c2)Br 62a_100000049639_100000211773 [0,2,0,0,0,0|2,0,0]=4 30849 B17R2.5300 Clc1cncc(c1)SCc2cccc(c2)Br 62a_100000211773_100000049639 [0,2,0,0,0,0|2,0,0]=4 30850 B17R2.5300 Clc1cncc(c1)SCc2cccc(c2)I 62a_100000049639_100011218688 [0,2,0,0,0,0|2,0,0]=4 30851 B17R2.5300 Clc1cncc(c1)SCc2cccc(c2)I 62a_100011218688_100000049639 [0,2,0,0,0,0|2,0,0]=4 30852 B17R2.5300 Clc1cncc(c1)SCc2cncc(c2)Br 62a_100000049639_100000738771 [0,2,0,0,0,0|2,0,0]=4 30853 B17R2.5300 Clc1cncc(c1)SCc2cncc(c2)Br 62a_100000738771_100000049639 [0,2,0,0,0,0|2,0,0]=4 30854 B17R2.5300 Clc1cncc(n1)NCc2cncc(c2)Br 27a_100011249555_100010892449 [0,2,0,0,0,0|2,0,0]=4 30855 B17R2.5300 Fc1cc(ccn1)NCc2cccc(c2)Br 27a_100000174977_100009816116 [0,2,0,0,0,0|2,0,0]=4 30856 B17R2.5300 Fc1cc(ccn1)NCc2cccc(c2)Cl 27a_100000174878_100009816116 [0,2,0,0,0,0|2,0,0]=4 30857 B17R2.5300 Fc1cc(ccn1)NCc2cccc(c2)I 27a_100000106179_100009816116 [0,2,0,0,0,0|2,0,0]=4 30858 B17R2.5300 Fc1cc(ccn1)NCc2cncc(c2)Br 27a_100011249555_100009816116 [0,2,0,0,0,0|1,0,0]=3 30859 B17R2.5300 Fc1cc(ccn1)NCc2cncc(c2)Cl 27a_200020614424_100009816116 [0,2,0,0,0,0|1,0,0]=3 30860 B17R2.5300 Fc1cc(ccn1)OCc2cncc(c2)Br 34a_100000732698_100000738771 [0,2,0,0,0,0|2,0,0]=4 30861 B17R2.5300 Fc1cc(ccn1)OCc2cncc(c2)Cl 34a_100000732698_100016992070 [0,2,0,0,0,0|2,0,0]=4 30862 B17R2.5300 Fc1cc(ccn1)SCc2cncc(c2)Br 62a_100000738771_100009816116 [0,2,0,0,0,0|2,0,0]=4 30863 B17R2.5300 Fc1cc(ccn1)SCc2cncc(c2)Br 62a_100009816116_100000738771 [0,2,0,0,0,0|2,0,0]=4 30864 B17R2.5300 Fc1cc(ccn1)SCc2cncc(c2)Cl 62a_100009816116_100016992070 [0,2,0,0,0,0|2,0,0]=4 30865 B17R2.5300 Fc1cc(ccn1)SCc2cncc(c2)Cl 62a_100016992070_100009816116 [0,2,0,0,0,0|2,0,0]=4 30866 B17R2.5300 Fc1cc(ncn1)NCc2cncc(c2)Br 27a_100011249555_200009880791 [0,2,0,0,0,0|2,0,0]=4 30867 B17R2.5300 Fc1cc(ncn1)NCc2cncc(c2)Cl 27a_200020614424_200009880791 [0,2,0,0,0,0|2,0,0]=4 30868 B17R2.5300 Fc1cccc(c1)C=Cc2cncc(c2)Br 271570a_100102525537_100000728054 [0,2,0,0,0,0|1,0,1]=4 30869 B17R2.5300 Fc1cccc(c1)C=Cc2cncc(c2)Cl 271570a_100102525537_100000049639 [0,2,0,0,0,0|1,0,1]=4 30870 B17R2.5300 Fc1cccc(c1)C=Cc2cncc(c2)F 271570a_100102525537_100000744099 [0,2,0,0,0,0|1,0,1]=4 30871 B17R2.5300 Fc1cccc(c1)CNc2cc(ccn2)F 27a_100000174948_100000764206 [0,2,0,0,0,0|2,0,0]=4 30872 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)Br 207a_100000210019_100000210812 [0,2,0,0,0,0|1,0,0]=3 30873 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)Br 270302a_100000210019_100000210812 [0,2,0,0,0,0|1,0,0]=3 30874 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)Br 34a_100000210019_100000187166 [0,2,0,0,0,0|1,0,0]=3 30875 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)Cl 207a_100000185859_100000210812 [0,2,0,0,0,0|1,0,0]=3 30876 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)Cl 270302a_100000185859_100000210812 [0,2,0,0,0,0|1,0,0]=3 30877 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)Cl 34a_100000185859_100000187166 [0,2,0,0,0,0|1,0,0]=3 30878 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)F 207a_100000210047_100000210812 [0,2,0,0,0,0|1,0,0]=3 30879 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)F 270302a_100000210047_100000210812 [0,2,0,0,0,0|1,0,0]=3 30880 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)F 34a_100000210047_100000187166 [0,2,0,0,0,0|1,0,0]=3 30881 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)I 207a_100000211102_100000210812 [0,2,0,0,0,0|1,0,0]=3 30882 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)I 270302a_100000211102_100000210812 [0,2,0,0,0,0|1,0,0]=3 30883 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)I 34a_100000211102_100000187166 [0,2,0,0,0,0|1,0,0]=3 30884 B17R2.5300 Fc1cccc(c1)CNc2cccc(n2)F 27a_100000174948_100009815982 [0,2,0,0,0,0|2,0,0]=4 30885 B17R2.5300 Fc1cccc(c1)CNc2ccnc(c2)F 27a_100000174948_100009816116 [0,2,0,0,0,0|2,0,0]=4 30886 B17R2.5300 Fc1cccc(c1)COc2cccc(c2)Br 34a_100000210342_100000187166 [0,2,0,0,0,0|2,0,0]=4 30887 B17R2.5300 Fc1cccc(c1)COc2cccc(c2)Br 7a_100000210342_100000230114 [0,2,0,0,0,0|2,0,0]=4 30888 B17R2.5300 Fc1cccc(c1)COc2cccc(c2)Cl 34a_100000210295_100000187166 [0,2,0,0,0,0|2,0,0]=4 30889 B17R2.5300 Fc1cccc(c1)COc2cccc(c2)Cl 7a_100000210295_100000230114 [0,2,0,0,0,0|2,0,0]=4 30890 B17R2.5300 Fc1cccc(c1)COc2cccc(c2)F 34a_100000210426_100000187166 [0,2,0,0,0,0|2,0,0]=4 30891 B17R2.5300 Fc1cccc(c1)COc2cccc(c2)F 7a_100000210426_100000230114 [0,2,0,0,0,0|2,0,0]=4 30892 B17R2.5300 Fc1cccc(c1)COc2cccc(c2)I 34a_100000211634_100000187166 [0,2,0,0,0,0|2,0,0]=4 30893 B17R2.5300 Fc1cccc(c1)COc2cccc(c2)I 7a_100000211634_100000230114 [0,2,0,0,0,0|2,0,0]=4 30894 B17R2.5300 Fc1cccc(c1)COc2cncc(c2)Br 34a_100000754920_100000187166 [0,2,0,0,0,0|2,0,0]=4 30895 B17R2.5300 Fc1cccc(c1)COc2cncc(c2)Br 7a_100000754920_100000230114 [0,2,0,0,0,0|2,0,0]=4 30896 B17R2.5300 Fc1cccc(c1)COc2cncc(c2)Cl 7a_100000032511_100000230114 [0,2,0,0,0,0|2,0,0]=4 30897 B17R2.5300 Fc1cccc(c1)COc2cncc(c2)F 34a_100011830296_100000187166 [0,2,0,0,0,0|2,0,0]=4 30898 B17R2.5300 Fc1cccc(c1)COc2cncc(c2)F 7a_100011830296_100000230114 [0,2,0,0,0,0|2,0,0]=4 30899 B17R2.5300 Fc1cccc(c1)CSc2cccc(c2)Br 62a_100000230114_100000691529 [0,2,0,0,0,0|2,0,0]=4 30900 B17R2.5300 Fc1cccc(c1)CSc2cccc(c2)Br 62a_100000691529_100000230114 [0,2,0,0,0,0|2,0,0]=4 30901 B17R2.5300 Fc1cccc(c1)CSc2cccc(c2)Cl 62a_100000230114_100000699651 [0,2,0,0,0,0|2,0,0]=4 30902 B17R2.5300 Fc1cccc(c1)CSc2cccc(c2)Cl 62a_100000699651_100000230114 [0,2,0,0,0,0|2,0,0]=4 30903 B17R2.5300 Fc1cccc(c1)CSc2cccc(c2)F 62a_100000230114_100000685547 [0,2,0,0,0,0|2,0,0]=4 30904 B17R2.5300 Fc1cccc(c1)CSc2cccc(c2)F 62a_100000685547_100000230114 [0,2,0,0,0,0|2,0,0]=4 30905 B17R2.5300 Fc1cccc(c1)CSc2cccc(c2)[S] 62a_100000230114_114929384022 [0,2,0,0,0,0|2,0,0]=4 30906 B17R2.5300 Fc1cccc(c1)CSc2cccc(c2)[S] 62a_114929384022_100000230114 [0,2,0,0,0,0|2,0,0]=4 30907 B17R2.5300 Fc1cccc(c1)CSc2cncc(c2)Br 62a_100000230114_100000728054 [0,2,0,0,0,0|2,0,0]=4 30908 B17R2.5300 Fc1cccc(c1)CSc2cncc(c2)Br 62a_100000728054_100000230114 [0,2,0,0,0,0|2,0,0]=4 30909 B17R2.5300 Fc1cccc(c1)CSc2cncc(c2)Cl 62a_100000049639_100000230114 [0,2,0,0,0,0|2,0,0]=4 30910 B17R2.5300 Fc1cccc(c1)CSc2cncc(c2)Cl 62a_100000230114_100000049639 [0,2,0,0,0,0|2,0,0]=4 30911 B17R2.5300 Fc1cccc(c1)CSc2cncc(c2)F 62a_100000230114_100000744099 [0,2,0,0,0,0|2,0,0]=4 30912 B17R2.5300 Fc1cccc(c1)CSc2cncc(c2)F 62a_100000744099_100000230114 [0,2,0,0,0,0|2,0,0]=4 30913 B17R2.5300 Fc1cccc(c1)NCc2cc(ccn2)Br 34a_100000210047_100010173614 [0,2,0,0,0,0|2,0,0]=4 30914 B17R2.5300 Fc1cccc(c1)NCc2cc(ccn2)Cl 34a_100000210047_100016988179 [0,2,0,0,0,0|2,0,0]=4 30915 B17R2.5300 Fc1cccc(c1)NCc2cccc(c2)Br 207a_100000210047_100000210085 [0,2,0,0,0,0|1,0,0]=3 30916 B17R2.5300 Fc1cccc(c1)NCc2cccc(c2)Br 270302a_100000210047_100000210085 [0,2,0,0,0,0|1,0,0]=3 30917 B17R2.5300 Fc1cccc(c1)NCc2cccc(c2)Br 34a_100000210047_100000698116 [0,2,0,0,0,0|1,0,0]=3 30918 B17R2.5300 Fc1cccc(c1)NCc2cccc(c2)Cl 207a_100000210047_100000210801 [0,2,0,0,0,0|1,0,0]=3 30919 B17R2.5300 Fc1cccc(c1)NCc2cccc(c2)Cl 270302a_100000210047_100000210801 [0,2,0,0,0,0|1,0,0]=3 30920 B17R2.5300 Fc1cccc(c1)NCc2cccc(c2)Cl 34a_100000210047_100000187163 [0,2,0,0,0,0|1,0,0]=3 30921 B17R2.5300 Fc1cccc(c1)NCc2cccc(c2)I 207a_100000210047_100000014684 [0,2,0,0,0,0|1,0,0]=3 30922 B17R2.5300 Fc1cccc(c1)NCc2cccc(c2)I 270302a_100000210047_100000014684 [0,2,0,0,0,0|1,0,0]=3 30923 B17R2.5300 Fc1cccc(c1)NCc2cccc(c2)I 34a_100000210047_100011218688 [0,2,0,0,0,0|1,0,0]=3 30924 B17R2.5300 Fc1cccc(c1)NCc2cccc(n2)Br 34a_100000210047_100009889011 [0,2,0,0,0,0|2,0,0]=4 30925 B17R2.5300 Fc1cccc(c1)NCc2cccc(n2)Cl 34a_100000210047_100000086093 [0,2,0,0,0,0|2,0,0]=4 30926 B17R2.5300 Fc1cccc(c1)NCc2cccc(n2)F 34a_100000210047_100009819644 [0,2,0,0,0,0|2,0,0]=4 30927 B17R2.5300 Fc1cccc(c1)NCc2ccnc(c2)Br 34a_100000210047_100010243470 [0,2,0,0,0,0|2,0,0]=4 30928 B17R2.5300 Fc1cccc(c1)NCc2ccnc(c2)Cl 34a_100000210047_100000764220 [0,2,0,0,0,0|2,0,0]=4 30929 B17R2.5300 Fc1cccc(c1)NCc2cncc(c2)Br 207a_100000210047_100000687066 [0,2,0,0,0,0|0,0,0]=2 30930 B17R2.5300 Fc1cccc(c1)NCc2cncc(c2)Br 270302a_100000210047_100000687066 [0,2,0,0,0,0|0,0,0]=2 30931 B17R2.5300 Fc1cccc(c1)NCc2cncc(c2)Br 34a_100000210047_100000738771 [0,2,0,0,0,0|0,0,0]=2 30932 B17R2.5300 Fc1cccc(c1)NCc2cncc(c2)Cl 207a_100000210047_100000088910 [0,2,0,0,0,0|0,0,0]=2 30933 B17R2.5300 Fc1cccc(c1)NCc2cncc(c2)Cl 270302a_100000210047_100000088910 [0,2,0,0,0,0|0,0,0]=2 30934 B17R2.5300 Fc1cccc(c1)NCc2cncc(c2)Cl 34a_100000210047_100016992070 [0,2,0,0,0,0|0,0,0]=2 30935 B17R2.5300 Fc1cccc(c1)OCc2cccc(c2)Br 34a_100000210426_100000698116 [0,2,0,0,0,0|2,0,0]=4 30936 B17R2.5300 Fc1cccc(c1)OCc2cccc(c2)Br 7a_100000210426_100000211773 [0,2,0,0,0,0|2,0,0]=4 30937 B17R2.5300 Fc1cccc(c1)OCc2cccc(c2)Cl 34a_100000210426_100000187163 [0,2,0,0,0,0|2,0,0]=4 30938 B17R2.5300 Fc1cccc(c1)OCc2cccc(c2)Cl 7a_100000210426_100000187163 [0,2,0,0,0,0|2,0,0]=4 30939 B17R2.5300 Fc1cccc(c1)OCc2cccc(c2)I 34a_100000210426_100011218688 [0,2,0,0,0,0|2,0,0]=4 30940 B17R2.5300 Fc1cccc(c1)OCc2cccc(c2)I 7a_100000210426_100011218688 [0,2,0,0,0,0|2,0,0]=4 30941 B17R2.5300 Fc1cccc(c1)OCc2cncc(c2)Br 34a_100000210426_100000738771 [0,2,0,0,0,0|1,0,0]=3 30942 B17R2.5300 Fc1cccc(c1)OCc2cncc(c2)Br 7a_100000210426_100000738771 [0,2,0,0,0,0|1,0,0]=3 30943 B17R2.5300 Fc1cccc(c1)OCc2cncc(c2)Cl 34a_100000210426_100016992070 [0,2,0,0,0,0|1,0,0]=3 30944 B17R2.5300 Fc1cccc(c1)OCc2cncc(c2)Cl 7a_100000210426_100016992070 [0,2,0,0,0,0|1,0,0]=3 30945 B17R2.5300 Fc1cccc(c1)SCc2cccc(c2)Br 62a_100000211773_100000685547 [0,2,0,0,0,0|2,0,0]=4 30946 B17R2.5300 Fc1cccc(c1)SCc2cccc(c2)Br 62a_100000685547_100000211773 [0,2,0,0,0,0|2,0,0]=4 30947 B17R2.5300 Fc1cccc(c1)SCc2cccc(c2)Cl 62a_100000187163_100000685547 [0,2,0,0,0,0|2,0,0]=4 30948 B17R2.5300 Fc1cccc(c1)SCc2cccc(c2)Cl 62a_100000685547_100000187163 [0,2,0,0,0,0|2,0,0]=4 30949 B17R2.5300 Fc1cccc(c1)SCc2cccc(c2)I 62a_100000685547_100011218688 [0,2,0,0,0,0|2,0,0]=4 30950 B17R2.5300 Fc1cccc(c1)SCc2cccc(c2)I 62a_100011218688_100000685547 [0,2,0,0,0,0|2,0,0]=4 30951 B17R2.5300 Fc1cccc(c1)SCc2cncc(c2)Br 62a_100000685547_100000738771 [0,2,0,0,0,0|1,0,0]=3 30952 B17R2.5300 Fc1cccc(c1)SCc2cncc(c2)Br 62a_100000738771_100000685547 [0,2,0,0,0,0|1,0,0]=3 30953 B17R2.5300 Fc1cccc(c1)SCc2cncc(c2)Cl 62a_100000685547_100016992070 [0,2,0,0,0,0|1,0,0]=3 30954 B17R2.5300 Fc1cccc(c1)SCc2cncc(c2)Cl 62a_100016992070_100000685547 [0,2,0,0,0,0|1,0,0]=3 30955 B17R2.5300 Fc1cccc(n1)CNc2cccc(c2)Br 34a_100000210019_100009819644 [0,2,0,0,0,0|2,0,0]=4 30956 B17R2.5300 Fc1cccc(n1)CNc2cccc(c2)Cl 34a_100000185859_100009819644 [0,2,0,0,0,0|2,0,0]=4 30957 B17R2.5300 Fc1cccc(n1)CNc2cccc(c2)I 34a_100000211102_100009819644 [0,2,0,0,0,0|2,0,0]=4 30958 B17R2.5300 Fc1cccc(n1)NCc2cccc(c2)Br 27a_100000174977_100009815982 [0,2,0,0,0,0|2,0,0]=4 30959 B17R2.5300 Fc1cccc(n1)NCc2cccc(c2)Cl 27a_100000174878_100009815982 [0,2,0,0,0,0|2,0,0]=4 30960 B17R2.5300 Fc1cccc(n1)NCc2cccc(c2)I 27a_100000106179_100009815982 [0,2,0,0,0,0|2,0,0]=4 30961 B17R2.5300 Fc1cccc(n1)NCc2cncc(c2)Br 27a_100011249555_100009815982 [0,2,0,0,0,0|1,0,0]=3 30962 B17R2.5300 Fc1cccc(n1)NCc2cncc(c2)Cl 27a_200020614424_100009815982 [0,2,0,0,0,0|1,0,0]=3 30963 B17R2.5300 Fc1cccc(n1)OCc2cncc(c2)Br 34a_100011432558_100000738771 [0,2,0,0,0,0|2,0,0]=4 30964 B17R2.5300 Fc1cccc(n1)OCc2cncc(c2)Cl 34a_100011432558_100016992070 [0,2,0,0,0,0|2,0,0]=4 30965 B17R2.5300 Fc1cccc(n1)SCc2cncc(c2)Br 62a_100000738771_100009815982 [0,2,0,0,0,0|2,0,0]=4 30966 B17R2.5300 Fc1cccc(n1)SCc2cncc(c2)Br 62a_100009815982_100000738771 [0,2,0,0,0,0|2,0,0]=4 30967 B17R2.5300 Fc1cccc(n1)SCc2cncc(c2)Cl 62a_100009815982_100016992070 [0,2,0,0,0,0|2,0,0]=4 30968 B17R2.5300 Fc1cccc(n1)SCc2cncc(c2)Cl 62a_100016992070_100009815982 [0,2,0,0,0,0|2,0,0]=4 30969 B17R2.5300 Fc1ccnc(c1)NCc2cccc(c2)Br 27a_100000174977_100000764206 [0,2,0,0,0,0|2,0,0]=4 30970 B17R2.5300 Fc1ccnc(c1)NCc2cccc(c2)Cl 27a_100000174878_100000764206 [0,2,0,0,0,0|2,0,0]=4 30971 B17R2.5300 Fc1ccnc(c1)NCc2cccc(c2)I 27a_100000106179_100000764206 [0,2,0,0,0,0|2,0,0]=4 30972 B17R2.5300 Fc1ccnc(c1)NCc2cncc(c2)Br 27a_100011249555_100000764206 [0,2,0,0,0,0|1,0,0]=3 30973 B17R2.5300 Fc1ccnc(c1)NCc2cncc(c2)Cl 27a_200020614424_100000764206 [0,2,0,0,0,0|1,0,0]=3 30974 B17R2.5300 Fc1ccnc(c1)SCc2cncc(c2)Br 62a_100000738771_100000764206 [0,2,0,0,0,0|2,0,0]=4 30975 B17R2.5300 Fc1ccnc(c1)SCc2cncc(c2)Br 62a_100000764206_100000738771 [0,2,0,0,0,0|2,0,0]=4 30976 B17R2.5300 Fc1ccnc(c1)SCc2cncc(c2)Cl 62a_100000764206_100016992070 [0,2,0,0,0,0|2,0,0]=4 30977 B17R2.5300 Fc1ccnc(c1)SCc2cncc(c2)Cl 62a_100016992070_100000764206 [0,2,0,0,0,0|2,0,0]=4 30978 B17R2.5300 Fc1cncc(c1)C=Cc2cccc(c2)Cl 271570a_100102525933_100000744099 [0,2,0,0,0,0|1,0,1]=4 30979 B17R2.5300 Fc1cncc(c1)CNc2cc(ccn2)F 27a_100011962886_100000764206 [0,2,0,0,0,0|1,0,0]=3 30980 B17R2.5300 Fc1cncc(c1)CNc2cc(ncn2)F 27a_100011962886_200009880791 [0,2,0,0,0,0|2,0,0]=4 30981 B17R2.5300 Fc1cncc(c1)CNc2cccc(c2)Br 207a_100000210019_100011361476 [0,2,0,0,0,0|0,0,0]=2 30982 B17R2.5300 Fc1cncc(c1)CNc2cccc(c2)Br 270302a_100000210019_100011361476 [0,2,0,0,0,0|0,0,0]=2 30983 B17R2.5300 Fc1cncc(c1)CNc2cccc(c2)Br 34a_100000210019_100000725299 [0,2,0,0,0,0|0,0,0]=2 30984 B17R2.5300 Fc1cncc(c1)CNc2cccc(c2)Cl 207a_100000185859_100011361476 [0,2,0,0,0,0|0,0,0]=2 30985 B17R2.5300 Fc1cncc(c1)CNc2cccc(c2)Cl 270302a_100000185859_100011361476 [0,2,0,0,0,0|0,0,0]=2 30986 B17R2.5300 Fc1cncc(c1)CNc2cccc(c2)Cl 34a_100000185859_100000725299 [0,2,0,0,0,0|0,0,0]=2 30987 B17R2.5300 Fc1cncc(c1)CNc2cccc(c2)F 207a_100000210047_100011361476 [0,2,0,0,0,0|0,0,0]=2 30988 B17R2.5300 Fc1cncc(c1)CNc2cccc(c2)F 270302a_100000210047_100011361476 [0,2,0,0,0,0|0,0,0]=2 30989 B17R2.5300 Fc1cncc(c1)CNc2cccc(c2)F 34a_100000210047_100000725299 [0,2,0,0,0,0|0,0,0]=2 30990 B17R2.5300 Fc1cncc(c1)CNc2cccc(c2)I 207a_100000211102_100011361476 [0,2,0,0,0,0|0,0,0]=2 30991 B17R2.5300 Fc1cncc(c1)CNc2cccc(c2)I 270302a_100000211102_100011361476 [0,2,0,0,0,0|0,0,0]=2 30992 B17R2.5300 Fc1cncc(c1)CNc2cccc(c2)I 34a_100000211102_100000725299 [0,2,0,0,0,0|0,0,0]=2 30993 B17R2.5300 Fc1cncc(c1)CNc2cccc(n2)F 27a_100011962886_100009815982 [0,2,0,0,0,0|1,0,0]=3 30994 B17R2.5300 Fc1cncc(c1)CNc2ccnc(c2)F 27a_100011962886_100009816116 [0,2,0,0,0,0|1,0,0]=3 30995 B17R2.5300 Fc1cncc(c1)CNc2cncc(n2)Cl 27a_100011962886_100010892449 [0,2,0,0,0,0|2,0,0]=4 30996 B17R2.5300 Fc1cncc(c1)CNc2cncc(n2)F 27a_100011962886_200009863489 [0,2,0,0,0,0|2,0,0]=4 30997 B17R2.5300 Fc1cncc(c1)COc2cccc(c2)Br 34a_100000210342_100000725299 [0,2,0,0,0,0|1,0,0]=3 30998 B17R2.5300 Fc1cncc(c1)COc2cccc(c2)Br 7a_100000210342_100000725299 [0,2,0,0,0,0|1,0,0]=3 30999 B17R2.5300 Fc1cncc(c1)COc2cccc(c2)Cl 34a_100000210295_100000725299 [0,2,0,0,0,0|1,0,0]=3 31000 B17R2.5300 Fc1cncc(c1)COc2cccc(c2)Cl 7a_100000210295_100000725299 [0,2,0,0,0,0|1,0,0]=3 31001 B17R2.5300 Fc1cncc(c1)COc2cccc(c2)F 34a_100000210426_100000725299 [0,2,0,0,0,0|1,0,0]=3 31002 B17R2.5300 Fc1cncc(c1)COc2cccc(c2)F 7a_100000210426_100000725299 [0,2,0,0,0,0|1,0,0]=3 31003 B17R2.5300 Fc1cncc(c1)COc2cccc(c2)I 34a_100000211634_100000725299 [0,2,0,0,0,0|1,0,0]=3 31004 B17R2.5300 Fc1cncc(c1)COc2cccc(c2)I 7a_100000211634_100000725299 [0,2,0,0,0,0|1,0,0]=3 31005 B17R2.5300 Fc1cncc(c1)COc2cccc(n2)F 34a_100011432558_100000725299 [0,2,0,0,0,0|2,0,0]=4 31006 B17R2.5300 Fc1cncc(c1)COc2ccnc(c2)Cl 34a_100000762945_100000725299 [0,2,0,0,0,0|2,0,0]=4 31007 B17R2.5300 Fc1cncc(c1)COc2ccnc(c2)F 34a_100000732698_100000725299 [0,2,0,0,0,0|2,0,0]=4 31008 B17R2.5300 Fc1cncc(c1)COc2cncc(c2)Br 34a_100000754920_100000725299 [0,2,0,0,0,0|2,0,0]=4 31009 B17R2.5300 Fc1cncc(c1)COc2cncc(c2)Br 7a_100000754920_100000725299 [0,2,0,0,0,0|2,0,0]=4 31010 B17R2.5300 Fc1cncc(c1)COc2cncc(c2)Cl 7a_100000032511_100000725299 [0,2,0,0,0,0|2,0,0]=4 31011 B17R2.5300 Fc1cncc(c1)COc2cncc(c2)F 34a_100011830296_100000725299 [0,2,0,0,0,0|2,0,0]=4 31012 B17R2.5300 Fc1cncc(c1)COc2cncc(c2)F 7a_100011830296_100000725299 [0,2,0,0,0,0|2,0,0]=4 31013 B17R2.5300 Fc1cncc(c1)CSc2cc(ccn2)Cl 62a_100000725299_100010167805 [0,2,0,0,0,0|2,0,0]=4 31014 B17R2.5300 Fc1cncc(c1)CSc2cc(ccn2)Cl 62a_100010167805_100000725299 [0,2,0,0,0,0|2,0,0]=4 31015 B17R2.5300 Fc1cncc(c1)CSc2cc(ccn2)F 62a_100000725299_100000764206 [0,2,0,0,0,0|2,0,0]=4 31016 B17R2.5300 Fc1cncc(c1)CSc2cc(ccn2)F 62a_100000764206_100000725299 [0,2,0,0,0,0|2,0,0]=4 31017 B17R2.5300 Fc1cncc(c1)CSc2cccc(c2)Br 62a_100000691529_100000725299 [0,2,0,0,0,0|1,0,0]=3 31018 B17R2.5300 Fc1cncc(c1)CSc2cccc(c2)Br 62a_100000725299_100000691529 [0,2,0,0,0,0|1,0,0]=3 31019 B17R2.5300 Fc1cncc(c1)CSc2cccc(c2)Cl 62a_100000699651_100000725299 [0,2,0,0,0,0|1,0,0]=3 31020 B17R2.5300 Fc1cncc(c1)CSc2cccc(c2)Cl 62a_100000725299_100000699651 [0,2,0,0,0,0|1,0,0]=3 31021 B17R2.5300 Fc1cncc(c1)CSc2cccc(c2)F 62a_100000685547_100000725299 [0,2,0,0,0,0|1,0,0]=3 31022 B17R2.5300 Fc1cncc(c1)CSc2cccc(c2)F 62a_100000725299_100000685547 [0,2,0,0,0,0|1,0,0]=3 31023 B17R2.5300 Fc1cncc(c1)CSc2cccc(c2)[S] 62a_100000725299_114929384022 [0,2,0,0,0,0|1,0,0]=3 31024 B17R2.5300 Fc1cncc(c1)CSc2cccc(c2)[S] 62a_114929384022_100000725299 [0,2,0,0,0,0|1,0,0]=3 31025 B17R2.5300 Fc1cncc(c1)CSc2cccc(n2)Br 62a_100000684672_100000725299 [0,2,0,0,0,0|2,0,0]=4 31026 B17R2.5300 Fc1cncc(c1)CSc2cccc(n2)Br 62a_100000725299_100000684672 [0,2,0,0,0,0|2,0,0]=4 31027 B17R2.5300 Fc1cncc(c1)CSc2cccc(n2)Cl 62a_100000051397_100000725299 [0,2,0,0,0,0|2,0,0]=4 31028 B17R2.5300 Fc1cncc(c1)CSc2cccc(n2)Cl 62a_100000725299_100000051397 [0,2,0,0,0,0|2,0,0]=4 31029 B17R2.5300 Fc1cncc(c1)CSc2cccc(n2)F 62a_100000725299_100009815982 [0,2,0,0,0,0|2,0,0]=4 31030 B17R2.5300 Fc1cncc(c1)CSc2cccc(n2)F 62a_100009815982_100000725299 [0,2,0,0,0,0|2,0,0]=4 31031 B17R2.5300 Fc1cncc(c1)CSc2ccnc(c2)Br 62a_100000725299_100009814637 [0,2,0,0,0,0|2,0,0]=4 31032 B17R2.5300 Fc1cncc(c1)CSc2ccnc(c2)Br 62a_100009814637_100000725299 [0,2,0,0,0,0|2,0,0]=4 31033 B17R2.5300 Fc1cncc(c1)CSc2ccnc(c2)Cl 62a_100000035001_100000725299 [0,2,0,0,0,0|2,0,0]=4 31034 B17R2.5300 Fc1cncc(c1)CSc2ccnc(c2)Cl 62a_100000725299_100000035001 [0,2,0,0,0,0|2,0,0]=4 31035 B17R2.5300 Fc1cncc(c1)CSc2ccnc(c2)F 62a_100000725299_100009816116 [0,2,0,0,0,0|2,0,0]=4 31036 B17R2.5300 Fc1cncc(c1)CSc2ccnc(c2)F 62a_100009816116_100000725299 [0,2,0,0,0,0|2,0,0]=4 31037 B17R2.5300 Fc1cncc(c1)CSc2cncc(c2)Br 62a_100000725299_100000728054 [0,2,0,0,0,0|2,0,0]=4 31038 B17R2.5300 Fc1cncc(c1)CSc2cncc(c2)Br 62a_100000728054_100000725299 [0,2,0,0,0,0|2,0,0]=4 31039 B17R2.5300 Fc1cncc(c1)CSc2cncc(c2)Cl 62a_100000049639_100000725299 [0,2,0,0,0,0|2,0,0]=4 31040 B17R2.5300 Fc1cncc(c1)CSc2cncc(c2)Cl 62a_100000725299_100000049639 [0,2,0,0,0,0|2,0,0]=4 31041 B17R2.5300 Fc1cncc(c1)CSc2cncc(c2)F 62a_100000725299_100000744099 [0,2,0,0,0,0|2,0,0]=4 31042 B17R2.5300 Fc1cncc(c1)CSc2cncc(c2)F 62a_100000744099_100000725299 [0,2,0,0,0,0|2,0,0]=4 31043 B17R2.5300 Fc1cncc(c1)OCc2cccc(c2)Br 34a_100011830296_100000698116 [0,2,0,0,0,0|2,0,0]=4 31044 B17R2.5300 Fc1cncc(c1)OCc2cccc(c2)Br 7a_100011830296_100000211773 [0,2,0,0,0,0|2,0,0]=4 31045 B17R2.5300 Fc1cncc(c1)OCc2cccc(c2)Cl 34a_100011830296_100000187163 [0,2,0,0,0,0|2,0,0]=4 31046 B17R2.5300 Fc1cncc(c1)OCc2cccc(c2)Cl 7a_100011830296_100000187163 [0,2,0,0,0,0|2,0,0]=4 31047 B17R2.5300 Fc1cncc(c1)OCc2cccc(c2)I 34a_100011830296_100011218688 [0,2,0,0,0,0|2,0,0]=4 31048 B17R2.5300 Fc1cncc(c1)OCc2cccc(c2)I 7a_100011830296_100011218688 [0,2,0,0,0,0|2,0,0]=4 31049 B17R2.5300 Fc1cncc(c1)OCc2cncc(c2)Br 34a_100011830296_100000738771 [0,2,0,0,0,0|2,0,0]=4 31050 B17R2.5300 Fc1cncc(c1)OCc2cncc(c2)Br 7a_100011830296_100000738771 [0,2,0,0,0,0|2,0,0]=4 31051 B17R2.5300 Fc1cncc(c1)OCc2cncc(c2)Cl 34a_100011830296_100016992070 [0,2,0,0,0,0|2,0,0]=4 31052 B17R2.5300 Fc1cncc(c1)OCc2cncc(c2)Cl 7a_100011830296_100016992070 [0,2,0,0,0,0|2,0,0]=4 31053 B17R2.5300 Fc1cncc(c1)SCc2cccc(c2)Br 62a_100000211773_100000744099 [0,2,0,0,0,0|2,0,0]=4 31054 B17R2.5300 Fc1cncc(c1)SCc2cccc(c2)Br 62a_100000744099_100000211773 [0,2,0,0,0,0|2,0,0]=4 31055 B17R2.5300 Fc1cncc(c1)SCc2cccc(c2)Cl 62a_100000187163_100000744099 [0,2,0,0,0,0|2,0,0]=4 31056 B17R2.5300 Fc1cncc(c1)SCc2cccc(c2)Cl 62a_100000744099_100000187163 [0,2,0,0,0,0|2,0,0]=4 31057 B17R2.5300 Fc1cncc(c1)SCc2cccc(c2)I 62a_100000744099_100011218688 [0,2,0,0,0,0|2,0,0]=4 31058 B17R2.5300 Fc1cncc(c1)SCc2cccc(c2)I 62a_100011218688_100000744099 [0,2,0,0,0,0|2,0,0]=4 31059 B17R2.5300 Fc1cncc(c1)SCc2cncc(c2)Br 62a_100000738771_100000744099 [0,2,0,0,0,0|2,0,0]=4 31060 B17R2.5300 Fc1cncc(c1)SCc2cncc(c2)Br 62a_100000744099_100000738771 [0,2,0,0,0,0|2,0,0]=4 31061 B17R2.5300 Fc1cncc(c1)SCc2cncc(c2)Cl 62a_100000744099_100016992070 [0,2,0,0,0,0|2,0,0]=4 31062 B17R2.5300 Fc1cncc(c1)SCc2cncc(c2)Cl 62a_100016992070_100000744099 [0,2,0,0,0,0|2,0,0]=4 31063 B17R2.5300 Fc1cncc(n1)NCc2cncc(c2)Br 27a_100011249555_200009863489 [0,2,0,0,0,0|2,0,0]=4 31064 B17R2.5300 Fc1cncc(n1)NCc2cncc(c2)Cl 27a_200020614424_200009863489 [0,2,0,0,0,0|2,0,0]=4 31065 B17R2.5300 Ic1cccc(c1)CNc2cccc(c2)I 207a_100000211102_100000014684 [0,2,0,0,0,0|1,0,0]=3 31066 B17R2.5300 Ic1cccc(c1)CNc2cccc(c2)I 270302a_100000211102_100000014684 [0,2,0,0,0,0|1,0,0]=3 31067 B17R2.5300 Ic1cccc(c1)CNc2cccc(c2)I 34a_100000211102_100011218688 [0,2,0,0,0,0|1,0,0]=3 31068 B17R2.5300 Ic1cccc(c1)COc2cccc(c2)I 34a_100000211634_100011218688 [0,2,0,0,0,0|2,0,0]=4 31069 B17R2.5300 Ic1cccc(c1)COc2cccc(c2)I 7a_100000211634_100011218688 [0,2,0,0,0,0|2,0,0]=4 31070 B17R2.5300 Nc1cc(ccn1)OCc2cncc(c2)Br 34a_100011834064_100000738771 [0,2,0,0,0,0|2,0,0]=4 31071 B17R2.5300 Nc1cc(ccn1)OCc2cncc(c2)Cl 34a_100011834064_100016992070 [0,2,0,0,0,0|2,0,0]=4 31072 B17R2.5300 Nc1cc(ccn1)OCc2cncc(c2)F 34a_100011834064_100000725299 [0,2,0,0,0,0|2,0,0]=4 31073 B17R2.5300 Nc1cc(ccn1)SCc2cncc(c2)Br 62a_100000049665_100000738771 [0,2,0,0,0,0|2,0,0]=4 31074 B17R2.5300 Nc1cc(ccn1)SCc2cncc(c2)Br 62a_100000738771_100000049665 [0,2,0,0,0,0|2,0,0]=4 31075 B17R2.5300 Nc1cc(ccn1)SCc2cncc(c2)Cl 62a_100000049665_100016992070 [0,2,0,0,0,0|2,0,0]=4 31076 B17R2.5300 Nc1cc(ccn1)SCc2cncc(c2)Cl 62a_100016992070_100000049665 [0,2,0,0,0,0|2,0,0]=4 31077 B17R2.5300 Nc1cc(ccn1)SCc2cncc(c2)F 62a_100000049665_100000725299 [0,2,0,0,0,0|2,0,0]=4 31078 B17R2.5300 Nc1cc(ccn1)SCc2cncc(c2)F 62a_100000725299_100000049665 [0,2,0,0,0,0|2,0,0]=4 31079 B17R2.5300 Nc1cc(ncn1)NCc2cncc(c2)Br 27a_100011249555_100000701291 [0,2,0,0,0,0|2,0,0]=4 31080 B17R2.5300 Nc1cc(ncn1)NCc2cncc(c2)Cl 27a_200020614424_100000701291 [0,2,0,0,0,0|2,0,0]=4 31081 B17R2.5300 Nc1cc(ncn1)NCc2cncc(c2)F 27a_100011962886_100000701291 [0,2,0,0,0,0|2,0,0]=4 31082 B17R2.5300 Nc1cccc(c1)OCc2cccc(c2)Br 34a_100000210217_100000698116 [0,2,0,0,0,0|2,0,0]=4 31083 B17R2.5300 Nc1cccc(c1)OCc2cccc(c2)Cl 34a_100000210217_100000187163 [0,2,0,0,0,0|2,0,0]=4 31084 B17R2.5300 Nc1cccc(c1)OCc2cccc(c2)F 34a_100000210217_100000187166 [0,2,0,0,0,0|2,0,0]=4 31085 B17R2.5300 Nc1cccc(c1)OCc2cccc(c2)I 34a_100000210217_100011218688 [0,2,0,0,0,0|2,0,0]=4 31086 B17R2.5300 Nc1cccc(c1)OCc2cccc(c2)O 34a_100000210217_100011660834 [0,2,0,0,0,0|2,0,0]=4 31087 B17R2.5300 Nc1cccc(c1)OCc2cncc(c2)Br 34a_100000210217_100000738771 [0,2,0,0,0,0|1,0,0]=3 31088 B17R2.5300 Nc1cccc(c1)OCc2cncc(c2)Cl 34a_100000210217_100016992070 [0,2,0,0,0,0|1,0,0]=3 31089 B17R2.5300 Nc1cccc(c1)OCc2cncc(c2)F 34a_100000210217_100000725299 [0,2,0,0,0,0|1,0,0]=3 31090 B17R2.5300 Nc1cccc(c1)SCc2cccc(c2)Br 62a_100000210019_100000211773 [0,2,0,0,0,0|2,0,0]=4 31091 B17R2.5300 Nc1cccc(c1)SCc2cccc(c2)Br 62a_100000211773_100000210019 [0,2,0,0,0,0|2,0,0]=4 31092 B17R2.5300 Nc1cccc(c1)SCc2cccc(c2)Cl 62a_100000187163_100000210019 [0,2,0,0,0,0|2,0,0]=4 31093 B17R2.5300 Nc1cccc(c1)SCc2cccc(c2)Cl 62a_100000210019_100000187163 [0,2,0,0,0,0|2,0,0]=4 31094 B17R2.5300 Nc1cccc(c1)SCc2cccc(c2)F 62a_100000210019_100000230114 [0,2,0,0,0,0|2,0,0]=4 31095 B17R2.5300 Nc1cccc(c1)SCc2cccc(c2)F 62a_100000230114_100000210019 [0,2,0,0,0,0|2,0,0]=4 31096 B17R2.5300 Nc1cccc(c1)SCc2cccc(c2)I 62a_100000210019_100011218688 [0,2,0,0,0,0|2,0,0]=4 31097 B17R2.5300 Nc1cccc(c1)SCc2cccc(c2)I 62a_100011218688_100000210019 [0,2,0,0,0,0|2,0,0]=4 31098 B17R2.5300 Nc1cccc(c1)SCc2cccc(c2)O 62a_100000210019_100011660834 [0,2,0,0,0,0|2,0,0]=4 31099 B17R2.5300 Nc1cccc(c1)SCc2cccc(c2)O 62a_100011660834_100000210019 [0,2,0,0,0,0|2,0,0]=4 31100 B17R2.5300 Nc1cccc(c1)SCc2cncc(c2)Br 62a_100000210019_100000738771 [0,2,0,0,0,0|1,0,0]=3 31101 B17R2.5300 Nc1cccc(c1)SCc2cncc(c2)Br 62a_100000738771_100000210019 [0,2,0,0,0,0|1,0,0]=3 31102 B17R2.5300 Nc1cccc(c1)SCc2cncc(c2)Cl 62a_100000210019_100016992070 [0,2,0,0,0,0|1,0,0]=3 31103 B17R2.5300 Nc1cccc(c1)SCc2cncc(c2)Cl 62a_100016992070_100000210019 [0,2,0,0,0,0|1,0,0]=3 31104 B17R2.5300 Nc1cccc(c1)SCc2cncc(c2)F 62a_100000210019_100000725299 [0,2,0,0,0,0|1,0,0]=3 31105 B17R2.5300 Nc1cccc(c1)SCc2cncc(c2)F 62a_100000725299_100000210019 [0,2,0,0,0,0|1,0,0]=3 31106 B17R2.5300 Nc1cccc(n1)SCc2cncc(c2)Br 62a_100000738771_100000740741 [0,2,0,0,0,0|2,0,0]=4 31107 B17R2.5300 Nc1cccc(n1)SCc2cncc(c2)Br 62a_100000740741_100000738771 [0,2,0,0,0,0|2,0,0]=4 31108 B17R2.5300 Nc1cccc(n1)SCc2cncc(c2)Cl 62a_100000740741_100016992070 [0,2,0,0,0,0|2,0,0]=4 31109 B17R2.5300 Nc1cccc(n1)SCc2cncc(c2)Cl 62a_100016992070_100000740741 [0,2,0,0,0,0|2,0,0]=4 31110 B17R2.5300 Nc1cccc(n1)SCc2cncc(c2)F 62a_100000725299_100000740741 [0,2,0,0,0,0|2,0,0]=4 31111 B17R2.5300 Nc1cccc(n1)SCc2cncc(c2)F 62a_100000740741_100000725299 [0,2,0,0,0,0|2,0,0]=4 31112 B17R2.5300 Nc1ccnc(c1)SCc2cncc(c2)Br 62a_100000738771_100009814236 [0,2,0,0,0,0|2,0,0]=4 31113 B17R2.5300 Nc1ccnc(c1)SCc2cncc(c2)Br 62a_100009814236_100000738771 [0,2,0,0,0,0|2,0,0]=4 31114 B17R2.5300 Nc1ccnc(c1)SCc2cncc(c2)Cl 62a_100009814236_100016992070 [0,2,0,0,0,0|2,0,0]=4 31115 B17R2.5300 Nc1ccnc(c1)SCc2cncc(c2)Cl 62a_100016992070_100009814236 [0,2,0,0,0,0|2,0,0]=4 31116 B17R2.5300 Nc1ccnc(c1)SCc2cncc(c2)F 62a_100000725299_100009814236 [0,2,0,0,0,0|2,0,0]=4 31117 B17R2.5300 Nc1ccnc(c1)SCc2cncc(c2)F 62a_100009814236_100000725299 [0,2,0,0,0,0|2,0,0]=4 31118 B17R2.5300 Nc1ccnc(n1)NCc2cncc(c2)Br 27a_100011249555_100000757536 [0,2,0,0,0,0|2,0,0]=4 31119 B17R2.5300 Nc1ccnc(n1)NCc2cncc(c2)Cl 27a_200020614424_100000757536 [0,2,0,0,0,0|2,0,0]=4 31120 B17R2.5300 Nc1ccnc(n1)NCc2cncc(c2)F 27a_100011962886_100000757536 [0,2,0,0,0,0|2,0,0]=4 31121 B17R2.5300 Nc1cncc(c1)C=Cc2cccc(c2)Cl 271570a_100102525933_100000687067 [0,2,0,0,0,0|1,0,1]=4 31122 B17R2.5300 Nc1cncc(c1)C=Cc2cccc(c2)F 271570a_100102525537_100000687067 [0,2,0,0,0,0|1,0,1]=4 31123 B17R2.5300 Nc1cncc(c1)OCc2cccc(c2)Br 34a_100011997051_100000698116 [0,2,0,0,0,0|2,0,0]=4 31124 B17R2.5300 Nc1cncc(c1)OCc2cccc(c2)Cl 34a_100011997051_100000187163 [0,2,0,0,0,0|2,0,0]=4 31125 B17R2.5300 Nc1cncc(c1)OCc2cccc(c2)F 34a_100011997051_100000187166 [0,2,0,0,0,0|2,0,0]=4 31126 B17R2.5300 Nc1cncc(c1)OCc2cccc(c2)I 34a_100011997051_100011218688 [0,2,0,0,0,0|2,0,0]=4 31127 B17R2.5300 Nc1cncc(c1)OCc2cccc(c2)O 34a_100011997051_100011660834 [0,2,0,0,0,0|2,0,0]=4 31128 B17R2.5300 Nc1cncc(c1)OCc2cncc(c2)Br 34a_100011997051_100000738771 [0,2,0,0,0,0|2,0,0]=4 31129 B17R2.5300 Nc1cncc(c1)OCc2cncc(c2)Cl 34a_100011997051_100016992070 [0,2,0,0,0,0|2,0,0]=4 31130 B17R2.5300 Nc1cncc(c1)OCc2cncc(c2)F 34a_100011997051_100000725299 [0,2,0,0,0,0|2,0,0]=4 31131 B17R2.5300 Nc1cncc(c1)SCc2cccc(c2)Br 62a_100000211773_100000687067 [0,2,0,0,0,0|2,0,0]=4 31132 B17R2.5300 Nc1cncc(c1)SCc2cccc(c2)Br 62a_100000687067_100000211773 [0,2,0,0,0,0|2,0,0]=4 31133 B17R2.5300 Nc1cncc(c1)SCc2cccc(c2)Cl 62a_100000187163_100000687067 [0,2,0,0,0,0|2,0,0]=4 31134 B17R2.5300 Nc1cncc(c1)SCc2cccc(c2)Cl 62a_100000687067_100000187163 [0,2,0,0,0,0|2,0,0]=4 31135 B17R2.5300 Nc1cncc(c1)SCc2cccc(c2)F 62a_100000230114_100000687067 [0,2,0,0,0,0|2,0,0]=4 31136 B17R2.5300 Nc1cncc(c1)SCc2cccc(c2)F 62a_100000687067_100000230114 [0,2,0,0,0,0|2,0,0]=4 31137 B17R2.5300 Nc1cncc(c1)SCc2cccc(c2)I 62a_100000687067_100011218688 [0,2,0,0,0,0|2,0,0]=4 31138 B17R2.5300 Nc1cncc(c1)SCc2cccc(c2)I 62a_100011218688_100000687067 [0,2,0,0,0,0|2,0,0]=4 31139 B17R2.5300 Nc1cncc(c1)SCc2cccc(c2)O 62a_100000687067_100011660834 [0,2,0,0,0,0|2,0,0]=4 31140 B17R2.5300 Nc1cncc(c1)SCc2cccc(c2)O 62a_100011660834_100000687067 [0,2,0,0,0,0|2,0,0]=4 31141 B17R2.5300 Nc1cncc(c1)SCc2cncc(c2)Br 62a_100000687067_100000738771 [0,2,0,0,0,0|2,0,0]=4 31142 B17R2.5300 Nc1cncc(c1)SCc2cncc(c2)Br 62a_100000738771_100000687067 [0,2,0,0,0,0|2,0,0]=4 31143 B17R2.5300 Nc1cncc(c1)SCc2cncc(c2)Cl 62a_100000687067_100016992070 [0,2,0,0,0,0|2,0,0]=4 31144 B17R2.5300 Nc1cncc(c1)SCc2cncc(c2)Cl 62a_100016992070_100000687067 [0,2,0,0,0,0|2,0,0]=4 31145 B17R2.5300 Nc1cncc(c1)SCc2cncc(c2)F 62a_100000687067_100000725299 [0,2,0,0,0,0|2,0,0]=4 31146 B17R2.5300 Nc1cncc(c1)SCc2cncc(c2)F 62a_100000725299_100000687067 [0,2,0,0,0,0|2,0,0]=4 31147 B17R2.5300 Nc1nccc(n1)NCc2cncc(c2)Br 27a_100011249555_100000055538 [0,2,0,0,0,0|2,0,0]=4 31148 B17R2.5300 Nc1nccc(n1)NCc2cncc(c2)Cl 27a_200020614424_100000055538 [0,2,0,0,0,0|2,0,0]=4 31149 B17R2.5300 Nc1nccc(n1)NCc2cncc(c2)F 27a_100011962886_100000055538 [0,2,0,0,0,0|2,0,0]=4 31150 B17R2.5300 O=c1cc(cc[nH]1)NCc2cccc(c2)Br 27a_100000174977_100000061649 [0,2,0,0,0,0|2,0,0]=4 31151 B17R2.5300 O=c1cc(cc[nH]1)NCc2cccc(c2)Cl 27a_100000174878_100000061649 [0,2,0,0,0,0|2,0,0]=4 31152 B17R2.5300 O=c1cc(cc[nH]1)NCc2cccc(c2)F 27a_100000174948_100000061649 [0,2,0,0,0,0|2,0,0]=4 31153 B17R2.5300 O=c1cc(cc[nH]1)NCc2cccc(c2)I 27a_100000106179_100000061649 [0,2,0,0,0,0|2,0,0]=4 31154 B17R2.5300 O=c1cc(cc[nH]1)NCc2cccc(c2)O 27a_100000743036_100000061649 [0,2,0,0,0,0|2,0,0]=4 31155 B17R2.5300 O=c1cc(cc[nH]1)NCc2cncc(c2)Br 27a_100011249555_100000061649 [0,2,0,0,0,0|1,0,0]=3 31156 B17R2.5300 O=c1cc(cc[nH]1)NCc2cncc(c2)Cl 27a_200020614424_100000061649 [0,2,0,0,0,0|1,0,0]=3 31157 B17R2.5300 O=c1cc(cc[nH]1)NCc2cncc(c2)F 27a_100011962886_100000061649 [0,2,0,0,0,0|1,0,0]=3 31158 B17R2.5300 O=c1cc(cc[nH]1)OCc2cncc(c2)Br 34a_100000032262_100000738771 [0,2,0,0,0,0|2,0,0]=4 31159 B17R2.5300 O=c1cc(cc[nH]1)OCc2cncc(c2)Cl 34a_100000032262_100016992070 [0,2,0,0,0,0|2,0,0]=4 31160 B17R2.5300 O=c1cc(cc[nH]1)OCc2cncc(c2)F 34a_100000032262_100000725299 [0,2,0,0,0,0|2,0,0]=4 31161 B17R2.5300 O=c1cc(cc[nH]1)SCc2cncc(c2)Br 62a_100000738771_100009816521 [0,2,0,0,0,0|2,0,0]=4 31162 B17R2.5300 O=c1cc(cc[nH]1)SCc2cncc(c2)Br 62a_100009816521_100000738771 [0,2,0,0,0,0|2,0,0]=4 31163 B17R2.5300 O=c1cc(cc[nH]1)SCc2cncc(c2)Cl 62a_100009816521_100016992070 [0,2,0,0,0,0|2,0,0]=4 31164 B17R2.5300 O=c1cc(cc[nH]1)SCc2cncc(c2)Cl 62a_100016992070_100009816521 [0,2,0,0,0,0|2,0,0]=4 31165 B17R2.5300 O=c1cc(cc[nH]1)SCc2cncc(c2)F 62a_100000725299_100009816521 [0,2,0,0,0,0|2,0,0]=4 31166 B17R2.5300 O=c1cc(cc[nH]1)SCc2cncc(c2)F 62a_100009816521_100000725299 [0,2,0,0,0,0|2,0,0]=4 31167 B17R2.5300 O=c1cc[nH]c(c1)SCc2cncc(c2)Br 62a_100009817434_100000738771 [0,2,0,0,0,0|2,0,0]=4 31168 B17R2.5300 O=c1cc[nH]c(c1)SCc2cncc(c2)Cl 62a_100009817434_100016992070 [0,2,0,0,0,0|2,0,0]=4 31169 B17R2.5300 O=c1cc[nH]c(c1)SCc2cncc(c2)F 62a_100009817434_100000725299 [0,2,0,0,0,0|2,0,0]=4 31170 B17R2.5300 O=c1cccc([nH]1)CNc2cccc(c2)Br 207a_100000210019_100011935257 [0,2,0,0,0,0|2,0,0]=4 31171 B17R2.5300 O=c1cccc([nH]1)CNc2cccc(c2)Cl 207a_100000185859_100011935257 [0,2,0,0,0,0|2,0,0]=4 31172 B17R2.5300 O=c1cccc([nH]1)CNc2cccc(c2)F 207a_100000210047_100011935257 [0,2,0,0,0,0|2,0,0]=4 31173 B17R2.5300 O=c1cccc([nH]1)CNc2cccc(c2)I 207a_100000211102_100011935257 [0,2,0,0,0,0|2,0,0]=4 31174 B17R2.5300 O=c1cccc([nH]1)OCc2cncc(c2)Br 34a_100000033347_100000738771 [0,2,0,0,0,0|2,0,0]=4 31175 B17R2.5300 O=c1cccc([nH]1)OCc2cncc(c2)Cl 34a_100000033347_100016992070 [0,2,0,0,0,0|2,0,0]=4 31176 B17R2.5300 O=c1cccc([nH]1)OCc2cncc(c2)F 34a_100000033347_100000725299 [0,2,0,0,0,0|2,0,0]=4 31177 B17R2.5300 O=c1cccc([nH]1)SCc2cncc(c2)Br 62a_100000738771_100000752884 [0,2,0,0,0,0|2,0,0]=4 31178 B17R2.5300 O=c1cccc([nH]1)SCc2cncc(c2)Cl 62a_100016992070_100000752884 [0,2,0,0,0,0|2,0,0]=4 31179 B17R2.5300 O=c1cccc([nH]1)SCc2cncc(c2)F 62a_100000725299_100000752884 [0,2,0,0,0,0|2,0,0]=4 31180 B17R2.5300 O=c1nc(cc[nH]1)NCc2cncc(c2)Br 27a_100011249555_200000134032 [0,2,0,0,0,0|2,0,0]=4 31181 B17R2.5300 O=c1nc(cc[nH]1)NCc2cncc(c2)Cl 27a_200020614424_200000134032 [0,2,0,0,0,0|2,0,0]=4 31182 B17R2.5300 O=c1nc(cc[nH]1)NCc2cncc(c2)F 27a_100011962886_200000134032 [0,2,0,0,0,0|2,0,0]=4 31183 B17R2.5300 Oc1cc(ccn1)CNc2cccc(c2)Br 207a_100000210019_100000688113 [0,2,0,0,0,0|2,0,0]=4 31184 B17R2.5300 Oc1cc(ccn1)CNc2cccc(c2)Cl 207a_100000185859_100000688113 [0,2,0,0,0,0|2,0,0]=4 31185 B17R2.5300 Oc1cc(ccn1)CNc2cccc(c2)F 207a_100000210047_100000688113 [0,2,0,0,0,0|2,0,0]=4 31186 B17R2.5300 Oc1cc(ccn1)CNc2cccc(c2)I 207a_100000211102_100000688113 [0,2,0,0,0,0|2,0,0]=4 31187 B17R2.5300 Oc1cc(ncn1)NCc2cncc(c2)Br 27a_100011249555_100000765262 [0,2,0,0,0,0|2,0,0]=4 31188 B17R2.5300 Oc1cc(ncn1)NCc2cncc(c2)Cl 27a_200020614424_100000765262 [0,2,0,0,0,0|2,0,0]=4 31189 B17R2.5300 Oc1cc(ncn1)NCc2cncc(c2)F 27a_100011962886_100000765262 [0,2,0,0,0,0|2,0,0]=4 31190 B17R2.5300 Oc1cccc(c1)CNc2cc(ccn2)F 27a_100000743036_100000764206 [0,2,0,0,0,0|2,0,0]=4 31191 B17R2.5300 Oc1cccc(c1)CNc2cccc(c2)Br 207a_100000210019_100000188321 [0,2,0,0,0,0|1,0,0]=3 31192 B17R2.5300 Oc1cccc(c1)CNc2cccc(c2)Br 34a_100000210019_100011660834 [0,2,0,0,0,0|1,0,0]=3 31193 B17R2.5300 Oc1cccc(c1)CNc2cccc(c2)Cl 207a_100000185859_100000188321 [0,2,0,0,0,0|1,0,0]=3 31194 B17R2.5300 Oc1cccc(c1)CNc2cccc(c2)Cl 34a_100000185859_100011660834 [0,2,0,0,0,0|1,0,0]=3 31195 B17R2.5300 Oc1cccc(c1)CNc2cccc(c2)F 207a_100000210047_100000188321 [0,2,0,0,0,0|1,0,0]=3 31196 B17R2.5300 Oc1cccc(c1)CNc2cccc(c2)F 34a_100000210047_100011660834 [0,2,0,0,0,0|1,0,0]=3 31197 B17R2.5300 Oc1cccc(c1)CNc2cccc(c2)I 207a_100000211102_100000188321 [0,2,0,0,0,0|1,0,0]=3 31198 B17R2.5300 Oc1cccc(c1)CNc2cccc(c2)I 34a_100000211102_100011660834 [0,2,0,0,0,0|1,0,0]=3 31199 B17R2.5300 Oc1cccc(c1)CNc2cccc(c2)O 34a_100000210217_100011660834 [0,2,0,0,0,0|1,0,0]=3 31200 B17R2.5300 Oc1cccc(c1)CNc2cccc(n2)F 27a_100000743036_100009815982 [0,2,0,0,0,0|2,0,0]=4 31201 B17R2.5300 Oc1cccc(c1)CNc2ccnc(c2)F 27a_100000743036_100009816116 [0,2,0,0,0,0|2,0,0]=4 31202 B17R2.5300 Oc1cccc(c1)COc2cccc(c2)Br 34a_100000210342_100011660834 [0,2,0,0,0,0|2,0,0]=4 31203 B17R2.5300 Oc1cccc(c1)COc2cccc(c2)Br 7a_100000210342_100000084143 [0,2,0,0,0,0|2,0,0]=4 31204 B17R2.5300 Oc1cccc(c1)COc2cccc(c2)Cl 34a_100000210295_100011660834 [0,2,0,0,0,0|2,0,0]=4 31205 B17R2.5300 Oc1cccc(c1)COc2cccc(c2)Cl 7a_100000210295_100000084143 [0,2,0,0,0,0|2,0,0]=4 31206 B17R2.5300 Oc1cccc(c1)COc2cccc(c2)F 34a_100000210426_100011660834 [0,2,0,0,0,0|2,0,0]=4 31207 B17R2.5300 Oc1cccc(c1)COc2cccc(c2)F 7a_100000210426_100000084143 [0,2,0,0,0,0|2,0,0]=4 31208 B17R2.5300 Oc1cccc(c1)COc2cccc(c2)I 34a_100000211634_100011660834 [0,2,0,0,0,0|2,0,0]=4 31209 B17R2.5300 Oc1cccc(c1)COc2cccc(c2)I 7a_100000211634_100000084143 [0,2,0,0,0,0|2,0,0]=4 31210 B17R2.5300 Oc1cccc(c1)COc2cncc(c2)Br 34a_100000754920_100011660834 [0,2,0,0,0,0|2,0,0]=4 31211 B17R2.5300 Oc1cccc(c1)COc2cncc(c2)Br 7a_100000754920_100000084143 [0,2,0,0,0,0|2,0,0]=4 31212 B17R2.5300 Oc1cccc(c1)COc2cncc(c2)Cl 7a_100000032511_100000084143 [0,2,0,0,0,0|2,0,0]=4 31213 B17R2.5300 Oc1cccc(c1)COc2cncc(c2)F 34a_100011830296_100011660834 [0,2,0,0,0,0|2,0,0]=4 31214 B17R2.5300 Oc1cccc(c1)COc2cncc(c2)F 7a_100011830296_100000084143 [0,2,0,0,0,0|2,0,0]=4 31215 B17R2.5300 Oc1cccc(c1)CSc2cccc(c2)Br 62a_100000691529_100011660834 [0,2,0,0,0,0|2,0,0]=4 31216 B17R2.5300 Oc1cccc(c1)CSc2cccc(c2)Br 62a_100011660834_100000691529 [0,2,0,0,0,0|2,0,0]=4 31217 B17R2.5300 Oc1cccc(c1)CSc2cccc(c2)Cl 62a_100000699651_100011660834 [0,2,0,0,0,0|2,0,0]=4 31218 B17R2.5300 Oc1cccc(c1)CSc2cccc(c2)Cl 62a_100011660834_100000699651 [0,2,0,0,0,0|2,0,0]=4 31219 B17R2.5300 Oc1cccc(c1)CSc2cccc(c2)F 62a_100000685547_100011660834 [0,2,0,0,0,0|2,0,0]=4 31220 B17R2.5300 Oc1cccc(c1)CSc2cccc(c2)F 62a_100011660834_100000685547 [0,2,0,0,0,0|2,0,0]=4 31221 B17R2.5300 Oc1cccc(c1)CSc2cccc(c2)O 62a_100011660834_100000211634 [0,2,0,0,0,0|2,0,0]=4 31222 B17R2.5300 Oc1cccc(c1)CSc2cccc(c2)[S] 62a_100011660834_114929384022 [0,2,0,0,0,0|2,0,0]=4 31223 B17R2.5300 Oc1cccc(c1)CSc2cccc(c2)[S] 62a_114929384022_100011660834 [0,2,0,0,0,0|2,0,0]=4 31224 B17R2.5300 Oc1cccc(c1)CSc2cncc(c2)Br 62a_100000728054_100011660834 [0,2,0,0,0,0|2,0,0]=4 31225 B17R2.5300 Oc1cccc(c1)CSc2cncc(c2)Br 62a_100011660834_100000728054 [0,2,0,0,0,0|2,0,0]=4 31226 B17R2.5300 Oc1cccc(c1)CSc2cncc(c2)Cl 62a_100000049639_100011660834 [0,2,0,0,0,0|2,0,0]=4 31227 B17R2.5300 Oc1cccc(c1)CSc2cncc(c2)Cl 62a_100011660834_100000049639 [0,2,0,0,0,0|2,0,0]=4 31228 B17R2.5300 Oc1cccc(c1)CSc2cncc(c2)F 62a_100000744099_100011660834 [0,2,0,0,0,0|2,0,0]=4 31229 B17R2.5300 Oc1cccc(c1)CSc2cncc(c2)F 62a_100011660834_100000744099 [0,2,0,0,0,0|2,0,0]=4 31230 B17R2.5300 Oc1cccc(c1)CSc2cncc(c2)O 62a_100000754920_100011660834 [0,2,0,0,0,0|2,0,0]=4 31231 B17R2.5300 Oc1cccc(c1)CSc2cncc(c2)O 62a_100011660834_100000754920 [0,2,0,0,0,0|2,0,0]=4 31232 B17R2.5300 Oc1cccc(c1)NCc2cc(ccn2)Br 34a_100000210217_100010173614 [0,2,0,0,0,0|2,0,0]=4 31233 B17R2.5300 Oc1cccc(c1)NCc2cc(ccn2)Cl 34a_100000210217_100016988179 [0,2,0,0,0,0|2,0,0]=4 31234 B17R2.5300 Oc1cccc(c1)NCc2cccc(c2)Br 270302a_100000210217_100000210085 [0,2,0,0,0,0|1,0,0]=3 31235 B17R2.5300 Oc1cccc(c1)NCc2cccc(c2)Br 34a_100000210217_100000698116 [0,2,0,0,0,0|1,0,0]=3 31236 B17R2.5300 Oc1cccc(c1)NCc2cccc(c2)Cl 270302a_100000210217_100000210801 [0,2,0,0,0,0|1,0,0]=3 31237 B17R2.5300 Oc1cccc(c1)NCc2cccc(c2)Cl 34a_100000210217_100000187163 [0,2,0,0,0,0|1,0,0]=3 31238 B17R2.5300 Oc1cccc(c1)NCc2cccc(c2)F 270302a_100000210217_100000210812 [0,2,0,0,0,0|1,0,0]=3 31239 B17R2.5300 Oc1cccc(c1)NCc2cccc(c2)F 34a_100000210217_100000187166 [0,2,0,0,0,0|1,0,0]=3 31240 B17R2.5300 Oc1cccc(c1)NCc2cccc(c2)I 270302a_100000210217_100000014684 [0,2,0,0,0,0|1,0,0]=3 31241 B17R2.5300 Oc1cccc(c1)NCc2cccc(c2)I 34a_100000210217_100011218688 [0,2,0,0,0,0|1,0,0]=3 31242 B17R2.5300 Oc1cccc(c1)NCc2cccc(n2)Br 34a_100000210217_100009889011 [0,2,0,0,0,0|2,0,0]=4 31243 B17R2.5300 Oc1cccc(c1)NCc2cccc(n2)Cl 34a_100000210217_100000086093 [0,2,0,0,0,0|2,0,0]=4 31244 B17R2.5300 Oc1cccc(c1)NCc2cccc(n2)F 34a_100000210217_100009819644 [0,2,0,0,0,0|2,0,0]=4 31245 B17R2.5300 Oc1cccc(c1)NCc2ccnc(c2)Br 34a_100000210217_100010243470 [0,2,0,0,0,0|2,0,0]=4 31246 B17R2.5300 Oc1cccc(c1)NCc2ccnc(c2)Cl 34a_100000210217_100000764220 [0,2,0,0,0,0|2,0,0]=4 31247 B17R2.5300 Oc1cccc(c1)NCc2cncc(c2)Br 270302a_100000210217_100000687066 [0,2,0,0,0,0|0,0,0]=2 31248 B17R2.5300 Oc1cccc(c1)NCc2cncc(c2)Br 34a_100000210217_100000738771 [0,2,0,0,0,0|0,0,0]=2 31249 B17R2.5300 Oc1cccc(c1)NCc2cncc(c2)Cl 270302a_100000210217_100000088910 [0,2,0,0,0,0|0,0,0]=2 31250 B17R2.5300 Oc1cccc(c1)NCc2cncc(c2)Cl 34a_100000210217_100016992070 [0,2,0,0,0,0|0,0,0]=2 31251 B17R2.5300 Oc1cccc(c1)NCc2cncc(c2)F 270302a_100000210217_100011361476 [0,2,0,0,0,0|0,0,0]=2 31252 B17R2.5300 Oc1cccc(c1)NCc2cncc(c2)F 34a_100000210217_100000725299 [0,2,0,0,0,0|0,0,0]=2 31253 B17R2.5300 Oc1cccc(c1)OCc2cccc(c2)F 271570a_203496583355_200000151847 [0,2,0,0,0,0|2,0,0]=4 31254 B17R2.5300 Oc1cccc(c1)SCc2cccc(c2)Br 62a_100000211773_100000211634 [0,2,0,0,0,0|2,0,0]=4 31255 B17R2.5300 Oc1cccc(c1)SCc2cccc(c2)Cl 62a_100000187163_100000211634 [0,2,0,0,0,0|2,0,0]=4 31256 B17R2.5300 Oc1cccc(c1)SCc2cccc(c2)F 62a_100000230114_100000211634 [0,2,0,0,0,0|2,0,0]=4 31257 B17R2.5300 Oc1cccc(c1)SCc2cccc(c2)I 62a_100011218688_100000211634 [0,2,0,0,0,0|2,0,0]=4 31258 B17R2.5300 Oc1cccc(c1)SCc2cncc(c2)Br 62a_100000738771_100000211634 [0,2,0,0,0,0|1,0,0]=3 31259 B17R2.5300 Oc1cccc(c1)SCc2cncc(c2)Cl 62a_100016992070_100000211634 [0,2,0,0,0,0|1,0,0]=3 31260 B17R2.5300 Oc1cccc(c1)SCc2cncc(c2)F 62a_100000725299_100000211634 [0,2,0,0,0,0|1,0,0]=3 31261 B17R2.5300 Oc1cccc(n1)NCc2cccc(c2)F 271570a_203496583355_100011960488 [0,2,0,0,0,0|2,0,0]=4 31262 B17R2.5300 Oc1ccnc(c1)SCc2cncc(c2)Br 62a_100000738771_100000762945 [0,2,0,0,0,0|2,0,0]=4 31263 B17R2.5300 Oc1ccnc(c1)SCc2cncc(c2)Cl 62a_100016992070_100000762945 [0,2,0,0,0,0|2,0,0]=4 31264 B17R2.5300 Oc1ccnc(c1)SCc2cncc(c2)F 62a_100000725299_100000762945 [0,2,0,0,0,0|2,0,0]=4 31265 B17R2.5300 Oc1ccnc(n1)NCc2cncc(c2)Br 27a_100011249555_100011649813 [0,2,0,0,0,0|2,0,0]=4 31266 B17R2.5300 Oc1ccnc(n1)NCc2cncc(c2)Cl 27a_200020614424_100011649813 [0,2,0,0,0,0|2,0,0]=4 31267 B17R2.5300 Oc1ccnc(n1)NCc2cncc(c2)F 27a_100011962886_100011649813 [0,2,0,0,0,0|2,0,0]=4 31268 B17R2.5300 Oc1cncc(c1)C=Cc2cccc(c2)Cl 271570a_100102525933_100000754920 [0,2,0,0,0,0|1,0,1]=4 31269 B17R2.5300 Oc1cncc(c1)C=Cc2cccc(c2)F 271570a_100102525537_100000754920 [0,2,0,0,0,0|1,0,1]=4 31270 B17R2.5300 Oc1cncc(c1)CNc2cccc(c2)Br 207a_100000210019_100012187055 [0,2,0,0,0,0|0,0,0]=2 31271 B17R2.5300 Oc1cncc(c1)CNc2cccc(c2)Cl 207a_100000185859_100012187055 [0,2,0,0,0,0|0,0,0]=2 31272 B17R2.5300 Oc1cncc(c1)CNc2cccc(c2)F 207a_100000210047_100012187055 [0,2,0,0,0,0|0,0,0]=2 31273 B17R2.5300 Oc1cncc(c1)CNc2cccc(c2)I 207a_100000211102_100012187055 [0,2,0,0,0,0|0,0,0]=2 31274 B17R2.5300 Oc1cncc(c1)SCc2cccc(c2)Br 62a_100000211773_100000754920 [0,2,0,0,0,0|2,0,0]=4 31275 B17R2.5300 Oc1cncc(c1)SCc2cccc(c2)Br 62a_100000754920_100000211773 [0,2,0,0,0,0|2,0,0]=4 31276 B17R2.5300 Oc1cncc(c1)SCc2cccc(c2)Cl 62a_100000187163_100000754920 [0,2,0,0,0,0|2,0,0]=4 31277 B17R2.5300 Oc1cncc(c1)SCc2cccc(c2)Cl 62a_100000754920_100000187163 [0,2,0,0,0,0|2,0,0]=4 31278 B17R2.5300 Oc1cncc(c1)SCc2cccc(c2)F 62a_100000230114_100000754920 [0,2,0,0,0,0|2,0,0]=4 31279 B17R2.5300 Oc1cncc(c1)SCc2cccc(c2)F 62a_100000754920_100000230114 [0,2,0,0,0,0|2,0,0]=4 31280 B17R2.5300 Oc1cncc(c1)SCc2cccc(c2)I 62a_100000754920_100011218688 [0,2,0,0,0,0|2,0,0]=4 31281 B17R2.5300 Oc1cncc(c1)SCc2cccc(c2)I 62a_100011218688_100000754920 [0,2,0,0,0,0|2,0,0]=4 31282 B17R2.5300 Oc1cncc(c1)SCc2cncc(c2)Br 62a_100000738771_100000754920 [0,2,0,0,0,0|2,0,0]=4 31283 B17R2.5300 Oc1cncc(c1)SCc2cncc(c2)Br 62a_100000754920_100000738771 [0,2,0,0,0,0|2,0,0]=4 31284 B17R2.5300 Oc1cncc(c1)SCc2cncc(c2)Cl 62a_100000754920_100016992070 [0,2,0,0,0,0|2,0,0]=4 31285 B17R2.5300 Oc1cncc(c1)SCc2cncc(c2)Cl 62a_100016992070_100000754920 [0,2,0,0,0,0|2,0,0]=4 31286 B17R2.5300 Oc1cncc(c1)SCc2cncc(c2)F 62a_100000725299_100000754920 [0,2,0,0,0,0|2,0,0]=4 31287 B17R2.5300 Oc1cncc(c1)SCc2cncc(c2)F 62a_100000754920_100000725299 [0,2,0,0,0,0|2,0,0]=4 31288 B17R2.5300 [O-][n+]1cccc(c1)OCc2cncc(c2)Br 34a_100000039713_100000738771 [0,2,0,0,0,0|2,0,0]=4 31289 B17R2.5300 [O-][n+]1cccc(c1)OCc2cncc(c2)Br 7a_100000039713_100000738771 [0,2,0,0,0,0|2,0,0]=4 31290 B17R2.5300 [O-][n+]1cccc(c1)OCc2cncc(c2)Cl 34a_100000039713_100016992070 [0,2,0,0,0,0|2,0,0]=4 31291 B17R2.5300 [O-][n+]1cccc(c1)OCc2cncc(c2)Cl 7a_100000039713_100016992070 [0,2,0,0,0,0|2,0,0]=4 31292 B17R2.5300 [O-][n+]1cccc(c1)OCc2cncc(c2)F 34a_100000039713_100000725299 [0,2,0,0,0,0|2,0,0]=4 31293 B17R2.5300 [O-][n+]1cccc(c1)OCc2cncc(c2)F 7a_100000039713_100000725299 [0,2,0,0,0,0|2,0,0]=4 31294 B17R2.5300 [O-][n+]1cccc(c1)SCc2cncc(c2)Br 62a_100000738771_100009815978 [0,2,0,0,0,0|2,0,0]=4 31295 B17R2.5300 [O-][n+]1cccc(c1)SCc2cncc(c2)Cl 62a_100016992070_100009815978 [0,2,0,0,0,0|2,0,0]=4 31296 B17R2.5300 [O-][n+]1cccc(c1)SCc2cncc(c2)F 62a_100000725299_100009815978 [0,2,0,0,0,0|2,0,0]=4 31297 B17R2.5300 [O-][n+]1ccnc(c1)NCc2cncc(c2)Br 27a_100011249555_100009880115 [0,2,0,0,0,0|2,0,0]=4 31298 B17R2.5300 [O-][n+]1ccnc(c1)NCc2cncc(c2)Cl 27a_200020614424_100009880115 [0,2,0,0,0,0|2,0,0]=4 31299 B17R2.5300 [O-][n+]1ccnc(c1)NCc2cncc(c2)F 27a_100011962886_100009880115 [0,2,0,0,0,0|2,0,0]=4 31300 B17R2.5300 [S]c1cccc(c1)SCc2cccc(c2)Br 62a_100000211773_114929384022 [0,2,0,0,0,0|2,0,0]=4 31301 B17R2.5300 [S]c1cccc(c1)SCc2cccc(c2)Br 62a_114929384022_100000211773 [0,2,0,0,0,0|2,0,0]=4 31302 B17R2.5300 [S]c1cccc(c1)SCc2cccc(c2)Cl 62a_100000187163_114929384022 [0,2,0,0,0,0|2,0,0]=4 31303 B17R2.5300 [S]c1cccc(c1)SCc2cccc(c2)Cl 62a_114929384022_100000187163 [0,2,0,0,0,0|2,0,0]=4 31304 B17R2.5300 [S]c1cccc(c1)SCc2cccc(c2)I 62a_100011218688_114929384022 [0,2,0,0,0,0|2,0,0]=4 31305 B17R2.5300 [S]c1cccc(c1)SCc2cccc(c2)I 62a_114929384022_100011218688 [0,2,0,0,0,0|2,0,0]=4 31306 B17R2.5300 [S]c1cccc(c1)SCc2cncc(c2)Br 62a_100000738771_114929384022 [0,2,0,0,0,0|1,0,0]=3 31307 B17R2.5300 [S]c1cccc(c1)SCc2cncc(c2)Br 62a_114929384022_100000738771 [0,2,0,0,0,0|1,0,0]=3 31308 B17R2.5300 [S]c1cccc(c1)SCc2cncc(c2)Cl 62a_100016992070_114929384022 [0,2,0,0,0,0|1,0,0]=3 31309 B17R2.5300 [S]c1cccc(c1)SCc2cncc(c2)Cl 62a_114929384022_100016992070 [0,2,0,0,0,0|1,0,0]=3 31310 B15R2.21 C=Cc1ccccc1c2cccnc2 271570a_100000037480_100000752921 [0,0,1,1,0,0|1,0,1]=4 31311 B15R2.72 C=C=Cc1ccnn1c2ccccc2 271570a_100015277604_100011001034 [0,0,1,1,0,0|2,0,0]=4 31312 B15R2.118 C=Cc1cncn1Cc2ccccc2 271570a_100011290941_100010116847 [0,0,1,1,0,0|2,0,0]=4 31313 B15R2.2196 C(=NNc1ccccc1)c2cc[nH]c2 4a_100015195140_100000760201 [0,0,1,1,0,0|1,0,1]=4 31314 B15R2.2196 C(=NNc1ccccc1)c2cc[nH]n2 4a_100015195140_100000738523 [0,0,1,1,0,0|2,0,0]=4 31315 B15R2.2196 C(=NNc1ccccc1)c2ccc[nH]2 4a_100015195140_100000211237 [0,0,1,1,0,0|1,0,1]=4 31316 B15R2.2196 C(=NNc1ccccc1)c2ccco2 4a_100015195140_100000186105 [0,0,1,1,0,0|2,0,0]=4 31317 B15R2.2196 C(=NNc1ccccc1)c2cccs2 4a_100015195140_100000209959 [0,0,1,1,0,0|2,0,0]=4 31318 B15R2.2196 C(=NNc1ccccc1)c2ccoc2 4a_100015195140_100011215517 [0,0,1,1,0,0|2,0,0]=4 31319 B15R2.2196 C(=NNc1ccccc1)c2ccsc2 4a_100015195140_100000188534 [0,0,1,1,0,0|2,0,0]=4 31320 B15R2.2196 C(=NNc1ccccc1)c2cn[nH]c2 4a_100015195140_100016992096 [0,0,1,1,0,0|2,0,0]=4 31321 B15R2.2196 C(=NNc1ccccc1)c2cnc[nH]2 4a_100015195140_100000742939 [0,0,1,1,0,0|2,0,0]=4 31322 B15R2.2196 C(=NNc1ccccc1)c2cnco2 4a_100015195140_100000064291 [0,0,1,1,0,0|2,0,0]=4 31323 B15R2.2196 C(=NNc1ccccc1)c2cncs2 4a_100015195140_100000749870 [0,0,1,1,0,0|2,0,0]=4 31324 B15R2.2196 C(=NNc1ccccc1)c2cocn2 4a_100015195140_100000050382 [0,0,1,1,0,0|2,0,0]=4 31325 B15R2.2196 C(=NNc1ccccc1)c2cscn2 4a_100015195140_100000743575 [0,0,1,1,0,0|2,0,0]=4 31326 B15R2.2196 C(=NNc1ccccc1)c2ncc[nH]2 4a_100015195140_100000743867 [0,0,1,1,0,0|2,0,0]=4 31327 B15R2.2196 C(=NNc1ccccc1)c2ncco2 4a_100015195140_100000064290 [0,0,1,1,0,0|2,0,0]=4 31328 B15R2.2196 C(=NNc1ccccc1)c2nccs2 4a_100015195140_100000750902 [0,0,1,1,0,0|2,0,0]=4 31329 B15R2.2196 c1ccc(cc1)NCCc2cccs2 34a_100000106764_100000748579 [0,0,1,1,0,0|1,0,1]=4 31330 B15R2.2196 c1ccc(cc1)NCCn2cccn2 34a_100000106764_100015204718 [0,0,1,1,0,0|1,0,1]=4 31331 B15R2.2196 c1cncc(c1)CNCc2ccco2 207a_100000185738_100000209961 [0,0,1,1,0,0|1,0,1]=4 31332 B15R2.2196 c1cncc(c1)CNCc2ccco2 207a_100000210453_100000186105 [0,0,1,1,0,0|1,0,1]=4 31333 B15R2.2196 c1cncc(c1)CNCc2ccco2 2230a_100000185738_100000741622 [0,0,1,1,0,0|1,0,1]=4 31334 B15R2.2196 c1cncc(c1)CNCc2ccco2 270004a_100000185738_100000209961 [0,0,1,1,0,0|1,0,1]=4 31335 B15R2.2196 c1cncc(c1)CNCc2ccco2 270004a_100000210453_100000186105 [0,0,1,1,0,0|1,0,1]=4 31336 B15R2.2196 c1cncc(c1)CNCc2ccco2 34a_100000185738_100000733263 [0,0,1,1,0,0|1,0,1]=4 31337 B15R2.2196 c1cncc(c1)CNCc2cccs2 207a_100000210453_100000209959 [0,0,1,1,0,0|1,0,1]=4 31338 B15R2.2196 c1cncc(c1)CNCc2cccs2 207a_100000211653_100000209961 [0,0,1,1,0,0|1,0,1]=4 31339 B15R2.2196 c1cncc(c1)CNCc2cccs2 2230a_100000211653_100000741622 [0,0,1,1,0,0|1,0,1]=4 31340 B15R2.2196 c1cncc(c1)CNCc2cccs2 270004a_100000210453_100000209959 [0,0,1,1,0,0|1,0,1]=4 31341 B15R2.2196 c1cncc(c1)CNCc2cccs2 270004a_100000211653_100000209961 [0,0,1,1,0,0|1,0,1]=4 31342 B15R2.2196 c1cncc(c1)CNCc2ccoc2 207a_100000210453_100011215517 [0,0,1,1,0,0|1,0,1]=4 31343 B15R2.2196 c1cncc(c1)CNCc2ccoc2 207a_100015206860_100000209961 [0,0,1,1,0,0|1,0,1]=4 31344 B15R2.2196 c1cncc(c1)CNCc2ccoc2 2230a_100015206860_100000741622 [0,0,1,1,0,0|1,0,1]=4 31345 B15R2.2196 c1cncc(c1)CNCc2ccoc2 270004a_100000210453_100011215517 [0,0,1,1,0,0|1,0,1]=4 31346 B15R2.2196 c1cncc(c1)CNCc2ccoc2 270004a_100015206860_100000209961 [0,0,1,1,0,0|1,0,1]=4 31347 B15R2.2196 c1cncc(c1)CNCc2ccoc2 34a_100015206860_100000733263 [0,0,1,1,0,0|1,0,1]=4 31348 B15R2.2196 c1cncc(c1)CNCc2ccsc2 207a_100000186416_100000209961 [0,0,1,1,0,0|1,0,1]=4 31349 B15R2.2196 c1cncc(c1)CNCc2ccsc2 207a_100000210453_100000188534 [0,0,1,1,0,0|1,0,1]=4 31350 B15R2.2196 c1cncc(c1)CNCc2ccsc2 2230a_100000186416_100000741622 [0,0,1,1,0,0|1,0,1]=4 31351 B15R2.2196 c1cncc(c1)CNCc2ccsc2 270004a_100000186416_100000209961 [0,0,1,1,0,0|1,0,1]=4 31352 B15R2.2196 c1cncc(c1)CNCc2ccsc2 270004a_100000210453_100000188534 [0,0,1,1,0,0|1,0,1]=4 31353 B15R2.2196 c1cncc(c1)CNCc2ccsc2 34a_100000186416_100000733263 [0,0,1,1,0,0|1,0,1]=4 31354 B15R2.17 C=Cc1cccc(c1)c2cccnc2 271570a_100010046461_100000752921 [0,0,1,1,0,0|1,0,1]=4 31355 B15R2.17 C=Cc1cccc(c1)c2cccnc2 271570a_100011290941_100010074666 [0,0,1,1,0,0|1,0,1]=4 31356 B15R2.17 C=Cc1cccc(n1)c2cccnc2 271570a_100011290941_100012317994 [0,0,1,1,0,0|0,0,2]=4 31357 B15R2.17 C=Cc1cncc(c1)c2ccccc2 271570a_100011290941_100010138719 [0,0,1,1,0,0|1,0,1]=4 31358 B15R2.17 C=Cc1cncc(n1)c2ccccc2 271570a_100011290941_100000691699 [0,0,1,1,0,0|2,0,0]=4 31359 B15R2.66 C=C=Cc1cnn(c1)c2ccccc2 271570a_100015277604_100011260827 [0,0,1,1,0,0|0,0,2]=4 31360 B15R2.66 CC=Cc1cnn(c1)c2ccccc2 271570a_100016259895_100011260827 [0,0,1,1,0,0|0,0,2]=4 31361 B17R3.8 c1ccc(cc1)c2c[nH]c3c2cccc3 271570a_100012356747_100000210277 [0,0,0,1,0,1|1,0,1]=4 31362 B17R3.8 c1ccc(cc1)c2c[nH]c3c2ccnc3 271570a_100011218836_100010232032 [0,0,0,1,0,1|1,0,1]=4 31363 B17R3.8 c1ccc(cc1)c2c[nH]c3c2nccc3 271570a_100011218836_100009817151 [0,0,0,1,0,1|1,0,1]=4 31364 B17R3.8 c1ccc(cc1)c2coc3c2nccc3 271570a_100011218836_100009889148 [0,0,0,1,0,1|1,0,1]=4 31365 B17R3.8 c1ccc(cc1)c2csc3c2ccnc3 271570a_100011218836_100009817111 [0,0,0,1,0,1|1,0,1]=4 31366 B17R3.8 c1ccc(cc1)c2csc3c2nccc3 271570a_100011218836_100010247092 [0,0,0,1,0,1|1,0,1]=4 31367 B17R3.8 c1ccc(cc1)c2n[nH]c3c2cccc3 271570a_100011218836_100000050141 [0,0,0,1,0,1|1,0,1]=4 31368 B17R3.8 c1ccc(cc1)c2n[nH]c3c2ccnc3 271570a_100011218836_100010244369 [0,0,0,1,0,1|1,0,1]=4 31369 B17R3.8 c1ccc(cc1)c2n[nH]c3c2nccc3 271570a_100011218836_100009817118 [0,0,0,1,0,1|1,0,1]=4 31370 B17R3.8 c1ccc2c(c[nH]c2c1)c3ccnnc3 271570a_100012356747_100000732662 [0,0,0,1,0,1|1,0,1]=4 31371 B17R3.8 c1ccc2c(c[nH]c2c1)c3cnccn3 271570a_100012356747_100000758340 [0,0,0,1,0,1|1,0,1]=4 31372 B17R3.8 c1ccc2c(c[nH]c2c1)c3cncnc3 271570a_100012356747_100011206942 [0,0,0,1,0,1|1,0,1]=4 31373 B17R3.8 c1ccc2c(n[nH]c2c1)c3cnccn3 271570a_100011962566_100000050141 [0,0,0,1,0,1|1,0,1]=4 31374 B17R3.8 c1ccc2c(n[nH]c2c1)c3cncnc3 271570a_100000707473_100000050141 [0,0,0,1,0,1|1,0,1]=4 31375 B17R3.8 c1cncc(c1)c2c[nH]c3c2cccc3 271570a_100012356747_100000752921 [0,0,0,1,0,1|0,0,1]=3 31376 B17R3.8 c1cncc(c1)c2c[nH]c3c2cccn3 271570a_100000695875_100000752921 [0,0,0,1,0,1|1,0,1]=4 31377 B17R3.8 c1cncc(c1)c2c[nH]c3c2cccn3 271570a_100000757648_100011934613 [0,0,0,1,0,1|1,0,1]=4 31378 B17R3.8 c1cncc(c1)c2c[nH]c3c2ccnc3 271570a_100000757648_100010232032 [0,0,0,1,0,1|1,0,1]=4 31379 B17R3.8 c1cncc(c1)c2c[nH]c3c2cncc3 271570a_100000757648_100011934843 [0,0,0,1,0,1|1,0,1]=4 31380 B17R3.8 c1cncc(c1)c2c[nH]c3c2nccc3 271570a_100000757648_100009817151 [0,0,0,1,0,1|1,0,1]=4 31381 B17R3.8 c1cncc(c1)c2coc3c2cccc3 271570a_100000084643_100000752921 [0,0,0,1,0,1|1,0,1]=4 31382 B17R3.8 c1cncc(c1)c2coc3c2cccc3 271570a_100000757648_100009812202 [0,0,0,1,0,1|1,0,1]=4 31383 B17R3.8 c1cncc(c1)c2csc3c2cccc3 271570a_100000038073_100000752921 [0,0,0,1,0,1|1,0,1]=4 31384 B17R3.8 c1cncc(c1)c2csc3c2cccc3 271570a_100000757648_100009813928 [0,0,0,1,0,1|1,0,1]=4 31385 B17R3.8 c1cncc(c1)c2n[nH]c3c2cccc3 271570a_100000757648_100000050141 [0,0,0,1,0,1|0,0,1]=3 31386 B17R3.8 c1cncc(c1)c2n[nH]c3c2cccn3 271570a_100000757648_100009888962 [0,0,0,1,0,1|1,0,1]=4 31387 B17R3.8 c1cncc(c1)c2n[nH]c3c2ccnc3 271570a_100000757648_100010244369 [0,0,0,1,0,1|1,0,1]=4 31388 B17R3.8 c1cncc(c1)c2n[nH]c3c2cncc3 271570a_100000757648_100010724670 [0,0,0,1,0,1|1,0,1]=4 31389 B17R3.8 c1cncc(c1)c2n[nH]c3c2nccc3 271570a_100000757648_100009817118 [0,0,0,1,0,1|1,0,1]=4 31390 B17R3.8 c1cnnc(c1)c2c[nH]c3c2cccc3 271570a_100012356747_100016991348 [0,0,0,1,0,1|1,0,1]=4 31391 B17R3.1939 c1ccc(cc1)OC2Cc3c2cccc3 7a_100000210340_100009813401 [0,0,0,1,0,1|2,0,0]=4 31392 B17R3.1939 c1ccc(cc1)SC2Cc3c2cccc3 62a_100000719477_100009813401 [0,0,0,1,0,1|2,0,0]=4 31393 B17R3.1939 c1ccc(cc1)SC2Cc3c2cccc3 62a_100009813401_100000041952 [0,0,0,1,0,1|2,0,0]=4 31394 B17R3.1939 c1ccc2c(c1)CC2Oc3cncnc3 7a_100000754086_100009813401 [0,0,0,1,0,1|2,0,0]=4 31395 B17R3.1939 c1ccc2c(c1)CC2Sc3ccnnc3 62a_100000732662_100009813401 [0,0,0,1,0,1|2,0,0]=4 31396 B17R3.1939 c1ccc2c(c1)CC2Sc3ccnnc3 62a_100009813401_100000732662 [0,0,0,1,0,1|2,0,0]=4 31397 B17R3.1939 c1ccc2c(c1)CC2Sc3cnccn3 62a_100000211759_100009813401 [0,0,0,1,0,1|2,0,0]=4 31398 B17R3.1939 c1ccc2c(c1)CC2Sc3cnccn3 62a_100009813401_100000211759 [0,0,0,1,0,1|2,0,0]=4 31399 B17R3.1939 c1ccc2c(c1)CC2Sc3cncnc3 62a_100009813401_100011206942 [0,0,0,1,0,1|2,0,0]=4 31400 B17R3.1939 c1ccc2c(c1)CC2Sc3cncnc3 62a_100011206942_100009813401 [0,0,0,1,0,1|2,0,0]=4 31401 B17R3.1939 c1cncc(c1)OC2Cc3c2cccc3 7a_100000210849_100009813401 [0,0,0,1,0,1|1,0,0]=3 31402 B17R3.1939 c1cncc(c1)SC2Cc3c2cccc3 62a_100000210063_100009813401 [0,0,0,1,0,1|1,0,0]=3 31403 B17R3.1939 c1cncc(c1)SC2Cc3c2cccc3 62a_100009813401_100000210063 [0,0,0,1,0,1|1,0,0]=3 31404 B17R3.1939 c1cnnc(c1)SC2Cc3c2cccc3 62a_100009813401_100016991348 [0,0,0,1,0,1|2,0,0]=4 31405 B17R3.1939 c1cnnc(c1)SC2Cc3c2cccc3 62a_100016991348_100009813401 [0,0,0,1,0,1|2,0,0]=4 31406 B17R3.8708 C1=C(Cc2c1cccc2)c3ccccc3 271570a_100010239756_100000210277 [0,1,0,1,0,0|2,0,0]=4 31407 B17R3.8708 C1=C(Cc2c1cccc2)c3cccnc3 271570a_100010239756_100000752921 [0,1,0,1,0,0|1,0,1]=4 31408 B17R3.8708 c1cc(ncn1)N2Cc3ccncc3C2 27a_100000730608_100000703185 [0,1,0,1,0,0|2,0,0]=4 31409 B17R3.8708 c1ccc(cc1)c2cc3ccccc3[nH]2 271570a_100010206980_100000210277 [0,1,0,1,0,0|1,0,1]=4 31410 B17R3.8708 c1ccc(cc1)c2cc3ccccc3[nH]2 271570a_100011218836_100010232065 [0,1,0,1,0,0|1,0,1]=4 31411 B17R3.8708 c1ccc(cc1)c2cc3cccnc3[nH]2 271570a_100011218836_100010079843 [0,1,0,1,0,0|1,0,1]=4 31412 B17R3.8708 c1ccc(cc1)c2nc3ccccc3[nH]2 271570a_100011218836_100009814255 [0,1,0,1,0,0|1,0,1]=4 31413 B17R3.8708 c1ccc(cc1)c2nc3cccnc3s2 271570a_100011218836_100010188088 [0,1,0,1,0,0|2,0,0]=4 31414 B17R3.8708 c1ccc2[nH]c(cc2c1)c3ccnnc3 271570a_100010206980_100000732662 [0,1,0,1,0,0|1,0,1]=4 31415 B17R3.8708 c1ccc2[nH]c(cc2c1)c3cnccn3 271570a_100010206980_100000758340 [0,1,0,1,0,0|1,0,1]=4 31416 B17R3.8708 c1ccc2[nH]c(cc2c1)c3cnccn3 271570a_100011962566_100010232065 [0,1,0,1,0,0|1,0,1]=4 31417 B17R3.8708 c1ccc2[nH]c(cc2c1)c3cncnc3 271570a_100000707473_100010232065 [0,1,0,1,0,0|1,0,1]=4 31418 B17R3.8708 c1ccc2[nH]c(cc2c1)c3cncnc3 271570a_100010206980_100011206942 [0,1,0,1,0,0|1,0,1]=4 31419 B17R3.8708 c1ccc2[nH]c(nc2c1)c3cnccn3 271570a_100011962566_100009814255 [0,1,0,1,0,0|1,0,1]=4 31420 B17R3.8708 c1ccc2[nH]c(nc2c1)c3cncnc3 271570a_100000707473_100009814255 [0,1,0,1,0,0|1,0,1]=4 31421 B17R3.8708 c1cnc(cn1)N2Cc3ccncc3C2 27a_100000730608_100000211759 [0,1,0,1,0,0|2,0,0]=4 31422 B17R3.8708 c1cnc(nc1)N2Cc3cccnc3C2 27a_100000726175_100000211032 [0,1,0,1,0,0|2,0,0]=4 31423 B17R3.8708 c1cnc(nc1)N2Cc3ccncc3C2 27a_100000730608_100000211032 [0,1,0,1,0,0|2,0,0]=4 31424 B17R3.8708 c1cnc2c(c1)CN(C2)c3ccncn3 27a_100000726175_100000703185 [0,1,0,1,0,0|2,0,0]=4 31425 B17R3.8708 c1cnc2c(c1)CN(C2)c3cnccn3 27a_100000726175_100000211759 [0,1,0,1,0,0|2,0,0]=4 31426 B17R3.8708 c1cncc(c1)c2cc3ccccc3[nH]2 271570a_100000757648_100010232065 [0,1,0,1,0,0|0,0,1]=3 31427 B17R3.8708 c1cncc(c1)c2cc3ccccc3[nH]2 271570a_100010206980_100000752921 [0,1,0,1,0,0|0,0,1]=3 31428 B17R3.8708 c1cncc(c1)c2cc3ccccc3o2 271570a_100000757648_100010159458 [0,1,0,1,0,0|1,0,1]=4 31429 B17R3.8708 c1cncc(c1)c2cc3ccccc3o2 271570a_100011328764_100000752921 [0,1,0,1,0,0|1,0,1]=4 31430 B17R3.8708 c1cncc(c1)c2cc3ccccc3s2 271570a_100000034353_100000752921 [0,1,0,1,0,0|1,0,1]=4 31431 B17R3.8708 c1cncc(c1)c2cc3ccccc3s2 271570a_100000757648_100009816949 [0,1,0,1,0,0|1,0,1]=4 31432 B17R3.8708 c1cncc(c1)c2cc3cccnc3[nH]2 271570a_100000757648_100010079843 [0,1,0,1,0,0|1,0,1]=4 31433 B17R3.8708 c1cncc(c1)c2nc3ccccc3[nH]2 271570a_100000757648_100009814255 [0,1,0,1,0,0|0,0,1]=3 31434 B17R3.8708 c1cncc(c1)c2nc3ccccc3s2 271570a_100000757648_100000751744 [0,1,0,1,0,0|0,0,2]=4 31435 B17R3.8708 c1cncc(c1)c2nc3ccccc3s2 271570a_200000082171_100000752921 [0,1,0,1,0,0|0,0,2]=4 31436 B17R3.8708 c1cnnc(c1)N2Cc3cccnc3C2 27a_100000726175_100016991348 [0,1,0,1,0,0|2,0,0]=4 31437 B17R3.8708 c1cnnc(c1)N2Cc3ccncc3C2 27a_100000730608_100016991348 [0,1,0,1,0,0|2,0,0]=4 31438 B17R3.8708 c1cnnc(c1)c2cc3ccccc3[nH]2 271570a_100010206980_100016991348 [0,1,0,1,0,0|1,0,1]=4 31439 B17R3.54615 Oc1cc2cccnc2c3c1cccc3 271570a_203496583355_100050056114 [0,1,0,1,0,0|1,0,1]=4 31440 B13R1.44 C=CC=CC(=O)Cc1ccccc1 1458a_100016291481_100015291786 [0,0,1,0,1,0|2,0,0]=4 31441 B13R1.44 C=CC=CC(=O)Cc1cccnc1 1458a_100016291481_100000733263 [0,0,1,0,1,0|1,0,0]=3 31442 B13R1.44 C=CC=CC(=O)Cc1cccnn1 1458a_100016291481_100016990269 [0,0,1,0,1,0|2,0,0]=4 31443 B13R1.44 C=CC=CC(=O)Cc1cnccn1 1458a_100016291481_100016995436 [0,0,1,0,1,0|2,0,0]=4 31444 B13R1.44 C=CC=CC(=O)Cc1cncnc1 1458a_100016291481_100015196519 [0,0,1,0,1,0|2,0,0]=4 31445 B13R1.44 C=CC=CC(=O)Nc1ccccc1 1626a_100000106764_100016291481 [0,0,1,0,1,0|2,0,0]=4 31446 B13R1.44 C=CC=CC(=O)Nc1ccccc1 22a_100000106764_100016291481 [0,0,1,0,1,0|2,0,0]=4 31447 B13R1.153 C=CC=CC(=O)NCc1ccco1 1626a_100000185738_100016291481 [0,0,1,0,1,0|2,0,0]=4 31448 B13R1.153 C=CC=CC(=O)NCc1cccs1 1626a_100000211653_100016291481 [0,0,1,0,1,0|2,0,0]=4 31449 B13R1.153 C=CC=CC(=O)NCc1ccoc1 1626a_100015206860_100016291481 [0,0,1,0,1,0|2,0,0]=4 31450 B13R1.153 C=CC=CC(=O)NCc1ccsc1 1626a_100000186416_100016291481 [0,0,1,0,1,0|2,0,0]=4 31451 B13R1.153 C=CC=CC(=O)NCc1cscn1 1626a_100015185402_100016291481 [0,0,1,0,1,0|2,0,0]=4 31452 B13R1.153 C=CC=CC(=O)NCc1ncco1 1626a_100016994969_100016291481 [0,0,1,0,1,0|2,0,0]=4 31453 B13R1.153 C=CC=CC(=O)NCc1nccs1 1626a_100000740555_100016291481 [0,0,1,0,1,0|2,0,0]=4 31454 B13R2.3 c1cc(ccn1)c2ccnnc2 271570a_100000752145_100000732662 [0,0,0,0,2,0|2,0,0]=4 31455 B13R2.3 c1cc(ccn1)c2cnccn2 271570a_100000752145_100000758340 [0,0,0,0,2,0|2,0,0]=4 31456 B13R2.3 c1cc(ccn1)c2cnccn2 271570a_100011962566_100000035832 [0,0,0,0,2,0|2,0,0]=4 31457 B13R2.3 c1cc(ccn1)c2cncnc2 271570a_100000707473_100000035832 [0,0,0,0,2,0|2,0,0]=4 31458 B13R2.3 c1cc(ccn1)c2cncnc2 271570a_100000752145_100011206942 [0,0,0,0,2,0|2,0,0]=4 31459 B13R2.3 c1ccc(cc1)c2ccccc2 271570a_100011218836_100000210277 [0,0,0,0,2,0|1,0,0]=3 31460 B13R2.3 c1ccc(cc1)c2ccccn2 271570a_100011218836_100011216584 [0,0,0,0,2,0|2,0,0]=4 31461 B13R2.3 c1ccc(cc1)c2ccccn2 271570a_100011264011_100000210277 [0,0,0,0,2,0|2,0,0]=4 31462 B13R2.3 c1ccc(cc1)c2cccnc2 271570a_100000757648_100000210277 [0,0,0,0,2,0|0,0,0]=2 31463 B13R2.3 c1ccc(cc1)c2cccnc2 271570a_100011218836_100000752921 [0,0,0,0,2,0|0,0,0]=2 31464 B13R2.3 c1ccc(cc1)c2cccnn2 271570a_100011218836_100016991348 [0,0,0,0,2,0|1,0,0]=3 31465 B13R2.3 c1ccc(cc1)c2ccncc2 271570a_100000752145_100000210277 [0,0,0,0,2,0|2,0,0]=4 31466 B13R2.3 c1ccc(cc1)c2ccncc2 271570a_100011218836_100000035832 [0,0,0,0,2,0|2,0,0]=4 31467 B13R2.3 c1ccc(cc1)c2ccnnc2 271570a_100011218836_100000732662 [0,0,0,0,2,0|1,0,0]=3 31468 B13R2.3 c1ccc(cc1)c2cnccn2 271570a_100011218836_100000758340 [0,0,0,0,2,0|1,0,0]=3 31469 B13R2.3 c1ccc(cc1)c2cnccn2 271570a_100011962566_100000210277 [0,0,0,0,2,0|1,0,0]=3 31470 B13R2.3 c1ccc(cc1)c2cncnc2 271570a_100000707473_100000210277 [0,0,0,0,2,0|1,0,0]=3 31471 B13R2.3 c1ccc(cc1)c2cncnc2 271570a_100011218836_100011206942 [0,0,0,0,2,0|1,0,0]=3 31472 B13R2.3 c1ccc(cc1)c2cnnnc2 271570a_100011218836_100009846058 [0,0,0,0,2,0|2,0,0]=4 31473 B13R2.3 c1ccc(nc1)c2cccnc2 271570a_100000757648_100011216584 [0,0,0,0,2,0|1,0,0]=3 31474 B13R2.3 c1ccc(nc1)c2cccnc2 271570a_100011264011_100000752921 [0,0,0,0,2,0|1,0,0]=3 31475 B13R2.3 c1ccc(nc1)c2cccnn2 271570a_100011264011_100016991348 [0,0,0,0,2,0|2,0,0]=4 31476 B13R2.3 c1ccc(nc1)c2ccnnc2 271570a_100011264011_100000732662 [0,0,0,0,2,0|2,0,0]=4 31477 B13R2.3 c1ccc(nc1)c2cnccn2 271570a_100011264011_100000758340 [0,0,0,0,2,0|2,0,0]=4 31478 B13R2.3 c1ccc(nc1)c2cnccn2 271570a_100011962566_100011216584 [0,0,0,0,2,0|2,0,0]=4 31479 B13R2.3 c1ccc(nc1)c2cncnc2 271570a_100000707473_100011216584 [0,0,0,0,2,0|2,0,0]=4 31480 B13R2.3 c1ccc(nc1)c2cncnc2 271570a_100011264011_100011206942 [0,0,0,0,2,0|2,0,0]=4 31481 B13R2.3 c1cnc(nc1)c2cccnc2 271570a_100000757648_100000211032 [0,0,0,0,2,0|2,0,0]=4 31482 B13R2.3 c1cncc(c1)c2cccnc2 271570a_100000757648_100000752921 [0,0,0,0,2,0|1,0,0]=3 31483 B13R2.3 c1cncc(c1)c2cccnn2 271570a_100000757648_100016991348 [0,0,0,0,2,0|2,0,0]=4 31484 B13R2.3 c1cncc(c1)c2ccncc2 271570a_100000752145_100000752921 [0,0,0,0,2,0|1,0,0]=3 31485 B13R2.3 c1cncc(c1)c2ccncc2 271570a_100000757648_100000035832 [0,0,0,0,2,0|1,0,0]=3 31486 B13R2.3 c1cncc(c1)c2ccncn2 271570a_100000757648_100000703185 [0,0,0,0,2,0|2,0,0]=4 31487 B13R2.3 c1cncc(c1)c2ccnnc2 271570a_100000757648_100000732662 [0,0,0,0,2,0|2,0,0]=4 31488 B13R2.3 c1cncc(c1)c2cnccn2 271570a_100000757648_100000758340 [0,0,0,0,2,0|2,0,0]=4 31489 B13R2.3 c1cncc(c1)c2cnccn2 271570a_100011962566_100000752921 [0,0,0,0,2,0|2,0,0]=4 31490 B13R2.3 c1cncc(c1)c2cncnc2 271570a_100000707473_100000752921 [0,0,0,0,2,0|2,0,0]=4 31491 B13R2.3 c1cncc(c1)c2cncnc2 271570a_100000757648_100011206942 [0,0,0,0,2,0|2,0,0]=4 31492 B13R2.3 c1cnnc(c1)c2ccncc2 271570a_100000752145_100016991348 [0,0,0,0,2,0|2,0,0]=4 31493 B13R2.64 c1ccc(cc1)Nc2ncns2 27a_100000106764_100000693119 [0,0,0,0,2,0|2,0,0]=4 31494 B13R2.64 c1ccc(cc1)Nc2nncs2 27a_100000106764_100000739804 [0,0,0,0,2,0|2,0,0]=4 31495 B13R2.64 c1ccc(cc1)Sc2c[nH]cn2 62a_100000719477_100000756875 [0,0,0,0,2,0|2,0,0]=4 31496 B13R2.64 c1ccc(cc1)Sc2c[nH]cn2 62a_100000756875_100000041952 [0,0,0,0,2,0|2,0,0]=4 31497 B13R2.64 c1ccc(cc1)Sc2cc[nH]n2 62a_100000062575_100000041952 [0,0,0,0,2,0|2,0,0]=4 31498 B13R2.64 c1ccc(cc1)Sc2cc[nH]n2 62a_100000719477_100000062575 [0,0,0,0,2,0|2,0,0]=4 31499 B13R2.64 c1ccc(cc1)Sc2ccco2 62a_100000719477_100009814098 [0,0,0,0,2,0|2,0,0]=4 31500 B13R2.64 c1ccc(cc1)Sc2ccco2 62a_100009814098_100000041952 [0,0,0,0,2,0|2,0,0]=4 31501 B13R2.64 c1ccc(cc1)Sc2cccs2 62a_100000719477_100011215356 [0,0,0,0,2,0|2,0,0]=4 31502 B13R2.64 c1ccc(cc1)Sc2cccs2 62a_100011215356_100000041952 [0,0,0,0,2,0|2,0,0]=4 31503 B13R2.64 c1ccc(cc1)Sc2ccoc2 62a_100000719477_100011215275 [0,0,0,0,2,0|2,0,0]=4 31504 B13R2.64 c1ccc(cc1)Sc2ccoc2 62a_100011215275_100000041952 [0,0,0,0,2,0|2,0,0]=4 31505 B13R2.64 c1ccc(cc1)Sc2ccon2 62a_100000719477_100009818083 [0,0,0,0,2,0|2,0,0]=4 31506 B13R2.64 c1ccc(cc1)Sc2ccon2 62a_100009818083_100000041952 [0,0,0,0,2,0|2,0,0]=4 31507 B13R2.64 c1ccc(cc1)Sc2ccsc2 62a_100000719477_100000738268 [0,0,0,0,2,0|2,0,0]=4 31508 B13R2.64 c1ccc(cc1)Sc2ccsc2 62a_100000738268_100000041952 [0,0,0,0,2,0|2,0,0]=4 31509 B13R2.64 c1ccc(cc1)Sc2ccsn2 62a_100000719477_100009818082 [0,0,0,0,2,0|2,0,0]=4 31510 B13R2.64 c1ccc(cc1)Sc2ccsn2 62a_100009818082_100000041952 [0,0,0,0,2,0|2,0,0]=4 31511 B13R2.64 c1ccc(cc1)Sc2cn[nH]c2 62a_100000238712_100000041952 [0,0,0,0,2,0|2,0,0]=4 31512 B13R2.64 c1ccc(cc1)Sc2cn[nH]c2 62a_100000719477_100000238712 [0,0,0,0,2,0|2,0,0]=4 31513 B13R2.64 c1ccc(cc1)Sc2cnco2 62a_100000719477_100020591547 [0,0,0,0,2,0|2,0,0]=4 31514 B13R2.64 c1ccc(cc1)Sc2cnco2 62a_100020591547_100000041952 [0,0,0,0,2,0|2,0,0]=4 31515 B13R2.64 c1ccc(cc1)Sc2cncs2 62a_100000719477_100011934649 [0,0,0,0,2,0|2,0,0]=4 31516 B13R2.64 c1ccc(cc1)Sc2cncs2 62a_100011934649_100000041952 [0,0,0,0,2,0|2,0,0]=4 31517 B13R2.64 c1ccc(cc1)Sc2cnoc2 62a_100000719477_100009815712 [0,0,0,0,2,0|2,0,0]=4 31518 B13R2.64 c1ccc(cc1)Sc2cnoc2 62a_100009815712_100000041952 [0,0,0,0,2,0|2,0,0]=4 31519 B13R2.64 c1ccc(cc1)Sc2cnsc2 62a_100000719477_100009815736 [0,0,0,0,2,0|2,0,0]=4 31520 B13R2.64 c1ccc(cc1)Sc2cnsc2 62a_100009815736_100000041952 [0,0,0,0,2,0|2,0,0]=4 31521 B13R2.64 c1ccc(cc1)Sc2cscn2 62a_100000719477_100000751502 [0,0,0,0,2,0|2,0,0]=4 31522 B13R2.64 c1ccc(cc1)Sc2cscn2 62a_100000751502_100000041952 [0,0,0,0,2,0|2,0,0]=4 31523 B13R2.64 c1ccc(cc1)Sc2ncc[nH]2 62a_100000719477_100025796157 [0,0,0,0,2,0|2,0,0]=4 31524 B13R2.64 c1ccc(cc1)Sc2ncc[nH]2 62a_100025796157_100000041952 [0,0,0,0,2,0|2,0,0]=4 31525 B13R2.64 c1ccc(cc1)Sc2ncco2 62a_100000719477_100011787736 [0,0,0,0,2,0|2,0,0]=4 31526 B13R2.64 c1ccc(cc1)Sc2ncco2 62a_100011787736_100000041952 [0,0,0,0,2,0|2,0,0]=4 31527 B13R2.64 c1ccc(cc1)Sc2nccs2 62a_100000211983_100000041952 [0,0,0,0,2,0|2,0,0]=4 31528 B13R2.64 c1ccc(cc1)Sc2nccs2 62a_100000719477_100000211983 [0,0,0,0,2,0|2,0,0]=4 31529 B13R2.64 c1cncc(c1)Sc2ccco2 62a_100000210063_100009814098 [0,0,0,0,2,0|2,0,0]=4 31530 B13R2.64 c1cncc(c1)Sc2ccco2 62a_100009814098_100000210063 [0,0,0,0,2,0|2,0,0]=4 31531 B13R2.64 c1cncc(c1)Sc2cccs2 62a_100000210063_100011215356 [0,0,0,0,2,0|2,0,0]=4 31532 B13R2.64 c1cncc(c1)Sc2cccs2 62a_100011215356_100000210063 [0,0,0,0,2,0|2,0,0]=4 31533 B13R2.64 c1cncc(c1)Sc2ccoc2 62a_100000210063_100011215275 [0,0,0,0,2,0|2,0,0]=4 31534 B13R2.64 c1cncc(c1)Sc2ccoc2 62a_100011215275_100000210063 [0,0,0,0,2,0|2,0,0]=4 31535 B13R2.64 c1cncc(c1)Sc2ccsc2 62a_100000210063_100000738268 [0,0,0,0,2,0|2,0,0]=4 31536 B13R2.64 c1cncc(c1)Sc2ccsc2 62a_100000738268_100000210063 [0,0,0,0,2,0|2,0,0]=4 31537 B17R2.2382 C(#Cc1ccccc1)CNc2ccccc2 34a_100000106764_100011352542 [0,0,0,0,0,2|1,0,0]=3 31538 B17R2.2382 C(#Cc1ccccc1)COc2ccccc2 34a_100000210340_100011352542 [0,0,0,0,0,2|2,0,0]=4 31539 B17R2.2382 C(#Cc1ccccc1)COc2ccccc2 7a_100000210340_100011352542 [0,0,0,0,0,2|2,0,0]=4 31540 B17R2.2382 C(#Cc1ccccc1)COc2cccnc2 34a_100000210849_100011352542 [0,0,0,0,0,2|1,0,0]=3 31541 B17R2.2382 C(#Cc1ccccc1)COc2cccnc2 7a_100000210849_100011352542 [0,0,0,0,0,2|1,0,0]=3 31542 B17R2.2382 C(#Cc1ccccc1)COc2ccnnc2 34a_100015204005_100011352542 [0,0,0,0,0,2|2,0,0]=4 31543 B17R2.2382 C(#Cc1ccccc1)COc2cncnc2 7a_100000754086_100011352542 [0,0,0,0,0,2|2,0,0]=4 31544 B17R2.2382 C(#Cc1ccccc1)CSc2ccccc2 62a_100000719477_100011352542 [0,0,0,0,0,2|2,0,0]=4 31545 B17R2.2382 C(#Cc1ccccc1)CSc2cccnc2 62a_100000210063_100011352542 [0,0,0,0,0,2|1,0,0]=3 31546 B17R2.2382 C(#Cc1ccccc1)CSc2cccnn2 62a_100016991348_100011352542 [0,0,0,0,0,2|2,0,0]=4 31547 B17R2.2382 C(#Cc1ccccc1)CSc2ccnnc2 62a_100000732662_100011352542 [0,0,0,0,0,2|2,0,0]=4 31548 B17R2.2382 C(#Cc1ccccc1)CSc2cnccn2 62a_100000211759_100011352542 [0,0,0,0,0,2|2,0,0]=4 31549 B17R2.2382 C(#Cc1ccccc1)CSc2cncnc2 62a_100011206942_100011352542 [0,0,0,0,0,2|2,0,0]=4 31550 B17R2.2382 C(=C/c1ccccc1)\CNc2ccccc2 34a_100000106764_100016265936 [0,0,0,0,0,2|1,0,0]=3 31551 B17R2.2382 C(=C/c1ccccc1)\CNc2cccnn2 27a_100020603302_100016991348 [0,0,0,0,0,2|2,0,0]=4 31552 B17R2.2382 C(=C/c1ccccc1)\CNc2cnccn2 27a_100020603302_100000211759 [0,0,0,0,0,2|2,0,0]=4 31553 B17R2.2382 C(=C/c1ccccc1)\COc2ccccc2 34a_100000210340_100016265936 [0,0,0,0,0,2|2,0,0]=4 31554 B17R2.2382 C(=C/c1ccccc1)\COc2ccccc2 7a_100000210340_100016265936 [0,0,0,0,0,2|2,0,0]=4 31555 B17R2.2382 C(=C/c1ccccc1)\COc2cccnc2 34a_100000210849_100016265936 [0,0,0,0,0,2|1,0,0]=3 31556 B17R2.2382 C(=C/c1ccccc1)\COc2cccnc2 7a_100000210849_100016265936 [0,0,0,0,0,2|1,0,0]=3 31557 B17R2.2382 C(=C/c1ccccc1)\COc2ccnnc2 34a_100015204005_100016265936 [0,0,0,0,0,2|2,0,0]=4 31558 B17R2.2382 C(=C/c1ccccc1)\COc2cncnc2 7a_100000754086_100016265936 [0,0,0,0,0,2|2,0,0]=4 31559 B17R2.2382 C(=C/c1ccccc1)\CSc2ccccc2 62a_100000719477_100016265936 [0,0,0,0,0,2|2,0,0]=4 31560 B17R2.2382 C(=C/c1ccccc1)\CSc2ccccc2 62a_100016265936_100000041952 [0,0,0,0,0,2|2,0,0]=4 31561 B17R2.2382 C(=C/c1ccccc1)\CSc2cccnc2 62a_100000210063_100016265936 [0,0,0,0,0,2|1,0,0]=3 31562 B17R2.2382 C(=C/c1ccccc1)\CSc2cccnc2 62a_100016265936_100000210063 [0,0,0,0,0,2|1,0,0]=3 31563 B17R2.2382 C(=C/c1ccccc1)\CSc2cccnn2 62a_100016265936_100016991348 [0,0,0,0,0,2|2,0,0]=4 31564 B17R2.2382 C(=C/c1ccccc1)\CSc2cccnn2 62a_100016991348_100016265936 [0,0,0,0,0,2|2,0,0]=4 31565 B17R2.2382 C(=C/c1ccccc1)\CSc2ccnnc2 62a_100000732662_100016265936 [0,0,0,0,0,2|2,0,0]=4 31566 B17R2.2382 C(=C/c1ccccc1)\CSc2ccnnc2 62a_100016265936_100000732662 [0,0,0,0,0,2|2,0,0]=4 31567 B17R2.2382 C(=C/c1ccccc1)\CSc2cnccn2 62a_100000211759_100016265936 [0,0,0,0,0,2|2,0,0]=4 31568 B17R2.2382 C(=C/c1ccccc1)\CSc2cnccn2 62a_100016265936_100000211759 [0,0,0,0,0,2|2,0,0]=4 31569 B17R2.2382 C(=C/c1ccccc1)\CSc2cncnc2 62a_100011206942_100016265936 [0,0,0,0,0,2|2,0,0]=4 31570 B17R2.2382 C(=C/c1ccccc1)\CSc2cncnc2 62a_100016265936_100011206942 [0,0,0,0,0,2|2,0,0]=4 31571 B17R2.2382 C(=NNCc1ccccc1)c2ccccc2 4a_100000007032_100015611070 [0,0,0,0,0,2|1,0,0]=3 31572 B17R2.2382 C(=NNCc1ccccc1)c2ccccn2 4a_100000007032_100000209966 [0,0,0,0,0,2|2,0,0]=4 31573 B17R2.2382 C(=NNCc1ccccc1)c2cccnc2 4a_100000007032_100000209961 [0,0,0,0,0,2|0,0,1]=3 31574 B17R2.2382 C(=NNCc1ccccc1)c2ccncc2 4a_100000007032_100000186114 [0,0,0,0,0,2|2,0,0]=4 31575 B17R2.2382 C(=NNCc1ccccc1)c2ccnnc2 4a_100000007032_100011934578 [0,0,0,0,0,2|1,0,1]=4 31576 B17R2.2382 C(=NNCc1ccccc1)c2cnccn2 4a_100000007032_100000749867 [0,0,0,0,0,2|1,0,1]=4 31577 B17R2.2382 C(=NNCc1ccccc1)c2cncnc2 4a_100000007032_100000749868 [0,0,0,0,0,2|1,0,1]=4 31578 B17R2.2382 C(=NNCc1ccccn1)c2ccccc2 4a_100000736832_100015611070 [0,0,0,0,0,2|2,0,0]=4 31579 B17R2.2382 C(=NNCc1ccccn1)c2cccnc2 4a_100000736832_100000209961 [0,0,0,0,0,2|1,0,1]=4 31580 B17R2.2382 C(=NNCc1cccnc1)c2ccccc2 4a_100000738295_100015611070 [0,0,0,0,0,2|0,0,0]=2 31581 B17R2.2382 C(=NNCc1cccnc1)c2ccccn2 4a_100000738295_100000209966 [0,0,0,0,0,2|1,0,0]=3 31582 B17R2.2382 C(=NNCc1cccnc1)c2cccnc2 4a_100000738295_100000209961 [0,0,0,0,0,2|1,0,0]=3 31583 B17R2.2382 C(=NNCc1cccnc1)c2ccncc2 4a_100000738295_100000186114 [0,0,0,0,0,2|1,0,0]=3 31584 B17R2.2382 C(=NNCc1cccnc1)c2ccncn2 4a_100000738295_100011744739 [0,0,0,0,0,2|2,0,0]=4 31585 B17R2.2382 C(=NNCc1cccnc1)c2ccnnc2 4a_100000738295_100011934578 [0,0,0,0,0,2|2,0,0]=4 31586 B17R2.2382 C(=NNCc1cccnc1)c2cnccn2 4a_100000738295_100000749867 [0,0,0,0,0,2|2,0,0]=4 31587 B17R2.2382 C(=NNCc1cccnc1)c2cncnc2 4a_100000738295_100000749868 [0,0,0,0,0,2|2,0,0]=4 31588 B17R2.2382 C(=NNCc1cccnc1)c2ncccn2 4a_100000738295_100011532527 [0,0,0,0,0,2|2,0,0]=4 31589 B17R2.2382 C(=NNCc1ccncc1)c2ccccc2 4a_100000736929_100015611070 [0,0,0,0,0,2|2,0,0]=4 31590 B17R2.2382 C(=NNCc1ccncc1)c2cccnc2 4a_100000736929_100000209961 [0,0,0,0,0,2|1,0,1]=4 31591 B17R2.2382 C(=NNc1ccccc1)Cc2ccccc2 4a_100015195140_100000209964 [0,0,0,0,0,2|1,0,0]=3 31592 B17R2.2382 C(=NNc1ccccn1)Cc2ccccc2 4a_100000183288_100000209964 [0,0,0,0,0,2|2,0,0]=4 31593 B17R2.2382 C(=NNc1cccnc1)Cc2ccccc2 4a_100000728903_100000209964 [0,0,0,0,0,2|1,0,1]=4 31594 B17R2.2382 C(=NNc1ccncc1)Cc2ccccc2 4a_100000698918_100000209964 [0,0,0,0,0,2|2,0,0]=4 31595 B17R2.2382 c1cc(ccn1)CCNCc2ccnnc2 270004a_100000742849_100011934578 [0,0,0,0,0,2|2,0,0]=4 31596 B17R2.2382 c1cc(ccn1)CCNCc2cnccn2 270004a_100000742849_100000749867 [0,0,0,0,0,2|2,0,0]=4 31597 B17R2.2382 c1cc(ccn1)CCNCc2cncnc2 2230a_100011243677_100000723409 [0,0,0,0,0,2|2,0,0]=4 31598 B17R2.2382 c1cc(ccn1)CCNCc2cncnc2 270004a_100000742849_100000749868 [0,0,0,0,0,2|2,0,0]=4 31599 B17R2.2382 c1cc(ccn1)CNCCc2cnccn2 207a_100000723456_100000186114 [0,0,0,0,0,2|2,0,0]=4 31600 B17R2.2382 c1ccc(cc1)CCCNc2ccccc2 34a_100000106764_100000211621 [0,0,0,0,0,2|1,0,0]=3 31601 B17R2.2382 c1ccc(cc1)CCCNc2cccnn2 27a_100000211184_100016991348 [0,0,0,0,0,2|2,0,0]=4 31602 B17R2.2382 c1ccc(cc1)CCCNc2cnccn2 27a_100000211184_100000211759 [0,0,0,0,0,2|2,0,0]=4 31603 B17R2.2382 c1ccc(cc1)CCCOc2ccccc2 34a_100000210340_100000211621 [0,0,0,0,0,2|2,0,0]=4 31604 B17R2.2382 c1ccc(cc1)CCCOc2ccccc2 7a_100000210340_100000211621 [0,0,0,0,0,2|2,0,0]=4 31605 B17R2.2382 c1ccc(cc1)CCCOc2cccnc2 34a_100000210849_100000211621 [0,0,0,0,0,2|1,0,0]=3 31606 B17R2.2382 c1ccc(cc1)CCCOc2cccnc2 7a_100000210849_100000211621 [0,0,0,0,0,2|1,0,0]=3 31607 B17R2.2382 c1ccc(cc1)CCCOc2ccnnc2 34a_100015204005_100000211621 [0,0,0,0,0,2|2,0,0]=4 31608 B17R2.2382 c1ccc(cc1)CCCOc2cncnc2 7a_100000754086_100000211621 [0,0,0,0,0,2|2,0,0]=4 31609 B17R2.2382 c1ccc(cc1)CCCSc2ccccc2 62a_100000211621_100000041952 [0,0,0,0,0,2|2,0,0]=4 31610 B17R2.2382 c1ccc(cc1)CCCSc2ccccc2 62a_100000719477_100000211621 [0,0,0,0,0,2|2,0,0]=4 31611 B17R2.2382 c1ccc(cc1)CCCSc2cccnc2 62a_100000210063_100000211621 [0,0,0,0,0,2|1,0,0]=3 31612 B17R2.2382 c1ccc(cc1)CCCSc2cccnc2 62a_100000211621_100000210063 [0,0,0,0,0,2|1,0,0]=3 31613 B17R2.2382 c1ccc(cc1)CCCSc2cccnn2 62a_100000211621_100016991348 [0,0,0,0,0,2|2,0,0]=4 31614 B17R2.2382 c1ccc(cc1)CCCSc2cccnn2 62a_100016991348_100000211621 [0,0,0,0,0,2|2,0,0]=4 31615 B17R2.2382 c1ccc(cc1)CCCSc2ccnnc2 62a_100000211621_100000732662 [0,0,0,0,0,2|2,0,0]=4 31616 B17R2.2382 c1ccc(cc1)CCCSc2ccnnc2 62a_100000732662_100000211621 [0,0,0,0,0,2|2,0,0]=4 31617 B17R2.2382 c1ccc(cc1)CCCSc2cnccn2 62a_100000211621_100000211759 [0,0,0,0,0,2|2,0,0]=4 31618 B17R2.2382 c1ccc(cc1)CCCSc2cnccn2 62a_100000211759_100000211621 [0,0,0,0,0,2|2,0,0]=4 31619 B17R2.2382 c1ccc(cc1)CCCSc2cncnc2 62a_100000211621_100011206942 [0,0,0,0,0,2|2,0,0]=4 31620 B17R2.2382 c1ccc(cc1)CCCSc2cncnc2 62a_100011206942_100000211621 [0,0,0,0,0,2|2,0,0]=4 31621 B17R2.2382 c1ccc(cc1)CCNCc2ccccc2 207a_100000106460_100015611070 [0,0,0,0,0,2|1,0,0]=3 31622 B17R2.2382 c1ccc(cc1)CCNCc2ccccc2 2230a_100000106460_100015291786 [0,0,0,0,0,2|1,0,0]=3 31623 B17R2.2382 c1ccc(cc1)CCNCc2ccccc2 2230a_100015324214_100000765856 [0,0,0,0,0,2|1,0,0]=3 31624 B17R2.2382 c1ccc(cc1)CCNCc2ccccc2 270004a_100000106460_100015611070 [0,0,0,0,0,2|1,0,0]=3 31625 B17R2.2382 c1ccc(cc1)CCNCc2ccccc2 34a_100000106460_100015291786 [0,0,0,0,0,2|1,0,0]=3 31626 B17R2.2382 c1ccc(cc1)CCNCc2ccccc2 34a_100015324214_100000765856 [0,0,0,0,0,2|1,0,0]=3 31627 B17R2.2382 c1ccc(cc1)CCNCc2ccccn2 207a_100000106460_100000209966 [0,0,0,0,0,2|2,0,0]=4 31628 B17R2.2382 c1ccc(cc1)CCNCc2ccccn2 2230a_100000106460_100000721315 [0,0,0,0,0,2|2,0,0]=4 31629 B17R2.2382 c1ccc(cc1)CCNCc2ccccn2 270004a_100000106460_100000209966 [0,0,0,0,0,2|2,0,0]=4 31630 B17R2.2382 c1ccc(cc1)CCNCc2ccccn2 34a_100000106460_100000721315 [0,0,0,0,0,2|2,0,0]=4 31631 B17R2.2382 c1ccc(cc1)CCNCc2cccnc2 207a_100000106460_100000209961 [0,0,0,0,0,2|0,0,0]=2 31632 B17R2.2382 c1ccc(cc1)CCNCc2cccnc2 2230a_100000106460_100000741622 [0,0,0,0,0,2|0,0,0]=2 31633 B17R2.2382 c1ccc(cc1)CCNCc2cccnc2 270004a_100000106460_100000209961 [0,0,0,0,0,2|0,0,0]=2 31634 B17R2.2382 c1ccc(cc1)CCNCc2cccnc2 34a_100000106460_100000733263 [0,0,0,0,0,2|0,0,0]=2 31635 B17R2.2382 c1ccc(cc1)CCNCc2cccnn2 2230a_100000106460_100016990269 [0,0,0,0,0,2|1,0,0]=3 31636 B17R2.2382 c1ccc(cc1)CCNCc2cccnn2 2230a_100159270163_100000765856 [0,0,0,0,0,2|1,0,0]=3 31637 B17R2.2382 c1ccc(cc1)CCNCc2cccnn2 34a_100000106460_100016990269 [0,0,0,0,0,2|1,0,0]=3 31638 B17R2.2382 c1ccc(cc1)CCNCc2ccncc2 207a_100000106460_100000186114 [0,0,0,0,0,2|2,0,0]=4 31639 B17R2.2382 c1ccc(cc1)CCNCc2ccncc2 2230a_100000106460_100015193705 [0,0,0,0,0,2|2,0,0]=4 31640 B17R2.2382 c1ccc(cc1)CCNCc2ccnnc2 270004a_100000106460_100011934578 [0,0,0,0,0,2|1,0,0]=3 31641 B17R2.2382 c1ccc(cc1)CCNCc2cnccn2 2230a_100000106460_100016995436 [0,0,0,0,0,2|1,0,0]=3 31642 B17R2.2382 c1ccc(cc1)CCNCc2cnccn2 270004a_100000106460_100000749867 [0,0,0,0,0,2|1,0,0]=3 31643 B17R2.2382 c1ccc(cc1)CCNCc2cnccn2 34a_100000106460_100016995436 [0,0,0,0,0,2|1,0,0]=3 31644 B17R2.2382 c1ccc(cc1)CCNCc2cncnc2 2230a_100000106460_100015196519 [0,0,0,0,0,2|1,0,0]=3 31645 B17R2.2382 c1ccc(cc1)CCNCc2cncnc2 2230a_100011243677_100000765856 [0,0,0,0,0,2|1,0,0]=3 31646 B17R2.2382 c1ccc(cc1)CCNCc2cncnc2 270004a_100000106460_100000749868 [0,0,0,0,0,2|1,0,0]=3 31647 B17R2.2382 c1ccc(cc1)CCNCc2cncnc2 34a_100000106460_100015196519 [0,0,0,0,0,2|1,0,0]=3 31648 B17R2.2382 c1ccc(cc1)CCOCc2ccccc2 34a_100000210268_100015291786 [0,0,0,0,0,2|2,0,0]=4 31649 B17R2.2382 c1ccc(cc1)CCOCc2ccccc2 34a_100000210790_100000765856 [0,0,0,0,0,2|2,0,0]=4 31650 B17R2.2382 c1ccc(cc1)CCOCc2ccccc2 7a_100000210268_100000211182 [0,0,0,0,0,2|2,0,0]=4 31651 B17R2.2382 c1ccc(cc1)CCOCc2ccccc2 7a_100000210790_100000765856 [0,0,0,0,0,2|2,0,0]=4 31652 B17R2.2382 c1ccc(cc1)CCOCc2cccnc2 34a_100000210268_100000733263 [0,0,0,0,0,2|1,0,0]=3 31653 B17R2.2382 c1ccc(cc1)CCOCc2cccnc2 7a_100000210268_100000741622 [0,0,0,0,0,2|1,0,0]=3 31654 B17R2.2382 c1ccc(cc1)CCOCc2cccnn2 34a_100000210268_100016990269 [0,0,0,0,0,2|2,0,0]=4 31655 B17R2.2382 c1ccc(cc1)CCOCc2cccnn2 7a_100000210268_100016990269 [0,0,0,0,0,2|2,0,0]=4 31656 B17R2.2382 c1ccc(cc1)CCOCc2cnccn2 34a_100000210268_100016995436 [0,0,0,0,0,2|2,0,0]=4 31657 B17R2.2382 c1ccc(cc1)CCOCc2cnccn2 7a_100000210268_100016995436 [0,0,0,0,0,2|2,0,0]=4 31658 B17R2.2382 c1ccc(cc1)CCOCc2cncnc2 34a_100000210268_100015196519 [0,0,0,0,0,2|2,0,0]=4 31659 B17R2.2382 c1ccc(cc1)CCOCc2cncnc2 7a_100000210268_100015196519 [0,0,0,0,0,2|2,0,0]=4 31660 B17R2.2382 c1ccc(cc1)CCSCc2ccccc2 62a_100000211182_100011218657 [0,0,0,0,0,2|2,0,0]=4 31661 B17R2.2382 c1ccc(cc1)CCSCc2ccccc2 62a_100000765856_100015291786 [0,0,0,0,0,2|2,0,0]=4 31662 B17R2.2382 c1ccc(cc1)CCSCc2cccnc2 62a_100000741622_100011218657 [0,0,0,0,0,2|1,0,0]=3 31663 B17R2.2382 c1ccc(cc1)CCSCc2cccnc2 62a_100000765856_100000741622 [0,0,0,0,0,2|1,0,0]=3 31664 B17R2.2382 c1ccc(cc1)CCSCc2cccnn2 62a_100000765856_100016990269 [0,0,0,0,0,2|2,0,0]=4 31665 B17R2.2382 c1ccc(cc1)CCSCc2cccnn2 62a_100016990269_100011218657 [0,0,0,0,0,2|2,0,0]=4 31666 B17R2.2382 c1ccc(cc1)CCSCc2cnccn2 62a_100000765856_100016995436 [0,0,0,0,0,2|2,0,0]=4 31667 B17R2.2382 c1ccc(cc1)CCSCc2cnccn2 62a_100016995436_100011218657 [0,0,0,0,0,2|2,0,0]=4 31668 B17R2.2382 c1ccc(cc1)CCSCc2cncnc2 62a_100000765856_100015196519 [0,0,0,0,0,2|2,0,0]=4 31669 B17R2.2382 c1ccc(cc1)CCSCc2cncnc2 62a_100015196519_100011218657 [0,0,0,0,0,2|2,0,0]=4 31670 B17R2.2382 c1ccc(cc1)CNCCc2ccccn2 207a_100000211156_100015611070 [0,0,0,0,0,2|2,0,0]=4 31671 B17R2.2382 c1ccc(cc1)CNCCc2ccccn2 2230a_100015324214_100015183660 [0,0,0,0,0,2|2,0,0]=4 31672 B17R2.2382 c1ccc(cc1)CNCCc2ccccn2 270004a_100000211156_100015611070 [0,0,0,0,0,2|2,0,0]=4 31673 B17R2.2382 c1ccc(cc1)CNCCc2cccnc2 207a_100000736294_100015611070 [0,0,0,0,0,2|0,0,0]=2 31674 B17R2.2382 c1ccc(cc1)CNCCc2cccnc2 2230a_100000736294_100015291786 [0,0,0,0,0,2|0,0,0]=2 31675 B17R2.2382 c1ccc(cc1)CNCCc2cccnc2 2230a_100015324214_200011713674 [0,0,0,0,0,2|0,0,0]=2 31676 B17R2.2382 c1ccc(cc1)CNCCc2cccnc2 270004a_100000736294_100015611070 [0,0,0,0,0,2|0,0,0]=2 31677 B17R2.2382 c1ccc(cc1)CNCCc2ccncc2 207a_100000742849_100015611070 [0,0,0,0,0,2|2,0,0]=4 31678 B17R2.2382 c1ccc(cc1)CNCCc2ccncc2 2230a_100015324214_100000723409 [0,0,0,0,0,2|2,0,0]=4 31679 B17R2.2382 c1ccc(cc1)CNCCc2ccncc2 270004a_100000742849_100015611070 [0,0,0,0,0,2|2,0,0]=4 31680 B17R2.2382 c1ccc(cc1)CNCCc2cnccn2 207a_100000723456_100015611070 [0,0,0,0,0,2|1,0,0]=3 31681 B17R2.2382 c1ccc(cc1)CNCCc2cnccn2 270004a_100000723456_100015611070 [0,0,0,0,0,2|1,0,0]=3 31682 B17R2.2382 c1ccc(cc1)CNCSc2ccccc2 2230a_100015324214_100011218342 [0,0,0,0,0,2|1,0,0]=3 31683 B17R2.2382 c1ccc(cc1)COCCc2cccnc2 34a_100011217484_100015291786 [0,0,0,0,0,2|1,0,0]=3 31684 B17R2.2382 c1ccc(cc1)COCCc2cccnc2 7a_100000210790_200011713674 [0,0,0,0,0,2|1,0,0]=3 31685 B17R2.2382 c1ccc(cc1)COCCc2cnccn2 34a_100011349526_100015291786 [0,0,0,0,0,2|2,0,0]=4 31686 B17R2.2382 c1ccc(cc1)COCCc2cncnc2 34a_100011709255_100015291786 [0,0,0,0,0,2|2,0,0]=4 31687 B17R2.2382 c1ccc(cc1)COCNc2ccccc2 34a_100000106764_100000763385 [0,0,0,0,0,2|1,0,0]=3 31688 B17R2.2382 c1ccc(cc1)COCOc2ccccc2 34a_100000210340_100000763385 [0,0,0,0,0,2|2,0,0]=4 31689 B17R2.2382 c1ccc(cc1)COCOc2cccnc2 34a_100000210849_100000763385 [0,0,0,0,0,2|1,0,0]=3 31690 B17R2.2382 c1ccc(cc1)COCOc2ccnnc2 34a_100015204005_100000763385 [0,0,0,0,0,2|2,0,0]=4 31691 B17R2.2382 c1ccc(cc1)COCSc2ccccc2 62a_100000719477_100000763385 [0,0,0,0,0,2|2,0,0]=4 31692 B17R2.2382 c1ccc(cc1)COCSc2ccccc2 62a_100000763385_100000041952 [0,0,0,0,0,2|2,0,0]=4 31693 B17R2.2382 c1ccc(cc1)COCSc2cccnc2 62a_100000210063_100000763385 [0,0,0,0,0,2|1,0,0]=3 31694 B17R2.2382 c1ccc(cc1)COCSc2cccnc2 62a_100000763385_100000210063 [0,0,0,0,0,2|1,0,0]=3 31695 B17R2.2382 c1ccc(cc1)COCSc2cccnn2 62a_100000763385_100016991348 [0,0,0,0,0,2|2,0,0]=4 31696 B17R2.2382 c1ccc(cc1)COCSc2cccnn2 62a_100016991348_100000763385 [0,0,0,0,0,2|2,0,0]=4 31697 B17R2.2382 c1ccc(cc1)COCSc2ccnnc2 62a_100000732662_100000763385 [0,0,0,0,0,2|2,0,0]=4 31698 B17R2.2382 c1ccc(cc1)COCSc2ccnnc2 62a_100000763385_100000732662 [0,0,0,0,0,2|2,0,0]=4 31699 B17R2.2382 c1ccc(cc1)COCSc2cnccn2 62a_100000211759_100000763385 [0,0,0,0,0,2|2,0,0]=4 31700 B17R2.2382 c1ccc(cc1)COCSc2cnccn2 62a_100000763385_100000211759 [0,0,0,0,0,2|2,0,0]=4 31701 B17R2.2382 c1ccc(cc1)COCSc2cncnc2 62a_100000763385_100011206942 [0,0,0,0,0,2|2,0,0]=4 31702 B17R2.2382 c1ccc(cc1)COCSc2cncnc2 62a_100011206942_100000763385 [0,0,0,0,0,2|2,0,0]=4 31703 B17R2.2382 c1ccc(cc1)CSCCc2cccnc2 62a_100000211182_200011713674 [0,0,0,0,0,2|1,0,0]=3 31704 B17R2.2382 c1ccc(cc1)CSCCc2cccnc2 62a_200011713674_100015291786 [0,0,0,0,0,2|1,0,0]=3 31705 B17R2.2382 c1ccc(cc1)CSCNc2ccccc2 34a_100000106764_200011217039 [0,0,0,0,0,2|1,0,0]=3 31706 B17R2.2382 c1ccc(cc1)CSCOc2ccccc2 34a_100000210340_200011217039 [0,0,0,0,0,2|2,0,0]=4 31707 B17R2.2382 c1ccc(cc1)CSCOc2cccnc2 34a_100000210849_200011217039 [0,0,0,0,0,2|1,0,0]=3 31708 B17R2.2382 c1ccc(cc1)CSCOc2ccnnc2 34a_100015204005_200011217039 [0,0,0,0,0,2|2,0,0]=4 31709 B17R2.2382 c1ccc(cc1)CSCSc2ccccc2 62a_100000211182_100011218342 [0,0,0,0,0,2|2,0,0]=4 31710 B17R2.2382 c1ccc(cc1)CSCSc2ccccc2 62a_100000719477_200011217039 [0,0,0,0,0,2|2,0,0]=4 31711 B17R2.2382 c1ccc(cc1)CSCSc2ccccc2 62a_100011218342_100015291786 [0,0,0,0,0,2|2,0,0]=4 31712 B17R2.2382 c1ccc(cc1)CSCSc2ccccc2 62a_200011217039_100000041952 [0,0,0,0,0,2|2,0,0]=4 31713 B17R2.2382 c1ccc(cc1)CSCSc2cccnc2 62a_100000210063_200011217039 [0,0,0,0,0,2|1,0,0]=3 31714 B17R2.2382 c1ccc(cc1)CSCSc2cccnc2 62a_200011217039_100000210063 [0,0,0,0,0,2|1,0,0]=3 31715 B17R2.2382 c1ccc(cc1)CSCSc2cccnn2 62a_100016991348_200011217039 [0,0,0,0,0,2|2,0,0]=4 31716 B17R2.2382 c1ccc(cc1)CSCSc2cccnn2 62a_200011217039_100016991348 [0,0,0,0,0,2|2,0,0]=4 31717 B17R2.2382 c1ccc(cc1)CSCSc2ccnnc2 62a_100000732662_200011217039 [0,0,0,0,0,2|2,0,0]=4 31718 B17R2.2382 c1ccc(cc1)CSCSc2ccnnc2 62a_200011217039_100000732662 [0,0,0,0,0,2|2,0,0]=4 31719 B17R2.2382 c1ccc(cc1)CSCSc2cnccn2 62a_100000211759_200011217039 [0,0,0,0,0,2|2,0,0]=4 31720 B17R2.2382 c1ccc(cc1)CSCSc2cnccn2 62a_200011217039_100000211759 [0,0,0,0,0,2|2,0,0]=4 31721 B17R2.2382 c1ccc(cc1)CSCSc2cncnc2 62a_100011206942_200011217039 [0,0,0,0,0,2|2,0,0]=4 31722 B17R2.2382 c1ccc(cc1)CSCSc2cncnc2 62a_200011217039_100011206942 [0,0,0,0,0,2|2,0,0]=4 31723 B17R2.2382 c1ccc(cc1)NCCOc2ccccc2 34a_100000106764_100000184471 [0,0,0,0,0,2|1,0,0]=3 31724 B17R2.2382 c1ccc(cc1)NCCSc2ccccc2 34a_100000106764_100000246102 [0,0,0,0,0,2|1,0,0]=3 31725 B17R2.2382 c1ccc(cc1)OCCNc2cccnn2 27a_100000174943_100016991348 [0,0,0,0,0,2|2,0,0]=4 31726 B17R2.2382 c1ccc(cc1)OCCNc2cnccn2 27a_100000174943_100000211759 [0,0,0,0,0,2|2,0,0]=4 31727 B17R2.2382 c1ccc(cc1)OCCOc2ccccc2 34a_100000210340_100000184471 [0,0,0,0,0,2|2,0,0]=4 31728 B17R2.2382 c1ccc(cc1)OCCOc2ccccc2 7a_100000210340_100000184471 [0,0,0,0,0,2|2,0,0]=4 31729 B17R2.2382 c1ccc(cc1)OCCOc2cccnc2 34a_100000210849_100000184471 [0,0,0,0,0,2|1,0,0]=3 31730 B17R2.2382 c1ccc(cc1)OCCOc2cccnc2 7a_100000210849_100000184471 [0,0,0,0,0,2|1,0,0]=3 31731 B17R2.2382 c1ccc(cc1)OCCOc2ccnnc2 34a_100015204005_100000184471 [0,0,0,0,0,2|2,0,0]=4 31732 B17R2.2382 c1ccc(cc1)OCCOc2cncnc2 7a_100000754086_100000184471 [0,0,0,0,0,2|2,0,0]=4 31733 B17R2.2382 c1ccc(cc1)OCCSc2ccccc2 34a_100000210340_100000246102 [0,0,0,0,0,2|2,0,0]=4 31734 B17R2.2382 c1ccc(cc1)OCCSc2ccccc2 62a_100000184471_100000041952 [0,0,0,0,0,2|2,0,0]=4 31735 B17R2.2382 c1ccc(cc1)OCCSc2ccccc2 62a_100000719477_100000184471 [0,0,0,0,0,2|2,0,0]=4 31736 B17R2.2382 c1ccc(cc1)OCCSc2ccccc2 7a_100000210340_100000246102 [0,0,0,0,0,2|2,0,0]=4 31737 B17R2.2382 c1ccc(cc1)OCCSc2cccnc2 62a_100000184471_100000210063 [0,0,0,0,0,2|1,0,0]=3 31738 B17R2.2382 c1ccc(cc1)OCCSc2cccnc2 62a_100000210063_100000184471 [0,0,0,0,0,2|1,0,0]=3 31739 B17R2.2382 c1ccc(cc1)OCCSc2cccnn2 62a_100000184471_100016991348 [0,0,0,0,0,2|2,0,0]=4 31740 B17R2.2382 c1ccc(cc1)OCCSc2cccnn2 62a_100016991348_100000184471 [0,0,0,0,0,2|2,0,0]=4 31741 B17R2.2382 c1ccc(cc1)OCCSc2ccnnc2 62a_100000184471_100000732662 [0,0,0,0,0,2|2,0,0]=4 31742 B17R2.2382 c1ccc(cc1)OCCSc2ccnnc2 62a_100000732662_100000184471 [0,0,0,0,0,2|2,0,0]=4 31743 B17R2.2382 c1ccc(cc1)OCCSc2cnccn2 62a_100000184471_100000211759 [0,0,0,0,0,2|2,0,0]=4 31744 B17R2.2382 c1ccc(cc1)OCCSc2cnccn2 62a_100000211759_100000184471 [0,0,0,0,0,2|2,0,0]=4 31745 B17R2.2382 c1ccc(cc1)OCCSc2cncnc2 62a_100000184471_100011206942 [0,0,0,0,0,2|2,0,0]=4 31746 B17R2.2382 c1ccc(cc1)OCCSc2cncnc2 62a_100011206942_100000184471 [0,0,0,0,0,2|2,0,0]=4 31747 B17R2.2382 c1ccc(cc1)SCCNc2cccnn2 27a_100000189519_100016991348 [0,0,0,0,0,2|2,0,0]=4 31748 B17R2.2382 c1ccc(cc1)SCCNc2cnccn2 27a_100000189519_100000211759 [0,0,0,0,0,2|2,0,0]=4 31749 B17R2.2382 c1ccc(cc1)SCCOc2cccnc2 34a_100000210849_100000246102 [0,0,0,0,0,2|1,0,0]=3 31750 B17R2.2382 c1ccc(cc1)SCCOc2cccnc2 7a_100000210849_100000246102 [0,0,0,0,0,2|1,0,0]=3 31751 B17R2.2382 c1ccc(cc1)SCCOc2ccnnc2 34a_100015204005_100000246102 [0,0,0,0,0,2|2,0,0]=4 31752 B17R2.2382 c1ccc(cc1)SCCOc2cncnc2 7a_100000754086_100000246102 [0,0,0,0,0,2|2,0,0]=4 31753 B17R2.2382 c1ccc(cc1)SCCSc2ccccc2 62a_100000246102_100000041952 [0,0,0,0,0,2|2,0,0]=4 31754 B17R2.2382 c1ccc(cc1)SCCSc2ccccc2 62a_100000719477_100000246102 [0,0,0,0,0,2|2,0,0]=4 31755 B17R2.2382 c1ccc(cc1)SCCSc2cccnc2 62a_100000210063_100000246102 [0,0,0,0,0,2|1,0,0]=3 31756 B17R2.2382 c1ccc(cc1)SCCSc2cccnc2 62a_100000246102_100000210063 [0,0,0,0,0,2|1,0,0]=3 31757 B17R2.2382 c1ccc(cc1)SCCSc2cccnn2 62a_100000246102_100016991348 [0,0,0,0,0,2|2,0,0]=4 31758 B17R2.2382 c1ccc(cc1)SCCSc2cccnn2 62a_100016991348_100000246102 [0,0,0,0,0,2|2,0,0]=4 31759 B17R2.2382 c1ccc(cc1)SCCSc2ccnnc2 62a_100000246102_100000732662 [0,0,0,0,0,2|2,0,0]=4 31760 B17R2.2382 c1ccc(cc1)SCCSc2ccnnc2 62a_100000732662_100000246102 [0,0,0,0,0,2|2,0,0]=4 31761 B17R2.2382 c1ccc(cc1)SCCSc2cnccn2 62a_100000211759_100000246102 [0,0,0,0,0,2|2,0,0]=4 31762 B17R2.2382 c1ccc(cc1)SCCSc2cnccn2 62a_100000246102_100000211759 [0,0,0,0,0,2|2,0,0]=4 31763 B17R2.2382 c1ccc(cc1)SCCSc2cncnc2 62a_100000246102_100011206942 [0,0,0,0,0,2|2,0,0]=4 31764 B17R2.2382 c1ccc(cc1)SCCSc2cncnc2 62a_100011206942_100000246102 [0,0,0,0,0,2|2,0,0]=4 31765 B17R2.2382 c1ccc(cc1)SCNCc2cccnn2 2230a_100159270163_100011218342 [0,0,0,0,0,2|1,0,0]=3 31766 B17R2.2382 c1ccc(cc1)SCNCc2cncnc2 2230a_100011243677_100011218342 [0,0,0,0,0,2|1,0,0]=3 31767 B17R2.2382 c1ccc(cc1)SCSCc2cccnc2 62a_100000741622_100011218342 [0,0,0,0,0,2|1,0,0]=3 31768 B17R2.2382 c1ccc(cc1)SCSCc2cccnc2 62a_100011218342_100000741622 [0,0,0,0,0,2|1,0,0]=3 31769 B17R2.2382 c1ccc(cc1)SCSCc2cccnn2 62a_100011218342_100016990269 [0,0,0,0,0,2|2,0,0]=4 31770 B17R2.2382 c1ccc(cc1)SCSCc2cccnn2 62a_100016990269_100011218342 [0,0,0,0,0,2|2,0,0]=4 31771 B17R2.2382 c1ccc(cc1)SCSCc2cnccn2 62a_100011218342_100016995436 [0,0,0,0,0,2|2,0,0]=4 31772 B17R2.2382 c1ccc(cc1)SCSCc2cnccn2 62a_100016995436_100011218342 [0,0,0,0,0,2|2,0,0]=4 31773 B17R2.2382 c1ccc(cc1)SCSCc2cncnc2 62a_100011218342_100015196519 [0,0,0,0,0,2|2,0,0]=4 31774 B17R2.2382 c1ccc(cc1)SCSCc2cncnc2 62a_100015196519_100011218342 [0,0,0,0,0,2|2,0,0]=4 31775 B17R2.2382 c1ccc(nc1)CCNCc2cccnc2 207a_100000211156_100000209961 [0,0,0,0,0,2|1,0,0]=3 31776 B17R2.2382 c1ccc(nc1)CCNCc2cccnc2 270004a_100000211156_100000209961 [0,0,0,0,0,2|1,0,0]=3 31777 B17R2.2382 c1ccc(nc1)CCNCc2cccnn2 2230a_100159270163_100015183660 [0,0,0,0,0,2|2,0,0]=4 31778 B17R2.2382 c1ccc(nc1)CCNCc2ccnnc2 270004a_100000211156_100011934578 [0,0,0,0,0,2|2,0,0]=4 31779 B17R2.2382 c1ccc(nc1)CCNCc2cnccn2 270004a_100000211156_100000749867 [0,0,0,0,0,2|2,0,0]=4 31780 B17R2.2382 c1ccc(nc1)CCNCc2cncnc2 2230a_100011243677_100015183660 [0,0,0,0,0,2|2,0,0]=4 31781 B17R2.2382 c1ccc(nc1)CCNCc2cncnc2 270004a_100000211156_100000749868 [0,0,0,0,0,2|2,0,0]=4 31782 B17R2.2382 c1ccc(nc1)CCOCc2cccnc2 34a_100000210271_100000733263 [0,0,0,0,0,2|2,0,0]=4 31783 B17R2.2382 c1ccc(nc1)CCSCc2cccnc2 62a_100000741622_100015183660 [0,0,0,0,0,2|2,0,0]=4 31784 B17R2.2382 c1ccc(nc1)CCSCc2cccnc2 62a_100015183660_100000741622 [0,0,0,0,0,2|2,0,0]=4 31785 B17R2.2382 c1ccc(nc1)CNCCc2cccnc2 207a_100000736294_100000209966 [0,0,0,0,0,2|1,0,0]=3 31786 B17R2.2382 c1ccc(nc1)CNCCc2cccnc2 2230a_100000736294_100000721315 [0,0,0,0,0,2|1,0,0]=3 31787 B17R2.2382 c1ccc(nc1)CNCCc2cccnc2 270004a_100000736294_100000209966 [0,0,0,0,0,2|1,0,0]=3 31788 B17R2.2382 c1ccc(nc1)CNCCc2cnccn2 207a_100000723456_100000209966 [0,0,0,0,0,2|2,0,0]=4 31789 B17R2.2382 c1ccc(nc1)CNCCc2cnccn2 270004a_100000723456_100000209966 [0,0,0,0,0,2|2,0,0]=4 31790 B17R2.2382 c1ccc(nc1)COCCc2cccnc2 34a_100011217484_100000721315 [0,0,0,0,0,2|2,0,0]=4 31791 B17R2.2382 c1ccc(nc1)CSCCc2cccnc2 62a_100000721315_200011713674 [0,0,0,0,0,2|2,0,0]=4 31792 B17R2.2382 c1ccc(nc1)CSCCc2cccnc2 62a_200011713674_100000721315 [0,0,0,0,0,2|2,0,0]=4 31793 B17R2.2382 c1cnc(nc1)CNCCc2cccnc2 2230a_100000736294_100000703007 [0,0,0,0,0,2|2,0,0]=4 31794 B17R2.2382 c1cnc(nc1)CNCCc2cccnc2 270004a_100000736294_100011532527 [0,0,0,0,0,2|2,0,0]=4 31795 B17R2.2382 c1cnc(nc1)NCCCc2cccnc2 27a_100011532358_100000211032 [0,0,0,0,0,2|2,0,0]=4 31796 B17R2.2382 c1cnc(nc1)NCCOc2cccnc2 27a_100000754688_100000211032 [0,0,0,0,0,2|2,0,0]=4 31797 B17R2.2382 c1cncc(c1)CCCNc2cccnn2 27a_100011532358_100016991348 [0,0,0,0,0,2|2,0,0]=4 31798 B17R2.2382 c1cncc(c1)CCCNc2ccncn2 27a_100011532358_100000703185 [0,0,0,0,0,2|2,0,0]=4 31799 B17R2.2382 c1cncc(c1)CCCNc2cnccn2 27a_100011532358_100000211759 [0,0,0,0,0,2|2,0,0]=4 31800 B17R2.2382 c1cncc(c1)CCNCc2cccnc2 207a_100000736294_100000209961 [0,0,0,0,0,2|1,0,0]=3 31801 B17R2.2382 c1cncc(c1)CCNCc2cccnc2 2230a_100000736294_100000741622 [0,0,0,0,0,2|1,0,0]=3 31802 B17R2.2382 c1cncc(c1)CCNCc2cccnc2 270004a_100000736294_100000209961 [0,0,0,0,0,2|1,0,0]=3 31803 B17R2.2382 c1cncc(c1)CCNCc2cccnn2 2230a_100000736294_100016990269 [0,0,0,0,0,2|2,0,0]=4 31804 B17R2.2382 c1cncc(c1)CCNCc2cccnn2 2230a_100159270163_200011713674 [0,0,0,0,0,2|2,0,0]=4 31805 B17R2.2382 c1cncc(c1)CCNCc2ccncc2 207a_100000736294_100000186114 [0,0,0,0,0,2|1,0,0]=3 31806 B17R2.2382 c1cncc(c1)CCNCc2ccncc2 2230a_100000736294_100015193705 [0,0,0,0,0,2|1,0,0]=3 31807 B17R2.2382 c1cncc(c1)CCNCc2ccnnc2 270004a_100000736294_100011934578 [0,0,0,0,0,2|2,0,0]=4 31808 B17R2.2382 c1cncc(c1)CCNCc2cnccn2 2230a_100000736294_100016995436 [0,0,0,0,0,2|2,0,0]=4 31809 B17R2.2382 c1cncc(c1)CCNCc2cnccn2 270004a_100000736294_100000749867 [0,0,0,0,0,2|2,0,0]=4 31810 B17R2.2382 c1cncc(c1)CCNCc2cncnc2 2230a_100000736294_100015196519 [0,0,0,0,0,2|2,0,0]=4 31811 B17R2.2382 c1cncc(c1)CCNCc2cncnc2 2230a_100011243677_200011713674 [0,0,0,0,0,2|2,0,0]=4 31812 B17R2.2382 c1cncc(c1)CCNCc2cncnc2 270004a_100000736294_100000749868 [0,0,0,0,0,2|2,0,0]=4 31813 B17R2.2382 c1cncc(c1)CCOCc2cccnc2 34a_100011217484_100000733263 [0,0,0,0,0,2|2,0,0]=4 31814 B17R2.2382 c1cncc(c1)CCSCc2cccnc2 62a_100000741622_200011713674 [0,0,0,0,0,2|2,0,0]=4 31815 B17R2.2382 c1cncc(c1)CCSCc2cccnc2 62a_200011713674_100000741622 [0,0,0,0,0,2|2,0,0]=4 31816 B17R2.2382 c1cncc(c1)CCSCc2ccncc2 62a_100015193705_200011713674 [0,0,0,0,0,2|2,0,0]=4 31817 B17R2.2382 c1cncc(c1)CCSCc2ccncc2 62a_200011713674_100015193705 [0,0,0,0,0,2|2,0,0]=4 31818 B17R2.2382 c1cncc(c1)CNCCc2ccncc2 207a_100000742849_100000209961 [0,0,0,0,0,2|1,0,0]=3 31819 B17R2.2382 c1cncc(c1)CNCCc2ccncc2 270004a_100000742849_100000209961 [0,0,0,0,0,2|1,0,0]=3 31820 B17R2.2382 c1cncc(c1)CNCCc2cnccn2 207a_100000723456_100000209961 [0,0,0,0,0,2|2,0,0]=4 31821 B17R2.2382 c1cncc(c1)CNCCc2cnccn2 270004a_100000723456_100000209961 [0,0,0,0,0,2|2,0,0]=4 31822 B17R2.2382 c1cncc(c1)COCCc2ccncc2 34a_100011216225_100000733263 [0,0,0,0,0,2|2,0,0]=4 31823 B17R2.2382 c1cncc(c1)CSCCc2ccncc2 62a_100000723409_100000741622 [0,0,0,0,0,2|2,0,0]=4 31824 B17R2.2382 c1cncc(c1)CSCCc2ccncc2 62a_100000741622_100000723409 [0,0,0,0,0,2|2,0,0]=4 31825 B17R2.2382 c1cncc(c1)OCCNc2cccnn2 27a_100000754688_100016991348 [0,0,0,0,0,2|2,0,0]=4 31826 B17R2.2382 c1cncc(c1)OCCNc2ccncn2 27a_100000754688_100000703185 [0,0,0,0,0,2|2,0,0]=4 31827 B17R2.2382 c1cncc(c1)OCCNc2cnccn2 27a_100000754688_100000211759 [0,0,0,0,0,2|2,0,0]=4 31828 B17R2.2382 c1cnnc(c1)CNCCc2ccncc2 2230a_100159270163_100000723409 [0,0,0,0,0,2|2,0,0]=4