0 B15R2.2195 C(#Cc1ccccc1)c2ccccc2 271570a_100000069678_100000210277 [0,0,0,0,0,0|2,0,0]=2 1 B15R2.2195 C(#Cc1ccccn1)c2ccccc2 271570a_100000069678_100011216584 [0,0,0,0,0,0|3,0,0]=3 2 B15R2.2195 C(#Cc1cccnc1)c2ccccc2 271570a_100000069678_100000752921 [0,0,0,0,0,0|3,0,0]=3 3 B15R2.2195 C(#Cc1cccnn1)c2ccccc2 271570a_100000069678_100016991348 [0,0,0,0,0,0|4,0,0]=4 4 B15R2.2195 C(#Cc1ccncc1)c2ccccc2 271570a_100000069678_100000035832 [0,0,0,0,0,0|3,0,0]=3 5 B15R2.2195 C(#Cc1ccncn1)c2ccccc2 271570a_100000069678_100000703185 [0,0,0,0,0,0|4,0,0]=4 6 B15R2.2195 C(#Cc1ccnnc1)c2ccccc2 271570a_100000069678_100000732662 [0,0,0,0,0,0|4,0,0]=4 7 B15R2.2195 C(#Cc1cnccn1)c2ccccc2 271570a_100000069678_100000758340 [0,0,0,0,0,0|4,0,0]=4 8 B15R2.2195 C(#Cc1cncnc1)c2ccccc2 271570a_100000069678_100011206942 [0,0,0,0,0,0|4,0,0]=4 9 B15R2.2195 C(#Cc1ncccn1)c2ccccc2 271570a_100000069678_100000211032 [0,0,0,0,0,0|4,0,0]=4 10 B15R2.2195 C(=Cc1ccccc1)c2ccccc2 271570a_100102527694_100000210277 [0,0,0,0,0,0|2,0,0]=2 11 B15R2.2195 C(=Cc1ccccn1)c2ccccc2 271570a_100102527694_100011216584 [0,0,0,0,0,0|3,0,0]=3 12 B15R2.2195 C(=Cc1ccccn1)c2cccnc2 271570a_100102525586_100011216584 [0,0,0,0,0,0|4,0,0]=4 13 B15R2.2195 C(=Cc1cccnc1)c2ccccc2 271570a_100102525586_100000210277 [0,0,0,0,0,0|3,0,0]=3 14 B15R2.2195 C(=Cc1cccnc1)c2ccccc2 271570a_100102527694_100000752921 [0,0,0,0,0,0|3,0,0]=3 15 B15R2.2195 C(=Cc1cccnc1)c2cccnc2 271570a_100102525586_100000752921 [0,0,0,0,0,0|4,0,0]=4 16 B15R2.2195 C(=Cc1cccnc1)c2ccncc2 271570a_100102525586_100000035832 [0,0,0,0,0,0|4,0,0]=4 17 B15R2.2195 C(=Cc1cccnn1)c2ccccc2 271570a_100102527694_100016991348 [0,0,0,0,0,0|4,0,0]=4 18 B15R2.2195 C(=Cc1ccncc1)c2ccccc2 271570a_100102527694_100000035832 [0,0,0,0,0,0|3,0,0]=3 19 B15R2.2195 C(=Cc1ccncn1)c2ccccc2 271570a_100102527694_100000703185 [0,0,0,0,0,0|4,0,0]=4 20 B15R2.2195 C(=Cc1ccnnc1)c2ccccc2 271570a_100102527694_100000732662 [0,0,0,0,0,0|4,0,0]=4 21 B15R2.2195 C(=Cc1cnccn1)c2ccccc2 271570a_100102527694_100000758340 [0,0,0,0,0,0|4,0,0]=4 22 B15R2.2195 C(=Cc1cncnc1)c2ccccc2 271570a_100102527694_100011206942 [0,0,0,0,0,0|4,0,0]=4 23 B15R2.2195 C(=Cc1ncccn1)c2ccccc2 271570a_100102527694_100000211032 [0,0,0,0,0,0|4,0,0]=4 24 B15R2.2195 c1cc(ccn1)CSc2ccncc2 62a_100000728582_100015193705 [0,0,0,0,0,0|3,0,0]=3 25 B15R2.2195 c1cc(ccn1)CSc2ccncc2 62a_100015193705_100000728582 [0,0,0,0,0,0|3,0,0]=3 26 B15R2.2195 c1cc(ccn1)CSc2ccncn2 62a_100000703185_100015193705 [0,0,0,0,0,0|4,0,0]=4 27 B15R2.2195 c1cc(ccn1)CSc2ccncn2 62a_100015193705_100000703185 [0,0,0,0,0,0|4,0,0]=4 28 B15R2.2195 c1cc(ccn1)CSc2ccnnc2 62a_100000732662_100015193705 [0,0,0,0,0,0|4,0,0]=4 29 B15R2.2195 c1cc(ccn1)CSc2ccnnc2 62a_100015193705_100000732662 [0,0,0,0,0,0|4,0,0]=4 30 B15R2.2195 c1cc(ccn1)CSc2cnccn2 62a_100000211759_100015193705 [0,0,0,0,0,0|4,0,0]=4 31 B15R2.2195 c1cc(ccn1)CSc2cnccn2 62a_100015193705_100000211759 [0,0,0,0,0,0|4,0,0]=4 32 B15R2.2195 c1cc(ccn1)CSc2cncnc2 62a_100011206942_100015193705 [0,0,0,0,0,0|4,0,0]=4 33 B15R2.2195 c1cc(ccn1)CSc2cncnc2 62a_100015193705_100011206942 [0,0,0,0,0,0|4,0,0]=4 34 B15R2.2195 c1cc(ccn1)SCc2cnccn2 62a_100000728582_100016995436 [0,0,0,0,0,0|4,0,0]=4 35 B15R2.2195 c1cc(ccn1)SCc2cnccn2 62a_100016995436_100000728582 [0,0,0,0,0,0|4,0,0]=4 36 B15R2.2195 c1cc(ccn1)SCc2cncnc2 62a_100000728582_100015196519 [0,0,0,0,0,0|4,0,0]=4 37 B15R2.2195 c1cc(ccn1)SCc2cncnc2 62a_100015196519_100000728582 [0,0,0,0,0,0|4,0,0]=4 38 B15R2.2195 c1ccc(cc1)CNc2ccccc2 207a_100000106764_100015611070 [0,0,0,0,0,0|2,0,0]=2 39 B15R2.2195 c1ccc(cc1)CNc2ccccc2 270302a_100000106764_100015611070 [0,0,0,0,0,0|2,0,0]=2 40 B15R2.2195 c1ccc(cc1)CNc2ccccc2 34a_100000106764_100015291786 [0,0,0,0,0,0|2,0,0]=2 41 B15R2.2195 c1ccc(cc1)CNc2cccnn2 27a_100015324214_100016991348 [0,0,0,0,0,0|4,0,0]=4 42 B15R2.2195 c1ccc(cc1)CNc2ccncn2 27a_100015324214_100000703185 [0,0,0,0,0,0|4,0,0]=4 43 B15R2.2195 c1ccc(cc1)CNc2cnccn2 27a_100015324214_100000211759 [0,0,0,0,0,0|4,0,0]=4 44 B15R2.2195 c1ccc(cc1)CNc2ncccn2 27a_100015324214_100000211032 [0,0,0,0,0,0|4,0,0]=4 45 B15R2.2195 c1ccc(cc1)COc2ccccc2 34a_100000210340_100015291786 [0,0,0,0,0,0|1,1,0]=2 46 B15R2.2195 c1ccc(cc1)COc2ccccc2 7a_100000210340_100000211182 [0,0,0,0,0,0|1,1,0]=2 47 B15R2.2195 c1ccc(cc1)COc2cccnc2 34a_100000210849_100015291786 [0,0,0,0,0,0|2,1,0]=3 48 B15R2.2195 c1ccc(cc1)COc2cccnc2 7a_100000210849_100000211182 [0,0,0,0,0,0|2,1,0]=3 49 B15R2.2195 c1ccc(cc1)COc2ccncc2 34a_100000212176_100015291786 [0,0,0,0,0,0|2,1,0]=3 50 B15R2.2195 c1ccc(cc1)COc2ccnnc2 34a_100015204005_100015291786 [0,0,0,0,0,0|3,1,0]=4 51 B15R2.2195 c1ccc(cc1)COc2cncnc2 7a_100000754086_100000211182 [0,0,0,0,0,0|3,1,0]=4 52 B15R2.2195 c1ccc(cc1)CSc2ccccc2 62a_100000211182_100000041952 [0,0,0,0,0,0|1,0,0]=1 53 B15R2.2195 c1ccc(cc1)CSc2ccccc2 62a_100000719477_100015291786 [0,0,0,0,0,0|1,0,0]=1 54 B15R2.2195 c1ccc(cc1)CSc2ccccn2 62a_100000211182_100011216584 [0,0,0,0,0,0|2,0,0]=2 55 B15R2.2195 c1ccc(cc1)CSc2ccccn2 62a_100011216584_100015291786 [0,0,0,0,0,0|2,0,0]=2 56 B15R2.2195 c1ccc(cc1)CSc2cccnc2 62a_100000210063_100015291786 [0,0,0,0,0,0|2,0,0]=2 57 B15R2.2195 c1ccc(cc1)CSc2cccnc2 62a_100000211182_100000210063 [0,0,0,0,0,0|2,0,0]=2 58 B15R2.2195 c1ccc(cc1)CSc2cccnn2 62a_100000211182_100016991348 [0,0,0,0,0,0|3,0,0]=3 59 B15R2.2195 c1ccc(cc1)CSc2cccnn2 62a_100016991348_100015291786 [0,0,0,0,0,0|3,0,0]=3 60 B15R2.2195 c1ccc(cc1)CSc2ccncc2 62a_100000211182_100000728582 [0,0,0,0,0,0|2,0,0]=2 61 B15R2.2195 c1ccc(cc1)CSc2ccncc2 62a_100000728582_100015291786 [0,0,0,0,0,0|2,0,0]=2 62 B15R2.2195 c1ccc(cc1)CSc2ccncn2 62a_100000211182_100000703185 [0,0,0,0,0,0|3,0,0]=3 63 B15R2.2195 c1ccc(cc1)CSc2ccncn2 62a_100000703185_100015291786 [0,0,0,0,0,0|3,0,0]=3 64 B15R2.2195 c1ccc(cc1)CSc2ccnnc2 62a_100000211182_100000732662 [0,0,0,0,0,0|3,0,0]=3 65 B15R2.2195 c1ccc(cc1)CSc2ccnnc2 62a_100000732662_100015291786 [0,0,0,0,0,0|3,0,0]=3 66 B15R2.2195 c1ccc(cc1)CSc2cnccn2 62a_100000211182_100000211759 [0,0,0,0,0,0|3,0,0]=3 67 B15R2.2195 c1ccc(cc1)CSc2cnccn2 62a_100000211759_100015291786 [0,0,0,0,0,0|3,0,0]=3 68 B15R2.2195 c1ccc(cc1)CSc2cncnc2 62a_100000211182_100011206942 [0,0,0,0,0,0|3,0,0]=3 69 B15R2.2195 c1ccc(cc1)CSc2cncnc2 62a_100011206942_100015291786 [0,0,0,0,0,0|3,0,0]=3 70 B15R2.2195 c1ccc(cc1)CSc2cnnnc2 62a_100000211182_100009846058 [0,0,0,0,0,0|4,0,0]=4 71 B15R2.2195 c1ccc(cc1)CSc2cnnnc2 62a_100009846058_100015291786 [0,0,0,0,0,0|4,0,0]=4 72 B15R2.2195 c1ccc(cc1)CSc2ncccn2 62a_100000211032_100015291786 [0,0,0,0,0,0|3,0,0]=3 73 B15R2.2195 c1ccc(cc1)CSc2ncccn2 62a_100000211182_100000211032 [0,0,0,0,0,0|3,0,0]=3 74 B15R2.2195 c1ccc(cc1)NCc2ccccn2 207a_100000106764_100000209966 [0,0,0,0,0,0|3,0,0]=3 75 B15R2.2195 c1ccc(cc1)NCc2ccccn2 270302a_100000106764_100000209966 [0,0,0,0,0,0|3,0,0]=3 76 B15R2.2195 c1ccc(cc1)NCc2ccccn2 34a_100000106764_100000721315 [0,0,0,0,0,0|3,0,0]=3 77 B15R2.2195 c1ccc(cc1)NCc2cccnc2 207a_100000106764_100000209961 [0,0,0,0,0,0|3,0,0]=3 78 B15R2.2195 c1ccc(cc1)NCc2cccnc2 270302a_100000106764_100000209961 [0,0,0,0,0,0|3,0,0]=3 79 B15R2.2195 c1ccc(cc1)NCc2cccnc2 34a_100000106764_100000733263 [0,0,0,0,0,0|3,0,0]=3 80 B15R2.2195 c1ccc(cc1)NCc2cccnn2 34a_100000106764_100016990269 [0,0,0,0,0,0|4,0,0]=4 81 B15R2.2195 c1ccc(cc1)NCc2ccncc2 207a_100000106764_100000186114 [0,0,0,0,0,0|3,0,0]=3 82 B15R2.2195 c1ccc(cc1)NCc2ccnnc2 270302a_100000106764_100011934578 [0,0,0,0,0,0|4,0,0]=4 83 B15R2.2195 c1ccc(cc1)NCc2cnccn2 34a_100000106764_100016995436 [0,0,0,0,0,0|4,0,0]=4 84 B15R2.2195 c1ccc(cc1)NCc2cncnc2 270302a_100000106764_100000749868 [0,0,0,0,0,0|4,0,0]=4 85 B15R2.2195 c1ccc(cc1)NCc2cncnc2 34a_100000106764_100015196519 [0,0,0,0,0,0|4,0,0]=4 86 B15R2.2195 c1ccc(cc1)NCc2ncccn2 34a_100000106764_100000703007 [0,0,0,0,0,0|4,0,0]=4 87 B15R2.2195 c1ccc(cc1)OCc2ccccn2 34a_100000210340_100000721315 [0,0,0,0,0,0|2,1,0]=3 88 B15R2.2195 c1ccc(cc1)OCc2ccccn2 7a_100000210340_100000721315 [0,0,0,0,0,0|2,1,0]=3 89 B15R2.2195 c1ccc(cc1)OCc2cccnc2 34a_100000210340_100000733263 [0,0,0,0,0,0|2,1,0]=3 90 B15R2.2195 c1ccc(cc1)OCc2cccnc2 7a_100000210340_100000741622 [0,0,0,0,0,0|2,1,0]=3 91 B15R2.2195 c1ccc(cc1)OCc2cccnn2 34a_100000210340_100016990269 [0,0,0,0,0,0|3,1,0]=4 92 B15R2.2195 c1ccc(cc1)OCc2cccnn2 7a_100000210340_100016990269 [0,0,0,0,0,0|3,1,0]=4 93 B15R2.2195 c1ccc(cc1)OCc2ccncc2 7a_100000210340_100015193705 [0,0,0,0,0,0|2,1,0]=3 94 B15R2.2195 c1ccc(cc1)OCc2cnccn2 34a_100000210340_100016995436 [0,0,0,0,0,0|3,1,0]=4 95 B15R2.2195 c1ccc(cc1)OCc2cnccn2 7a_100000210340_100016995436 [0,0,0,0,0,0|3,1,0]=4 96 B15R2.2195 c1ccc(cc1)OCc2cncnc2 34a_100000210340_100015196519 [0,0,0,0,0,0|3,1,0]=4 97 B15R2.2195 c1ccc(cc1)OCc2cncnc2 7a_100000210340_100015196519 [0,0,0,0,0,0|3,1,0]=4 98 B15R2.2195 c1ccc(cc1)OCc2ncccn2 34a_100000210340_100000703007 [0,0,0,0,0,0|3,1,0]=4 99 B15R2.2195 c1ccc(cc1)OCc2ncccn2 7a_100000210340_100000703007 [0,0,0,0,0,0|3,1,0]=4 100 B15R2.2195 c1ccc(cc1)SCc2ccccn2 62a_100000719477_100000721315 [0,0,0,0,0,0|2,0,0]=2 101 B15R2.2195 c1ccc(cc1)SCc2ccccn2 62a_100000721315_100000041952 [0,0,0,0,0,0|2,0,0]=2 102 B15R2.2195 c1ccc(cc1)SCc2cccnc2 62a_100000719477_100000741622 [0,0,0,0,0,0|2,0,0]=2 103 B15R2.2195 c1ccc(cc1)SCc2cccnc2 62a_100000741622_100000041952 [0,0,0,0,0,0|2,0,0]=2 104 B15R2.2195 c1ccc(cc1)SCc2cccnn2 62a_100000719477_100016990269 [0,0,0,0,0,0|3,0,0]=3 105 B15R2.2195 c1ccc(cc1)SCc2cccnn2 62a_100016990269_100000041952 [0,0,0,0,0,0|3,0,0]=3 106 B15R2.2195 c1ccc(cc1)SCc2ccncc2 62a_100000719477_100015193705 [0,0,0,0,0,0|2,0,0]=2 107 B15R2.2195 c1ccc(cc1)SCc2ccncc2 62a_100015193705_100000041952 [0,0,0,0,0,0|2,0,0]=2 108 B15R2.2195 c1ccc(cc1)SCc2cnccn2 62a_100000719477_100016995436 [0,0,0,0,0,0|3,0,0]=3 109 B15R2.2195 c1ccc(cc1)SCc2cnccn2 62a_100016995436_100000041952 [0,0,0,0,0,0|3,0,0]=3 110 B15R2.2195 c1ccc(cc1)SCc2cncnc2 62a_100000719477_100015196519 [0,0,0,0,0,0|3,0,0]=3 111 B15R2.2195 c1ccc(cc1)SCc2cncnc2 62a_100015196519_100000041952 [0,0,0,0,0,0|3,0,0]=3 112 B15R2.2195 c1ccc(cc1)SCc2ncccn2 62a_100000703007_100000041952 [0,0,0,0,0,0|3,0,0]=3 113 B15R2.2195 c1ccc(cc1)SCc2ncccn2 62a_100000719477_100000703007 [0,0,0,0,0,0|3,0,0]=3 114 B15R2.2195 c1ccc(nc1)COc2cccnc2 34a_100000210849_100000721315 [0,0,0,0,0,0|3,1,0]=4 115 B15R2.2195 c1ccc(nc1)COc2cccnc2 7a_100000210849_100000721315 [0,0,0,0,0,0|3,1,0]=4 116 B15R2.2195 c1ccc(nc1)COc2ccncc2 34a_100000212176_100000721315 [0,0,0,0,0,0|3,1,0]=4 117 B15R2.2195 c1ccc(nc1)CSc2ccccn2 62a_100000721315_100011216584 [0,0,0,0,0,0|3,0,0]=3 118 B15R2.2195 c1ccc(nc1)CSc2ccccn2 62a_100011216584_100000721315 [0,0,0,0,0,0|3,0,0]=3 119 B15R2.2195 c1ccc(nc1)CSc2cccnc2 62a_100000210063_100000721315 [0,0,0,0,0,0|3,0,0]=3 120 B15R2.2195 c1ccc(nc1)CSc2cccnc2 62a_100000721315_100000210063 [0,0,0,0,0,0|3,0,0]=3 121 B15R2.2195 c1ccc(nc1)CSc2cccnn2 62a_100000721315_100016991348 [0,0,0,0,0,0|4,0,0]=4 122 B15R2.2195 c1ccc(nc1)CSc2cccnn2 62a_100016991348_100000721315 [0,0,0,0,0,0|4,0,0]=4 123 B15R2.2195 c1ccc(nc1)CSc2ccncc2 62a_100000721315_100000728582 [0,0,0,0,0,0|3,0,0]=3 124 B15R2.2195 c1ccc(nc1)CSc2ccncc2 62a_100000728582_100000721315 [0,0,0,0,0,0|3,0,0]=3 125 B15R2.2195 c1ccc(nc1)CSc2ccncn2 62a_100000703185_100000721315 [0,0,0,0,0,0|4,0,0]=4 126 B15R2.2195 c1ccc(nc1)CSc2ccncn2 62a_100000721315_100000703185 [0,0,0,0,0,0|4,0,0]=4 127 B15R2.2195 c1ccc(nc1)CSc2ccnnc2 62a_100000721315_100000732662 [0,0,0,0,0,0|4,0,0]=4 128 B15R2.2195 c1ccc(nc1)CSc2ccnnc2 62a_100000732662_100000721315 [0,0,0,0,0,0|4,0,0]=4 129 B15R2.2195 c1ccc(nc1)CSc2cnccn2 62a_100000211759_100000721315 [0,0,0,0,0,0|4,0,0]=4 130 B15R2.2195 c1ccc(nc1)CSc2cnccn2 62a_100000721315_100000211759 [0,0,0,0,0,0|4,0,0]=4 131 B15R2.2195 c1ccc(nc1)CSc2cncnc2 62a_100000721315_100011206942 [0,0,0,0,0,0|4,0,0]=4 132 B15R2.2195 c1ccc(nc1)CSc2cncnc2 62a_100011206942_100000721315 [0,0,0,0,0,0|4,0,0]=4 133 B15R2.2195 c1ccc(nc1)CSc2ncccn2 62a_100000211032_100000721315 [0,0,0,0,0,0|4,0,0]=4 134 B15R2.2195 c1ccc(nc1)CSc2ncccn2 62a_100000721315_100000211032 [0,0,0,0,0,0|4,0,0]=4 135 B15R2.2195 c1ccc(nc1)SCc2cccnc2 62a_100000741622_100011216584 [0,0,0,0,0,0|3,0,0]=3 136 B15R2.2195 c1ccc(nc1)SCc2cccnc2 62a_100011216584_100000741622 [0,0,0,0,0,0|3,0,0]=3 137 B15R2.2195 c1ccc(nc1)SCc2cccnn2 62a_100011216584_100016990269 [0,0,0,0,0,0|4,0,0]=4 138 B15R2.2195 c1ccc(nc1)SCc2cccnn2 62a_100016990269_100011216584 [0,0,0,0,0,0|4,0,0]=4 139 B15R2.2195 c1ccc(nc1)SCc2ccncc2 62a_100011216584_100015193705 [0,0,0,0,0,0|3,0,0]=3 140 B15R2.2195 c1ccc(nc1)SCc2ccncc2 62a_100015193705_100011216584 [0,0,0,0,0,0|3,0,0]=3 141 B15R2.2195 c1ccc(nc1)SCc2cnccn2 62a_100011216584_100016995436 [0,0,0,0,0,0|4,0,0]=4 142 B15R2.2195 c1ccc(nc1)SCc2cnccn2 62a_100016995436_100011216584 [0,0,0,0,0,0|4,0,0]=4 143 B15R2.2195 c1ccc(nc1)SCc2cncnc2 62a_100011216584_100015196519 [0,0,0,0,0,0|4,0,0]=4 144 B15R2.2195 c1ccc(nc1)SCc2cncnc2 62a_100015196519_100011216584 [0,0,0,0,0,0|4,0,0]=4 145 B15R2.2195 c1ccc(nc1)SCc2ncccn2 62a_100000703007_100011216584 [0,0,0,0,0,0|4,0,0]=4 146 B15R2.2195 c1ccc(nc1)SCc2ncccn2 62a_100011216584_100000703007 [0,0,0,0,0,0|4,0,0]=4 147 B15R2.2195 c1cnc(nc1)CSc2cccnc2 62a_100000210063_100000703007 [0,0,0,0,0,0|4,0,0]=4 148 B15R2.2195 c1cnc(nc1)CSc2cccnc2 62a_100000703007_100000210063 [0,0,0,0,0,0|4,0,0]=4 149 B15R2.2195 c1cnc(nc1)CSc2ccncc2 62a_100000703007_100000728582 [0,0,0,0,0,0|4,0,0]=4 150 B15R2.2195 c1cnc(nc1)CSc2ccncc2 62a_100000728582_100000703007 [0,0,0,0,0,0|4,0,0]=4 151 B15R2.2195 c1cnc(nc1)SCc2cccnc2 62a_100000211032_100000741622 [0,0,0,0,0,0|4,0,0]=4 152 B15R2.2195 c1cnc(nc1)SCc2cccnc2 62a_100000741622_100000211032 [0,0,0,0,0,0|4,0,0]=4 153 B15R2.2195 c1cnc(nc1)SCc2ccncc2 62a_100000211032_100015193705 [0,0,0,0,0,0|4,0,0]=4 154 B15R2.2195 c1cnc(nc1)SCc2ccncc2 62a_100015193705_100000211032 [0,0,0,0,0,0|4,0,0]=4 155 B15R2.2195 c1cncc(c1)COc2cccnc2 34a_100000210849_100000733263 [0,0,0,0,0,0|3,1,0]=4 156 B15R2.2195 c1cncc(c1)COc2cccnc2 7a_100000210849_100000741622 [0,0,0,0,0,0|3,1,0]=4 157 B15R2.2195 c1cncc(c1)COc2ccncc2 34a_100000212176_100000733263 [0,0,0,0,0,0|3,1,0]=4 158 B15R2.2195 c1cncc(c1)CSc2cccnc2 62a_100000210063_100000741622 [0,0,0,0,0,0|3,0,0]=3 159 B15R2.2195 c1cncc(c1)CSc2cccnc2 62a_100000741622_100000210063 [0,0,0,0,0,0|3,0,0]=3 160 B15R2.2195 c1cncc(c1)CSc2cccnn2 62a_100000741622_100016991348 [0,0,0,0,0,0|4,0,0]=4 161 B15R2.2195 c1cncc(c1)CSc2cccnn2 62a_100016991348_100000741622 [0,0,0,0,0,0|4,0,0]=4 162 B15R2.2195 c1cncc(c1)CSc2ccncc2 62a_100000728582_100000741622 [0,0,0,0,0,0|3,0,0]=3 163 B15R2.2195 c1cncc(c1)CSc2ccncc2 62a_100000741622_100000728582 [0,0,0,0,0,0|3,0,0]=3 164 B15R2.2195 c1cncc(c1)CSc2ccncn2 62a_100000703185_100000741622 [0,0,0,0,0,0|4,0,0]=4 165 B15R2.2195 c1cncc(c1)CSc2ccncn2 62a_100000741622_100000703185 [0,0,0,0,0,0|4,0,0]=4 166 B15R2.2195 c1cncc(c1)CSc2ccnnc2 62a_100000732662_100000741622 [0,0,0,0,0,0|4,0,0]=4 167 B15R2.2195 c1cncc(c1)CSc2ccnnc2 62a_100000741622_100000732662 [0,0,0,0,0,0|4,0,0]=4 168 B15R2.2195 c1cncc(c1)CSc2cnccn2 62a_100000211759_100000741622 [0,0,0,0,0,0|4,0,0]=4 169 B15R2.2195 c1cncc(c1)CSc2cnccn2 62a_100000741622_100000211759 [0,0,0,0,0,0|4,0,0]=4 170 B15R2.2195 c1cncc(c1)CSc2cncnc2 62a_100000741622_100011206942 [0,0,0,0,0,0|4,0,0]=4 171 B15R2.2195 c1cncc(c1)CSc2cncnc2 62a_100011206942_100000741622 [0,0,0,0,0,0|4,0,0]=4 172 B15R2.2195 c1cncc(c1)OCc2ccncc2 7a_100000210849_100015193705 [0,0,0,0,0,0|3,1,0]=4 173 B15R2.2195 c1cncc(c1)SCc2cccnn2 62a_100000210063_100016990269 [0,0,0,0,0,0|4,0,0]=4 174 B15R2.2195 c1cncc(c1)SCc2cccnn2 62a_100016990269_100000210063 [0,0,0,0,0,0|4,0,0]=4 175 B15R2.2195 c1cncc(c1)SCc2ccncc2 62a_100000210063_100015193705 [0,0,0,0,0,0|3,0,0]=3 176 B15R2.2195 c1cncc(c1)SCc2ccncc2 62a_100015193705_100000210063 [0,0,0,0,0,0|3,0,0]=3 177 B15R2.2195 c1cncc(c1)SCc2cnccn2 62a_100000210063_100016995436 [0,0,0,0,0,0|4,0,0]=4 178 B15R2.2195 c1cncc(c1)SCc2cnccn2 62a_100016995436_100000210063 [0,0,0,0,0,0|4,0,0]=4 179 B15R2.2195 c1cncc(c1)SCc2cncnc2 62a_100000210063_100015196519 [0,0,0,0,0,0|4,0,0]=4 180 B15R2.2195 c1cncc(c1)SCc2cncnc2 62a_100015196519_100000210063 [0,0,0,0,0,0|4,0,0]=4 181 B15R2.2195 c1cnnc(c1)CSc2ccncc2 62a_100000728582_100016990269 [0,0,0,0,0,0|4,0,0]=4 182 B15R2.2195 c1cnnc(c1)CSc2ccncc2 62a_100016990269_100000728582 [0,0,0,0,0,0|4,0,0]=4 183 B15R2.2195 c1cnnc(c1)SCc2ccncc2 62a_100015193705_100016991348 [0,0,0,0,0,0|4,0,0]=4 184 B15R2.2195 c1cnnc(c1)SCc2ccncc2 62a_100016991348_100015193705 [0,0,0,0,0,0|4,0,0]=4 185 B16R2.71 Brc1ccccc1C#Cc2ccccc2 271570a_100000069678_100000695589 [0,1,0,0,0,0|2,0,0]=3 186 B16R2.71 Brc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000695589 [0,1,0,0,0,0|2,0,0]=3 187 B16R2.71 Brc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000695589 [0,1,0,0,0,0|3,0,0]=4 188 B16R2.71 Brc1ccccc1CNc2ccccc2 207a_100000106764_100000211189 [0,1,0,0,0,0|2,0,0]=3 189 B16R2.71 Brc1ccccc1CNc2ccccc2 270302a_100000106764_100000211189 [0,1,0,0,0,0|2,0,0]=3 190 B16R2.71 Brc1ccccc1CNc2ccccc2 34a_100000106764_100000184730 [0,1,0,0,0,0|2,0,0]=3 191 B16R2.71 Brc1ccccc1COc2ccccc2 34a_100000210340_100000184730 [0,1,0,0,0,0|1,1,0]=3 192 B16R2.71 Brc1ccccc1COc2ccccc2 7a_100000210340_100000184730 [0,1,0,0,0,0|1,1,0]=3 193 B16R2.71 Brc1ccccc1COc2cccnc2 34a_100000210849_100000184730 [0,1,0,0,0,0|2,1,0]=4 194 B16R2.71 Brc1ccccc1COc2cccnc2 7a_100000210849_100000184730 [0,1,0,0,0,0|2,1,0]=4 195 B16R2.71 Brc1ccccc1COc2ccncc2 34a_100000212176_100000184730 [0,1,0,0,0,0|2,1,0]=4 196 B16R2.71 Brc1ccccc1CSc2ccccc2 62a_100000184730_100000041952 [0,1,0,0,0,0|1,0,0]=2 197 B16R2.71 Brc1ccccc1CSc2ccccc2 62a_100000719477_100000184730 [0,1,0,0,0,0|1,0,0]=2 198 B16R2.71 Brc1ccccc1CSc2ccccn2 62a_100000184730_100011216584 [0,1,0,0,0,0|2,0,0]=3 199 B16R2.71 Brc1ccccc1CSc2ccccn2 62a_100011216584_100000184730 [0,1,0,0,0,0|2,0,0]=3 200 B16R2.71 Brc1ccccc1CSc2cccnc2 62a_100000184730_100000210063 [0,1,0,0,0,0|2,0,0]=3 201 B16R2.71 Brc1ccccc1CSc2cccnc2 62a_100000210063_100000184730 [0,1,0,0,0,0|2,0,0]=3 202 B16R2.71 Brc1ccccc1CSc2cccnn2 62a_100000184730_100016991348 [0,1,0,0,0,0|3,0,0]=4 203 B16R2.71 Brc1ccccc1CSc2cccnn2 62a_100016991348_100000184730 [0,1,0,0,0,0|3,0,0]=4 204 B16R2.71 Brc1ccccc1CSc2ccncc2 62a_100000184730_100000728582 [0,1,0,0,0,0|2,0,0]=3 205 B16R2.71 Brc1ccccc1CSc2ccncc2 62a_100000728582_100000184730 [0,1,0,0,0,0|2,0,0]=3 206 B16R2.71 Brc1ccccc1CSc2ccncn2 62a_100000184730_100000703185 [0,1,0,0,0,0|3,0,0]=4 207 B16R2.71 Brc1ccccc1CSc2ccncn2 62a_100000703185_100000184730 [0,1,0,0,0,0|3,0,0]=4 208 B16R2.71 Brc1ccccc1CSc2ccnnc2 62a_100000184730_100000732662 [0,1,0,0,0,0|3,0,0]=4 209 B16R2.71 Brc1ccccc1CSc2ccnnc2 62a_100000732662_100000184730 [0,1,0,0,0,0|3,0,0]=4 210 B16R2.71 Brc1ccccc1CSc2cnccn2 62a_100000184730_100000211759 [0,1,0,0,0,0|3,0,0]=4 211 B16R2.71 Brc1ccccc1CSc2cnccn2 62a_100000211759_100000184730 [0,1,0,0,0,0|3,0,0]=4 212 B16R2.71 Brc1ccccc1CSc2cncnc2 62a_100000184730_100011206942 [0,1,0,0,0,0|3,0,0]=4 213 B16R2.71 Brc1ccccc1CSc2cncnc2 62a_100011206942_100000184730 [0,1,0,0,0,0|3,0,0]=4 214 B16R2.71 Brc1ccccc1CSc2ncccn2 62a_100000184730_100000211032 [0,1,0,0,0,0|3,0,0]=4 215 B16R2.71 Brc1ccccc1CSc2ncccn2 62a_100000211032_100000184730 [0,1,0,0,0,0|3,0,0]=4 216 B16R2.71 Brc1ccccc1NCc2ccccc2 207a_100000210017_100015611070 [0,1,0,0,0,0|2,0,0]=3 217 B16R2.71 Brc1ccccc1NCc2ccccc2 34a_100000210017_100015291786 [0,1,0,0,0,0|2,0,0]=3 218 B16R2.71 Brc1ccccc1NCc2ccccn2 207a_100000210017_100000209966 [0,1,0,0,0,0|3,0,0]=4 219 B16R2.71 Brc1ccccc1NCc2ccccn2 34a_100000210017_100000721315 [0,1,0,0,0,0|3,0,0]=4 220 B16R2.71 Brc1ccccc1NCc2cccnc2 207a_100000210017_100000209961 [0,1,0,0,0,0|3,0,0]=4 221 B16R2.71 Brc1ccccc1NCc2cccnc2 34a_100000210017_100000733263 [0,1,0,0,0,0|3,0,0]=4 222 B16R2.71 Brc1ccccc1NCc2ccncc2 207a_100000210017_100000186114 [0,1,0,0,0,0|3,0,0]=4 223 B16R2.71 Brc1ccccc1OCc2ccccc2 34a_100000181306_100015291786 [0,1,0,0,0,0|1,1,0]=3 224 B16R2.71 Brc1ccccc1OCc2ccccc2 7a_100000181306_100000211182 [0,1,0,0,0,0|1,1,0]=3 225 B16R2.71 Brc1ccccc1OCc2ccccn2 34a_100000181306_100000721315 [0,1,0,0,0,0|2,1,0]=4 226 B16R2.71 Brc1ccccc1OCc2ccccn2 7a_100000181306_100000721315 [0,1,0,0,0,0|2,1,0]=4 227 B16R2.71 Brc1ccccc1OCc2cccnc2 34a_100000181306_100000733263 [0,1,0,0,0,0|2,1,0]=4 228 B16R2.71 Brc1ccccc1OCc2cccnc2 7a_100000181306_100000741622 [0,1,0,0,0,0|2,1,0]=4 229 B16R2.71 Brc1ccccc1OCc2ccncc2 7a_100000181306_100015193705 [0,1,0,0,0,0|2,1,0]=4 230 B16R2.71 Brc1ccccc1SCc2ccccc2 62a_100000211182_100000695589 [0,1,0,0,0,0|1,0,0]=2 231 B16R2.71 Brc1ccccc1SCc2ccccc2 62a_100000695589_100015291786 [0,1,0,0,0,0|1,0,0]=2 232 B16R2.71 Brc1ccccc1SCc2ccccn2 62a_100000695589_100000721315 [0,1,0,0,0,0|2,0,0]=3 233 B16R2.71 Brc1ccccc1SCc2ccccn2 62a_100000721315_100000695589 [0,1,0,0,0,0|2,0,0]=3 234 B16R2.71 Brc1ccccc1SCc2cccnc2 62a_100000695589_100000741622 [0,1,0,0,0,0|2,0,0]=3 235 B16R2.71 Brc1ccccc1SCc2cccnc2 62a_100000741622_100000695589 [0,1,0,0,0,0|2,0,0]=3 236 B16R2.71 Brc1ccccc1SCc2cccnn2 62a_100000695589_100016990269 [0,1,0,0,0,0|3,0,0]=4 237 B16R2.71 Brc1ccccc1SCc2cccnn2 62a_100016990269_100000695589 [0,1,0,0,0,0|3,0,0]=4 238 B16R2.71 Brc1ccccc1SCc2ccncc2 62a_100000695589_100015193705 [0,1,0,0,0,0|2,0,0]=3 239 B16R2.71 Brc1ccccc1SCc2ccncc2 62a_100015193705_100000695589 [0,1,0,0,0,0|2,0,0]=3 240 B16R2.71 Brc1ccccc1SCc2cnccn2 62a_100000695589_100016995436 [0,1,0,0,0,0|3,0,0]=4 241 B16R2.71 Brc1ccccc1SCc2cnccn2 62a_100016995436_100000695589 [0,1,0,0,0,0|3,0,0]=4 242 B16R2.71 Brc1ccccc1SCc2cncnc2 62a_100000695589_100015196519 [0,1,0,0,0,0|3,0,0]=4 243 B16R2.71 Brc1ccccc1SCc2cncnc2 62a_100015196519_100000695589 [0,1,0,0,0,0|3,0,0]=4 244 B16R2.71 Brc1ccccc1SCc2ncccn2 62a_100000695589_100000703007 [0,1,0,0,0,0|3,0,0]=4 245 B16R2.71 Brc1ccccc1SCc2ncccn2 62a_100000703007_100000695589 [0,1,0,0,0,0|3,0,0]=4 246 B16R2.71 Brc1cccnc1C#Cc2ccccc2 271570a_100000069678_100000696092 [0,1,0,0,0,0|3,0,0]=4 247 B16R2.71 Brc1cccnc1C=Cc2ccccc2 271570a_100102527694_100000696092 [0,1,0,0,0,0|3,0,0]=4 248 B16R2.71 Brc1cccnc1CNc2ccccc2 207a_100000106764_100011934733 [0,1,0,0,0,0|3,0,0]=4 249 B16R2.71 Brc1cccnc1CNc2ccccc2 34a_100000106764_100025702911 [0,1,0,0,0,0|3,0,0]=4 250 B16R2.71 Brc1cccnc1COc2ccccc2 34a_100000210340_100025702911 [0,1,0,0,0,0|2,1,0]=4 251 B16R2.71 Brc1cccnc1COc2ccccc2 7a_100000210340_100025702911 [0,1,0,0,0,0|2,1,0]=4 252 B16R2.71 Brc1cccnc1CSc2ccccc2 62a_100000719477_100025702911 [0,1,0,0,0,0|2,0,0]=3 253 B16R2.71 Brc1cccnc1CSc2ccccc2 62a_100025702911_100000041952 [0,1,0,0,0,0|2,0,0]=3 254 B16R2.71 Brc1cccnc1CSc2ccccn2 62a_100011216584_100025702911 [0,1,0,0,0,0|3,0,0]=4 255 B16R2.71 Brc1cccnc1CSc2ccccn2 62a_100025702911_100011216584 [0,1,0,0,0,0|3,0,0]=4 256 B16R2.71 Brc1cccnc1CSc2cccnc2 62a_100000210063_100025702911 [0,1,0,0,0,0|3,0,0]=4 257 B16R2.71 Brc1cccnc1CSc2cccnc2 62a_100025702911_100000210063 [0,1,0,0,0,0|3,0,0]=4 258 B16R2.71 Brc1cccnc1CSc2ccncc2 62a_100000728582_100025702911 [0,1,0,0,0,0|3,0,0]=4 259 B16R2.71 Brc1cccnc1CSc2ccncc2 62a_100025702911_100000728582 [0,1,0,0,0,0|3,0,0]=4 260 B16R2.71 Brc1cccnc1NCc2ccccc2 27a_100015324214_100000696092 [0,1,0,0,0,0|3,0,0]=4 261 B16R2.71 Brc1cccnc1SCc2ccccc2 62a_100000211182_100000696092 [0,1,0,0,0,0|2,0,0]=3 262 B16R2.71 Brc1cccnc1SCc2ccccc2 62a_100000696092_100015291786 [0,1,0,0,0,0|2,0,0]=3 263 B16R2.71 Brc1cccnc1SCc2ccccn2 62a_100000696092_100000721315 [0,1,0,0,0,0|3,0,0]=4 264 B16R2.71 Brc1cccnc1SCc2ccccn2 62a_100000721315_100000696092 [0,1,0,0,0,0|3,0,0]=4 265 B16R2.71 Brc1cccnc1SCc2cccnc2 62a_100000696092_100000741622 [0,1,0,0,0,0|3,0,0]=4 266 B16R2.71 Brc1cccnc1SCc2cccnc2 62a_100000741622_100000696092 [0,1,0,0,0,0|3,0,0]=4 267 B16R2.71 Brc1cccnc1SCc2ccncc2 62a_100000696092_100015193705 [0,1,0,0,0,0|3,0,0]=4 268 B16R2.71 Brc1cccnc1SCc2ccncc2 62a_100015193705_100000696092 [0,1,0,0,0,0|3,0,0]=4 269 B16R2.71 Brc1ccncc1C#Cc2ccccc2 271570a_100000069678_100010138639 [0,1,0,0,0,0|3,0,0]=4 270 B16R2.71 Brc1ccncc1C=Cc2ccccc2 271570a_100102527694_100010138639 [0,1,0,0,0,0|3,0,0]=4 271 B16R2.71 Brc1ccncc1SCc2ccccc2 62a_100000211182_100010138639 [0,1,0,0,0,0|2,0,0]=3 272 B16R2.71 Brc1ccncc1SCc2ccccc2 62a_100010138639_100015291786 [0,1,0,0,0,0|2,0,0]=3 273 B16R2.71 Brc1ccncc1SCc2ccccn2 62a_100000721315_100010138639 [0,1,0,0,0,0|3,0,0]=4 274 B16R2.71 Brc1ccncc1SCc2ccccn2 62a_100010138639_100000721315 [0,1,0,0,0,0|3,0,0]=4 275 B16R2.71 Brc1ccncc1SCc2cccnc2 62a_100000741622_100010138639 [0,1,0,0,0,0|3,0,0]=4 276 B16R2.71 Brc1ccncc1SCc2cccnc2 62a_100010138639_100000741622 [0,1,0,0,0,0|3,0,0]=4 277 B16R2.71 Brc1ccncc1SCc2ccncc2 62a_100010138639_100015193705 [0,1,0,0,0,0|3,0,0]=4 278 B16R2.71 Brc1ccncc1SCc2ccncc2 62a_100015193705_100010138639 [0,1,0,0,0,0|3,0,0]=4 279 B16R2.71 Brc1cnccc1C#Cc2ccccc2 271570a_100000069678_100000726257 [0,1,0,0,0,0|3,0,0]=4 280 B16R2.71 Brc1cnccc1C=Cc2ccccc2 271570a_100102527694_100000726257 [0,1,0,0,0,0|3,0,0]=4 281 B16R2.71 Brc1cnccc1NCc2ccccc2 27a_100015324214_100000726257 [0,1,0,0,0,0|3,0,0]=4 282 B16R2.71 Brc1cnccc1OCc2ccccc2 34a_100011996408_100015291786 [0,1,0,0,0,0|2,1,0]=4 283 B16R2.71 Brc1cnccc1SCc2ccccc2 62a_100000211182_100000726257 [0,1,0,0,0,0|2,0,0]=3 284 B16R2.71 Brc1cnccc1SCc2ccccc2 62a_100000726257_100015291786 [0,1,0,0,0,0|2,0,0]=3 285 B16R2.71 Brc1cnccc1SCc2ccccn2 62a_100000721315_100000726257 [0,1,0,0,0,0|3,0,0]=4 286 B16R2.71 Brc1cnccc1SCc2ccccn2 62a_100000726257_100000721315 [0,1,0,0,0,0|3,0,0]=4 287 B16R2.71 Brc1cnccc1SCc2cccnc2 62a_100000726257_100000741622 [0,1,0,0,0,0|3,0,0]=4 288 B16R2.71 Brc1cnccc1SCc2cccnc2 62a_100000741622_100000726257 [0,1,0,0,0,0|3,0,0]=4 289 B16R2.71 Brc1cnccc1SCc2ccncc2 62a_100000726257_100015193705 [0,1,0,0,0,0|3,0,0]=4 290 B16R2.71 Brc1cnccc1SCc2ccncc2 62a_100015193705_100000726257 [0,1,0,0,0,0|3,0,0]=4 291 B16R2.71 Brc1ncccc1C#Cc2ccccc2 271570a_100000069678_100010202626 [0,1,0,0,0,0|3,0,0]=4 292 B16R2.71 Brc1ncccc1C=Cc2ccccc2 271570a_100102527694_100010202626 [0,1,0,0,0,0|3,0,0]=4 293 B16R2.71 Brc1ncccc1CNc2ccccc2 34a_100000106764_100010140945 [0,1,0,0,0,0|3,0,0]=4 294 B16R2.71 Brc1ncccc1COc2ccccc2 34a_100000210340_100010140945 [0,1,0,0,0,0|2,1,0]=4 295 B16R2.71 Brc1ncccc1COc2ccccc2 7a_100000210340_100010140945 [0,1,0,0,0,0|2,1,0]=4 296 B16R2.71 Brc1ncccc1CSc2ccccc2 62a_100000719477_100010140945 [0,1,0,0,0,0|2,0,0]=3 297 B16R2.71 Brc1ncccc1CSc2ccccc2 62a_100010140945_100000041952 [0,1,0,0,0,0|2,0,0]=3 298 B16R2.71 Brc1ncccc1CSc2ccccn2 62a_100010140945_100011216584 [0,1,0,0,0,0|3,0,0]=4 299 B16R2.71 Brc1ncccc1CSc2ccccn2 62a_100011216584_100010140945 [0,1,0,0,0,0|3,0,0]=4 300 B16R2.71 Brc1ncccc1CSc2cccnc2 62a_100000210063_100010140945 [0,1,0,0,0,0|3,0,0]=4 301 B16R2.71 Brc1ncccc1CSc2cccnc2 62a_100010140945_100000210063 [0,1,0,0,0,0|3,0,0]=4 302 B16R2.71 Brc1ncccc1CSc2ccncc2 62a_100000728582_100010140945 [0,1,0,0,0,0|3,0,0]=4 303 B16R2.71 Brc1ncccc1CSc2ccncc2 62a_100010140945_100000728582 [0,1,0,0,0,0|3,0,0]=4 304 B16R2.71 Brc1ncccc1OCc2ccccc2 34a_100000744436_100015291786 [0,1,0,0,0,0|2,1,0]=4 305 B16R2.71 Brc1ncccc1OCc2ccccc2 7a_100000744436_100000211182 [0,1,0,0,0,0|2,1,0]=4 306 B16R2.71 Brc1ncccc1SCc2ccccc2 62a_100000211182_100010202626 [0,1,0,0,0,0|2,0,0]=3 307 B16R2.71 Brc1ncccc1SCc2ccccc2 62a_100010202626_100015291786 [0,1,0,0,0,0|2,0,0]=3 308 B16R2.71 Brc1ncccc1SCc2ccccn2 62a_100000721315_100010202626 [0,1,0,0,0,0|3,0,0]=4 309 B16R2.71 Brc1ncccc1SCc2ccccn2 62a_100010202626_100000721315 [0,1,0,0,0,0|3,0,0]=4 310 B16R2.71 Brc1ncccc1SCc2cccnc2 62a_100000741622_100010202626 [0,1,0,0,0,0|3,0,0]=4 311 B16R2.71 Brc1ncccc1SCc2cccnc2 62a_100010202626_100000741622 [0,1,0,0,0,0|3,0,0]=4 312 B16R2.71 Brc1ncccc1SCc2ccncc2 62a_100010202626_100015193705 [0,1,0,0,0,0|3,0,0]=4 313 B16R2.71 Brc1ncccc1SCc2ccncc2 62a_100015193705_100010202626 [0,1,0,0,0,0|3,0,0]=4 314 B16R2.71 Brc1ncncc1SCc2ccccc2 62a_100000211182_200012461658 [0,1,0,0,0,0|3,0,0]=4 315 B16R2.71 Brc1ncncc1SCc2ccccc2 62a_200012461658_100015291786 [0,1,0,0,0,0|3,0,0]=4 316 B16R2.71 C[n+]1ccccc1C#Cc2ccccc2 271570a_100000069678_100000212160 [0,1,0,0,0,0|3,0,0]=4 317 B16R2.71 C[n+]1ccccc1C=Cc2ccccc2 271570a_100102527694_100000212160 [0,1,0,0,0,0|3,0,0]=4 318 B16R2.71 C[n+]1ccccc1SCc2ccccc2 62a_100000211182_100000212160 [0,1,0,0,0,0|2,0,0]=3 319 B16R2.71 C[n+]1ccccc1SCc2ccccn2 62a_100000721315_100000212160 [0,1,0,0,0,0|3,0,0]=4 320 B16R2.71 C[n+]1ccccc1SCc2cccnc2 62a_100000741622_100000212160 [0,1,0,0,0,0|3,0,0]=4 321 B16R2.71 C[n+]1ccccc1SCc2ccncc2 62a_100015193705_100000212160 [0,1,0,0,0,0|3,0,0]=4 322 B16R2.71 Cc1ccccc1C#Cc2ccccc2 271570a_100000069678_100000210755 [0,1,0,0,0,0|2,0,0]=3 323 B16R2.71 Cc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000210755 [0,1,0,0,0,0|2,0,0]=3 324 B16R2.71 Cc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000210755 [0,1,0,0,0,0|3,0,0]=4 325 B16R2.71 Cc1ccccc1CNc2ccccc2 207a_100000106764_100000211143 [0,1,0,0,0,0|2,0,0]=3 326 B16R2.71 Cc1ccccc1CNc2ccccc2 270302a_100000106764_100000211143 [0,1,0,0,0,0|2,0,0]=3 327 B16R2.71 Cc1ccccc1CNc2ccccc2 34a_100000106764_100000211839 [0,1,0,0,0,0|2,0,0]=3 328 B16R2.71 Cc1ccccc1COc2ccccc2 34a_100000210340_100000211839 [0,1,0,0,0,0|1,1,0]=3 329 B16R2.71 Cc1ccccc1COc2ccccc2 7a_100000210340_100000211839 [0,1,0,0,0,0|1,1,0]=3 330 B16R2.71 Cc1ccccc1COc2cccnc2 34a_100000210849_100000211839 [0,1,0,0,0,0|2,1,0]=4 331 B16R2.71 Cc1ccccc1COc2cccnc2 7a_100000210849_100000211839 [0,1,0,0,0,0|2,1,0]=4 332 B16R2.71 Cc1ccccc1COc2ccncc2 34a_100000212176_100000211839 [0,1,0,0,0,0|2,1,0]=4 333 B16R2.71 Cc1ccccc1CSc2ccccc2 62a_100000211839_100000041952 [0,1,0,0,0,0|1,0,0]=2 334 B16R2.71 Cc1ccccc1CSc2ccccc2 62a_100000719477_100000211839 [0,1,0,0,0,0|1,0,0]=2 335 B16R2.71 Cc1ccccc1CSc2ccccn2 62a_100000211839_100011216584 [0,1,0,0,0,0|2,0,0]=3 336 B16R2.71 Cc1ccccc1CSc2ccccn2 62a_100011216584_100000211839 [0,1,0,0,0,0|2,0,0]=3 337 B16R2.71 Cc1ccccc1CSc2cccnc2 62a_100000210063_100000211839 [0,1,0,0,0,0|2,0,0]=3 338 B16R2.71 Cc1ccccc1CSc2cccnc2 62a_100000211839_100000210063 [0,1,0,0,0,0|2,0,0]=3 339 B16R2.71 Cc1ccccc1CSc2cccnn2 62a_100000211839_100016991348 [0,1,0,0,0,0|3,0,0]=4 340 B16R2.71 Cc1ccccc1CSc2cccnn2 62a_100016991348_100000211839 [0,1,0,0,0,0|3,0,0]=4 341 B16R2.71 Cc1ccccc1CSc2ccncc2 62a_100000211839_100000728582 [0,1,0,0,0,0|2,0,0]=3 342 B16R2.71 Cc1ccccc1CSc2ccncc2 62a_100000728582_100000211839 [0,1,0,0,0,0|2,0,0]=3 343 B16R2.71 Cc1ccccc1CSc2ccncn2 62a_100000211839_100000703185 [0,1,0,0,0,0|3,0,0]=4 344 B16R2.71 Cc1ccccc1CSc2ccncn2 62a_100000703185_100000211839 [0,1,0,0,0,0|3,0,0]=4 345 B16R2.71 Cc1ccccc1CSc2ccnnc2 62a_100000211839_100000732662 [0,1,0,0,0,0|3,0,0]=4 346 B16R2.71 Cc1ccccc1CSc2ccnnc2 62a_100000732662_100000211839 [0,1,0,0,0,0|3,0,0]=4 347 B16R2.71 Cc1ccccc1CSc2cnccn2 62a_100000211759_100000211839 [0,1,0,0,0,0|3,0,0]=4 348 B16R2.71 Cc1ccccc1CSc2cnccn2 62a_100000211839_100000211759 [0,1,0,0,0,0|3,0,0]=4 349 B16R2.71 Cc1ccccc1CSc2cncnc2 62a_100000211839_100011206942 [0,1,0,0,0,0|3,0,0]=4 350 B16R2.71 Cc1ccccc1CSc2cncnc2 62a_100011206942_100000211839 [0,1,0,0,0,0|3,0,0]=4 351 B16R2.71 Cc1ccccc1CSc2ncccn2 62a_100000211032_100000211839 [0,1,0,0,0,0|3,0,0]=4 352 B16R2.71 Cc1ccccc1CSc2ncccn2 62a_100000211839_100000211032 [0,1,0,0,0,0|3,0,0]=4 353 B16R2.71 Cc1ccccc1NCc2ccccc2 207a_100015192222_100015611070 [0,1,0,0,0,0|2,0,0]=3 354 B16R2.71 Cc1ccccc1NCc2ccccc2 270302a_100015192222_100015611070 [0,1,0,0,0,0|2,0,0]=3 355 B16R2.71 Cc1ccccc1NCc2ccccc2 34a_100015192222_100015291786 [0,1,0,0,0,0|2,0,0]=3 356 B16R2.71 Cc1ccccc1NCc2ccccn2 207a_100015192222_100000209966 [0,1,0,0,0,0|3,0,0]=4 357 B16R2.71 Cc1ccccc1NCc2ccccn2 270302a_100015192222_100000209966 [0,1,0,0,0,0|3,0,0]=4 358 B16R2.71 Cc1ccccc1NCc2ccccn2 34a_100015192222_100000721315 [0,1,0,0,0,0|3,0,0]=4 359 B16R2.71 Cc1ccccc1NCc2cccnc2 207a_100015192222_100000209961 [0,1,0,0,0,0|3,0,0]=4 360 B16R2.71 Cc1ccccc1NCc2cccnc2 270302a_100015192222_100000209961 [0,1,0,0,0,0|3,0,0]=4 361 B16R2.71 Cc1ccccc1NCc2cccnc2 34a_100015192222_100000733263 [0,1,0,0,0,0|3,0,0]=4 362 B16R2.71 Cc1ccccc1NCc2ccncc2 207a_100015192222_100000186114 [0,1,0,0,0,0|3,0,0]=4 363 B16R2.71 Cc1ccccc1OCc2ccccc2 34a_100000210338_100015291786 [0,1,0,0,0,0|1,1,0]=3 364 B16R2.71 Cc1ccccc1OCc2ccccc2 7a_100000210338_100000211182 [0,1,0,0,0,0|1,1,0]=3 365 B16R2.71 Cc1ccccc1OCc2ccccn2 34a_100000210338_100000721315 [0,1,0,0,0,0|2,1,0]=4 366 B16R2.71 Cc1ccccc1OCc2ccccn2 7a_100000210338_100000721315 [0,1,0,0,0,0|2,1,0]=4 367 B16R2.71 Cc1ccccc1OCc2cccnc2 34a_100000210338_100000733263 [0,1,0,0,0,0|2,1,0]=4 368 B16R2.71 Cc1ccccc1OCc2cccnc2 7a_100000210338_100000741622 [0,1,0,0,0,0|2,1,0]=4 369 B16R2.71 Cc1ccccc1OCc2ccncc2 7a_100000210338_100015193705 [0,1,0,0,0,0|2,1,0]=4 370 B16R2.71 Cc1ccccc1SCc2ccccc2 62a_100000210755_100015291786 [0,1,0,0,0,0|1,0,0]=2 371 B16R2.71 Cc1ccccc1SCc2ccccc2 62a_100000211182_100000210755 [0,1,0,0,0,0|1,0,0]=2 372 B16R2.71 Cc1ccccc1SCc2ccccn2 62a_100000210755_100000721315 [0,1,0,0,0,0|2,0,0]=3 373 B16R2.71 Cc1ccccc1SCc2ccccn2 62a_100000721315_100000210755 [0,1,0,0,0,0|2,0,0]=3 374 B16R2.71 Cc1ccccc1SCc2cccnc2 62a_100000210755_100000741622 [0,1,0,0,0,0|2,0,0]=3 375 B16R2.71 Cc1ccccc1SCc2cccnc2 62a_100000741622_100000210755 [0,1,0,0,0,0|2,0,0]=3 376 B16R2.71 Cc1ccccc1SCc2cccnn2 62a_100000210755_100016990269 [0,1,0,0,0,0|3,0,0]=4 377 B16R2.71 Cc1ccccc1SCc2cccnn2 62a_100016990269_100000210755 [0,1,0,0,0,0|3,0,0]=4 378 B16R2.71 Cc1ccccc1SCc2ccncc2 62a_100000210755_100015193705 [0,1,0,0,0,0|2,0,0]=3 379 B16R2.71 Cc1ccccc1SCc2ccncc2 62a_100015193705_100000210755 [0,1,0,0,0,0|2,0,0]=3 380 B16R2.71 Cc1ccccc1SCc2cnccn2 62a_100000210755_100016995436 [0,1,0,0,0,0|3,0,0]=4 381 B16R2.71 Cc1ccccc1SCc2cnccn2 62a_100016995436_100000210755 [0,1,0,0,0,0|3,0,0]=4 382 B16R2.71 Cc1ccccc1SCc2cncnc2 62a_100000210755_100015196519 [0,1,0,0,0,0|3,0,0]=4 383 B16R2.71 Cc1ccccc1SCc2cncnc2 62a_100015196519_100000210755 [0,1,0,0,0,0|3,0,0]=4 384 B16R2.71 Cc1ccccc1SCc2ncccn2 62a_100000210755_100000703007 [0,1,0,0,0,0|3,0,0]=4 385 B16R2.71 Cc1ccccc1SCc2ncccn2 62a_100000703007_100000210755 [0,1,0,0,0,0|3,0,0]=4 386 B16R2.71 Cc1cccnc1C#Cc2ccccc2 271570a_100000069678_100000751373 [0,1,0,0,0,0|3,0,0]=4 387 B16R2.71 Cc1cccnc1C=Cc2ccccc2 271570a_100102527694_100000751373 [0,1,0,0,0,0|3,0,0]=4 388 B16R2.71 Cc1cccnc1CNc2ccccc2 207a_100000106764_100000698913 [0,1,0,0,0,0|3,0,0]=4 389 B16R2.71 Cc1cccnc1CNc2ccccc2 34a_100000106764_100000696600 [0,1,0,0,0,0|3,0,0]=4 390 B16R2.71 Cc1cccnc1COc2ccccc2 34a_100000210340_100000696600 [0,1,0,0,0,0|2,1,0]=4 391 B16R2.71 Cc1cccnc1COc2ccccc2 7a_100000210340_100000696600 [0,1,0,0,0,0|2,1,0]=4 392 B16R2.71 Cc1cccnc1CSc2ccccc2 62a_100000696600_100000041952 [0,1,0,0,0,0|2,0,0]=3 393 B16R2.71 Cc1cccnc1CSc2ccccc2 62a_100000719477_100000696600 [0,1,0,0,0,0|2,0,0]=3 394 B16R2.71 Cc1cccnc1CSc2ccccn2 62a_100000696600_100011216584 [0,1,0,0,0,0|3,0,0]=4 395 B16R2.71 Cc1cccnc1CSc2ccccn2 62a_100011216584_100000696600 [0,1,0,0,0,0|3,0,0]=4 396 B16R2.71 Cc1cccnc1CSc2cccnc2 62a_100000210063_100000696600 [0,1,0,0,0,0|3,0,0]=4 397 B16R2.71 Cc1cccnc1CSc2cccnc2 62a_100000696600_100000210063 [0,1,0,0,0,0|3,0,0]=4 398 B16R2.71 Cc1cccnc1CSc2ccncc2 62a_100000696600_100000728582 [0,1,0,0,0,0|3,0,0]=4 399 B16R2.71 Cc1cccnc1CSc2ccncc2 62a_100000728582_100000696600 [0,1,0,0,0,0|3,0,0]=4 400 B16R2.71 Cc1cccnc1SCc2ccccc2 62a_100000211182_100000751373 [0,1,0,0,0,0|2,0,0]=3 401 B16R2.71 Cc1cccnc1SCc2ccccc2 62a_100000751373_100015291786 [0,1,0,0,0,0|2,0,0]=3 402 B16R2.71 Cc1cccnc1SCc2ccccn2 62a_100000721315_100000751373 [0,1,0,0,0,0|3,0,0]=4 403 B16R2.71 Cc1cccnc1SCc2ccccn2 62a_100000751373_100000721315 [0,1,0,0,0,0|3,0,0]=4 404 B16R2.71 Cc1cccnc1SCc2cccnc2 62a_100000741622_100000751373 [0,1,0,0,0,0|3,0,0]=4 405 B16R2.71 Cc1cccnc1SCc2cccnc2 62a_100000751373_100000741622 [0,1,0,0,0,0|3,0,0]=4 406 B16R2.71 Cc1cccnc1SCc2ccncc2 62a_100000751373_100015193705 [0,1,0,0,0,0|3,0,0]=4 407 B16R2.71 Cc1cccnc1SCc2ccncc2 62a_100015193705_100000751373 [0,1,0,0,0,0|3,0,0]=4 408 B16R2.71 Cc1ccncc1C#Cc2ccccc2 271570a_100000069678_100000761580 [0,1,0,0,0,0|3,0,0]=4 409 B16R2.71 Cc1ccncc1C=Cc2ccccc2 271570a_100102527694_100000761580 [0,1,0,0,0,0|3,0,0]=4 410 B16R2.71 Cc1ccncc1CNc2ccccc2 207a_100000106764_100000685662 [0,1,0,0,0,0|3,0,0]=4 411 B16R2.71 Cc1ccncc1CNc2ccccc2 34a_100000106764_100000690890 [0,1,0,0,0,0|3,0,0]=4 412 B16R2.71 Cc1ccncc1COc2ccccc2 34a_100000210340_100000690890 [0,1,0,0,0,0|2,1,0]=4 413 B16R2.71 Cc1ccncc1COc2ccccc2 7a_100000210340_100000690890 [0,1,0,0,0,0|2,1,0]=4 414 B16R2.71 Cc1ccncc1CSc2ccccc2 62a_100000690890_100000041952 [0,1,0,0,0,0|2,0,0]=3 415 B16R2.71 Cc1ccncc1CSc2ccccc2 62a_100000719477_100000690890 [0,1,0,0,0,0|2,0,0]=3 416 B16R2.71 Cc1ccncc1CSc2ccccn2 62a_100000690890_100011216584 [0,1,0,0,0,0|3,0,0]=4 417 B16R2.71 Cc1ccncc1CSc2ccccn2 62a_100011216584_100000690890 [0,1,0,0,0,0|3,0,0]=4 418 B16R2.71 Cc1ccncc1CSc2cccnc2 62a_100000210063_100000690890 [0,1,0,0,0,0|3,0,0]=4 419 B16R2.71 Cc1ccncc1CSc2cccnc2 62a_100000690890_100000210063 [0,1,0,0,0,0|3,0,0]=4 420 B16R2.71 Cc1ccncc1CSc2ccncc2 62a_100000690890_100000728582 [0,1,0,0,0,0|3,0,0]=4 421 B16R2.71 Cc1ccncc1CSc2ccncc2 62a_100000728582_100000690890 [0,1,0,0,0,0|3,0,0]=4 422 B16R2.71 Cc1ccncc1OCc2ccccc2 34a_100011997053_100015291786 [0,1,0,0,0,0|2,1,0]=4 423 B16R2.71 Cc1ccncc1OCc2ccccc2 7a_100011997053_100000211182 [0,1,0,0,0,0|2,1,0]=4 424 B16R2.71 Cc1ccncc1SCc2ccccc2 62a_100000211182_100000761580 [0,1,0,0,0,0|2,0,0]=3 425 B16R2.71 Cc1ccncc1SCc2ccccc2 62a_100000761580_100015291786 [0,1,0,0,0,0|2,0,0]=3 426 B16R2.71 Cc1ccncc1SCc2ccccn2 62a_100000721315_100000761580 [0,1,0,0,0,0|3,0,0]=4 427 B16R2.71 Cc1ccncc1SCc2ccccn2 62a_100000761580_100000721315 [0,1,0,0,0,0|3,0,0]=4 428 B16R2.71 Cc1ccncc1SCc2cccnc2 62a_100000741622_100000761580 [0,1,0,0,0,0|3,0,0]=4 429 B16R2.71 Cc1ccncc1SCc2cccnc2 62a_100000761580_100000741622 [0,1,0,0,0,0|3,0,0]=4 430 B16R2.71 Cc1ccncc1SCc2ccncc2 62a_100000761580_100015193705 [0,1,0,0,0,0|3,0,0]=4 431 B16R2.71 Cc1ccncc1SCc2ccncc2 62a_100015193705_100000761580 [0,1,0,0,0,0|3,0,0]=4 432 B16R2.71 Cc1ccnnc1SCc2ccccc2 62a_100000211182_100000089043 [0,1,0,0,0,0|3,0,0]=4 433 B16R2.71 Cc1cnccc1C#Cc2ccccc2 271570a_100000069678_100015191297 [0,1,0,0,0,0|3,0,0]=4 434 B16R2.71 Cc1cnccc1C=Cc2ccccc2 271570a_100102527694_100015191297 [0,1,0,0,0,0|3,0,0]=4 435 B16R2.71 Cc1cnccc1CNc2ccccc2 34a_100000106764_100020672809 [0,1,0,0,0,0|3,0,0]=4 436 B16R2.71 Cc1cnccc1COc2ccccc2 34a_100000210340_100020672809 [0,1,0,0,0,0|2,1,0]=4 437 B16R2.71 Cc1cnccc1COc2ccccc2 7a_100000210340_100020672808 [0,1,0,0,0,0|2,1,0]=4 438 B16R2.71 Cc1cnccc1CSc2ccccc2 62a_100000719477_100020672808 [0,1,0,0,0,0|2,0,0]=3 439 B16R2.71 Cc1cnccc1CSc2ccccc2 62a_100020672808_100000041952 [0,1,0,0,0,0|2,0,0]=3 440 B16R2.71 Cc1cnccc1CSc2ccccn2 62a_100011216584_100020672808 [0,1,0,0,0,0|3,0,0]=4 441 B16R2.71 Cc1cnccc1CSc2ccccn2 62a_100020672808_100011216584 [0,1,0,0,0,0|3,0,0]=4 442 B16R2.71 Cc1cnccc1CSc2cccnc2 62a_100000210063_100020672808 [0,1,0,0,0,0|3,0,0]=4 443 B16R2.71 Cc1cnccc1CSc2cccnc2 62a_100020672808_100000210063 [0,1,0,0,0,0|3,0,0]=4 444 B16R2.71 Cc1cnccc1CSc2ccncc2 62a_100000728582_100020672808 [0,1,0,0,0,0|3,0,0]=4 445 B16R2.71 Cc1cnccc1CSc2ccncc2 62a_100020672808_100000728582 [0,1,0,0,0,0|3,0,0]=4 446 B16R2.71 Cc1cnccc1NCc2ccccc2 27a_100015324214_100000765111 [0,1,0,0,0,0|3,0,0]=4 447 B16R2.71 Cc1cnccc1OCc2ccccc2 34a_100000694293_100015291786 [0,1,0,0,0,0|2,1,0]=4 448 B16R2.71 Cc1cnccc1SCc2ccccc2 62a_100000211182_100000765111 [0,1,0,0,0,0|2,0,0]=3 449 B16R2.71 Cc1cnccc1SCc2ccccc2 62a_100000765111_100015291786 [0,1,0,0,0,0|2,0,0]=3 450 B16R2.71 Cc1cnccc1SCc2ccccn2 62a_100000721315_100000765111 [0,1,0,0,0,0|3,0,0]=4 451 B16R2.71 Cc1cnccc1SCc2ccccn2 62a_100000765111_100000721315 [0,1,0,0,0,0|3,0,0]=4 452 B16R2.71 Cc1cnccc1SCc2cccnc2 62a_100000741622_100000765111 [0,1,0,0,0,0|3,0,0]=4 453 B16R2.71 Cc1cnccc1SCc2cccnc2 62a_100000765111_100000741622 [0,1,0,0,0,0|3,0,0]=4 454 B16R2.71 Cc1cnccc1SCc2ccncc2 62a_100000765111_100015193705 [0,1,0,0,0,0|3,0,0]=4 455 B16R2.71 Cc1cnccc1SCc2ccncc2 62a_100015193705_100000765111 [0,1,0,0,0,0|3,0,0]=4 456 B16R2.71 Cc1cncnc1SCc2ccccc2 62a_100000211182_100011998708 [0,1,0,0,0,0|3,0,0]=4 457 B16R2.71 Cc1cncnc1SCc2ccccc2 62a_100011998708_100015291786 [0,1,0,0,0,0|3,0,0]=4 458 B16R2.71 Cc1ncccc1C#Cc2ccccc2 271570a_100000069678_100000751574 [0,1,0,0,0,0|3,0,0]=4 459 B16R2.71 Cc1ncccc1C=Cc2ccccc2 271570a_100102527694_100000751574 [0,1,0,0,0,0|3,0,0]=4 460 B16R2.71 Cc1ncccc1CNc2ccccc2 207a_100000106764_100000751968 [0,1,0,0,0,0|3,0,0]=4 461 B16R2.71 Cc1ncccc1CNc2ccccc2 34a_100000106764_100000732876 [0,1,0,0,0,0|3,0,0]=4 462 B16R2.71 Cc1ncccc1COc2ccccc2 34a_100000210340_100000732876 [0,1,0,0,0,0|2,1,0]=4 463 B16R2.71 Cc1ncccc1COc2ccccc2 7a_100000210340_100000732876 [0,1,0,0,0,0|2,1,0]=4 464 B16R2.71 Cc1ncccc1CSc2ccccc2 62a_100000719477_100000732876 [0,1,0,0,0,0|2,0,0]=3 465 B16R2.71 Cc1ncccc1CSc2ccccc2 62a_100000732876_100000041952 [0,1,0,0,0,0|2,0,0]=3 466 B16R2.71 Cc1ncccc1CSc2ccccn2 62a_100000732876_100011216584 [0,1,0,0,0,0|3,0,0]=4 467 B16R2.71 Cc1ncccc1CSc2ccccn2 62a_100011216584_100000732876 [0,1,0,0,0,0|3,0,0]=4 468 B16R2.71 Cc1ncccc1CSc2cccnc2 62a_100000210063_100000732876 [0,1,0,0,0,0|3,0,0]=4 469 B16R2.71 Cc1ncccc1CSc2cccnc2 62a_100000732876_100000210063 [0,1,0,0,0,0|3,0,0]=4 470 B16R2.71 Cc1ncccc1CSc2ccncc2 62a_100000728582_100000732876 [0,1,0,0,0,0|3,0,0]=4 471 B16R2.71 Cc1ncccc1CSc2ccncc2 62a_100000732876_100000728582 [0,1,0,0,0,0|3,0,0]=4 472 B16R2.71 Cc1ncccc1OCc2ccccc2 34a_100000745507_100015291786 [0,1,0,0,0,0|2,1,0]=4 473 B16R2.71 Cc1ncccc1OCc2ccccc2 7a_100000745507_100000211182 [0,1,0,0,0,0|2,1,0]=4 474 B16R2.71 Cc1ncccc1SCc2ccccc2 62a_100000211182_100000751574 [0,1,0,0,0,0|2,0,0]=3 475 B16R2.71 Cc1ncccc1SCc2ccccc2 62a_100000751574_100015291786 [0,1,0,0,0,0|2,0,0]=3 476 B16R2.71 Cc1ncccc1SCc2ccccn2 62a_100000721315_100000751574 [0,1,0,0,0,0|3,0,0]=4 477 B16R2.71 Cc1ncccc1SCc2ccccn2 62a_100000751574_100000721315 [0,1,0,0,0,0|3,0,0]=4 478 B16R2.71 Cc1ncccc1SCc2cccnc2 62a_100000741622_100000751574 [0,1,0,0,0,0|3,0,0]=4 479 B16R2.71 Cc1ncccc1SCc2cccnc2 62a_100000751574_100000741622 [0,1,0,0,0,0|3,0,0]=4 480 B16R2.71 Cc1ncccc1SCc2ccncc2 62a_100000751574_100015193705 [0,1,0,0,0,0|3,0,0]=4 481 B16R2.71 Cc1ncccc1SCc2ccncc2 62a_100015193705_100000751574 [0,1,0,0,0,0|3,0,0]=4 482 B16R2.71 Cc1nccnc1SCc2ccccc2 62a_100000211182_100011999405 [0,1,0,0,0,0|3,0,0]=4 483 B16R2.71 Cc1nccnc1SCc2ccccc2 62a_100011999405_100015291786 [0,1,0,0,0,0|3,0,0]=4 484 B16R2.71 Cc1ncncc1SCc2ccccc2 62a_100000211182_100009819671 [0,1,0,0,0,0|3,0,0]=4 485 B16R2.71 Cc1ncncc1SCc2ccccc2 62a_100009819671_100015291786 [0,1,0,0,0,0|3,0,0]=4 486 B16R2.71 Clc1ccccc1C#Cc2ccccc2 271570a_100000069678_100000764095 [0,1,0,0,0,0|2,0,0]=3 487 B16R2.71 Clc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000764095 [0,1,0,0,0,0|2,0,0]=3 488 B16R2.71 Clc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000764095 [0,1,0,0,0,0|3,0,0]=4 489 B16R2.71 Clc1ccccc1CNc2ccccc2 207a_100000106764_100000210073 [0,1,0,0,0,0|2,0,0]=3 490 B16R2.71 Clc1ccccc1CNc2ccccc2 270302a_100000106764_100000210073 [0,1,0,0,0,0|2,0,0]=3 491 B16R2.71 Clc1ccccc1CNc2ccccc2 34a_100000106764_100000187162 [0,1,0,0,0,0|2,0,0]=3 492 B16R2.71 Clc1ccccc1COc2ccccc2 34a_100000210340_100000187162 [0,1,0,0,0,0|1,1,0]=3 493 B16R2.71 Clc1ccccc1COc2ccccc2 7a_100000210340_100000187162 [0,1,0,0,0,0|1,1,0]=3 494 B16R2.71 Clc1ccccc1COc2cccnc2 34a_100000210849_100000187162 [0,1,0,0,0,0|2,1,0]=4 495 B16R2.71 Clc1ccccc1COc2cccnc2 7a_100000210849_100000187162 [0,1,0,0,0,0|2,1,0]=4 496 B16R2.71 Clc1ccccc1COc2ccncc2 34a_100000212176_100000187162 [0,1,0,0,0,0|2,1,0]=4 497 B16R2.71 Clc1ccccc1CSc2ccccc2 62a_100000187162_100000041952 [0,1,0,0,0,0|1,0,0]=2 498 B16R2.71 Clc1ccccc1CSc2ccccc2 62a_100000719477_100000187162 [0,1,0,0,0,0|1,0,0]=2 499 B16R2.71 Clc1ccccc1CSc2ccccn2 62a_100000187162_100011216584 [0,1,0,0,0,0|2,0,0]=3 500 B16R2.71 Clc1ccccc1CSc2ccccn2 62a_100011216584_100000187162 [0,1,0,0,0,0|2,0,0]=3 501 B16R2.71 Clc1ccccc1CSc2cccnc2 62a_100000187162_100000210063 [0,1,0,0,0,0|2,0,0]=3 502 B16R2.71 Clc1ccccc1CSc2cccnc2 62a_100000210063_100000187162 [0,1,0,0,0,0|2,0,0]=3 503 B16R2.71 Clc1ccccc1CSc2cccnn2 62a_100000187162_100016991348 [0,1,0,0,0,0|3,0,0]=4 504 B16R2.71 Clc1ccccc1CSc2cccnn2 62a_100016991348_100000187162 [0,1,0,0,0,0|3,0,0]=4 505 B16R2.71 Clc1ccccc1CSc2ccncc2 62a_100000187162_100000728582 [0,1,0,0,0,0|2,0,0]=3 506 B16R2.71 Clc1ccccc1CSc2ccncc2 62a_100000728582_100000187162 [0,1,0,0,0,0|2,0,0]=3 507 B16R2.71 Clc1ccccc1CSc2ccncn2 62a_100000187162_100000703185 [0,1,0,0,0,0|3,0,0]=4 508 B16R2.71 Clc1ccccc1CSc2ccncn2 62a_100000703185_100000187162 [0,1,0,0,0,0|3,0,0]=4 509 B16R2.71 Clc1ccccc1CSc2ccnnc2 62a_100000187162_100000732662 [0,1,0,0,0,0|3,0,0]=4 510 B16R2.71 Clc1ccccc1CSc2ccnnc2 62a_100000732662_100000187162 [0,1,0,0,0,0|3,0,0]=4 511 B16R2.71 Clc1ccccc1CSc2cnccn2 62a_100000187162_100000211759 [0,1,0,0,0,0|3,0,0]=4 512 B16R2.71 Clc1ccccc1CSc2cnccn2 62a_100000211759_100000187162 [0,1,0,0,0,0|3,0,0]=4 513 B16R2.71 Clc1ccccc1CSc2cncnc2 62a_100000187162_100011206942 [0,1,0,0,0,0|3,0,0]=4 514 B16R2.71 Clc1ccccc1CSc2cncnc2 62a_100011206942_100000187162 [0,1,0,0,0,0|3,0,0]=4 515 B16R2.71 Clc1ccccc1CSc2ncccn2 62a_100000187162_100000211032 [0,1,0,0,0,0|3,0,0]=4 516 B16R2.71 Clc1ccccc1CSc2ncccn2 62a_100000211032_100000187162 [0,1,0,0,0,0|3,0,0]=4 517 B16R2.71 Clc1ccccc1NCc2ccccc2 207a_100000185783_100015611070 [0,1,0,0,0,0|2,0,0]=3 518 B16R2.71 Clc1ccccc1NCc2ccccc2 34a_100000185783_100015291786 [0,1,0,0,0,0|2,0,0]=3 519 B16R2.71 Clc1ccccc1NCc2ccccn2 207a_100000185783_100000209966 [0,1,0,0,0,0|3,0,0]=4 520 B16R2.71 Clc1ccccc1NCc2ccccn2 34a_100000185783_100000721315 [0,1,0,0,0,0|3,0,0]=4 521 B16R2.71 Clc1ccccc1NCc2cccnc2 207a_100000185783_100000209961 [0,1,0,0,0,0|3,0,0]=4 522 B16R2.71 Clc1ccccc1NCc2cccnc2 34a_100000185783_100000733263 [0,1,0,0,0,0|3,0,0]=4 523 B16R2.71 Clc1ccccc1NCc2ccncc2 207a_100000185783_100000186114 [0,1,0,0,0,0|3,0,0]=4 524 B16R2.71 Clc1ccccc1OCc2ccccc2 34a_100000210172_100015291786 [0,1,0,0,0,0|1,1,0]=3 525 B16R2.71 Clc1ccccc1OCc2ccccc2 7a_100000210172_100000211182 [0,1,0,0,0,0|1,1,0]=3 526 B16R2.71 Clc1ccccc1OCc2ccccn2 34a_100000210172_100000721315 [0,1,0,0,0,0|2,1,0]=4 527 B16R2.71 Clc1ccccc1OCc2ccccn2 7a_100000210172_100000721315 [0,1,0,0,0,0|2,1,0]=4 528 B16R2.71 Clc1ccccc1OCc2cccnc2 34a_100000210172_100000733263 [0,1,0,0,0,0|2,1,0]=4 529 B16R2.71 Clc1ccccc1OCc2cccnc2 7a_100000210172_100000741622 [0,1,0,0,0,0|2,1,0]=4 530 B16R2.71 Clc1ccccc1OCc2ccncc2 7a_100000210172_100015193705 [0,1,0,0,0,0|2,1,0]=4 531 B16R2.71 Clc1ccccc1SCc2ccccc2 62a_100000211182_100000764095 [0,1,0,0,0,0|1,0,0]=2 532 B16R2.71 Clc1ccccc1SCc2ccccc2 62a_100000764095_100015291786 [0,1,0,0,0,0|1,0,0]=2 533 B16R2.71 Clc1ccccc1SCc2ccccn2 62a_100000721315_100000764095 [0,1,0,0,0,0|2,0,0]=3 534 B16R2.71 Clc1ccccc1SCc2ccccn2 62a_100000764095_100000721315 [0,1,0,0,0,0|2,0,0]=3 535 B16R2.71 Clc1ccccc1SCc2cccnc2 62a_100000741622_100000764095 [0,1,0,0,0,0|2,0,0]=3 536 B16R2.71 Clc1ccccc1SCc2cccnc2 62a_100000764095_100000741622 [0,1,0,0,0,0|2,0,0]=3 537 B16R2.71 Clc1ccccc1SCc2cccnn2 62a_100000764095_100016990269 [0,1,0,0,0,0|3,0,0]=4 538 B16R2.71 Clc1ccccc1SCc2cccnn2 62a_100016990269_100000764095 [0,1,0,0,0,0|3,0,0]=4 539 B16R2.71 Clc1ccccc1SCc2ccncc2 62a_100000764095_100015193705 [0,1,0,0,0,0|2,0,0]=3 540 B16R2.71 Clc1ccccc1SCc2ccncc2 62a_100015193705_100000764095 [0,1,0,0,0,0|2,0,0]=3 541 B16R2.71 Clc1ccccc1SCc2cnccn2 62a_100000764095_100016995436 [0,1,0,0,0,0|3,0,0]=4 542 B16R2.71 Clc1ccccc1SCc2cnccn2 62a_100016995436_100000764095 [0,1,0,0,0,0|3,0,0]=4 543 B16R2.71 Clc1ccccc1SCc2cncnc2 62a_100000764095_100015196519 [0,1,0,0,0,0|3,0,0]=4 544 B16R2.71 Clc1ccccc1SCc2cncnc2 62a_100015196519_100000764095 [0,1,0,0,0,0|3,0,0]=4 545 B16R2.71 Clc1ccccc1SCc2ncccn2 62a_100000703007_100000764095 [0,1,0,0,0,0|3,0,0]=4 546 B16R2.71 Clc1ccccc1SCc2ncccn2 62a_100000764095_100000703007 [0,1,0,0,0,0|3,0,0]=4 547 B16R2.71 Clc1cccnc1C#Cc2ccccc2 271570a_100000069678_100011356963 [0,1,0,0,0,0|3,0,0]=4 548 B16R2.71 Clc1cccnc1C=Cc2ccccc2 271570a_100102527694_100011356963 [0,1,0,0,0,0|3,0,0]=4 549 B16R2.71 Clc1cccnc1CNc2ccccc2 207a_100000106764_100012001307 [0,1,0,0,0,0|3,0,0]=4 550 B16R2.71 Clc1cccnc1COc2ccccc2 7a_100000210340_100000099807 [0,1,0,0,0,0|2,1,0]=4 551 B16R2.71 Clc1cccnc1CSc2ccccc2 62a_100000099807_100000041952 [0,1,0,0,0,0|2,0,0]=3 552 B16R2.71 Clc1cccnc1CSc2ccccc2 62a_100000719477_100000099807 [0,1,0,0,0,0|2,0,0]=3 553 B16R2.71 Clc1cccnc1CSc2ccccn2 62a_100000099807_100011216584 [0,1,0,0,0,0|3,0,0]=4 554 B16R2.71 Clc1cccnc1CSc2ccccn2 62a_100011216584_100000099807 [0,1,0,0,0,0|3,0,0]=4 555 B16R2.71 Clc1cccnc1CSc2cccnc2 62a_100000099807_100000210063 [0,1,0,0,0,0|3,0,0]=4 556 B16R2.71 Clc1cccnc1CSc2cccnc2 62a_100000210063_100000099807 [0,1,0,0,0,0|3,0,0]=4 557 B16R2.71 Clc1cccnc1CSc2ccncc2 62a_100000099807_100000728582 [0,1,0,0,0,0|3,0,0]=4 558 B16R2.71 Clc1cccnc1CSc2ccncc2 62a_100000728582_100000099807 [0,1,0,0,0,0|3,0,0]=4 559 B16R2.71 Clc1cccnc1OCc2ccccc2 34a_100011290957_100015291786 [0,1,0,0,0,0|2,1,0]=4 560 B16R2.71 Clc1cccnc1SCc2ccccc2 62a_100000211182_100011356963 [0,1,0,0,0,0|2,0,0]=3 561 B16R2.71 Clc1cccnc1SCc2ccccc2 62a_100011356963_100015291786 [0,1,0,0,0,0|2,0,0]=3 562 B16R2.71 Clc1cccnc1SCc2ccccn2 62a_100000721315_100011356963 [0,1,0,0,0,0|3,0,0]=4 563 B16R2.71 Clc1cccnc1SCc2ccccn2 62a_100011356963_100000721315 [0,1,0,0,0,0|3,0,0]=4 564 B16R2.71 Clc1cccnc1SCc2cccnc2 62a_100000741622_100011356963 [0,1,0,0,0,0|3,0,0]=4 565 B16R2.71 Clc1cccnc1SCc2cccnc2 62a_100011356963_100000741622 [0,1,0,0,0,0|3,0,0]=4 566 B16R2.71 Clc1cccnc1SCc2ccncc2 62a_100011356963_100015193705 [0,1,0,0,0,0|3,0,0]=4 567 B16R2.71 Clc1cccnc1SCc2ccncc2 62a_100015193705_100011356963 [0,1,0,0,0,0|3,0,0]=4 568 B16R2.71 Clc1ccncc1C#Cc2ccccc2 271570a_100000069678_100009995489 [0,1,0,0,0,0|3,0,0]=4 569 B16R2.71 Clc1ccncc1C=Cc2ccccc2 271570a_100102527694_100009995489 [0,1,0,0,0,0|3,0,0]=4 570 B16R2.71 Clc1ccncc1OCc2ccccc2 34a_100011996695_100015291786 [0,1,0,0,0,0|2,1,0]=4 571 B16R2.71 Clc1ccncc1SCc2ccccc2 62a_100000211182_100009995489 [0,1,0,0,0,0|2,0,0]=3 572 B16R2.71 Clc1ccncc1SCc2ccccc2 62a_100009995489_100015291786 [0,1,0,0,0,0|2,0,0]=3 573 B16R2.71 Clc1ccncc1SCc2ccccn2 62a_100000721315_100009995489 [0,1,0,0,0,0|3,0,0]=4 574 B16R2.71 Clc1ccncc1SCc2ccccn2 62a_100009995489_100000721315 [0,1,0,0,0,0|3,0,0]=4 575 B16R2.71 Clc1ccncc1SCc2cccnc2 62a_100000741622_100009995489 [0,1,0,0,0,0|3,0,0]=4 576 B16R2.71 Clc1ccncc1SCc2cccnc2 62a_100009995489_100000741622 [0,1,0,0,0,0|3,0,0]=4 577 B16R2.71 Clc1ccncc1SCc2ccncc2 62a_100009995489_100015193705 [0,1,0,0,0,0|3,0,0]=4 578 B16R2.71 Clc1ccncc1SCc2ccncc2 62a_100015193705_100009995489 [0,1,0,0,0,0|3,0,0]=4 579 B16R2.71 Clc1cnccc1C#Cc2ccccc2 271570a_100000069678_100000708259 [0,1,0,0,0,0|3,0,0]=4 580 B16R2.71 Clc1cnccc1C=Cc2ccccc2 271570a_100102527694_100000708259 [0,1,0,0,0,0|3,0,0]=4 581 B16R2.71 Clc1cnccc1CNc2ccccc2 207a_100000106764_100011934409 [0,1,0,0,0,0|3,0,0]=4 582 B16R2.71 Clc1cnccc1COc2ccccc2 7a_100000210340_100000763264 [0,1,0,0,0,0|2,1,0]=4 583 B16R2.71 Clc1cnccc1CSc2ccccc2 62a_100000719477_100000763264 [0,1,0,0,0,0|2,0,0]=3 584 B16R2.71 Clc1cnccc1CSc2ccccc2 62a_100000763264_100000041952 [0,1,0,0,0,0|2,0,0]=3 585 B16R2.71 Clc1cnccc1CSc2ccccn2 62a_100000763264_100011216584 [0,1,0,0,0,0|3,0,0]=4 586 B16R2.71 Clc1cnccc1CSc2ccccn2 62a_100011216584_100000763264 [0,1,0,0,0,0|3,0,0]=4 587 B16R2.71 Clc1cnccc1CSc2cccnc2 62a_100000210063_100000763264 [0,1,0,0,0,0|3,0,0]=4 588 B16R2.71 Clc1cnccc1CSc2cccnc2 62a_100000763264_100000210063 [0,1,0,0,0,0|3,0,0]=4 589 B16R2.71 Clc1cnccc1CSc2ccncc2 62a_100000728582_100000763264 [0,1,0,0,0,0|3,0,0]=4 590 B16R2.71 Clc1cnccc1CSc2ccncc2 62a_100000763264_100000728582 [0,1,0,0,0,0|3,0,0]=4 591 B16R2.71 Clc1cnccc1OCc2ccccc2 34a_100011997054_100015291786 [0,1,0,0,0,0|2,1,0]=4 592 B16R2.71 Clc1cnccc1SCc2ccccc2 62a_100000211182_100000708259 [0,1,0,0,0,0|2,0,0]=3 593 B16R2.71 Clc1cnccc1SCc2ccccc2 62a_100000708259_100015291786 [0,1,0,0,0,0|2,0,0]=3 594 B16R2.71 Clc1cnccc1SCc2ccccn2 62a_100000708259_100000721315 [0,1,0,0,0,0|3,0,0]=4 595 B16R2.71 Clc1cnccc1SCc2ccccn2 62a_100000721315_100000708259 [0,1,0,0,0,0|3,0,0]=4 596 B16R2.71 Clc1cnccc1SCc2cccnc2 62a_100000708259_100000741622 [0,1,0,0,0,0|3,0,0]=4 597 B16R2.71 Clc1cnccc1SCc2cccnc2 62a_100000741622_100000708259 [0,1,0,0,0,0|3,0,0]=4 598 B16R2.71 Clc1cnccc1SCc2ccncc2 62a_100000708259_100015193705 [0,1,0,0,0,0|3,0,0]=4 599 B16R2.71 Clc1cnccc1SCc2ccncc2 62a_100015193705_100000708259 [0,1,0,0,0,0|3,0,0]=4 600 B16R2.71 Clc1ncccc1C#Cc2ccccc2 271570a_100000069678_100000036424 [0,1,0,0,0,0|3,0,0]=4 601 B16R2.71 Clc1ncccc1C=Cc2ccccc2 271570a_100102527694_100000036424 [0,1,0,0,0,0|3,0,0]=4 602 B16R2.71 Clc1ncccc1CNc2ccccc2 34a_100000106764_100000045678 [0,1,0,0,0,0|3,0,0]=4 603 B16R2.71 Clc1ncccc1COc2ccccc2 34a_100000210340_100000045678 [0,1,0,0,0,0|2,1,0]=4 604 B16R2.71 Clc1ncccc1COc2ccccc2 7a_100000210340_100000045678 [0,1,0,0,0,0|2,1,0]=4 605 B16R2.71 Clc1ncccc1CSc2ccccc2 62a_100000045678_100000041952 [0,1,0,0,0,0|2,0,0]=3 606 B16R2.71 Clc1ncccc1CSc2ccccc2 62a_100000719477_100000045678 [0,1,0,0,0,0|2,0,0]=3 607 B16R2.71 Clc1ncccc1CSc2ccccn2 62a_100000045678_100011216584 [0,1,0,0,0,0|3,0,0]=4 608 B16R2.71 Clc1ncccc1CSc2ccccn2 62a_100011216584_100000045678 [0,1,0,0,0,0|3,0,0]=4 609 B16R2.71 Clc1ncccc1CSc2cccnc2 62a_100000045678_100000210063 [0,1,0,0,0,0|3,0,0]=4 610 B16R2.71 Clc1ncccc1CSc2cccnc2 62a_100000210063_100000045678 [0,1,0,0,0,0|3,0,0]=4 611 B16R2.71 Clc1ncccc1CSc2ccncc2 62a_100000045678_100000728582 [0,1,0,0,0,0|3,0,0]=4 612 B16R2.71 Clc1ncccc1CSc2ccncc2 62a_100000728582_100000045678 [0,1,0,0,0,0|3,0,0]=4 613 B16R2.71 Clc1ncccc1OCc2ccccc2 34a_100000757616_100015291786 [0,1,0,0,0,0|2,1,0]=4 614 B16R2.71 Clc1ncccc1OCc2ccccc2 7a_100000757616_100000211182 [0,1,0,0,0,0|2,1,0]=4 615 B16R2.71 Clc1ncccc1SCc2ccccc2 62a_100000036424_100015291786 [0,1,0,0,0,0|2,0,0]=3 616 B16R2.71 Clc1ncccc1SCc2ccccc2 62a_100000211182_100000036424 [0,1,0,0,0,0|2,0,0]=3 617 B16R2.71 Clc1ncccc1SCc2ccccn2 62a_100000036424_100000721315 [0,1,0,0,0,0|3,0,0]=4 618 B16R2.71 Clc1ncccc1SCc2ccccn2 62a_100000721315_100000036424 [0,1,0,0,0,0|3,0,0]=4 619 B16R2.71 Clc1ncccc1SCc2cccnc2 62a_100000036424_100000741622 [0,1,0,0,0,0|3,0,0]=4 620 B16R2.71 Clc1ncccc1SCc2cccnc2 62a_100000741622_100000036424 [0,1,0,0,0,0|3,0,0]=4 621 B16R2.71 Clc1ncccc1SCc2ccncc2 62a_100000036424_100015193705 [0,1,0,0,0,0|3,0,0]=4 622 B16R2.71 Clc1ncccc1SCc2ccncc2 62a_100015193705_100000036424 [0,1,0,0,0,0|3,0,0]=4 623 B16R2.71 Clc1nccnc1SCc2ccccc2 62a_100000211182_100010886584 [0,1,0,0,0,0|3,0,0]=4 624 B16R2.71 Clc1nccnc1SCc2ccccc2 62a_100010886584_100015291786 [0,1,0,0,0,0|3,0,0]=4 625 B16R2.71 Clc1ncncc1SCc2ccccc2 62a_100000211182_100000758962 [0,1,0,0,0,0|3,0,0]=4 626 B16R2.71 Clc1ncncc1SCc2ccccc2 62a_100000758962_100015291786 [0,1,0,0,0,0|3,0,0]=4 627 B16R2.71 Fc1ccccc1C#Cc2ccccc2 271570a_100000069678_100011215700 [0,1,0,0,0,0|2,0,0]=3 628 B16R2.71 Fc1ccccc1C=Cc2ccccc2 271570a_100102527694_100011215700 [0,1,0,0,0,0|2,0,0]=3 629 B16R2.71 Fc1ccccc1C=Cc2ccccc2 271570a_200102527919_100000210277 [0,1,0,0,0,0|2,0,0]=3 630 B16R2.71 Fc1ccccc1C=Cc2ccccn2 271570a_200102527919_100011216584 [0,1,0,0,0,0|3,0,0]=4 631 B16R2.71 Fc1ccccc1C=Cc2cccnc2 271570a_100102525586_100011215700 [0,1,0,0,0,0|3,0,0]=4 632 B16R2.71 Fc1ccccc1C=Cc2cccnc2 271570a_200102527919_100000752921 [0,1,0,0,0,0|3,0,0]=4 633 B16R2.71 Fc1ccccc1C=Cc2ccncc2 271570a_200102527919_100000035832 [0,1,0,0,0,0|3,0,0]=4 634 B16R2.71 Fc1ccccc1CNc2ccccc2 207a_100000106764_100000210811 [0,1,0,0,0,0|2,0,0]=3 635 B16R2.71 Fc1ccccc1CNc2ccccc2 270302a_100000106764_100000210811 [0,1,0,0,0,0|2,0,0]=3 636 B16R2.71 Fc1ccccc1CNc2ccccc2 34a_100000106764_100000211605 [0,1,0,0,0,0|2,0,0]=3 637 B16R2.71 Fc1ccccc1COc2ccccc2 34a_100000210340_100000211605 [0,1,0,0,0,0|1,1,0]=3 638 B16R2.71 Fc1ccccc1COc2ccccc2 7a_100000210340_100000211605 [0,1,0,0,0,0|1,1,0]=3 639 B16R2.71 Fc1ccccc1COc2cccnc2 34a_100000210849_100000211605 [0,1,0,0,0,0|2,1,0]=4 640 B16R2.71 Fc1ccccc1COc2cccnc2 7a_100000210849_100000211605 [0,1,0,0,0,0|2,1,0]=4 641 B16R2.71 Fc1ccccc1COc2ccncc2 34a_100000212176_100000211605 [0,1,0,0,0,0|2,1,0]=4 642 B16R2.71 Fc1ccccc1CSc2ccccc2 62a_100000211605_100000041952 [0,1,0,0,0,0|1,0,0]=2 643 B16R2.71 Fc1ccccc1CSc2ccccc2 62a_100000719477_100000211605 [0,1,0,0,0,0|1,0,0]=2 644 B16R2.71 Fc1ccccc1CSc2ccccn2 62a_100000211605_100011216584 [0,1,0,0,0,0|2,0,0]=3 645 B16R2.71 Fc1ccccc1CSc2ccccn2 62a_100011216584_100000211605 [0,1,0,0,0,0|2,0,0]=3 646 B16R2.71 Fc1ccccc1CSc2cccnc2 62a_100000210063_100000211605 [0,1,0,0,0,0|2,0,0]=3 647 B16R2.71 Fc1ccccc1CSc2cccnc2 62a_100000211605_100000210063 [0,1,0,0,0,0|2,0,0]=3 648 B16R2.71 Fc1ccccc1CSc2cccnn2 62a_100000211605_100016991348 [0,1,0,0,0,0|3,0,0]=4 649 B16R2.71 Fc1ccccc1CSc2cccnn2 62a_100016991348_100000211605 [0,1,0,0,0,0|3,0,0]=4 650 B16R2.71 Fc1ccccc1CSc2ccncc2 62a_100000211605_100000728582 [0,1,0,0,0,0|2,0,0]=3 651 B16R2.71 Fc1ccccc1CSc2ccncc2 62a_100000728582_100000211605 [0,1,0,0,0,0|2,0,0]=3 652 B16R2.71 Fc1ccccc1CSc2ccncn2 62a_100000211605_100000703185 [0,1,0,0,0,0|3,0,0]=4 653 B16R2.71 Fc1ccccc1CSc2ccncn2 62a_100000703185_100000211605 [0,1,0,0,0,0|3,0,0]=4 654 B16R2.71 Fc1ccccc1CSc2ccnnc2 62a_100000211605_100000732662 [0,1,0,0,0,0|3,0,0]=4 655 B16R2.71 Fc1ccccc1CSc2ccnnc2 62a_100000732662_100000211605 [0,1,0,0,0,0|3,0,0]=4 656 B16R2.71 Fc1ccccc1CSc2cnccn2 62a_100000211605_100000211759 [0,1,0,0,0,0|3,0,0]=4 657 B16R2.71 Fc1ccccc1CSc2cnccn2 62a_100000211759_100000211605 [0,1,0,0,0,0|3,0,0]=4 658 B16R2.71 Fc1ccccc1CSc2cncnc2 62a_100000211605_100011206942 [0,1,0,0,0,0|3,0,0]=4 659 B16R2.71 Fc1ccccc1CSc2cncnc2 62a_100011206942_100000211605 [0,1,0,0,0,0|3,0,0]=4 660 B16R2.71 Fc1ccccc1CSc2ncccn2 62a_100000211032_100000211605 [0,1,0,0,0,0|3,0,0]=4 661 B16R2.71 Fc1ccccc1CSc2ncccn2 62a_100000211605_100000211032 [0,1,0,0,0,0|3,0,0]=4 662 B16R2.71 Fc1ccccc1NCc2ccccc2 207a_100000210422_100015611070 [0,1,0,0,0,0|2,0,0]=3 663 B16R2.71 Fc1ccccc1NCc2ccccc2 34a_100000210422_100015291786 [0,1,0,0,0,0|2,0,0]=3 664 B16R2.71 Fc1ccccc1NCc2ccccn2 207a_100000210422_100000209966 [0,1,0,0,0,0|3,0,0]=4 665 B16R2.71 Fc1ccccc1NCc2ccccn2 34a_100000210422_100000721315 [0,1,0,0,0,0|3,0,0]=4 666 B16R2.71 Fc1ccccc1NCc2cccnc2 207a_100000210422_100000209961 [0,1,0,0,0,0|3,0,0]=4 667 B16R2.71 Fc1ccccc1NCc2cccnc2 34a_100000210422_100000733263 [0,1,0,0,0,0|3,0,0]=4 668 B16R2.71 Fc1ccccc1NCc2ccncc2 207a_100000210422_100000186114 [0,1,0,0,0,0|3,0,0]=4 669 B16R2.71 Fc1ccccc1OCc2ccccc2 34a_100000210171_100015291786 [0,1,0,0,0,0|1,1,0]=3 670 B16R2.71 Fc1ccccc1OCc2ccccc2 7a_100000210171_100000211182 [0,1,0,0,0,0|1,1,0]=3 671 B16R2.71 Fc1ccccc1OCc2ccccn2 34a_100000210171_100000721315 [0,1,0,0,0,0|2,1,0]=4 672 B16R2.71 Fc1ccccc1OCc2ccccn2 7a_100000210171_100000721315 [0,1,0,0,0,0|2,1,0]=4 673 B16R2.71 Fc1ccccc1OCc2cccnc2 34a_100000210171_100000733263 [0,1,0,0,0,0|2,1,0]=4 674 B16R2.71 Fc1ccccc1OCc2cccnc2 7a_100000210171_100000741622 [0,1,0,0,0,0|2,1,0]=4 675 B16R2.71 Fc1ccccc1OCc2ccncc2 7a_100000210171_100015193705 [0,1,0,0,0,0|2,1,0]=4 676 B16R2.71 Fc1ccccc1SCc2ccccc2 62a_100000211182_100011215700 [0,1,0,0,0,0|1,0,0]=2 677 B16R2.71 Fc1ccccc1SCc2ccccc2 62a_100011215700_100015291786 [0,1,0,0,0,0|1,0,0]=2 678 B16R2.71 Fc1ccccc1SCc2ccccn2 62a_100000721315_100011215700 [0,1,0,0,0,0|2,0,0]=3 679 B16R2.71 Fc1ccccc1SCc2ccccn2 62a_100011215700_100000721315 [0,1,0,0,0,0|2,0,0]=3 680 B16R2.71 Fc1ccccc1SCc2cccnc2 62a_100000741622_100011215700 [0,1,0,0,0,0|2,0,0]=3 681 B16R2.71 Fc1ccccc1SCc2cccnc2 62a_100011215700_100000741622 [0,1,0,0,0,0|2,0,0]=3 682 B16R2.71 Fc1ccccc1SCc2cccnn2 62a_100011215700_100016990269 [0,1,0,0,0,0|3,0,0]=4 683 B16R2.71 Fc1ccccc1SCc2cccnn2 62a_100016990269_100011215700 [0,1,0,0,0,0|3,0,0]=4 684 B16R2.71 Fc1ccccc1SCc2ccncc2 62a_100011215700_100015193705 [0,1,0,0,0,0|2,0,0]=3 685 B16R2.71 Fc1ccccc1SCc2ccncc2 62a_100015193705_100011215700 [0,1,0,0,0,0|2,0,0]=3 686 B16R2.71 Fc1ccccc1SCc2cnccn2 62a_100011215700_100016995436 [0,1,0,0,0,0|3,0,0]=4 687 B16R2.71 Fc1ccccc1SCc2cnccn2 62a_100016995436_100011215700 [0,1,0,0,0,0|3,0,0]=4 688 B16R2.71 Fc1ccccc1SCc2cncnc2 62a_100011215700_100015196519 [0,1,0,0,0,0|3,0,0]=4 689 B16R2.71 Fc1ccccc1SCc2cncnc2 62a_100015196519_100011215700 [0,1,0,0,0,0|3,0,0]=4 690 B16R2.71 Fc1ccccc1SCc2ncccn2 62a_100000703007_100011215700 [0,1,0,0,0,0|3,0,0]=4 691 B16R2.71 Fc1ccccc1SCc2ncccn2 62a_100011215700_100000703007 [0,1,0,0,0,0|3,0,0]=4 692 B16R2.71 Fc1cccnc1C#Cc2ccccc2 271570a_100000069678_100000685392 [0,1,0,0,0,0|3,0,0]=4 693 B16R2.71 Fc1cccnc1C=Cc2ccccc2 271570a_100102527694_100000685392 [0,1,0,0,0,0|3,0,0]=4 694 B16R2.71 Fc1cccnc1CNc2ccccc2 207a_100000106764_100011934734 [0,1,0,0,0,0|3,0,0]=4 695 B16R2.71 Fc1cccnc1CNc2ccccc2 34a_100000106764_100000104219 [0,1,0,0,0,0|3,0,0]=4 696 B16R2.71 Fc1cccnc1COc2ccccc2 34a_100000210340_100000104219 [0,1,0,0,0,0|2,1,0]=4 697 B16R2.71 Fc1cccnc1COc2ccccc2 7a_100000210340_100000104219 [0,1,0,0,0,0|2,1,0]=4 698 B16R2.71 Fc1cccnc1CSc2ccccc2 62a_100000104219_100000041952 [0,1,0,0,0,0|2,0,0]=3 699 B16R2.71 Fc1cccnc1CSc2ccccc2 62a_100000719477_100000104219 [0,1,0,0,0,0|2,0,0]=3 700 B16R2.71 Fc1cccnc1CSc2ccccn2 62a_100000104219_100011216584 [0,1,0,0,0,0|3,0,0]=4 701 B16R2.71 Fc1cccnc1CSc2ccccn2 62a_100011216584_100000104219 [0,1,0,0,0,0|3,0,0]=4 702 B16R2.71 Fc1cccnc1CSc2cccnc2 62a_100000104219_100000210063 [0,1,0,0,0,0|3,0,0]=4 703 B16R2.71 Fc1cccnc1CSc2cccnc2 62a_100000210063_100000104219 [0,1,0,0,0,0|3,0,0]=4 704 B16R2.71 Fc1cccnc1CSc2ccncc2 62a_100000104219_100000728582 [0,1,0,0,0,0|3,0,0]=4 705 B16R2.71 Fc1cccnc1CSc2ccncc2 62a_100000728582_100000104219 [0,1,0,0,0,0|3,0,0]=4 706 B16R2.71 Fc1cccnc1OCc2ccccc2 34a_100011219419_100015291786 [0,1,0,0,0,0|2,1,0]=4 707 B16R2.71 Fc1cccnc1SCc2ccccc2 62a_100000211182_100000685392 [0,1,0,0,0,0|2,0,0]=3 708 B16R2.71 Fc1cccnc1SCc2ccccc2 62a_100000685392_100015291786 [0,1,0,0,0,0|2,0,0]=3 709 B16R2.71 Fc1cccnc1SCc2ccccn2 62a_100000685392_100000721315 [0,1,0,0,0,0|3,0,0]=4 710 B16R2.71 Fc1cccnc1SCc2ccccn2 62a_100000721315_100000685392 [0,1,0,0,0,0|3,0,0]=4 711 B16R2.71 Fc1cccnc1SCc2cccnc2 62a_100000685392_100000741622 [0,1,0,0,0,0|3,0,0]=4 712 B16R2.71 Fc1cccnc1SCc2cccnc2 62a_100000741622_100000685392 [0,1,0,0,0,0|3,0,0]=4 713 B16R2.71 Fc1cccnc1SCc2ccncc2 62a_100000685392_100015193705 [0,1,0,0,0,0|3,0,0]=4 714 B16R2.71 Fc1cccnc1SCc2ccncc2 62a_100015193705_100000685392 [0,1,0,0,0,0|3,0,0]=4 715 B16R2.71 Fc1ccncc1C#Cc2ccccc2 271570a_100000069678_100009820683 [0,1,0,0,0,0|3,0,0]=4 716 B16R2.71 Fc1ccncc1C=Cc2ccccc2 271570a_100102527694_100009820683 [0,1,0,0,0,0|3,0,0]=4 717 B16R2.71 Fc1ccncc1SCc2ccccc2 62a_100000211182_100009820683 [0,1,0,0,0,0|2,0,0]=3 718 B16R2.71 Fc1ccncc1SCc2ccccc2 62a_100009820683_100015291786 [0,1,0,0,0,0|2,0,0]=3 719 B16R2.71 Fc1ccncc1SCc2ccccn2 62a_100000721315_100009820683 [0,1,0,0,0,0|3,0,0]=4 720 B16R2.71 Fc1ccncc1SCc2ccccn2 62a_100009820683_100000721315 [0,1,0,0,0,0|3,0,0]=4 721 B16R2.71 Fc1ccncc1SCc2cccnc2 62a_100000741622_100009820683 [0,1,0,0,0,0|3,0,0]=4 722 B16R2.71 Fc1ccncc1SCc2cccnc2 62a_100009820683_100000741622 [0,1,0,0,0,0|3,0,0]=4 723 B16R2.71 Fc1ccncc1SCc2ccncc2 62a_100009820683_100015193705 [0,1,0,0,0,0|3,0,0]=4 724 B16R2.71 Fc1ccncc1SCc2ccncc2 62a_100015193705_100009820683 [0,1,0,0,0,0|3,0,0]=4 725 B16R2.71 Fc1cnccc1C#Cc2ccccc2 271570a_100000069678_100000047030 [0,1,0,0,0,0|3,0,0]=4 726 B16R2.71 Fc1cnccc1C=Cc2ccccc2 271570a_100102527694_100000047030 [0,1,0,0,0,0|3,0,0]=4 727 B16R2.71 Fc1cnccc1NCc2ccccc2 27a_100015324214_100000035921 [0,1,0,0,0,0|3,0,0]=4 728 B16R2.71 Fc1cnccc1OCc2ccccc2 34a_200000081243_100015291786 [0,1,0,0,0,0|2,1,0]=4 729 B16R2.71 Fc1cnccc1SCc2ccccc2 62a_100000047030_100015291786 [0,1,0,0,0,0|2,0,0]=3 730 B16R2.71 Fc1cnccc1SCc2ccccc2 62a_100000211182_100000047030 [0,1,0,0,0,0|2,0,0]=3 731 B16R2.71 Fc1cnccc1SCc2ccccn2 62a_100000047030_100000721315 [0,1,0,0,0,0|3,0,0]=4 732 B16R2.71 Fc1cnccc1SCc2ccccn2 62a_100000721315_100000047030 [0,1,0,0,0,0|3,0,0]=4 733 B16R2.71 Fc1cnccc1SCc2cccnc2 62a_100000047030_100000741622 [0,1,0,0,0,0|3,0,0]=4 734 B16R2.71 Fc1cnccc1SCc2cccnc2 62a_100000741622_100000047030 [0,1,0,0,0,0|3,0,0]=4 735 B16R2.71 Fc1cnccc1SCc2ccncc2 62a_100000047030_100015193705 [0,1,0,0,0,0|3,0,0]=4 736 B16R2.71 Fc1cnccc1SCc2ccncc2 62a_100015193705_100000047030 [0,1,0,0,0,0|3,0,0]=4 737 B16R2.71 Fc1cncnc1SCc2ccccc2 62a_100000069762_100015291786 [0,1,0,0,0,0|3,0,0]=4 738 B16R2.71 Fc1cncnc1SCc2ccccc2 62a_100000211182_100000069762 [0,1,0,0,0,0|3,0,0]=4 739 B16R2.71 Fc1ncccc1C#Cc2ccccc2 271570a_100000069678_100009816115 [0,1,0,0,0,0|3,0,0]=4 740 B16R2.71 Fc1ncccc1C=Cc2ccccc2 271570a_100102527694_100009816115 [0,1,0,0,0,0|3,0,0]=4 741 B16R2.71 Fc1ncccc1CNc2ccccc2 34a_100000106764_100000099810 [0,1,0,0,0,0|3,0,0]=4 742 B16R2.71 Fc1ncccc1COc2ccccc2 34a_100000210340_100000099810 [0,1,0,0,0,0|2,1,0]=4 743 B16R2.71 Fc1ncccc1COc2ccccc2 7a_100000210340_100000099810 [0,1,0,0,0,0|2,1,0]=4 744 B16R2.71 Fc1ncccc1CSc2ccccc2 62a_100000099810_100000041952 [0,1,0,0,0,0|2,0,0]=3 745 B16R2.71 Fc1ncccc1CSc2ccccc2 62a_100000719477_100000099810 [0,1,0,0,0,0|2,0,0]=3 746 B16R2.71 Fc1ncccc1CSc2ccccn2 62a_100000099810_100011216584 [0,1,0,0,0,0|3,0,0]=4 747 B16R2.71 Fc1ncccc1CSc2ccccn2 62a_100011216584_100000099810 [0,1,0,0,0,0|3,0,0]=4 748 B16R2.71 Fc1ncccc1CSc2cccnc2 62a_100000099810_100000210063 [0,1,0,0,0,0|3,0,0]=4 749 B16R2.71 Fc1ncccc1CSc2cccnc2 62a_100000210063_100000099810 [0,1,0,0,0,0|3,0,0]=4 750 B16R2.71 Fc1ncccc1CSc2ccncc2 62a_100000099810_100000728582 [0,1,0,0,0,0|3,0,0]=4 751 B16R2.71 Fc1ncccc1CSc2ccncc2 62a_100000728582_100000099810 [0,1,0,0,0,0|3,0,0]=4 752 B16R2.71 Fc1ncccc1OCc2ccccc2 34a_100000061740_100015291786 [0,1,0,0,0,0|2,1,0]=4 753 B16R2.71 Fc1ncccc1OCc2ccccc2 7a_100000061740_100000211182 [0,1,0,0,0,0|2,1,0]=4 754 B16R2.71 Fc1ncccc1SCc2ccccc2 62a_100000211182_100009816115 [0,1,0,0,0,0|2,0,0]=3 755 B16R2.71 Fc1ncccc1SCc2ccccc2 62a_100009816115_100015291786 [0,1,0,0,0,0|2,0,0]=3 756 B16R2.71 Fc1ncccc1SCc2ccccn2 62a_100000721315_100009816115 [0,1,0,0,0,0|3,0,0]=4 757 B16R2.71 Fc1ncccc1SCc2ccccn2 62a_100009816115_100000721315 [0,1,0,0,0,0|3,0,0]=4 758 B16R2.71 Fc1ncccc1SCc2cccnc2 62a_100000741622_100009816115 [0,1,0,0,0,0|3,0,0]=4 759 B16R2.71 Fc1ncccc1SCc2cccnc2 62a_100009816115_100000741622 [0,1,0,0,0,0|3,0,0]=4 760 B16R2.71 Fc1ncccc1SCc2ccncc2 62a_100009816115_100015193705 [0,1,0,0,0,0|3,0,0]=4 761 B16R2.71 Fc1ncccc1SCc2ccncc2 62a_100015193705_100009816115 [0,1,0,0,0,0|3,0,0]=4 762 B16R2.71 Fc1nccnc1SCc2ccccc2 62a_100000211182_200010125657 [0,1,0,0,0,0|3,0,0]=4 763 B16R2.71 Fc1nccnc1SCc2ccccc2 62a_200010125657_100015291786 [0,1,0,0,0,0|3,0,0]=4 764 B16R2.71 Ic1ccccc1CNc2ccccc2 207a_100000106764_100000010305 [0,1,0,0,0,0|2,0,0]=3 765 B16R2.71 Ic1ccccc1CNc2ccccc2 34a_100000106764_100011215278 [0,1,0,0,0,0|2,0,0]=3 766 B16R2.71 Ic1ccccc1COc2ccccc2 34a_100000210340_100011215278 [0,1,0,0,0,0|1,1,0]=3 767 B16R2.71 Ic1ccccc1COc2ccccc2 7a_100000210340_100011215278 [0,1,0,0,0,0|1,1,0]=3 768 B16R2.71 Ic1ccccc1COc2cccnc2 34a_100000210849_100011215278 [0,1,0,0,0,0|2,1,0]=4 769 B16R2.71 Ic1ccccc1COc2cccnc2 7a_100000210849_100011215278 [0,1,0,0,0,0|2,1,0]=4 770 B16R2.71 Ic1ccccc1COc2ccncc2 34a_100000212176_100011215278 [0,1,0,0,0,0|2,1,0]=4 771 B16R2.71 Ic1ccccc1CSc2ccccc2 62a_100000719477_100011216222 [0,1,0,0,0,0|1,0,0]=2 772 B16R2.71 Ic1ccccc1CSc2ccccc2 62a_100011216222_100000041952 [0,1,0,0,0,0|1,0,0]=2 773 B16R2.71 Ic1ccccc1CSc2ccccn2 62a_100011216222_100011216584 [0,1,0,0,0,0|2,0,0]=3 774 B16R2.71 Ic1ccccc1CSc2ccccn2 62a_100011216584_100011216222 [0,1,0,0,0,0|2,0,0]=3 775 B16R2.71 Ic1ccccc1CSc2cccnc2 62a_100000210063_100011216222 [0,1,0,0,0,0|2,0,0]=3 776 B16R2.71 Ic1ccccc1CSc2cccnc2 62a_100011216222_100000210063 [0,1,0,0,0,0|2,0,0]=3 777 B16R2.71 Ic1ccccc1CSc2cccnn2 62a_100011216222_100016991348 [0,1,0,0,0,0|3,0,0]=4 778 B16R2.71 Ic1ccccc1CSc2cccnn2 62a_100016991348_100011216222 [0,1,0,0,0,0|3,0,0]=4 779 B16R2.71 Ic1ccccc1CSc2ccncc2 62a_100000728582_100011216222 [0,1,0,0,0,0|2,0,0]=3 780 B16R2.71 Ic1ccccc1CSc2ccncc2 62a_100011216222_100000728582 [0,1,0,0,0,0|2,0,0]=3 781 B16R2.71 Ic1ccccc1CSc2ccncn2 62a_100000703185_100011216222 [0,1,0,0,0,0|3,0,0]=4 782 B16R2.71 Ic1ccccc1CSc2ccncn2 62a_100011216222_100000703185 [0,1,0,0,0,0|3,0,0]=4 783 B16R2.71 Ic1ccccc1CSc2ccnnc2 62a_100000732662_100011216222 [0,1,0,0,0,0|3,0,0]=4 784 B16R2.71 Ic1ccccc1CSc2ccnnc2 62a_100011216222_100000732662 [0,1,0,0,0,0|3,0,0]=4 785 B16R2.71 Ic1ccccc1CSc2cnccn2 62a_100000211759_100011216222 [0,1,0,0,0,0|3,0,0]=4 786 B16R2.71 Ic1ccccc1CSc2cnccn2 62a_100011216222_100000211759 [0,1,0,0,0,0|3,0,0]=4 787 B16R2.71 Ic1ccccc1CSc2cncnc2 62a_100011206942_100011216222 [0,1,0,0,0,0|3,0,0]=4 788 B16R2.71 Ic1ccccc1CSc2cncnc2 62a_100011216222_100011206942 [0,1,0,0,0,0|3,0,0]=4 789 B16R2.71 Ic1ccccc1CSc2ncccn2 62a_100000211032_100011216222 [0,1,0,0,0,0|3,0,0]=4 790 B16R2.71 Ic1ccccc1CSc2ncccn2 62a_100011216222_100000211032 [0,1,0,0,0,0|3,0,0]=4 791 B16R2.71 Ic1ccccc1NCc2ccccc2 207a_100000210053_100015611070 [0,1,0,0,0,0|2,0,0]=3 792 B16R2.71 Ic1ccccc1NCc2ccccc2 34a_100000210053_100015291786 [0,1,0,0,0,0|2,0,0]=3 793 B16R2.71 Ic1ccccc1NCc2ccccn2 207a_100000210053_100000209966 [0,1,0,0,0,0|3,0,0]=4 794 B16R2.71 Ic1ccccc1NCc2ccccn2 34a_100000210053_100000721315 [0,1,0,0,0,0|3,0,0]=4 795 B16R2.71 Ic1ccccc1NCc2cccnc2 207a_100000210053_100000209961 [0,1,0,0,0,0|3,0,0]=4 796 B16R2.71 Ic1ccccc1NCc2cccnc2 34a_100000210053_100000733263 [0,1,0,0,0,0|3,0,0]=4 797 B16R2.71 Ic1ccccc1NCc2ccncc2 207a_100000210053_100000186114 [0,1,0,0,0,0|3,0,0]=4 798 B16R2.71 Ic1ccccc1OCc2ccccc2 34a_100000739446_100015291786 [0,1,0,0,0,0|1,1,0]=3 799 B16R2.71 Ic1ccccc1OCc2ccccc2 7a_100000739446_100000211182 [0,1,0,0,0,0|1,1,0]=3 800 B16R2.71 Ic1ccccc1OCc2ccccn2 34a_100000739446_100000721315 [0,1,0,0,0,0|2,1,0]=4 801 B16R2.71 Ic1ccccc1OCc2ccccn2 7a_100000739446_100000721315 [0,1,0,0,0,0|2,1,0]=4 802 B16R2.71 Ic1ccccc1OCc2cccnc2 34a_100000739446_100000733263 [0,1,0,0,0,0|2,1,0]=4 803 B16R2.71 Ic1ccccc1OCc2cccnc2 7a_100000739446_100000741622 [0,1,0,0,0,0|2,1,0]=4 804 B16R2.71 Ic1ccccc1OCc2ccncc2 7a_100000739446_100015193705 [0,1,0,0,0,0|2,1,0]=4 805 B16R2.71 Ic1ccncc1OCc2ccccc2 34a_100000050107_100015291786 [0,1,0,0,0,0|2,1,0]=4 806 B16R2.71 Ic1ncccc1OCc2ccccc2 34a_100000034122_100015291786 [0,1,0,0,0,0|2,1,0]=4 807 B16R2.71 Ic1ncccc1OCc2ccccc2 7a_100000034122_100000211182 [0,1,0,0,0,0|2,1,0]=4 808 B16R2.71 Nc1ccccc1C#Cc2ccccc2 271570a_100000069678_100000210017 [0,1,0,0,0,0|2,0,0]=3 809 B16R2.71 Nc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000210017 [0,1,0,0,0,0|2,0,0]=3 810 B16R2.71 Nc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000210017 [0,1,0,0,0,0|3,0,0]=4 811 B16R2.71 Nc1ccccc1OCc2ccccc2 34a_100000185747_100015291786 [0,1,0,0,0,0|1,1,0]=3 812 B16R2.71 Nc1ccccc1OCc2ccccc2 7a_100000185747_100000211182 [0,1,0,0,0,0|1,1,0]=3 813 B16R2.71 Nc1ccccc1OCc2ccccn2 34a_100000185747_100000721315 [0,1,0,0,0,0|2,1,0]=4 814 B16R2.71 Nc1ccccc1OCc2ccccn2 7a_100000185747_100000721315 [0,1,0,0,0,0|2,1,0]=4 815 B16R2.71 Nc1ccccc1OCc2cccnc2 34a_100000185747_100000733263 [0,1,0,0,0,0|2,1,0]=4 816 B16R2.71 Nc1ccccc1OCc2cccnc2 7a_100000185747_100000741622 [0,1,0,0,0,0|2,1,0]=4 817 B16R2.71 Nc1ccccc1OCc2ccncc2 7a_100000185747_100015193705 [0,1,0,0,0,0|2,1,0]=4 818 B16R2.71 Nc1ccccc1SCc2ccccc2 62a_100000210017_100015291786 [0,1,0,0,0,0|1,0,0]=2 819 B16R2.71 Nc1ccccc1SCc2ccccc2 62a_100000211182_100000210017 [0,1,0,0,0,0|1,0,0]=2 820 B16R2.71 Nc1ccccc1SCc2ccccn2 62a_100000210017_100000721315 [0,1,0,0,0,0|2,0,0]=3 821 B16R2.71 Nc1ccccc1SCc2ccccn2 62a_100000721315_100000210017 [0,1,0,0,0,0|2,0,0]=3 822 B16R2.71 Nc1ccccc1SCc2cccnc2 62a_100000210017_100000741622 [0,1,0,0,0,0|2,0,0]=3 823 B16R2.71 Nc1ccccc1SCc2cccnc2 62a_100000741622_100000210017 [0,1,0,0,0,0|2,0,0]=3 824 B16R2.71 Nc1ccccc1SCc2cccnn2 62a_100000210017_100016990269 [0,1,0,0,0,0|3,0,0]=4 825 B16R2.71 Nc1ccccc1SCc2cccnn2 62a_100016990269_100000210017 [0,1,0,0,0,0|3,0,0]=4 826 B16R2.71 Nc1ccccc1SCc2ccncc2 62a_100000210017_100015193705 [0,1,0,0,0,0|2,0,0]=3 827 B16R2.71 Nc1ccccc1SCc2ccncc2 62a_100015193705_100000210017 [0,1,0,0,0,0|2,0,0]=3 828 B16R2.71 Nc1ccccc1SCc2cnccn2 62a_100000210017_100016995436 [0,1,0,0,0,0|3,0,0]=4 829 B16R2.71 Nc1ccccc1SCc2cnccn2 62a_100016995436_100000210017 [0,1,0,0,0,0|3,0,0]=4 830 B16R2.71 Nc1ccccc1SCc2cncnc2 62a_100000210017_100015196519 [0,1,0,0,0,0|3,0,0]=4 831 B16R2.71 Nc1ccccc1SCc2cncnc2 62a_100015196519_100000210017 [0,1,0,0,0,0|3,0,0]=4 832 B16R2.71 Nc1ccccc1SCc2ncccn2 62a_100000210017_100000703007 [0,1,0,0,0,0|3,0,0]=4 833 B16R2.71 Nc1ccccc1SCc2ncccn2 62a_100000703007_100000210017 [0,1,0,0,0,0|3,0,0]=4 834 B16R2.71 Nc1cccnc1C#Cc2ccccc2 271570a_100000069678_100000688686 [0,1,0,0,0,0|3,0,0]=4 835 B16R2.71 Nc1cccnc1C=Cc2ccccc2 271570a_100102527694_100000688686 [0,1,0,0,0,0|3,0,0]=4 836 B16R2.71 Nc1cccnc1OCc2ccccc2 34a_100000746358_100015291786 [0,1,0,0,0,0|2,1,0]=4 837 B16R2.71 Nc1cccnc1SCc2ccccc2 62a_100000211182_100000688686 [0,1,0,0,0,0|2,0,0]=3 838 B16R2.71 Nc1cccnc1SCc2ccccc2 62a_100000688686_100015291786 [0,1,0,0,0,0|2,0,0]=3 839 B16R2.71 Nc1cccnc1SCc2ccccn2 62a_100000688686_100000721315 [0,1,0,0,0,0|3,0,0]=4 840 B16R2.71 Nc1cccnc1SCc2ccccn2 62a_100000721315_100000688686 [0,1,0,0,0,0|3,0,0]=4 841 B16R2.71 Nc1cccnc1SCc2cccnc2 62a_100000688686_100000741622 [0,1,0,0,0,0|3,0,0]=4 842 B16R2.71 Nc1cccnc1SCc2cccnc2 62a_100000741622_100000688686 [0,1,0,0,0,0|3,0,0]=4 843 B16R2.71 Nc1cccnc1SCc2ccncc2 62a_100000688686_100015193705 [0,1,0,0,0,0|3,0,0]=4 844 B16R2.71 Nc1cccnc1SCc2ccncc2 62a_100015193705_100000688686 [0,1,0,0,0,0|3,0,0]=4 845 B16R2.71 Nc1ccncc1C#Cc2ccccc2 271570a_100000069678_100000047001 [0,1,0,0,0,0|3,0,0]=4 846 B16R2.71 Nc1ccncc1C=Cc2ccccc2 271570a_100102527694_100000047001 [0,1,0,0,0,0|3,0,0]=4 847 B16R2.71 Nc1ccncc1OCc2ccccc2 34a_100000753702_100015291786 [0,1,0,0,0,0|2,1,0]=4 848 B16R2.71 Nc1ccncc1SCc2ccccc2 62a_100000047001_100015291786 [0,1,0,0,0,0|2,0,0]=3 849 B16R2.71 Nc1ccncc1SCc2ccccc2 62a_100000211182_100000047001 [0,1,0,0,0,0|2,0,0]=3 850 B16R2.71 Nc1ccncc1SCc2ccccn2 62a_100000047001_100000721315 [0,1,0,0,0,0|3,0,0]=4 851 B16R2.71 Nc1ccncc1SCc2ccccn2 62a_100000721315_100000047001 [0,1,0,0,0,0|3,0,0]=4 852 B16R2.71 Nc1ccncc1SCc2cccnc2 62a_100000047001_100000741622 [0,1,0,0,0,0|3,0,0]=4 853 B16R2.71 Nc1ccncc1SCc2cccnc2 62a_100000741622_100000047001 [0,1,0,0,0,0|3,0,0]=4 854 B16R2.71 Nc1ccncc1SCc2ccncc2 62a_100000047001_100015193705 [0,1,0,0,0,0|3,0,0]=4 855 B16R2.71 Nc1ccncc1SCc2ccncc2 62a_100015193705_100000047001 [0,1,0,0,0,0|3,0,0]=4 856 B16R2.71 Nc1cnccc1C#Cc2ccccc2 271570a_100000069678_100009815883 [0,1,0,0,0,0|3,0,0]=4 857 B16R2.71 Nc1cnccc1C=Cc2ccccc2 271570a_100102527694_100009815883 [0,1,0,0,0,0|3,0,0]=4 858 B16R2.71 Nc1cnccc1SCc2ccccc2 62a_100000211182_100000756074 [0,1,0,0,0,0|2,0,0]=3 859 B16R2.71 Nc1cnccc1SCc2ccccc2 62a_100000756074_100015291786 [0,1,0,0,0,0|2,0,0]=3 860 B16R2.71 Nc1cnccc1SCc2ccccn2 62a_100000721315_100000756074 [0,1,0,0,0,0|3,0,0]=4 861 B16R2.71 Nc1cnccc1SCc2ccccn2 62a_100000756074_100000721315 [0,1,0,0,0,0|3,0,0]=4 862 B16R2.71 Nc1cnccc1SCc2cccnc2 62a_100000741622_100000756074 [0,1,0,0,0,0|3,0,0]=4 863 B16R2.71 Nc1cnccc1SCc2cccnc2 62a_100000756074_100000741622 [0,1,0,0,0,0|3,0,0]=4 864 B16R2.71 Nc1cnccc1SCc2ccncc2 62a_100000756074_100015193705 [0,1,0,0,0,0|3,0,0]=4 865 B16R2.71 Nc1cnccc1SCc2ccncc2 62a_100015193705_100000756074 [0,1,0,0,0,0|3,0,0]=4 866 B16R2.71 Nc1cncnc1SCc2ccccc2 62a_100000211182_100000709731 [0,1,0,0,0,0|3,0,0]=4 867 B16R2.71 Nc1cncnc1SCc2ccccc2 62a_100000709731_100015291786 [0,1,0,0,0,0|3,0,0]=4 868 B16R2.71 Nc1cnncc1SCc2ccccc2 62a_100000211182_100009829405 [0,1,0,0,0,0|3,0,0]=4 869 B16R2.71 Nc1cnncc1SCc2ccccc2 62a_100009829405_100015291786 [0,1,0,0,0,0|3,0,0]=4 870 B16R2.71 Nc1ncccc1C#Cc2ccccc2 271570a_100000069678_100000045569 [0,1,0,0,0,0|3,0,0]=4 871 B16R2.71 Nc1ncccc1C=Cc2ccccc2 271570a_100102527694_100000045569 [0,1,0,0,0,0|3,0,0]=4 872 B16R2.71 Nc1ncccc1OCc2ccccc2 34a_100000211975_100015291786 [0,1,0,0,0,0|2,1,0]=4 873 B16R2.71 Nc1ncccc1OCc2ccccc2 7a_100000211975_100000211182 [0,1,0,0,0,0|2,1,0]=4 874 B16R2.71 Nc1ncccc1SCc2ccccc2 62a_100000045569_100015291786 [0,1,0,0,0,0|2,0,0]=3 875 B16R2.71 Nc1ncccc1SCc2ccccc2 62a_100000211182_100000045569 [0,1,0,0,0,0|2,0,0]=3 876 B16R2.71 Nc1ncccc1SCc2ccccn2 62a_100000045569_100000721315 [0,1,0,0,0,0|3,0,0]=4 877 B16R2.71 Nc1ncccc1SCc2ccccn2 62a_100000721315_100000045569 [0,1,0,0,0,0|3,0,0]=4 878 B16R2.71 Nc1ncccc1SCc2cccnc2 62a_100000045569_100000741622 [0,1,0,0,0,0|3,0,0]=4 879 B16R2.71 Nc1ncccc1SCc2cccnc2 62a_100000741622_100000045569 [0,1,0,0,0,0|3,0,0]=4 880 B16R2.71 Nc1ncccc1SCc2ccncc2 62a_100000045569_100015193705 [0,1,0,0,0,0|3,0,0]=4 881 B16R2.71 Nc1ncccc1SCc2ccncc2 62a_100015193705_100000045569 [0,1,0,0,0,0|3,0,0]=4 882 B16R2.71 Nc1nccnc1SCc2ccccc2 62a_100000211182_100000747729 [0,1,0,0,0,0|3,0,0]=4 883 B16R2.71 Nc1nccnc1SCc2ccccc2 62a_100000747729_100015291786 [0,1,0,0,0,0|3,0,0]=4 884 B16R2.71 Nc1ncncc1SCc2ccccc2 62a_100000211182_100011996079 [0,1,0,0,0,0|3,0,0]=4 885 B16R2.71 Nc1ncncc1SCc2ccccc2 62a_100011996079_100015291786 [0,1,0,0,0,0|3,0,0]=4 886 B16R2.71 O=c1[nH]cccc1C#Cc2ccccc2 271570a_100000069678_100000050042 [0,1,0,0,0,0|3,0,0]=4 887 B16R2.71 O=c1[nH]cccc1C=Cc2ccccc2 271570a_100102527694_100000050042 [0,1,0,0,0,0|3,0,0]=4 888 B16R2.71 O=c1[nH]ccnc1SCc2ccccc2 62a_100000211182_100000763361 [0,1,0,0,0,0|3,0,0]=4 889 B16R2.71 O=c1[nH]nccc1SCc2ccccc2 62a_100000211182_100000087129 [0,1,0,0,0,0|3,0,0]=4 890 B16R2.71 O=c1cc[nH]cc1C#Cc2ccccc2 271570a_100000069678_100009998708 [0,1,0,0,0,0|3,0,0]=4 891 B16R2.71 O=c1cc[nH]cc1C=Cc2ccccc2 271570a_100102527694_100009998708 [0,1,0,0,0,0|3,0,0]=4 892 B16R2.71 O=c1cc[nH]cc1SCc2ccccc2 62a_100000211182_100009998708 [0,1,0,0,0,0|2,0,0]=3 893 B16R2.71 O=c1cc[nH]cc1SCc2ccccc2 62a_100009998708_100015291786 [0,1,0,0,0,0|2,0,0]=3 894 B16R2.71 O=c1cc[nH]cc1SCc2ccccn2 62a_100000721315_100009998708 [0,1,0,0,0,0|3,0,0]=4 895 B16R2.71 O=c1cc[nH]cc1SCc2ccccn2 62a_100009998708_100000721315 [0,1,0,0,0,0|3,0,0]=4 896 B16R2.71 O=c1cc[nH]cc1SCc2cccnc2 62a_100000741622_100009998708 [0,1,0,0,0,0|3,0,0]=4 897 B16R2.71 O=c1cc[nH]cc1SCc2cccnc2 62a_100009998708_100000741622 [0,1,0,0,0,0|3,0,0]=4 898 B16R2.71 O=c1cc[nH]cc1SCc2ccncc2 62a_100009998708_100015193705 [0,1,0,0,0,0|3,0,0]=4 899 B16R2.71 O=c1cc[nH]cc1SCc2ccncc2 62a_100015193705_100009998708 [0,1,0,0,0,0|3,0,0]=4 900 B16R2.71 O=c1ccocc1OCc2ccccc2 34a_100000060831_100015291786 [0,1,0,0,0,0|2,1,0]=4 901 B16R2.71 O=c1occcc1OCc2ccccc2 34a_100000077404_100015291786 [0,1,0,0,0,0|2,1,0]=4 902 B16R2.71 O=c1occcc1OCc2ccccc2 7a_100000077404_100000211182 [0,1,0,0,0,0|2,1,0]=4 903 B16R2.71 Oc1ccccc1C#Cc2ccccc2 271570a_100000069678_100000739446 [0,1,0,0,0,0|2,0,0]=3 904 B16R2.71 Oc1ccccc1C#Cc2ccccc2 271570a_203496583355_100010200916 [0,1,0,0,0,0|2,0,0]=3 905 B16R2.71 Oc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000739446 [0,1,0,0,0,0|2,0,0]=3 906 B16R2.71 Oc1ccccc1C=Cc2cccnc2 271570a_100102525586_100000739446 [0,1,0,0,0,0|3,0,0]=4 907 B16R2.71 Oc1ccccc1CNc2ccccc2 270302a_100000106764_100000185834 [0,1,0,0,0,0|2,0,0]=3 908 B16R2.71 Oc1ccccc1NCc2ccccc2 34a_100000185747_100015291786 [0,1,0,0,0,0|2,0,0]=3 909 B16R2.71 Oc1ccccc1NCc2ccccn2 34a_100000185747_100000721315 [0,1,0,0,0,0|3,0,0]=4 910 B16R2.71 Oc1ccccc1NCc2cccnc2 34a_100000185747_100000733263 [0,1,0,0,0,0|3,0,0]=4 911 B16R2.71 Oc1ccccc1OCc2ccccc2 271570a_203496583355_100000151716 [0,1,0,0,0,0|1,1,0]=3 912 B16R2.71 Oc1ccccc1SCc2ccccc2 62a_100000211182_100000739446 [0,1,0,0,0,0|1,0,0]=2 913 B16R2.71 Oc1ccccc1SCc2ccccc2 62a_100000739446_100015291786 [0,1,0,0,0,0|1,0,0]=2 914 B16R2.71 Oc1ccccc1SCc2ccccn2 62a_100000721315_100000739446 [0,1,0,0,0,0|2,0,0]=3 915 B16R2.71 Oc1ccccc1SCc2ccccn2 62a_100000739446_100000721315 [0,1,0,0,0,0|2,0,0]=3 916 B16R2.71 Oc1ccccc1SCc2cccnc2 62a_100000739446_100000741622 [0,1,0,0,0,0|2,0,0]=3 917 B16R2.71 Oc1ccccc1SCc2cccnc2 62a_100000741622_100000739446 [0,1,0,0,0,0|2,0,0]=3 918 B16R2.71 Oc1ccccc1SCc2cccnn2 62a_100000739446_100016990269 [0,1,0,0,0,0|3,0,0]=4 919 B16R2.71 Oc1ccccc1SCc2cccnn2 62a_100016990269_100000739446 [0,1,0,0,0,0|3,0,0]=4 920 B16R2.71 Oc1ccccc1SCc2ccncc2 62a_100000739446_100015193705 [0,1,0,0,0,0|2,0,0]=3 921 B16R2.71 Oc1ccccc1SCc2ccncc2 62a_100015193705_100000739446 [0,1,0,0,0,0|2,0,0]=3 922 B16R2.71 Oc1ccccc1SCc2cnccn2 62a_100000739446_100016995436 [0,1,0,0,0,0|3,0,0]=4 923 B16R2.71 Oc1ccccc1SCc2cnccn2 62a_100016995436_100000739446 [0,1,0,0,0,0|3,0,0]=4 924 B16R2.71 Oc1ccccc1SCc2cncnc2 62a_100000739446_100015196519 [0,1,0,0,0,0|3,0,0]=4 925 B16R2.71 Oc1ccccc1SCc2cncnc2 62a_100015196519_100000739446 [0,1,0,0,0,0|3,0,0]=4 926 B16R2.71 Oc1ccccc1SCc2ncccn2 62a_100000703007_100000739446 [0,1,0,0,0,0|3,0,0]=4 927 B16R2.71 Oc1ccccc1SCc2ncccn2 62a_100000739446_100000703007 [0,1,0,0,0,0|3,0,0]=4 928 B16R2.71 Oc1cccnc1C#Cc2ccccc2 271570a_100000069678_100000034122 [0,1,0,0,0,0|3,0,0]=4 929 B16R2.71 Oc1cccnc1C=Cc2ccccc2 271570a_100102527694_100000034122 [0,1,0,0,0,0|3,0,0]=4 930 B16R2.71 Oc1cccnc1CNc2ccccc2 34a_100000106764_200020655725 [0,1,0,0,0,0|3,0,0]=4 931 B16R2.71 Oc1cccnc1COc2ccccc2 34a_100000210340_200020655725 [0,1,0,0,0,0|2,1,0]=4 932 B16R2.71 Oc1cccnc1COc2ccccc2 7a_100000210340_200020655725 [0,1,0,0,0,0|2,1,0]=4 933 B16R2.71 Oc1cccnc1CSc2ccccc2 62a_100000719477_200020655725 [0,1,0,0,0,0|2,0,0]=3 934 B16R2.71 Oc1cccnc1CSc2ccccc2 62a_200020655725_100000041952 [0,1,0,0,0,0|2,0,0]=3 935 B16R2.71 Oc1cccnc1CSc2ccccn2 62a_100011216584_200020655725 [0,1,0,0,0,0|3,0,0]=4 936 B16R2.71 Oc1cccnc1CSc2ccccn2 62a_200020655725_100011216584 [0,1,0,0,0,0|3,0,0]=4 937 B16R2.71 Oc1cccnc1CSc2cccnc2 62a_100000210063_200020655725 [0,1,0,0,0,0|3,0,0]=4 938 B16R2.71 Oc1cccnc1CSc2cccnc2 62a_200020655725_100000210063 [0,1,0,0,0,0|3,0,0]=4 939 B16R2.71 Oc1cccnc1CSc2ccncc2 62a_100000728582_200020655725 [0,1,0,0,0,0|3,0,0]=4 940 B16R2.71 Oc1cccnc1CSc2ccncc2 62a_200020655725_100000728582 [0,1,0,0,0,0|3,0,0]=4 941 B16R2.71 Oc1cccnc1OCc2ccccc2 271570a_203496583355_200011465151 [0,1,0,0,0,0|2,1,0]=4 942 B16R2.71 Oc1cccnc1SCc2ccccc2 62a_100000034122_100015291786 [0,1,0,0,0,0|2,0,0]=3 943 B16R2.71 Oc1cccnc1SCc2ccccc2 62a_100000211182_100000034122 [0,1,0,0,0,0|2,0,0]=3 944 B16R2.71 Oc1cccnc1SCc2ccccn2 62a_100000034122_100000721315 [0,1,0,0,0,0|3,0,0]=4 945 B16R2.71 Oc1cccnc1SCc2ccccn2 62a_100000721315_100000034122 [0,1,0,0,0,0|3,0,0]=4 946 B16R2.71 Oc1cccnc1SCc2cccnc2 62a_100000034122_100000741622 [0,1,0,0,0,0|3,0,0]=4 947 B16R2.71 Oc1cccnc1SCc2cccnc2 62a_100000741622_100000034122 [0,1,0,0,0,0|3,0,0]=4 948 B16R2.71 Oc1cccnc1SCc2ccncc2 62a_100000034122_100015193705 [0,1,0,0,0,0|3,0,0]=4 949 B16R2.71 Oc1cccnc1SCc2ccncc2 62a_100015193705_100000034122 [0,1,0,0,0,0|3,0,0]=4 950 B16R2.71 Oc1cnccc1C#Cc2ccccc2 271570a_100000069678_100009817591 [0,1,0,0,0,0|3,0,0]=4 951 B16R2.71 Oc1cnccc1C=Cc2ccccc2 271570a_100102527694_100009817591 [0,1,0,0,0,0|3,0,0]=4 952 B16R2.71 Oc1cnccc1SCc2ccccc2 62a_100000211182_100009817591 [0,1,0,0,0,0|2,0,0]=3 953 B16R2.71 Oc1cnccc1SCc2ccccc2 62a_100009817591_100015291786 [0,1,0,0,0,0|2,0,0]=3 954 B16R2.71 Oc1cnccc1SCc2ccccn2 62a_100000721315_100009817591 [0,1,0,0,0,0|3,0,0]=4 955 B16R2.71 Oc1cnccc1SCc2ccccn2 62a_100009817591_100000721315 [0,1,0,0,0,0|3,0,0]=4 956 B16R2.71 Oc1cnccc1SCc2cccnc2 62a_100000741622_100009817591 [0,1,0,0,0,0|3,0,0]=4 957 B16R2.71 Oc1cnccc1SCc2cccnc2 62a_100009817591_100000741622 [0,1,0,0,0,0|3,0,0]=4 958 B16R2.71 Oc1cnccc1SCc2ccncc2 62a_100009817591_100015193705 [0,1,0,0,0,0|3,0,0]=4 959 B16R2.71 Oc1cnccc1SCc2ccncc2 62a_100015193705_100009817591 [0,1,0,0,0,0|3,0,0]=4 960 B16R2.71 Oc1ncccc1CNc2ccccc2 207a_100000106764_100011998315 [0,1,0,0,0,0|3,0,0]=4 961 B16R2.71 Oc1ncccc1CNc2ccccc2 270302a_100000106764_100011998315 [0,1,0,0,0,0|3,0,0]=4 962 B16R2.71 Oc1ncccc1OCc2ccccc2 271570a_203496583355_100011501402 [0,1,0,0,0,0|2,1,0]=4 963 B16R2.71 Oc1ncccc1SCc2ccccc2 62a_100000211182_100000760158 [0,1,0,0,0,0|2,0,0]=3 964 B16R2.71 Oc1ncccc1SCc2ccccc2 62a_100000760158_100015291786 [0,1,0,0,0,0|2,0,0]=3 965 B16R2.71 Oc1ncccc1SCc2ccccn2 62a_100000721315_100000760158 [0,1,0,0,0,0|3,0,0]=4 966 B16R2.71 Oc1ncccc1SCc2ccccn2 62a_100000760158_100000721315 [0,1,0,0,0,0|3,0,0]=4 967 B16R2.71 Oc1ncccc1SCc2cccnc2 62a_100000741622_100000760158 [0,1,0,0,0,0|3,0,0]=4 968 B16R2.71 Oc1ncccc1SCc2cccnc2 62a_100000760158_100000741622 [0,1,0,0,0,0|3,0,0]=4 969 B16R2.71 Oc1ncccc1SCc2ccncc2 62a_100000760158_100015193705 [0,1,0,0,0,0|3,0,0]=4 970 B16R2.71 Oc1ncccc1SCc2ccncc2 62a_100015193705_100000760158 [0,1,0,0,0,0|3,0,0]=4 971 B16R2.71 Oc1ncncc1SCc2ccccc2 62a_100000211182_100000751107 [0,1,0,0,0,0|3,0,0]=4 972 B16R2.71 Oc1ncncc1SCc2ccccc2 62a_100000751107_100015291786 [0,1,0,0,0,0|3,0,0]=4 973 B16R2.71 S=c1cc[nH]cc1C#Cc2ccccc2 271570a_100000069678_200012280681 [0,1,0,0,0,0|3,0,0]=4 974 B16R2.71 S=c1cc[nH]cc1C=Cc2ccccc2 271570a_100102527694_200012280681 [0,1,0,0,0,0|3,0,0]=4 975 B16R2.71 S=c1cc[nH]cc1SCc2ccccc2 62a_100000211182_200012280681 [0,1,0,0,0,0|2,0,0]=3 976 B16R2.71 S=c1cc[nH]cc1SCc2ccccc2 62a_200012280681_100015291786 [0,1,0,0,0,0|2,0,0]=3 977 B16R2.71 S=c1cc[nH]cc1SCc2ccccn2 62a_100000721315_200012280681 [0,1,0,0,0,0|3,0,0]=4 978 B16R2.71 S=c1cc[nH]cc1SCc2ccccn2 62a_200012280681_100000721315 [0,1,0,0,0,0|3,0,0]=4 979 B16R2.71 S=c1cc[nH]cc1SCc2cccnc2 62a_100000741622_200012280681 [0,1,0,0,0,0|3,0,0]=4 980 B16R2.71 S=c1cc[nH]cc1SCc2cccnc2 62a_200012280681_100000741622 [0,1,0,0,0,0|3,0,0]=4 981 B16R2.71 S=c1cc[nH]cc1SCc2ccncc2 62a_100015193705_200012280681 [0,1,0,0,0,0|3,0,0]=4 982 B16R2.71 S=c1cc[nH]cc1SCc2ccncc2 62a_200012280681_100015193705 [0,1,0,0,0,0|3,0,0]=4 983 B16R2.71 [O-][n+]1ccccc1C#Cc2ccccc2 271570a_100000069678_200000042595 [0,1,0,0,0,0|3,0,0]=4 984 B16R2.71 [O-][n+]1ccccc1C=Cc2ccccc2 271570a_100102527694_200000042595 [0,1,0,0,0,0|3,0,0]=4 985 B16R2.71 [O-][n+]1ccccc1OCc2ccccc2 7a_100000211761_100000211182 [0,1,0,0,0,0|2,1,0]=4 986 B16R2.71 [O-][n+]1ccccc1SCc2ccccc2 62a_100000211182_200000042595 [0,1,0,0,0,0|2,0,0]=3 987 B16R2.71 [O-][n+]1ccccc1SCc2ccccn2 62a_100000721315_200000042595 [0,1,0,0,0,0|3,0,0]=4 988 B16R2.71 [O-][n+]1ccccc1SCc2cccnc2 62a_100000741622_200000042595 [0,1,0,0,0,0|3,0,0]=4 989 B16R2.71 [O-][n+]1ccccc1SCc2ccncc2 62a_100015193705_200000042595 [0,1,0,0,0,0|3,0,0]=4 990 B16R2.88 CC(Cc1ccccc1)c2ccccc2 271570a_100000062452_100000210277 [0,1,0,0,0,0|2,0,0]=3 991 B16R2.88 CC(Cc1ccccn1)c2ccccc2 271570a_100000062452_100011216584 [0,1,0,0,0,0|3,0,0]=4 992 B16R2.88 CC(Cc1cccnc1)c2ccccc2 271570a_100000062452_100000752921 [0,1,0,0,0,0|3,0,0]=4 993 B16R2.88 CC(Cc1ccncc1)c2ccccc2 271570a_100000062452_100000035832 [0,1,0,0,0,0|3,0,0]=4 994 B16R2.88 CC(Nc1ccccc1)c2ccccc2 34a_100000106764_100000211855 [0,1,0,0,0,0|2,0,0]=3 995 B16R2.88 CC(Oc1ccccc1)c2ccccc2 34a_100000210340_100000211855 [0,1,0,0,0,0|1,1,0]=3 996 B16R2.88 CC(Oc1ccccc1)c2ccccc2 7a_100000210340_100000230085 [0,1,0,0,0,0|1,1,0]=3 997 B16R2.88 CC(Oc1cccnc1)c2ccccc2 34a_100000210849_100000211855 [0,1,0,0,0,0|2,1,0]=4 998 B16R2.88 CC(Oc1cccnc1)c2ccccc2 7a_100000210849_100000230085 [0,1,0,0,0,0|2,1,0]=4 999 B16R2.88 CC(Oc1ccncc1)c2ccccc2 34a_100000212176_100000211855 [0,1,0,0,0,0|2,1,0]=4 1000 B16R2.88 CC(Sc1ccccc1)c2ccccc2 62a_100000230085_100000041952 [0,1,0,0,0,0|1,0,0]=2 1001 B16R2.88 CC(Sc1ccccc1)c2ccccc2 62a_100000719477_100000230085 [0,1,0,0,0,0|1,0,0]=2 1002 B16R2.88 CC(Sc1ccccc1)c2cnccn2 62a_100000719477_200000703233 [0,1,0,0,0,0|3,0,0]=4 1003 B16R2.88 CC(Sc1ccccc1)c2cnccn2 62a_200000703233_100000041952 [0,1,0,0,0,0|3,0,0]=4 1004 B16R2.88 CC(Sc1ccccn1)c2ccccc2 62a_100000230085_100011216584 [0,1,0,0,0,0|2,0,0]=3 1005 B16R2.88 CC(Sc1ccccn1)c2ccccc2 62a_100011216584_100000230085 [0,1,0,0,0,0|2,0,0]=3 1006 B16R2.88 CC(Sc1cccnc1)c2ccccc2 62a_100000210063_100000230085 [0,1,0,0,0,0|2,0,0]=3 1007 B16R2.88 CC(Sc1cccnc1)c2ccccc2 62a_100000230085_100000210063 [0,1,0,0,0,0|2,0,0]=3 1008 B16R2.88 CC(Sc1cccnn1)c2ccccc2 62a_100000230085_100016991348 [0,1,0,0,0,0|3,0,0]=4 1009 B16R2.88 CC(Sc1cccnn1)c2ccccc2 62a_100016991348_100000230085 [0,1,0,0,0,0|3,0,0]=4 1010 B16R2.88 CC(Sc1ccncc1)c2ccccc2 62a_100000230085_100000728582 [0,1,0,0,0,0|2,0,0]=3 1011 B16R2.88 CC(Sc1ccncc1)c2ccccc2 62a_100000728582_100000230085 [0,1,0,0,0,0|2,0,0]=3 1012 B16R2.88 CC(Sc1ccncn1)c2ccccc2 62a_100000230085_100000703185 [0,1,0,0,0,0|3,0,0]=4 1013 B16R2.88 CC(Sc1ccncn1)c2ccccc2 62a_100000703185_100000230085 [0,1,0,0,0,0|3,0,0]=4 1014 B16R2.88 CC(Sc1ccnnc1)c2ccccc2 62a_100000230085_100000732662 [0,1,0,0,0,0|3,0,0]=4 1015 B16R2.88 CC(Sc1ccnnc1)c2ccccc2 62a_100000732662_100000230085 [0,1,0,0,0,0|3,0,0]=4 1016 B16R2.88 CC(Sc1cnccn1)c2ccccc2 62a_100000211759_100000230085 [0,1,0,0,0,0|3,0,0]=4 1017 B16R2.88 CC(Sc1cnccn1)c2ccccc2 62a_100000230085_100000211759 [0,1,0,0,0,0|3,0,0]=4 1018 B16R2.88 CC(Sc1cncnc1)c2ccccc2 62a_100000230085_100011206942 [0,1,0,0,0,0|3,0,0]=4 1019 B16R2.88 CC(Sc1cncnc1)c2ccccc2 62a_100011206942_100000230085 [0,1,0,0,0,0|3,0,0]=4 1020 B16R2.88 CC(Sc1ncccn1)c2ccccc2 62a_100000211032_100000230085 [0,1,0,0,0,0|3,0,0]=4 1021 B16R2.88 CC(Sc1ncccn1)c2ccccc2 62a_100000230085_100000211032 [0,1,0,0,0,0|3,0,0]=4 1022 B16R2.88 CN(Cc1ccccc1)c2ccccc2 2230a_100000188819_200000210301 [0,1,0,0,0,0|2,0,0]=3 1023 B16R2.88 CN(Cc1ccccc1)c2ccccc2 2230a_100000210012_100015291786 [0,1,0,0,0,0|2,0,0]=3 1024 B16R2.88 CN(Cc1ccccc1)c2ccccc2 269982a_100000188819_200000210301 [0,1,0,0,0,0|2,0,0]=3 1025 B16R2.88 CN(Cc1ccccc1)c2ccccc2 269982a_100000210012_100000211182 [0,1,0,0,0,0|2,0,0]=3 1026 B16R2.88 CN(Cc1ccccc1)c2ccccc2 34a_100000188819_200000210301 [0,1,0,0,0,0|2,0,0]=3 1027 B16R2.88 CN(Cc1ccccc1)c2ccccc2 34a_100000210012_100015291786 [0,1,0,0,0,0|2,0,0]=3 1028 B16R2.88 CN(Cc1ccccn1)c2ccccc2 2230a_100000210012_100000721315 [0,1,0,0,0,0|3,0,0]=4 1029 B16R2.88 CN(Cc1ccccn1)c2ccccc2 269982a_100000210012_100000721315 [0,1,0,0,0,0|3,0,0]=4 1030 B16R2.88 CN(Cc1ccccn1)c2ccccc2 34a_100000210012_100000721315 [0,1,0,0,0,0|3,0,0]=4 1031 B16R2.88 CN(Cc1cccnc1)c2ccccc2 2230a_100000210012_100000741622 [0,1,0,0,0,0|3,0,0]=4 1032 B16R2.88 CN(Cc1cccnc1)c2ccccc2 269982a_100000210012_100000733263 [0,1,0,0,0,0|3,0,0]=4 1033 B16R2.88 CN(Cc1cccnc1)c2ccccc2 34a_100000210012_100000733263 [0,1,0,0,0,0|3,0,0]=4 1034 B16R2.88 CN(Cc1ccncc1)c2ccccc2 2230a_100000210012_100015193705 [0,1,0,0,0,0|3,0,0]=4 1035 B16R2.88 CN(Cc1ccncc1)c2ccccc2 269982a_100000210012_100015193705 [0,1,0,0,0,0|3,0,0]=4 1036 B16R2.88 O=C(Cc1ccccc1)c2ccccc2 1458a_100000185807_100015291786 [0,1,0,0,0,0|2,0,0]=3 1037 B16R2.88 O=C(Cc1ccccn1)c2ccccc2 1458a_100000185807_100000721315 [0,1,0,0,0,0|3,0,0]=4 1038 B16R2.88 O=C(Cc1cccnc1)c2ccccc2 1458a_100000185807_100000733263 [0,1,0,0,0,0|3,0,0]=4 1039 B16R2.88 O=C(Cc1ccncc1)c2ccccc2 1458a_100000185807_100000705612 [0,1,0,0,0,0|3,0,0]=4 1040 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 11a_100000106764_100000185807 [0,1,0,0,0,0|2,0,0]=3 1041 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 1626a_100000106764_100000185807 [0,1,0,0,0,0|2,0,0]=3 1042 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 22a_100000106764_100000185807 [0,1,0,0,0,0|2,0,0]=3 1043 B16R2.88 O=C(Nc1ccccc1)c2ccccc2 527a_100000106764_100000185807 [0,1,0,0,0,0|2,0,0]=3 1044 B16R2.88 [13CH3]N(Cc1ccccc1)c2ccccc2 2230a_100000188819_200025704644 [0,1,0,0,0,0|2,0,0]=3 1045 B16R2.88 [13CH3]N(Cc1ccccc1)c2ccccc2 269982a_100000188819_200025704644 [0,1,0,0,0,0|2,0,0]=3 1046 B16R2.88 [13CH3]N(Cc1ccccc1)c2ccccc2 34a_100000188819_200025704644 [0,1,0,0,0,0|2,0,0]=3 1047 B16R2.132 Brc1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100000752885 [0,1,0,0,0,0|2,0,0]=3 1048 B16R2.132 Brc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000752885 [0,1,0,0,0,0|2,0,0]=3 1049 B16R2.132 Brc1ccc(cc1)C=Cc2ccccc2 271570a_100102527914_100000210277 [0,1,0,0,0,0|2,0,0]=3 1050 B16R2.132 Brc1ccc(cc1)C=Cc2ccccn2 271570a_100102527914_100011216584 [0,1,0,0,0,0|3,0,0]=4 1051 B16R2.132 Brc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000752885 [0,1,0,0,0,0|3,0,0]=4 1052 B16R2.132 Brc1ccc(cc1)C=Cc2cccnc2 271570a_100102527914_100000752921 [0,1,0,0,0,0|3,0,0]=4 1053 B16R2.132 Brc1ccc(cc1)C=Cc2ccncc2 271570a_100102527914_100000035832 [0,1,0,0,0,0|3,0,0]=4 1054 B16R2.132 Brc1ccc(cc1)CNc2ccccc2 207a_100000106764_100000186029 [0,1,0,0,0,0|2,0,0]=3 1055 B16R2.132 Brc1ccc(cc1)CNc2ccccc2 270302a_100000106764_100000186029 [0,1,0,0,0,0|2,0,0]=3 1056 B16R2.132 Brc1ccc(cc1)CNc2ccccc2 34a_100000106764_100000189115 [0,1,0,0,0,0|2,0,0]=3 1057 B16R2.132 Brc1ccc(cc1)COc2ccccc2 34a_100000210340_100000189115 [0,1,0,0,0,0|1,1,0]=3 1058 B16R2.132 Brc1ccc(cc1)COc2ccccc2 7a_100000210340_100011217064 [0,1,0,0,0,0|1,1,0]=3 1059 B16R2.132 Brc1ccc(cc1)COc2cccnc2 34a_100000210849_100000189115 [0,1,0,0,0,0|2,1,0]=4 1060 B16R2.132 Brc1ccc(cc1)COc2cccnc2 7a_100000210849_100011217064 [0,1,0,0,0,0|2,1,0]=4 1061 B16R2.132 Brc1ccc(cc1)COc2ccncc2 34a_100000212176_100000189115 [0,1,0,0,0,0|2,1,0]=4 1062 B16R2.132 Brc1ccc(cc1)CSc2ccccc2 62a_100000189115_100000041952 [0,1,0,0,0,0|1,0,0]=2 1063 B16R2.132 Brc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000189115 [0,1,0,0,0,0|1,0,0]=2 1064 B16R2.132 Brc1ccc(cc1)CSc2ccccn2 62a_100000189115_100011216584 [0,1,0,0,0,0|2,0,0]=3 1065 B16R2.132 Brc1ccc(cc1)CSc2ccccn2 62a_100011216584_100000189115 [0,1,0,0,0,0|2,0,0]=3 1066 B16R2.132 Brc1ccc(cc1)CSc2cccnc2 62a_100000189115_100000210063 [0,1,0,0,0,0|2,0,0]=3 1067 B16R2.132 Brc1ccc(cc1)CSc2cccnc2 62a_100000210063_100000189115 [0,1,0,0,0,0|2,0,0]=3 1068 B16R2.132 Brc1ccc(cc1)CSc2cccnn2 62a_100000189115_100016991348 [0,1,0,0,0,0|3,0,0]=4 1069 B16R2.132 Brc1ccc(cc1)CSc2cccnn2 62a_100016991348_100000189115 [0,1,0,0,0,0|3,0,0]=4 1070 B16R2.132 Brc1ccc(cc1)CSc2ccncc2 62a_100000189115_100000728582 [0,1,0,0,0,0|2,0,0]=3 1071 B16R2.132 Brc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000189115 [0,1,0,0,0,0|2,0,0]=3 1072 B16R2.132 Brc1ccc(cc1)CSc2ccncn2 62a_100000189115_100000703185 [0,1,0,0,0,0|3,0,0]=4 1073 B16R2.132 Brc1ccc(cc1)CSc2ccncn2 62a_100000703185_100000189115 [0,1,0,0,0,0|3,0,0]=4 1074 B16R2.132 Brc1ccc(cc1)CSc2ccnnc2 62a_100000189115_100000732662 [0,1,0,0,0,0|3,0,0]=4 1075 B16R2.132 Brc1ccc(cc1)CSc2ccnnc2 62a_100000732662_100000189115 [0,1,0,0,0,0|3,0,0]=4 1076 B16R2.132 Brc1ccc(cc1)CSc2cnccn2 62a_100000189115_100000211759 [0,1,0,0,0,0|3,0,0]=4 1077 B16R2.132 Brc1ccc(cc1)CSc2cnccn2 62a_100000211759_100000189115 [0,1,0,0,0,0|3,0,0]=4 1078 B16R2.132 Brc1ccc(cc1)CSc2cncnc2 62a_100000189115_100011206942 [0,1,0,0,0,0|3,0,0]=4 1079 B16R2.132 Brc1ccc(cc1)CSc2cncnc2 62a_100011206942_100000189115 [0,1,0,0,0,0|3,0,0]=4 1080 B16R2.132 Brc1ccc(cc1)CSc2ncccn2 62a_100000189115_100000211032 [0,1,0,0,0,0|3,0,0]=4 1081 B16R2.132 Brc1ccc(cc1)CSc2ncccn2 62a_100000211032_100000189115 [0,1,0,0,0,0|3,0,0]=4 1082 B16R2.132 Brc1ccc(cc1)NCc2ccccc2 207a_100000210018_100015611070 [0,1,0,0,0,0|2,0,0]=3 1083 B16R2.132 Brc1ccc(cc1)NCc2ccccc2 2230a_100000210018_100015291786 [0,1,0,0,0,0|2,0,0]=3 1084 B16R2.132 Brc1ccc(cc1)NCc2ccccc2 270302a_100000210018_100015611070 [0,1,0,0,0,0|2,0,0]=3 1085 B16R2.132 Brc1ccc(cc1)NCc2ccccc2 34a_100000210018_100015291786 [0,1,0,0,0,0|2,0,0]=3 1086 B16R2.132 Brc1ccc(cc1)NCc2ccccn2 207a_100000210018_100000209966 [0,1,0,0,0,0|3,0,0]=4 1087 B16R2.132 Brc1ccc(cc1)NCc2ccccn2 2230a_100000210018_100000721315 [0,1,0,0,0,0|3,0,0]=4 1088 B16R2.132 Brc1ccc(cc1)NCc2ccccn2 270302a_100000210018_100000209966 [0,1,0,0,0,0|3,0,0]=4 1089 B16R2.132 Brc1ccc(cc1)NCc2ccccn2 34a_100000210018_100000721315 [0,1,0,0,0,0|3,0,0]=4 1090 B16R2.132 Brc1ccc(cc1)NCc2cccnc2 207a_100000210018_100000209961 [0,1,0,0,0,0|3,0,0]=4 1091 B16R2.132 Brc1ccc(cc1)NCc2cccnc2 2230a_100000210018_100000741622 [0,1,0,0,0,0|3,0,0]=4 1092 B16R2.132 Brc1ccc(cc1)NCc2cccnc2 270302a_100000210018_100000209961 [0,1,0,0,0,0|3,0,0]=4 1093 B16R2.132 Brc1ccc(cc1)NCc2cccnc2 34a_100000210018_100000733263 [0,1,0,0,0,0|3,0,0]=4 1094 B16R2.132 Brc1ccc(cc1)NCc2ccncc2 207a_100000210018_100000186114 [0,1,0,0,0,0|3,0,0]=4 1095 B16R2.132 Brc1ccc(cc1)NCc2ccncc2 2230a_100000210018_100015193705 [0,1,0,0,0,0|3,0,0]=4 1096 B16R2.132 Brc1ccc(cc1)OCc2ccccc2 34a_100000185759_100015291786 [0,1,0,0,0,0|1,1,0]=3 1097 B16R2.132 Brc1ccc(cc1)OCc2ccccc2 7a_100000185759_100000211182 [0,1,0,0,0,0|1,1,0]=3 1098 B16R2.132 Brc1ccc(cc1)OCc2ccccn2 34a_100000185759_100000721315 [0,1,0,0,0,0|2,1,0]=4 1099 B16R2.132 Brc1ccc(cc1)OCc2ccccn2 7a_100000185759_100000721315 [0,1,0,0,0,0|2,1,0]=4 1100 B16R2.132 Brc1ccc(cc1)OCc2cccnc2 34a_100000185759_100000733263 [0,1,0,0,0,0|2,1,0]=4 1101 B16R2.132 Brc1ccc(cc1)OCc2cccnc2 7a_100000185759_100000741622 [0,1,0,0,0,0|2,1,0]=4 1102 B16R2.132 Brc1ccc(cc1)OCc2ccncc2 7a_100000185759_100015193705 [0,1,0,0,0,0|2,1,0]=4 1103 B16R2.132 Brc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000752885 [0,1,0,0,0,0|1,0,0]=2 1104 B16R2.132 Brc1ccc(cc1)SCc2ccccc2 62a_100000752885_100015291786 [0,1,0,0,0,0|1,0,0]=2 1105 B16R2.132 Brc1ccc(cc1)SCc2ccccn2 62a_100000721315_100000752885 [0,1,0,0,0,0|2,0,0]=3 1106 B16R2.132 Brc1ccc(cc1)SCc2ccccn2 62a_100000752885_100000721315 [0,1,0,0,0,0|2,0,0]=3 1107 B16R2.132 Brc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000752885 [0,1,0,0,0,0|2,0,0]=3 1108 B16R2.132 Brc1ccc(cc1)SCc2cccnc2 62a_100000752885_100000741622 [0,1,0,0,0,0|2,0,0]=3 1109 B16R2.132 Brc1ccc(cc1)SCc2cccnn2 62a_100000752885_100016990269 [0,1,0,0,0,0|3,0,0]=4 1110 B16R2.132 Brc1ccc(cc1)SCc2cccnn2 62a_100016990269_100000752885 [0,1,0,0,0,0|3,0,0]=4 1111 B16R2.132 Brc1ccc(cc1)SCc2ccncc2 62a_100000752885_100015193705 [0,1,0,0,0,0|2,0,0]=3 1112 B16R2.132 Brc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000752885 [0,1,0,0,0,0|2,0,0]=3 1113 B16R2.132 Brc1ccc(cc1)SCc2cnccn2 62a_100000752885_100016995436 [0,1,0,0,0,0|3,0,0]=4 1114 B16R2.132 Brc1ccc(cc1)SCc2cnccn2 62a_100016995436_100000752885 [0,1,0,0,0,0|3,0,0]=4 1115 B16R2.132 Brc1ccc(cc1)SCc2cncnc2 62a_100000752885_100015196519 [0,1,0,0,0,0|3,0,0]=4 1116 B16R2.132 Brc1ccc(cc1)SCc2cncnc2 62a_100015196519_100000752885 [0,1,0,0,0,0|3,0,0]=4 1117 B16R2.132 Brc1ccc(cc1)SCc2ncccn2 62a_100000703007_100000752885 [0,1,0,0,0,0|3,0,0]=4 1118 B16R2.132 Brc1ccc(cc1)SCc2ncccn2 62a_100000752885_100000703007 [0,1,0,0,0,0|3,0,0]=4 1119 B16R2.132 Brc1ccc(cn1)C#Cc2ccccc2 271570a_100000069678_100009814638 [0,1,0,0,0,0|3,0,0]=4 1120 B16R2.132 Brc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100009814638 [0,1,0,0,0,0|3,0,0]=4 1121 B16R2.132 Brc1ccc(cn1)CNc2ccccc2 34a_100000106764_100009831999 [0,1,0,0,0,0|3,0,0]=4 1122 B16R2.132 Brc1ccc(cn1)COc2ccccc2 34a_100000210340_100009831999 [0,1,0,0,0,0|2,1,0]=4 1123 B16R2.132 Brc1ccc(cn1)COc2ccccc2 7a_100000210340_100009831999 [0,1,0,0,0,0|2,1,0]=4 1124 B16R2.132 Brc1ccc(cn1)CSc2ccccc2 62a_100000719477_100009831999 [0,1,0,0,0,0|2,0,0]=3 1125 B16R2.132 Brc1ccc(cn1)CSc2ccccc2 62a_100009831999_100000041952 [0,1,0,0,0,0|2,0,0]=3 1126 B16R2.132 Brc1ccc(cn1)CSc2ccccn2 62a_100009831999_100011216584 [0,1,0,0,0,0|3,0,0]=4 1127 B16R2.132 Brc1ccc(cn1)CSc2ccccn2 62a_100011216584_100009831999 [0,1,0,0,0,0|3,0,0]=4 1128 B16R2.132 Brc1ccc(cn1)CSc2cccnc2 62a_100000210063_100009831999 [0,1,0,0,0,0|3,0,0]=4 1129 B16R2.132 Brc1ccc(cn1)CSc2cccnc2 62a_100009831999_100000210063 [0,1,0,0,0,0|3,0,0]=4 1130 B16R2.132 Brc1ccc(cn1)CSc2ccncc2 62a_100000728582_100009831999 [0,1,0,0,0,0|3,0,0]=4 1131 B16R2.132 Brc1ccc(cn1)CSc2ccncc2 62a_100009831999_100000728582 [0,1,0,0,0,0|3,0,0]=4 1132 B16R2.132 Brc1ccc(cn1)OCc2ccccc2 34a_100000685995_100015291786 [0,1,0,0,0,0|2,1,0]=4 1133 B16R2.132 Brc1ccc(cn1)OCc2ccccc2 7a_100000685995_100000211182 [0,1,0,0,0,0|2,1,0]=4 1134 B16R2.132 Brc1ccc(cn1)SCc2ccccc2 62a_100000211182_100009814638 [0,1,0,0,0,0|2,0,0]=3 1135 B16R2.132 Brc1ccc(cn1)SCc2ccccc2 62a_100009814638_100015291786 [0,1,0,0,0,0|2,0,0]=3 1136 B16R2.132 Brc1ccc(cn1)SCc2ccccn2 62a_100000721315_100009814638 [0,1,0,0,0,0|3,0,0]=4 1137 B16R2.132 Brc1ccc(cn1)SCc2ccccn2 62a_100009814638_100000721315 [0,1,0,0,0,0|3,0,0]=4 1138 B16R2.132 Brc1ccc(cn1)SCc2cccnc2 62a_100000741622_100009814638 [0,1,0,0,0,0|3,0,0]=4 1139 B16R2.132 Brc1ccc(cn1)SCc2cccnc2 62a_100009814638_100000741622 [0,1,0,0,0,0|3,0,0]=4 1140 B16R2.132 Brc1ccc(cn1)SCc2ccncc2 62a_100009814638_100015193705 [0,1,0,0,0,0|3,0,0]=4 1141 B16R2.132 Brc1ccc(cn1)SCc2ccncc2 62a_100015193705_100009814638 [0,1,0,0,0,0|3,0,0]=4 1142 B16R2.132 Brc1ccc(nc1)C#Cc2ccccc2 271570a_100000069678_100000686858 [0,1,0,0,0,0|3,0,0]=4 1143 B16R2.132 Brc1ccc(nc1)C=Cc2ccccc2 271570a_100102527694_100000686858 [0,1,0,0,0,0|3,0,0]=4 1144 B16R2.132 Brc1ccc(nc1)CNc2ccccc2 207a_100000106764_100000754260 [0,1,0,0,0,0|3,0,0]=4 1145 B16R2.132 Brc1ccc(nc1)CNc2ccccc2 270302a_100000106764_100000754260 [0,1,0,0,0,0|3,0,0]=4 1146 B16R2.132 Brc1ccc(nc1)CNc2ccccc2 34a_100000106764_100000702658 [0,1,0,0,0,0|3,0,0]=4 1147 B16R2.132 Brc1ccc(nc1)COc2ccccc2 34a_100000210340_100000702658 [0,1,0,0,0,0|2,1,0]=4 1148 B16R2.132 Brc1ccc(nc1)COc2ccccc2 7a_100000210340_100000702658 [0,1,0,0,0,0|2,1,0]=4 1149 B16R2.132 Brc1ccc(nc1)CSc2ccccc2 62a_100000702658_100000041952 [0,1,0,0,0,0|2,0,0]=3 1150 B16R2.132 Brc1ccc(nc1)CSc2ccccc2 62a_100000719477_100000702658 [0,1,0,0,0,0|2,0,0]=3 1151 B16R2.132 Brc1ccc(nc1)CSc2ccccn2 62a_100000702658_100011216584 [0,1,0,0,0,0|3,0,0]=4 1152 B16R2.132 Brc1ccc(nc1)CSc2ccccn2 62a_100011216584_100000702658 [0,1,0,0,0,0|3,0,0]=4 1153 B16R2.132 Brc1ccc(nc1)CSc2cccnc2 62a_100000210063_100000702658 [0,1,0,0,0,0|3,0,0]=4 1154 B16R2.132 Brc1ccc(nc1)CSc2cccnc2 62a_100000702658_100000210063 [0,1,0,0,0,0|3,0,0]=4 1155 B16R2.132 Brc1ccc(nc1)CSc2ccncc2 62a_100000702658_100000728582 [0,1,0,0,0,0|3,0,0]=4 1156 B16R2.132 Brc1ccc(nc1)CSc2ccncc2 62a_100000728582_100000702658 [0,1,0,0,0,0|3,0,0]=4 1157 B16R2.132 Brc1ccc(nc1)NCc2ccccc2 27a_100015324214_100000686858 [0,1,0,0,0,0|3,0,0]=4 1158 B16R2.132 Brc1ccc(nc1)SCc2ccccc2 62a_100000211182_100000686858 [0,1,0,0,0,0|2,0,0]=3 1159 B16R2.132 Brc1ccc(nc1)SCc2ccccc2 62a_100000686858_100015291786 [0,1,0,0,0,0|2,0,0]=3 1160 B16R2.132 Brc1ccc(nc1)SCc2ccccn2 62a_100000686858_100000721315 [0,1,0,0,0,0|3,0,0]=4 1161 B16R2.132 Brc1ccc(nc1)SCc2ccccn2 62a_100000721315_100000686858 [0,1,0,0,0,0|3,0,0]=4 1162 B16R2.132 Brc1ccc(nc1)SCc2cccnc2 62a_100000686858_100000741622 [0,1,0,0,0,0|3,0,0]=4 1163 B16R2.132 Brc1ccc(nc1)SCc2cccnc2 62a_100000741622_100000686858 [0,1,0,0,0,0|3,0,0]=4 1164 B16R2.132 Brc1ccc(nc1)SCc2ccncc2 62a_100000686858_100015193705 [0,1,0,0,0,0|3,0,0]=4 1165 B16R2.132 Brc1ccc(nc1)SCc2ccncc2 62a_100015193705_100000686858 [0,1,0,0,0,0|3,0,0]=4 1166 B16R2.132 Brc1cnc(cn1)SCc2ccccc2 62a_100000211182_100010187541 [0,1,0,0,0,0|3,0,0]=4 1167 B16R2.132 Brc1cnc(cn1)SCc2ccccc2 62a_100010187541_100015291786 [0,1,0,0,0,0|3,0,0]=4 1168 B16R2.132 Brc1cnc(nc1)CSc2ccccc2 62a_100000719477_100010064664 [0,1,0,0,0,0|3,0,0]=4 1169 B16R2.132 Brc1cnc(nc1)CSc2ccccc2 62a_100010064664_100000041952 [0,1,0,0,0,0|3,0,0]=4 1170 B16R2.132 Brc1cnc(nc1)SCc2ccccc2 62a_100000211182_100000690281 [0,1,0,0,0,0|3,0,0]=4 1171 B16R2.132 Brc1cnc(nc1)SCc2ccccc2 62a_100000690281_100015291786 [0,1,0,0,0,0|3,0,0]=4 1172 B16R2.132 Brc1ncc(cn1)SCc2ccccc2 62a_100000211182_200012349914 [0,1,0,0,0,0|3,0,0]=4 1173 B16R2.132 Brc1ncc(cn1)SCc2ccccc2 62a_200012349914_100015291786 [0,1,0,0,0,0|3,0,0]=4 1174 B16R2.132 Cc1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100000186775 [0,1,0,0,0,0|2,0,0]=3 1175 B16R2.132 Cc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000186775 [0,1,0,0,0,0|2,0,0]=3 1176 B16R2.132 Cc1ccc(cc1)C=Cc2ccccc2 271570a_100102527916_100000210277 [0,1,0,0,0,0|2,0,0]=3 1177 B16R2.132 Cc1ccc(cc1)C=Cc2ccccn2 271570a_100102527916_100011216584 [0,1,0,0,0,0|3,0,0]=4 1178 B16R2.132 Cc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000186775 [0,1,0,0,0,0|3,0,0]=4 1179 B16R2.132 Cc1ccc(cc1)C=Cc2cccnc2 271570a_100102527916_100000752921 [0,1,0,0,0,0|3,0,0]=4 1180 B16R2.132 Cc1ccc(cc1)C=Cc2ccncc2 271570a_100102527916_100000035832 [0,1,0,0,0,0|3,0,0]=4 1181 B16R2.132 Cc1ccc(cc1)CNc2ccccc2 207a_100000106764_100000211033 [0,1,0,0,0,0|2,0,0]=3 1182 B16R2.132 Cc1ccc(cc1)CNc2ccccc2 270302a_100000106764_100000211033 [0,1,0,0,0,0|2,0,0]=3 1183 B16R2.132 Cc1ccc(cc1)CNc2ccccc2 34a_100000106764_100000210814 [0,1,0,0,0,0|2,0,0]=3 1184 B16R2.132 Cc1ccc(cc1)COc2ccccc2 34a_100000210340_100000210814 [0,1,0,0,0,0|1,1,0]=3 1185 B16R2.132 Cc1ccc(cc1)COc2ccccc2 7a_100000210340_100000210814 [0,1,0,0,0,0|1,1,0]=3 1186 B16R2.132 Cc1ccc(cc1)COc2cccnc2 34a_100000210849_100000210814 [0,1,0,0,0,0|2,1,0]=4 1187 B16R2.132 Cc1ccc(cc1)COc2cccnc2 7a_100000210849_100000210814 [0,1,0,0,0,0|2,1,0]=4 1188 B16R2.132 Cc1ccc(cc1)COc2ccncc2 34a_100000212176_100000210814 [0,1,0,0,0,0|2,1,0]=4 1189 B16R2.132 Cc1ccc(cc1)CSc2ccccc2 62a_100000210814_100000041952 [0,1,0,0,0,0|1,0,0]=2 1190 B16R2.132 Cc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000210814 [0,1,0,0,0,0|1,0,0]=2 1191 B16R2.132 Cc1ccc(cc1)CSc2ccccn2 62a_100000210814_100011216584 [0,1,0,0,0,0|2,0,0]=3 1192 B16R2.132 Cc1ccc(cc1)CSc2ccccn2 62a_100011216584_100000210814 [0,1,0,0,0,0|2,0,0]=3 1193 B16R2.132 Cc1ccc(cc1)CSc2cccnc2 62a_100000210063_100000210814 [0,1,0,0,0,0|2,0,0]=3 1194 B16R2.132 Cc1ccc(cc1)CSc2cccnc2 62a_100000210814_100000210063 [0,1,0,0,0,0|2,0,0]=3 1195 B16R2.132 Cc1ccc(cc1)CSc2cccnn2 62a_100000210814_100016991348 [0,1,0,0,0,0|3,0,0]=4 1196 B16R2.132 Cc1ccc(cc1)CSc2cccnn2 62a_100016991348_100000210814 [0,1,0,0,0,0|3,0,0]=4 1197 B16R2.132 Cc1ccc(cc1)CSc2ccncc2 62a_100000210814_100000728582 [0,1,0,0,0,0|2,0,0]=3 1198 B16R2.132 Cc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000210814 [0,1,0,0,0,0|2,0,0]=3 1199 B16R2.132 Cc1ccc(cc1)CSc2ccncn2 62a_100000210814_100000703185 [0,1,0,0,0,0|3,0,0]=4 1200 B16R2.132 Cc1ccc(cc1)CSc2ccncn2 62a_100000703185_100000210814 [0,1,0,0,0,0|3,0,0]=4 1201 B16R2.132 Cc1ccc(cc1)CSc2ccnnc2 62a_100000210814_100000732662 [0,1,0,0,0,0|3,0,0]=4 1202 B16R2.132 Cc1ccc(cc1)CSc2ccnnc2 62a_100000732662_100000210814 [0,1,0,0,0,0|3,0,0]=4 1203 B16R2.132 Cc1ccc(cc1)CSc2cnccn2 62a_100000210814_100000211759 [0,1,0,0,0,0|3,0,0]=4 1204 B16R2.132 Cc1ccc(cc1)CSc2cnccn2 62a_100000211759_100000210814 [0,1,0,0,0,0|3,0,0]=4 1205 B16R2.132 Cc1ccc(cc1)CSc2cncnc2 62a_100000210814_100011206942 [0,1,0,0,0,0|3,0,0]=4 1206 B16R2.132 Cc1ccc(cc1)CSc2cncnc2 62a_100011206942_100000210814 [0,1,0,0,0,0|3,0,0]=4 1207 B16R2.132 Cc1ccc(cc1)CSc2ncccn2 62a_100000210814_100000211032 [0,1,0,0,0,0|3,0,0]=4 1208 B16R2.132 Cc1ccc(cc1)CSc2ncccn2 62a_100000211032_100000210814 [0,1,0,0,0,0|3,0,0]=4 1209 B16R2.132 Cc1ccc(cc1)NCc2ccccc2 207a_100000124888_100015611070 [0,1,0,0,0,0|2,0,0]=3 1210 B16R2.132 Cc1ccc(cc1)NCc2ccccc2 270302a_100000124888_100015611070 [0,1,0,0,0,0|2,0,0]=3 1211 B16R2.132 Cc1ccc(cc1)NCc2ccccc2 34a_100000124888_100015291786 [0,1,0,0,0,0|2,0,0]=3 1212 B16R2.132 Cc1ccc(cc1)NCc2ccccn2 207a_100000124888_100000209966 [0,1,0,0,0,0|3,0,0]=4 1213 B16R2.132 Cc1ccc(cc1)NCc2ccccn2 270302a_100000124888_100000209966 [0,1,0,0,0,0|3,0,0]=4 1214 B16R2.132 Cc1ccc(cc1)NCc2ccccn2 34a_100000124888_100000721315 [0,1,0,0,0,0|3,0,0]=4 1215 B16R2.132 Cc1ccc(cc1)NCc2cccnc2 207a_100000124888_100000209961 [0,1,0,0,0,0|3,0,0]=4 1216 B16R2.132 Cc1ccc(cc1)NCc2cccnc2 270302a_100000124888_100000209961 [0,1,0,0,0,0|3,0,0]=4 1217 B16R2.132 Cc1ccc(cc1)NCc2cccnc2 34a_100000124888_100000733263 [0,1,0,0,0,0|3,0,0]=4 1218 B16R2.132 Cc1ccc(cc1)NCc2ccncc2 207a_100000124888_100000186114 [0,1,0,0,0,0|3,0,0]=4 1219 B16R2.132 Cc1ccc(cc1)OCc2ccccc2 34a_100000210336_100015291786 [0,1,0,0,0,0|1,1,0]=3 1220 B16R2.132 Cc1ccc(cc1)OCc2ccccc2 7a_100000210336_100000211182 [0,1,0,0,0,0|1,1,0]=3 1221 B16R2.132 Cc1ccc(cc1)OCc2ccccn2 34a_100000210336_100000721315 [0,1,0,0,0,0|2,1,0]=4 1222 B16R2.132 Cc1ccc(cc1)OCc2ccccn2 7a_100000210336_100000721315 [0,1,0,0,0,0|2,1,0]=4 1223 B16R2.132 Cc1ccc(cc1)OCc2cccnc2 34a_100000210336_100000733263 [0,1,0,0,0,0|2,1,0]=4 1224 B16R2.132 Cc1ccc(cc1)OCc2cccnc2 7a_100000210336_100000741622 [0,1,0,0,0,0|2,1,0]=4 1225 B16R2.132 Cc1ccc(cc1)OCc2ccncc2 7a_100000210336_100015193705 [0,1,0,0,0,0|2,1,0]=4 1226 B16R2.132 Cc1ccc(cc1)SCc2ccccc2 62a_100000186775_100015291786 [0,1,0,0,0,0|1,0,0]=2 1227 B16R2.132 Cc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000186775 [0,1,0,0,0,0|1,0,0]=2 1228 B16R2.132 Cc1ccc(cc1)SCc2ccccn2 62a_100000186775_100000721315 [0,1,0,0,0,0|2,0,0]=3 1229 B16R2.132 Cc1ccc(cc1)SCc2ccccn2 62a_100000721315_100000186775 [0,1,0,0,0,0|2,0,0]=3 1230 B16R2.132 Cc1ccc(cc1)SCc2cccnc2 62a_100000186775_100000741622 [0,1,0,0,0,0|2,0,0]=3 1231 B16R2.132 Cc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000186775 [0,1,0,0,0,0|2,0,0]=3 1232 B16R2.132 Cc1ccc(cc1)SCc2cccnn2 62a_100000186775_100016990269 [0,1,0,0,0,0|3,0,0]=4 1233 B16R2.132 Cc1ccc(cc1)SCc2cccnn2 62a_100016990269_100000186775 [0,1,0,0,0,0|3,0,0]=4 1234 B16R2.132 Cc1ccc(cc1)SCc2ccncc2 62a_100000186775_100015193705 [0,1,0,0,0,0|2,0,0]=3 1235 B16R2.132 Cc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000186775 [0,1,0,0,0,0|2,0,0]=3 1236 B16R2.132 Cc1ccc(cc1)SCc2cnccn2 62a_100000186775_100016995436 [0,1,0,0,0,0|3,0,0]=4 1237 B16R2.132 Cc1ccc(cc1)SCc2cnccn2 62a_100016995436_100000186775 [0,1,0,0,0,0|3,0,0]=4 1238 B16R2.132 Cc1ccc(cc1)SCc2cncnc2 62a_100000186775_100015196519 [0,1,0,0,0,0|3,0,0]=4 1239 B16R2.132 Cc1ccc(cc1)SCc2cncnc2 62a_100015196519_100000186775 [0,1,0,0,0,0|3,0,0]=4 1240 B16R2.132 Cc1ccc(cc1)SCc2ncccn2 62a_100000186775_100000703007 [0,1,0,0,0,0|3,0,0]=4 1241 B16R2.132 Cc1ccc(cc1)SCc2ncccn2 62a_100000703007_100000186775 [0,1,0,0,0,0|3,0,0]=4 1242 B16R2.132 Cc1ccc(cn1)C#Cc2ccccc2 271570a_100000069678_100000751577 [0,1,0,0,0,0|3,0,0]=4 1243 B16R2.132 Cc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100000751577 [0,1,0,0,0,0|3,0,0]=4 1244 B16R2.132 Cc1ccc(cn1)CNc2ccccc2 270302a_100000106764_100000743784 [0,1,0,0,0,0|3,0,0]=4 1245 B16R2.132 Cc1ccc(cn1)CNc2ccccc2 34a_100000106764_100016987292 [0,1,0,0,0,0|3,0,0]=4 1246 B16R2.132 Cc1ccc(cn1)COc2ccccc2 34a_100000210340_100016987292 [0,1,0,0,0,0|2,1,0]=4 1247 B16R2.132 Cc1ccc(cn1)COc2ccccc2 7a_100000210340_100016987292 [0,1,0,0,0,0|2,1,0]=4 1248 B16R2.132 Cc1ccc(cn1)CSc2ccccc2 62a_100000719477_100016987292 [0,1,0,0,0,0|2,0,0]=3 1249 B16R2.132 Cc1ccc(cn1)CSc2ccccc2 62a_100016987292_100000041952 [0,1,0,0,0,0|2,0,0]=3 1250 B16R2.132 Cc1ccc(cn1)CSc2ccccn2 62a_100011216584_100016987292 [0,1,0,0,0,0|3,0,0]=4 1251 B16R2.132 Cc1ccc(cn1)CSc2ccccn2 62a_100016987292_100011216584 [0,1,0,0,0,0|3,0,0]=4 1252 B16R2.132 Cc1ccc(cn1)CSc2cccnc2 62a_100000210063_100016987292 [0,1,0,0,0,0|3,0,0]=4 1253 B16R2.132 Cc1ccc(cn1)CSc2cccnc2 62a_100016987292_100000210063 [0,1,0,0,0,0|3,0,0]=4 1254 B16R2.132 Cc1ccc(cn1)CSc2ccncc2 62a_100000728582_100016987292 [0,1,0,0,0,0|3,0,0]=4 1255 B16R2.132 Cc1ccc(cn1)CSc2ccncc2 62a_100016987292_100000728582 [0,1,0,0,0,0|3,0,0]=4 1256 B16R2.132 Cc1ccc(cn1)OCc2ccccc2 34a_100000745506_100015291786 [0,1,0,0,0,0|2,1,0]=4 1257 B16R2.132 Cc1ccc(cn1)OCc2ccccc2 7a_100000745506_100000211182 [0,1,0,0,0,0|2,1,0]=4 1258 B16R2.132 Cc1ccc(cn1)SCc2ccccc2 62a_100000211182_100000751577 [0,1,0,0,0,0|2,0,0]=3 1259 B16R2.132 Cc1ccc(cn1)SCc2ccccc2 62a_100000751577_100015291786 [0,1,0,0,0,0|2,0,0]=3 1260 B16R2.132 Cc1ccc(cn1)SCc2ccccn2 62a_100000721315_100000751577 [0,1,0,0,0,0|3,0,0]=4 1261 B16R2.132 Cc1ccc(cn1)SCc2ccccn2 62a_100000751577_100000721315 [0,1,0,0,0,0|3,0,0]=4 1262 B16R2.132 Cc1ccc(cn1)SCc2cccnc2 62a_100000741622_100000751577 [0,1,0,0,0,0|3,0,0]=4 1263 B16R2.132 Cc1ccc(cn1)SCc2cccnc2 62a_100000751577_100000741622 [0,1,0,0,0,0|3,0,0]=4 1264 B16R2.132 Cc1ccc(cn1)SCc2ccncc2 62a_100000751577_100015193705 [0,1,0,0,0,0|3,0,0]=4 1265 B16R2.132 Cc1ccc(cn1)SCc2ccncc2 62a_100015193705_100000751577 [0,1,0,0,0,0|3,0,0]=4 1266 B16R2.132 Cc1ccc(nc1)C#Cc2ccccc2 271570a_100000069678_100000754016 [0,1,0,0,0,0|3,0,0]=4 1267 B16R2.132 Cc1ccc(nc1)C=Cc2ccccc2 271570a_100102527694_100000754016 [0,1,0,0,0,0|3,0,0]=4 1268 B16R2.132 Cc1ccc(nc1)CNc2ccccc2 207a_100000106764_100000050478 [0,1,0,0,0,0|3,0,0]=4 1269 B16R2.132 Cc1ccc(nc1)CNc2ccccc2 34a_100000106764_100000691093 [0,1,0,0,0,0|3,0,0]=4 1270 B16R2.132 Cc1ccc(nc1)COc2ccccc2 34a_100000210340_100000691093 [0,1,0,0,0,0|2,1,0]=4 1271 B16R2.132 Cc1ccc(nc1)COc2ccccc2 7a_100000210340_100000691093 [0,1,0,0,0,0|2,1,0]=4 1272 B16R2.132 Cc1ccc(nc1)CSc2ccccc2 62a_100000691093_100000041952 [0,1,0,0,0,0|2,0,0]=3 1273 B16R2.132 Cc1ccc(nc1)CSc2ccccc2 62a_100000719477_100000691093 [0,1,0,0,0,0|2,0,0]=3 1274 B16R2.132 Cc1ccc(nc1)CSc2ccccn2 62a_100000691093_100011216584 [0,1,0,0,0,0|3,0,0]=4 1275 B16R2.132 Cc1ccc(nc1)CSc2ccccn2 62a_100011216584_100000691093 [0,1,0,0,0,0|3,0,0]=4 1276 B16R2.132 Cc1ccc(nc1)CSc2cccnc2 62a_100000210063_100000691093 [0,1,0,0,0,0|3,0,0]=4 1277 B16R2.132 Cc1ccc(nc1)CSc2cccnc2 62a_100000691093_100000210063 [0,1,0,0,0,0|3,0,0]=4 1278 B16R2.132 Cc1ccc(nc1)CSc2ccncc2 62a_100000691093_100000728582 [0,1,0,0,0,0|3,0,0]=4 1279 B16R2.132 Cc1ccc(nc1)CSc2ccncc2 62a_100000728582_100000691093 [0,1,0,0,0,0|3,0,0]=4 1280 B16R2.132 Cc1ccc(nc1)OCc2ccccc2 34a_100000759353_100015291786 [0,1,0,0,0,0|2,1,0]=4 1281 B16R2.132 Cc1ccc(nc1)SCc2ccccc2 62a_100000211182_100000754016 [0,1,0,0,0,0|2,0,0]=3 1282 B16R2.132 Cc1ccc(nc1)SCc2ccccc2 62a_100011192072_100015291786 [0,1,0,0,0,0|2,0,0]=3 1283 B16R2.132 Cc1ccc(nc1)SCc2ccccn2 62a_100000721315_100000754016 [0,1,0,0,0,0|3,0,0]=4 1284 B16R2.132 Cc1ccc(nc1)SCc2ccccn2 62a_100011192072_100000721315 [0,1,0,0,0,0|3,0,0]=4 1285 B16R2.132 Cc1ccc(nc1)SCc2cccnc2 62a_100000741622_100000754016 [0,1,0,0,0,0|3,0,0]=4 1286 B16R2.132 Cc1ccc(nc1)SCc2cccnc2 62a_100011192072_100000741622 [0,1,0,0,0,0|3,0,0]=4 1287 B16R2.132 Cc1ccc(nc1)SCc2ccncc2 62a_100011192072_100015193705 [0,1,0,0,0,0|3,0,0]=4 1288 B16R2.132 Cc1ccc(nc1)SCc2ccncc2 62a_100015193705_100000754016 [0,1,0,0,0,0|3,0,0]=4 1289 B16R2.132 Cc1ccc(nn1)SCc2ccccc2 62a_100000211182_100000744512 [0,1,0,0,0,0|3,0,0]=4 1290 B16R2.132 Cc1ccc(nn1)SCc2ccccc2 62a_100000744512_100015291786 [0,1,0,0,0,0|3,0,0]=4 1291 B16R2.132 Cc1cnc(cn1)CSc2ccccc2 62a_100000719477_100000752025 [0,1,0,0,0,0|3,0,0]=4 1292 B16R2.132 Cc1cnc(cn1)CSc2ccccc2 62a_100000752025_100000041952 [0,1,0,0,0,0|3,0,0]=4 1293 B16R2.132 Cc1cnc(cn1)SCc2ccccc2 62a_100000211182_100011999403 [0,1,0,0,0,0|3,0,0]=4 1294 B16R2.132 Cc1cnc(cn1)SCc2ccccc2 62a_100011999403_100015291786 [0,1,0,0,0,0|3,0,0]=4 1295 B16R2.132 Cc1cnc(nc1)CSc2ccccc2 62a_100000685645_100000041952 [0,1,0,0,0,0|3,0,0]=4 1296 B16R2.132 Cc1cnc(nc1)CSc2ccccc2 62a_100000719477_100000685645 [0,1,0,0,0,0|3,0,0]=4 1297 B16R2.132 Cc1cnc(nc1)SCc2ccccc2 62a_100000061069_100015291786 [0,1,0,0,0,0|3,0,0]=4 1298 B16R2.132 Cc1cnc(nc1)SCc2ccccc2 62a_100000211182_100000061069 [0,1,0,0,0,0|3,0,0]=4 1299 B16R2.132 Cc1ncc(cn1)SCc2ccccc2 62a_100000211182_100000686985 [0,1,0,0,0,0|3,0,0]=4 1300 B16R2.132 Cc1ncc(cn1)SCc2ccccc2 62a_100000686985_100015291786 [0,1,0,0,0,0|3,0,0]=4 1301 B16R2.132 Clc1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100000755918 [0,1,0,0,0,0|2,0,0]=3 1302 B16R2.132 Clc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000755918 [0,1,0,0,0,0|2,0,0]=3 1303 B16R2.132 Clc1ccc(cc1)C=Cc2ccccc2 271570a_100102527930_100000210277 [0,1,0,0,0,0|2,0,0]=3 1304 B16R2.132 Clc1ccc(cc1)C=Cc2ccccn2 271570a_100102527930_100011216584 [0,1,0,0,0,0|3,0,0]=4 1305 B16R2.132 Clc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000755918 [0,1,0,0,0,0|3,0,0]=4 1306 B16R2.132 Clc1ccc(cc1)C=Cc2cccnc2 271570a_100102527930_100000752921 [0,1,0,0,0,0|3,0,0]=4 1307 B16R2.132 Clc1ccc(cc1)C=Cc2ccncc2 271570a_100102527930_100000035832 [0,1,0,0,0,0|3,0,0]=4 1308 B16R2.132 Clc1ccc(cc1)CNc2ccccc2 207a_100000106764_100000189385 [0,1,0,0,0,0|2,0,0]=3 1309 B16R2.132 Clc1ccc(cc1)CNc2ccccc2 270302a_100000106764_100000189385 [0,1,0,0,0,0|2,0,0]=3 1310 B16R2.132 Clc1ccc(cc1)CNc2ccccc2 34a_100000106764_100000694040 [0,1,0,0,0,0|2,0,0]=3 1311 B16R2.132 Clc1ccc(cc1)COc2ccccc2 34a_100000210340_100000694040 [0,1,0,0,0,0|1,1,0]=3 1312 B16R2.132 Clc1ccc(cc1)COc2ccccc2 7a_100000210340_100000187161 [0,1,0,0,0,0|1,1,0]=3 1313 B16R2.132 Clc1ccc(cc1)COc2cccnc2 34a_100000210849_100000694040 [0,1,0,0,0,0|2,1,0]=4 1314 B16R2.132 Clc1ccc(cc1)COc2cccnc2 7a_100000210849_100000187161 [0,1,0,0,0,0|2,1,0]=4 1315 B16R2.132 Clc1ccc(cc1)COc2ccncc2 34a_100000212176_100000694040 [0,1,0,0,0,0|2,1,0]=4 1316 B16R2.132 Clc1ccc(cc1)CSc2ccccc2 62a_100000187161_100000041952 [0,1,0,0,0,0|1,0,0]=2 1317 B16R2.132 Clc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000187161 [0,1,0,0,0,0|1,0,0]=2 1318 B16R2.132 Clc1ccc(cc1)CSc2ccccn2 62a_100000187161_100011216584 [0,1,0,0,0,0|2,0,0]=3 1319 B16R2.132 Clc1ccc(cc1)CSc2ccccn2 62a_100011216584_100000187161 [0,1,0,0,0,0|2,0,0]=3 1320 B16R2.132 Clc1ccc(cc1)CSc2cccnc2 62a_100000187161_100000210063 [0,1,0,0,0,0|2,0,0]=3 1321 B16R2.132 Clc1ccc(cc1)CSc2cccnc2 62a_100000210063_100000187161 [0,1,0,0,0,0|2,0,0]=3 1322 B16R2.132 Clc1ccc(cc1)CSc2cccnn2 62a_100000187161_100016991348 [0,1,0,0,0,0|3,0,0]=4 1323 B16R2.132 Clc1ccc(cc1)CSc2cccnn2 62a_100016991348_100000187161 [0,1,0,0,0,0|3,0,0]=4 1324 B16R2.132 Clc1ccc(cc1)CSc2ccncc2 62a_100000187161_100000728582 [0,1,0,0,0,0|2,0,0]=3 1325 B16R2.132 Clc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000187161 [0,1,0,0,0,0|2,0,0]=3 1326 B16R2.132 Clc1ccc(cc1)CSc2ccncn2 62a_100000187161_100000703185 [0,1,0,0,0,0|3,0,0]=4 1327 B16R2.132 Clc1ccc(cc1)CSc2ccncn2 62a_100000703185_100000187161 [0,1,0,0,0,0|3,0,0]=4 1328 B16R2.132 Clc1ccc(cc1)CSc2ccnnc2 62a_100000187161_100000732662 [0,1,0,0,0,0|3,0,0]=4 1329 B16R2.132 Clc1ccc(cc1)CSc2ccnnc2 62a_100000732662_100000187161 [0,1,0,0,0,0|3,0,0]=4 1330 B16R2.132 Clc1ccc(cc1)CSc2cnccn2 62a_100000187161_100000211759 [0,1,0,0,0,0|3,0,0]=4 1331 B16R2.132 Clc1ccc(cc1)CSc2cnccn2 62a_100000211759_100000187161 [0,1,0,0,0,0|3,0,0]=4 1332 B16R2.132 Clc1ccc(cc1)CSc2cncnc2 62a_100000187161_100011206942 [0,1,0,0,0,0|3,0,0]=4 1333 B16R2.132 Clc1ccc(cc1)CSc2cncnc2 62a_100011206942_100000187161 [0,1,0,0,0,0|3,0,0]=4 1334 B16R2.132 Clc1ccc(cc1)CSc2ncccn2 62a_100000187161_100000211032 [0,1,0,0,0,0|3,0,0]=4 1335 B16R2.132 Clc1ccc(cc1)CSc2ncccn2 62a_100000211032_100000187161 [0,1,0,0,0,0|3,0,0]=4 1336 B16R2.132 Clc1ccc(cc1)NCc2ccccc2 207a_100000210052_100015611070 [0,1,0,0,0,0|2,0,0]=3 1337 B16R2.132 Clc1ccc(cc1)NCc2ccccc2 2230a_100000210052_100015291786 [0,1,0,0,0,0|2,0,0]=3 1338 B16R2.132 Clc1ccc(cc1)NCc2ccccc2 270302a_100000210052_100015611070 [0,1,0,0,0,0|2,0,0]=3 1339 B16R2.132 Clc1ccc(cc1)NCc2ccccc2 34a_100000210052_100015291786 [0,1,0,0,0,0|2,0,0]=3 1340 B16R2.132 Clc1ccc(cc1)NCc2ccccn2 207a_100000210052_100000209966 [0,1,0,0,0,0|3,0,0]=4 1341 B16R2.132 Clc1ccc(cc1)NCc2ccccn2 2230a_100000210052_100000721315 [0,1,0,0,0,0|3,0,0]=4 1342 B16R2.132 Clc1ccc(cc1)NCc2ccccn2 270302a_100000210052_100000209966 [0,1,0,0,0,0|3,0,0]=4 1343 B16R2.132 Clc1ccc(cc1)NCc2ccccn2 34a_100000210052_100000721315 [0,1,0,0,0,0|3,0,0]=4 1344 B16R2.132 Clc1ccc(cc1)NCc2cccnc2 207a_100000210052_100000209961 [0,1,0,0,0,0|3,0,0]=4 1345 B16R2.132 Clc1ccc(cc1)NCc2cccnc2 2230a_100000210052_100000741622 [0,1,0,0,0,0|3,0,0]=4 1346 B16R2.132 Clc1ccc(cc1)NCc2cccnc2 270302a_100000210052_100000209961 [0,1,0,0,0,0|3,0,0]=4 1347 B16R2.132 Clc1ccc(cc1)NCc2cccnc2 34a_100000210052_100000733263 [0,1,0,0,0,0|3,0,0]=4 1348 B16R2.132 Clc1ccc(cc1)NCc2ccncc2 207a_100000210052_100000186114 [0,1,0,0,0,0|3,0,0]=4 1349 B16R2.132 Clc1ccc(cc1)NCc2ccncc2 2230a_100000210052_100015193705 [0,1,0,0,0,0|3,0,0]=4 1350 B16R2.132 Clc1ccc(cc1)OCc2ccccc2 34a_100000210216_100015291786 [0,1,0,0,0,0|1,1,0]=3 1351 B16R2.132 Clc1ccc(cc1)OCc2ccccc2 7a_100000210216_100000211182 [0,1,0,0,0,0|1,1,0]=3 1352 B16R2.132 Clc1ccc(cc1)OCc2ccccn2 34a_100000210216_100000721315 [0,1,0,0,0,0|2,1,0]=4 1353 B16R2.132 Clc1ccc(cc1)OCc2ccccn2 7a_100000210216_100000721315 [0,1,0,0,0,0|2,1,0]=4 1354 B16R2.132 Clc1ccc(cc1)OCc2cccnc2 34a_100000210216_100000733263 [0,1,0,0,0,0|2,1,0]=4 1355 B16R2.132 Clc1ccc(cc1)OCc2cccnc2 7a_100000210216_100000741622 [0,1,0,0,0,0|2,1,0]=4 1356 B16R2.132 Clc1ccc(cc1)OCc2ccncc2 7a_100000210216_100015193705 [0,1,0,0,0,0|2,1,0]=4 1357 B16R2.132 Clc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000755918 [0,1,0,0,0,0|1,0,0]=2 1358 B16R2.132 Clc1ccc(cc1)SCc2ccccc2 62a_100000755918_100015291786 [0,1,0,0,0,0|1,0,0]=2 1359 B16R2.132 Clc1ccc(cc1)SCc2ccccn2 62a_100000721315_100000755918 [0,1,0,0,0,0|2,0,0]=3 1360 B16R2.132 Clc1ccc(cc1)SCc2ccccn2 62a_100000755918_100000721315 [0,1,0,0,0,0|2,0,0]=3 1361 B16R2.132 Clc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000755918 [0,1,0,0,0,0|2,0,0]=3 1362 B16R2.132 Clc1ccc(cc1)SCc2cccnc2 62a_100000755918_100000741622 [0,1,0,0,0,0|2,0,0]=3 1363 B16R2.132 Clc1ccc(cc1)SCc2cccnn2 62a_100000755918_100016990269 [0,1,0,0,0,0|3,0,0]=4 1364 B16R2.132 Clc1ccc(cc1)SCc2cccnn2 62a_100016990269_100000755918 [0,1,0,0,0,0|3,0,0]=4 1365 B16R2.132 Clc1ccc(cc1)SCc2ccncc2 62a_100000755918_100015193705 [0,1,0,0,0,0|2,0,0]=3 1366 B16R2.132 Clc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000755918 [0,1,0,0,0,0|2,0,0]=3 1367 B16R2.132 Clc1ccc(cc1)SCc2cnccn2 62a_100000755918_100016995436 [0,1,0,0,0,0|3,0,0]=4 1368 B16R2.132 Clc1ccc(cc1)SCc2cnccn2 62a_100016995436_100000755918 [0,1,0,0,0,0|3,0,0]=4 1369 B16R2.132 Clc1ccc(cc1)SCc2cncnc2 62a_100000755918_100015196519 [0,1,0,0,0,0|3,0,0]=4 1370 B16R2.132 Clc1ccc(cc1)SCc2cncnc2 62a_100015196519_100000755918 [0,1,0,0,0,0|3,0,0]=4 1371 B16R2.132 Clc1ccc(cc1)SCc2ncccn2 62a_100000703007_100000755918 [0,1,0,0,0,0|3,0,0]=4 1372 B16R2.132 Clc1ccc(cc1)SCc2ncccn2 62a_100000755918_100000703007 [0,1,0,0,0,0|3,0,0]=4 1373 B16R2.132 Clc1ccc(cn1)C#Cc2ccccc2 271570a_100000069678_100000034144 [0,1,0,0,0,0|3,0,0]=4 1374 B16R2.132 Clc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100000034144 [0,1,0,0,0,0|3,0,0]=4 1375 B16R2.132 Clc1ccc(cn1)CNc2ccccc2 270302a_100000106764_100000766901 [0,1,0,0,0,0|3,0,0]=4 1376 B16R2.132 Clc1ccc(cn1)CNc2ccccc2 34a_100000106764_100000735431 [0,1,0,0,0,0|3,0,0]=4 1377 B16R2.132 Clc1ccc(cn1)COc2ccccc2 34a_100000210340_100000735431 [0,1,0,0,0,0|2,1,0]=4 1378 B16R2.132 Clc1ccc(cn1)COc2ccccc2 7a_100000210340_100000735431 [0,1,0,0,0,0|2,1,0]=4 1379 B16R2.132 Clc1ccc(cn1)CSc2ccccc2 62a_100000719477_100000735431 [0,1,0,0,0,0|2,0,0]=3 1380 B16R2.132 Clc1ccc(cn1)CSc2ccccc2 62a_100000735431_100000041952 [0,1,0,0,0,0|2,0,0]=3 1381 B16R2.132 Clc1ccc(cn1)CSc2ccccn2 62a_100000735431_100011216584 [0,1,0,0,0,0|3,0,0]=4 1382 B16R2.132 Clc1ccc(cn1)CSc2ccccn2 62a_100011216584_100000735431 [0,1,0,0,0,0|3,0,0]=4 1383 B16R2.132 Clc1ccc(cn1)CSc2cccnc2 62a_100000210063_100000735431 [0,1,0,0,0,0|3,0,0]=4 1384 B16R2.132 Clc1ccc(cn1)CSc2cccnc2 62a_100000735431_100000210063 [0,1,0,0,0,0|3,0,0]=4 1385 B16R2.132 Clc1ccc(cn1)CSc2ccncc2 62a_100000728582_100000735431 [0,1,0,0,0,0|3,0,0]=4 1386 B16R2.132 Clc1ccc(cn1)CSc2ccncc2 62a_100000735431_100000728582 [0,1,0,0,0,0|3,0,0]=4 1387 B16R2.132 Clc1ccc(cn1)OCc2ccccc2 34a_100000744096_100015291786 [0,1,0,0,0,0|2,1,0]=4 1388 B16R2.132 Clc1ccc(cn1)OCc2ccccc2 7a_100000744096_100000211182 [0,1,0,0,0,0|2,1,0]=4 1389 B16R2.132 Clc1ccc(cn1)SCc2ccccc2 62a_100000034144_100015291786 [0,1,0,0,0,0|2,0,0]=3 1390 B16R2.132 Clc1ccc(cn1)SCc2ccccc2 62a_100000211182_100000034144 [0,1,0,0,0,0|2,0,0]=3 1391 B16R2.132 Clc1ccc(cn1)SCc2ccccn2 62a_100000034144_100000721315 [0,1,0,0,0,0|3,0,0]=4 1392 B16R2.132 Clc1ccc(cn1)SCc2ccccn2 62a_100000721315_100000034144 [0,1,0,0,0,0|3,0,0]=4 1393 B16R2.132 Clc1ccc(cn1)SCc2cccnc2 62a_100000034144_100000741622 [0,1,0,0,0,0|3,0,0]=4 1394 B16R2.132 Clc1ccc(cn1)SCc2cccnc2 62a_100000741622_100000034144 [0,1,0,0,0,0|3,0,0]=4 1395 B16R2.132 Clc1ccc(cn1)SCc2ccncc2 62a_100000034144_100015193705 [0,1,0,0,0,0|3,0,0]=4 1396 B16R2.132 Clc1ccc(cn1)SCc2ccncc2 62a_100015193705_100000034144 [0,1,0,0,0,0|3,0,0]=4 1397 B16R2.132 Clc1ccc(nc1)C#Cc2ccccc2 271570a_100000069678_100011356976 [0,1,0,0,0,0|3,0,0]=4 1398 B16R2.132 Clc1ccc(nc1)C=Cc2ccccc2 271570a_100102527694_100011356976 [0,1,0,0,0,0|3,0,0]=4 1399 B16R2.132 Clc1ccc(nc1)CNc2ccccc2 207a_100000106764_100011361569 [0,1,0,0,0,0|3,0,0]=4 1400 B16R2.132 Clc1ccc(nc1)CNc2ccccc2 270302a_100000106764_100011361569 [0,1,0,0,0,0|3,0,0]=4 1401 B16R2.132 Clc1ccc(nc1)CNc2ccccc2 34a_100000106764_100012066911 [0,1,0,0,0,0|3,0,0]=4 1402 B16R2.132 Clc1ccc(nc1)COc2ccccc2 34a_100000210340_100012066911 [0,1,0,0,0,0|2,1,0]=4 1403 B16R2.132 Clc1ccc(nc1)COc2ccccc2 7a_100000210340_100012066911 [0,1,0,0,0,0|2,1,0]=4 1404 B16R2.132 Clc1ccc(nc1)CSc2ccccc2 62a_100000719477_100000697101 [0,1,0,0,0,0|2,0,0]=3 1405 B16R2.132 Clc1ccc(nc1)CSc2ccccc2 62a_100012066911_100000041952 [0,1,0,0,0,0|2,0,0]=3 1406 B16R2.132 Clc1ccc(nc1)CSc2ccccn2 62a_100011216584_100000697101 [0,1,0,0,0,0|3,0,0]=4 1407 B16R2.132 Clc1ccc(nc1)CSc2ccccn2 62a_100012066911_100011216584 [0,1,0,0,0,0|3,0,0]=4 1408 B16R2.132 Clc1ccc(nc1)CSc2cccnc2 62a_100000210063_100000697101 [0,1,0,0,0,0|3,0,0]=4 1409 B16R2.132 Clc1ccc(nc1)CSc2cccnc2 62a_100012066911_100000210063 [0,1,0,0,0,0|3,0,0]=4 1410 B16R2.132 Clc1ccc(nc1)CSc2ccncc2 62a_100000728582_100000697101 [0,1,0,0,0,0|3,0,0]=4 1411 B16R2.132 Clc1ccc(nc1)CSc2ccncc2 62a_100012066911_100000728582 [0,1,0,0,0,0|3,0,0]=4 1412 B16R2.132 Clc1ccc(nc1)OCc2ccccc2 34a_100011215309_100015291786 [0,1,0,0,0,0|2,1,0]=4 1413 B16R2.132 Clc1ccc(nc1)SCc2ccccc2 62a_100000211182_100011356976 [0,1,0,0,0,0|2,0,0]=3 1414 B16R2.132 Clc1ccc(nc1)SCc2ccccc2 62a_100011356976_100015291786 [0,1,0,0,0,0|2,0,0]=3 1415 B16R2.132 Clc1ccc(nc1)SCc2ccccn2 62a_100000721315_100011356976 [0,1,0,0,0,0|3,0,0]=4 1416 B16R2.132 Clc1ccc(nc1)SCc2ccccn2 62a_100011356976_100000721315 [0,1,0,0,0,0|3,0,0]=4 1417 B16R2.132 Clc1ccc(nc1)SCc2cccnc2 62a_100000741622_100011356976 [0,1,0,0,0,0|3,0,0]=4 1418 B16R2.132 Clc1ccc(nc1)SCc2cccnc2 62a_100011356976_100000741622 [0,1,0,0,0,0|3,0,0]=4 1419 B16R2.132 Clc1ccc(nc1)SCc2ccncc2 62a_100011356976_100015193705 [0,1,0,0,0,0|3,0,0]=4 1420 B16R2.132 Clc1ccc(nc1)SCc2ccncc2 62a_100015193705_100011356976 [0,1,0,0,0,0|3,0,0]=4 1421 B16R2.132 Clc1ccc(nn1)CSc2ccccc2 62a_100000719477_100016992710 [0,1,0,0,0,0|3,0,0]=4 1422 B16R2.132 Clc1ccc(nn1)CSc2ccccc2 62a_100016992710_100000041952 [0,1,0,0,0,0|3,0,0]=4 1423 B16R2.132 Clc1ccc(nn1)SCc2ccccc2 62a_100000068654_100015291786 [0,1,0,0,0,0|3,0,0]=4 1424 B16R2.132 Clc1ccc(nn1)SCc2ccccc2 62a_100000211182_100000068654 [0,1,0,0,0,0|3,0,0]=4 1425 B16R2.132 Clc1cnc(cn1)SCc2ccccc2 62a_100000211182_100010214907 [0,1,0,0,0,0|3,0,0]=4 1426 B16R2.132 Clc1cnc(cn1)SCc2ccccc2 62a_100010214907_100015291786 [0,1,0,0,0,0|3,0,0]=4 1427 B16R2.132 Clc1cnc(nc1)SCc2ccccc2 62a_100000211182_100011356929 [0,1,0,0,0,0|3,0,0]=4 1428 B16R2.132 Clc1cnc(nc1)SCc2ccccc2 62a_100011356929_100015291786 [0,1,0,0,0,0|3,0,0]=4 1429 B16R2.132 Clc1ncc(cn1)SCc2ccccc2 62a_100000059775_100015291786 [0,1,0,0,0,0|3,0,0]=4 1430 B16R2.132 Clc1ncc(cn1)SCc2ccccc2 62a_100000211182_100000059775 [0,1,0,0,0,0|3,0,0]=4 1431 B16R2.132 Fc1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100000211213 [0,1,0,0,0,0|2,0,0]=3 1432 B16R2.132 Fc1ccc(cc1)C=Cc2ccccc2 271570a_100102525539_100000210277 [0,1,0,0,0,0|2,0,0]=3 1433 B16R2.132 Fc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000211213 [0,1,0,0,0,0|2,0,0]=3 1434 B16R2.132 Fc1ccc(cc1)C=Cc2ccccn2 271570a_100102525539_100011216584 [0,1,0,0,0,0|3,0,0]=4 1435 B16R2.132 Fc1ccc(cc1)C=Cc2cccnc2 271570a_100102525539_100000752921 [0,1,0,0,0,0|3,0,0]=4 1436 B16R2.132 Fc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000211213 [0,1,0,0,0,0|3,0,0]=4 1437 B16R2.132 Fc1ccc(cc1)C=Cc2ccncc2 271570a_100102525539_100000035832 [0,1,0,0,0,0|3,0,0]=4 1438 B16R2.132 Fc1ccc(cc1)CNc2ccccc2 207a_100000106764_100000210084 [0,1,0,0,0,0|2,0,0]=3 1439 B16R2.132 Fc1ccc(cc1)CNc2ccccc2 270302a_100000106764_100000210084 [0,1,0,0,0,0|2,0,0]=3 1440 B16R2.132 Fc1ccc(cc1)CNc2ccccc2 34a_100000106764_100000198546 [0,1,0,0,0,0|2,0,0]=3 1441 B16R2.132 Fc1ccc(cc1)COc2ccccc2 34a_100000210340_100000198546 [0,1,0,0,0,0|1,1,0]=3 1442 B16R2.132 Fc1ccc(cc1)COc2ccccc2 7a_100000210340_100000198546 [0,1,0,0,0,0|1,1,0]=3 1443 B16R2.132 Fc1ccc(cc1)COc2cccnc2 34a_100000210849_100000198546 [0,1,0,0,0,0|2,1,0]=4 1444 B16R2.132 Fc1ccc(cc1)COc2cccnc2 7a_100000210849_100000198546 [0,1,0,0,0,0|2,1,0]=4 1445 B16R2.132 Fc1ccc(cc1)COc2ccncc2 34a_100000212176_100000198546 [0,1,0,0,0,0|2,1,0]=4 1446 B16R2.132 Fc1ccc(cc1)CSc2ccccc2 62a_100000198546_100000041952 [0,1,0,0,0,0|1,0,0]=2 1447 B16R2.132 Fc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000187164 [0,1,0,0,0,0|1,0,0]=2 1448 B16R2.132 Fc1ccc(cc1)CSc2ccccn2 62a_100000198546_100011216584 [0,1,0,0,0,0|2,0,0]=3 1449 B16R2.132 Fc1ccc(cc1)CSc2ccccn2 62a_100011216584_100000187164 [0,1,0,0,0,0|2,0,0]=3 1450 B16R2.132 Fc1ccc(cc1)CSc2cccnc2 62a_100000198546_100000210063 [0,1,0,0,0,0|2,0,0]=3 1451 B16R2.132 Fc1ccc(cc1)CSc2cccnc2 62a_100000210063_100000187164 [0,1,0,0,0,0|2,0,0]=3 1452 B16R2.132 Fc1ccc(cc1)CSc2cccnn2 62a_100000198546_100016991348 [0,1,0,0,0,0|3,0,0]=4 1453 B16R2.132 Fc1ccc(cc1)CSc2cccnn2 62a_100016991348_100000187164 [0,1,0,0,0,0|3,0,0]=4 1454 B16R2.132 Fc1ccc(cc1)CSc2ccncc2 62a_100000198546_100000728582 [0,1,0,0,0,0|2,0,0]=3 1455 B16R2.132 Fc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000187164 [0,1,0,0,0,0|2,0,0]=3 1456 B16R2.132 Fc1ccc(cc1)CSc2ccncn2 62a_100000198546_100000703185 [0,1,0,0,0,0|3,0,0]=4 1457 B16R2.132 Fc1ccc(cc1)CSc2ccncn2 62a_100000703185_100000187164 [0,1,0,0,0,0|3,0,0]=4 1458 B16R2.132 Fc1ccc(cc1)CSc2ccnnc2 62a_100000198546_100000732662 [0,1,0,0,0,0|3,0,0]=4 1459 B16R2.132 Fc1ccc(cc1)CSc2ccnnc2 62a_100000732662_100000187164 [0,1,0,0,0,0|3,0,0]=4 1460 B16R2.132 Fc1ccc(cc1)CSc2cnccn2 62a_100000198546_100000211759 [0,1,0,0,0,0|3,0,0]=4 1461 B16R2.132 Fc1ccc(cc1)CSc2cnccn2 62a_100000211759_100000187164 [0,1,0,0,0,0|3,0,0]=4 1462 B16R2.132 Fc1ccc(cc1)CSc2cncnc2 62a_100000198546_100011206942 [0,1,0,0,0,0|3,0,0]=4 1463 B16R2.132 Fc1ccc(cc1)CSc2cncnc2 62a_100011206942_100000187164 [0,1,0,0,0,0|3,0,0]=4 1464 B16R2.132 Fc1ccc(cc1)CSc2ncccn2 62a_100000198546_100000211032 [0,1,0,0,0,0|3,0,0]=4 1465 B16R2.132 Fc1ccc(cc1)CSc2ncccn2 62a_100000211032_100000187164 [0,1,0,0,0,0|3,0,0]=4 1466 B16R2.132 Fc1ccc(cc1)NCc2ccccc2 207a_100000185862_100015611070 [0,1,0,0,0,0|2,0,0]=3 1467 B16R2.132 Fc1ccc(cc1)NCc2ccccc2 270302a_100000185862_100015611070 [0,1,0,0,0,0|2,0,0]=3 1468 B16R2.132 Fc1ccc(cc1)NCc2ccccc2 34a_100000185862_100015291786 [0,1,0,0,0,0|2,0,0]=3 1469 B16R2.132 Fc1ccc(cc1)NCc2ccccn2 207a_100000185862_100000209966 [0,1,0,0,0,0|3,0,0]=4 1470 B16R2.132 Fc1ccc(cc1)NCc2ccccn2 270302a_100000185862_100000209966 [0,1,0,0,0,0|3,0,0]=4 1471 B16R2.132 Fc1ccc(cc1)NCc2ccccn2 34a_100000185862_100000721315 [0,1,0,0,0,0|3,0,0]=4 1472 B16R2.132 Fc1ccc(cc1)NCc2cccnc2 207a_100000185862_100000209961 [0,1,0,0,0,0|3,0,0]=4 1473 B16R2.132 Fc1ccc(cc1)NCc2cccnc2 270302a_100000185862_100000209961 [0,1,0,0,0,0|3,0,0]=4 1474 B16R2.132 Fc1ccc(cc1)NCc2cccnc2 34a_100000185862_100000733263 [0,1,0,0,0,0|3,0,0]=4 1475 B16R2.132 Fc1ccc(cc1)NCc2ccncc2 207a_100000185862_100000186114 [0,1,0,0,0,0|3,0,0]=4 1476 B16R2.132 Fc1ccc(cc1)OCc2ccccc2 34a_100000210339_100015291786 [0,1,0,0,0,0|1,1,0]=3 1477 B16R2.132 Fc1ccc(cc1)OCc2ccccn2 34a_100000210339_100000721315 [0,1,0,0,0,0|2,1,0]=4 1478 B16R2.132 Fc1ccc(cc1)OCc2cccnc2 34a_100000210339_100000733263 [0,1,0,0,0,0|2,1,0]=4 1479 B16R2.132 Fc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000211213 [0,1,0,0,0,0|1,0,0]=2 1480 B16R2.132 Fc1ccc(cc1)SCc2ccccc2 62a_100000211213_100015291786 [0,1,0,0,0,0|1,0,0]=2 1481 B16R2.132 Fc1ccc(cc1)SCc2ccccn2 62a_100000211213_100000721315 [0,1,0,0,0,0|2,0,0]=3 1482 B16R2.132 Fc1ccc(cc1)SCc2ccccn2 62a_100000721315_100000211213 [0,1,0,0,0,0|2,0,0]=3 1483 B16R2.132 Fc1ccc(cc1)SCc2cccnc2 62a_100000211213_100000741622 [0,1,0,0,0,0|2,0,0]=3 1484 B16R2.132 Fc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000211213 [0,1,0,0,0,0|2,0,0]=3 1485 B16R2.132 Fc1ccc(cc1)SCc2cccnn2 62a_100000211213_100016990269 [0,1,0,0,0,0|3,0,0]=4 1486 B16R2.132 Fc1ccc(cc1)SCc2cccnn2 62a_100016990269_100000211213 [0,1,0,0,0,0|3,0,0]=4 1487 B16R2.132 Fc1ccc(cc1)SCc2ccncc2 62a_100000211213_100015193705 [0,1,0,0,0,0|2,0,0]=3 1488 B16R2.132 Fc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000211213 [0,1,0,0,0,0|2,0,0]=3 1489 B16R2.132 Fc1ccc(cc1)SCc2cnccn2 62a_100000211213_100016995436 [0,1,0,0,0,0|3,0,0]=4 1490 B16R2.132 Fc1ccc(cc1)SCc2cnccn2 62a_100016995436_100000211213 [0,1,0,0,0,0|3,0,0]=4 1491 B16R2.132 Fc1ccc(cc1)SCc2cncnc2 62a_100000211213_100015196519 [0,1,0,0,0,0|3,0,0]=4 1492 B16R2.132 Fc1ccc(cc1)SCc2cncnc2 62a_100015196519_100000211213 [0,1,0,0,0,0|3,0,0]=4 1493 B16R2.132 Fc1ccc(cc1)SCc2ncccn2 62a_100000211213_100000703007 [0,1,0,0,0,0|3,0,0]=4 1494 B16R2.132 Fc1ccc(cc1)SCc2ncccn2 62a_100000703007_100000211213 [0,1,0,0,0,0|3,0,0]=4 1495 B16R2.132 Fc1ccc(cn1)C#Cc2ccccc2 271570a_100000069678_100000748661 [0,1,0,0,0,0|3,0,0]=4 1496 B16R2.132 Fc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100000748661 [0,1,0,0,0,0|3,0,0]=4 1497 B16R2.132 Fc1ccc(cn1)CNc2ccccc2 270302a_100000106764_100000068566 [0,1,0,0,0,0|3,0,0]=4 1498 B16R2.132 Fc1ccc(cn1)CNc2ccccc2 34a_100000106764_100000099788 [0,1,0,0,0,0|3,0,0]=4 1499 B16R2.132 Fc1ccc(cn1)COc2ccccc2 34a_100000210340_100000099788 [0,1,0,0,0,0|2,1,0]=4 1500 B16R2.132 Fc1ccc(cn1)COc2ccccc2 7a_100000210340_100009820150 [0,1,0,0,0,0|2,1,0]=4 1501 B16R2.132 Fc1ccc(cn1)CSc2ccccc2 62a_100000719477_100000099788 [0,1,0,0,0,0|2,0,0]=3 1502 B16R2.132 Fc1ccc(cn1)CSc2ccccc2 62a_100009820150_100000041952 [0,1,0,0,0,0|2,0,0]=3 1503 B16R2.132 Fc1ccc(cn1)CSc2ccccn2 62a_100009820150_100011216584 [0,1,0,0,0,0|3,0,0]=4 1504 B16R2.132 Fc1ccc(cn1)CSc2ccccn2 62a_100011216584_100000099788 [0,1,0,0,0,0|3,0,0]=4 1505 B16R2.132 Fc1ccc(cn1)CSc2cccnc2 62a_100000210063_100000099788 [0,1,0,0,0,0|3,0,0]=4 1506 B16R2.132 Fc1ccc(cn1)CSc2cccnc2 62a_100009820150_100000210063 [0,1,0,0,0,0|3,0,0]=4 1507 B16R2.132 Fc1ccc(cn1)CSc2ccncc2 62a_100000728582_100000099788 [0,1,0,0,0,0|3,0,0]=4 1508 B16R2.132 Fc1ccc(cn1)CSc2ccncc2 62a_100009820150_100000728582 [0,1,0,0,0,0|3,0,0]=4 1509 B16R2.132 Fc1ccc(cn1)OCc2ccccc2 34a_100000688820_100015291786 [0,1,0,0,0,0|2,1,0]=4 1510 B16R2.132 Fc1ccc(cn1)OCc2ccccc2 7a_100000688820_100000211182 [0,1,0,0,0,0|2,1,0]=4 1511 B16R2.132 Fc1ccc(cn1)SCc2ccccc2 62a_100000042367_100015291786 [0,1,0,0,0,0|2,0,0]=3 1512 B16R2.132 Fc1ccc(cn1)SCc2ccccc2 62a_100000211182_100000042367 [0,1,0,0,0,0|2,0,0]=3 1513 B16R2.132 Fc1ccc(cn1)SCc2ccccn2 62a_100000042367_100000721315 [0,1,0,0,0,0|3,0,0]=4 1514 B16R2.132 Fc1ccc(cn1)SCc2ccccn2 62a_100000721315_100000042367 [0,1,0,0,0,0|3,0,0]=4 1515 B16R2.132 Fc1ccc(cn1)SCc2cccnc2 62a_100000042367_100000741622 [0,1,0,0,0,0|3,0,0]=4 1516 B16R2.132 Fc1ccc(cn1)SCc2cccnc2 62a_100000741622_100000042367 [0,1,0,0,0,0|3,0,0]=4 1517 B16R2.132 Fc1ccc(cn1)SCc2ccncc2 62a_100000042367_100015193705 [0,1,0,0,0,0|3,0,0]=4 1518 B16R2.132 Fc1ccc(cn1)SCc2ccncc2 62a_100015193705_100000042367 [0,1,0,0,0,0|3,0,0]=4 1519 B16R2.132 Fc1ccc(nc1)C#Cc2ccccc2 271570a_100000069678_100000744514 [0,1,0,0,0,0|3,0,0]=4 1520 B16R2.132 Fc1ccc(nc1)C=Cc2ccccc2 271570a_100102527694_100000744514 [0,1,0,0,0,0|3,0,0]=4 1521 B16R2.132 Fc1ccc(nc1)CNc2ccccc2 207a_100000106764_100011934744 [0,1,0,0,0,0|3,0,0]=4 1522 B16R2.132 Fc1ccc(nc1)CNc2ccccc2 34a_100000106764_100000703193 [0,1,0,0,0,0|3,0,0]=4 1523 B16R2.132 Fc1ccc(nc1)COc2ccccc2 34a_100000210340_100000703193 [0,1,0,0,0,0|2,1,0]=4 1524 B16R2.132 Fc1ccc(nc1)COc2ccccc2 7a_100000210340_100000703193 [0,1,0,0,0,0|2,1,0]=4 1525 B16R2.132 Fc1ccc(nc1)CSc2ccccc2 62a_100000703193_100000041952 [0,1,0,0,0,0|2,0,0]=3 1526 B16R2.132 Fc1ccc(nc1)CSc2ccccc2 62a_100000719477_100000703193 [0,1,0,0,0,0|2,0,0]=3 1527 B16R2.132 Fc1ccc(nc1)CSc2ccccn2 62a_100000703193_100011216584 [0,1,0,0,0,0|3,0,0]=4 1528 B16R2.132 Fc1ccc(nc1)CSc2ccccn2 62a_100011216584_100000703193 [0,1,0,0,0,0|3,0,0]=4 1529 B16R2.132 Fc1ccc(nc1)CSc2cccnc2 62a_100000210063_100000703193 [0,1,0,0,0,0|3,0,0]=4 1530 B16R2.132 Fc1ccc(nc1)CSc2cccnc2 62a_100000703193_100000210063 [0,1,0,0,0,0|3,0,0]=4 1531 B16R2.132 Fc1ccc(nc1)CSc2ccncc2 62a_100000703193_100000728582 [0,1,0,0,0,0|3,0,0]=4 1532 B16R2.132 Fc1ccc(nc1)CSc2ccncc2 62a_100000728582_100000703193 [0,1,0,0,0,0|3,0,0]=4 1533 B16R2.132 Fc1ccc(nc1)OCc2ccccc2 34a_100000742473_100015291786 [0,1,0,0,0,0|2,1,0]=4 1534 B16R2.132 Fc1ccc(nc1)SCc2ccccc2 62a_100000211182_100000744514 [0,1,0,0,0,0|2,0,0]=3 1535 B16R2.132 Fc1ccc(nc1)SCc2ccccc2 62a_100000744514_100015291786 [0,1,0,0,0,0|2,0,0]=3 1536 B16R2.132 Fc1ccc(nc1)SCc2ccccn2 62a_100000721315_100000744514 [0,1,0,0,0,0|3,0,0]=4 1537 B16R2.132 Fc1ccc(nc1)SCc2ccccn2 62a_100000744514_100000721315 [0,1,0,0,0,0|3,0,0]=4 1538 B16R2.132 Fc1ccc(nc1)SCc2cccnc2 62a_100000741622_100000744514 [0,1,0,0,0,0|3,0,0]=4 1539 B16R2.132 Fc1ccc(nc1)SCc2cccnc2 62a_100000744514_100000741622 [0,1,0,0,0,0|3,0,0]=4 1540 B16R2.132 Fc1ccc(nc1)SCc2ccncc2 62a_100000744514_100015193705 [0,1,0,0,0,0|3,0,0]=4 1541 B16R2.132 Fc1ccc(nc1)SCc2ccncc2 62a_100015193705_100000744514 [0,1,0,0,0,0|3,0,0]=4 1542 B16R2.132 Fc1cnc(cn1)SCc2ccccc2 62a_100000211182_100009856528 [0,1,0,0,0,0|3,0,0]=4 1543 B16R2.132 Fc1cnc(cn1)SCc2ccccc2 62a_100009856528_100015291786 [0,1,0,0,0,0|3,0,0]=4 1544 B16R2.132 Fc1cnc(nc1)SCc2ccccc2 62a_100000211182_100000685220 [0,1,0,0,0,0|3,0,0]=4 1545 B16R2.132 Fc1cnc(nc1)SCc2ccccc2 62a_100000685220_100015291786 [0,1,0,0,0,0|3,0,0]=4 1546 B16R2.132 Fc1ncc(cn1)SCc2ccccc2 62a_100000211182_100000685262 [0,1,0,0,0,0|3,0,0]=4 1547 B16R2.132 Fc1ncc(cn1)SCc2ccccc2 62a_100000685262_100015291786 [0,1,0,0,0,0|3,0,0]=4 1548 B16R2.132 Ic1ccc(cc1)CNc2ccccc2 207a_100000106764_100000188517 [0,1,0,0,0,0|2,0,0]=3 1549 B16R2.132 Ic1ccc(cc1)CNc2ccccc2 270302a_100000106764_100000188517 [0,1,0,0,0,0|2,0,0]=3 1550 B16R2.132 Ic1ccc(cc1)CNc2ccccc2 34a_100000106764_100000189116 [0,1,0,0,0,0|2,0,0]=3 1551 B16R2.132 Ic1ccc(cc1)COc2ccccc2 34a_100000210340_100000189116 [0,1,0,0,0,0|1,1,0]=3 1552 B16R2.132 Ic1ccc(cc1)COc2ccccc2 7a_100000210340_100000189116 [0,1,0,0,0,0|1,1,0]=3 1553 B16R2.132 Ic1ccc(cc1)COc2cccnc2 34a_100000210849_100000189116 [0,1,0,0,0,0|2,1,0]=4 1554 B16R2.132 Ic1ccc(cc1)COc2cccnc2 7a_100000210849_100000189116 [0,1,0,0,0,0|2,1,0]=4 1555 B16R2.132 Ic1ccc(cc1)COc2ccncc2 34a_100000212176_100000189116 [0,1,0,0,0,0|2,1,0]=4 1556 B16R2.132 Ic1ccc(cc1)CSc2ccccc2 62a_100000189116_100000041952 [0,1,0,0,0,0|1,0,0]=2 1557 B16R2.132 Ic1ccc(cc1)CSc2ccccc2 62a_100000719477_100000189116 [0,1,0,0,0,0|1,0,0]=2 1558 B16R2.132 Ic1ccc(cc1)CSc2ccccn2 62a_100000189116_100011216584 [0,1,0,0,0,0|2,0,0]=3 1559 B16R2.132 Ic1ccc(cc1)CSc2ccccn2 62a_100011216584_100000189116 [0,1,0,0,0,0|2,0,0]=3 1560 B16R2.132 Ic1ccc(cc1)CSc2cccnc2 62a_100000189116_100000210063 [0,1,0,0,0,0|2,0,0]=3 1561 B16R2.132 Ic1ccc(cc1)CSc2cccnc2 62a_100000210063_100000189116 [0,1,0,0,0,0|2,0,0]=3 1562 B16R2.132 Ic1ccc(cc1)CSc2cccnn2 62a_100000189116_100016991348 [0,1,0,0,0,0|3,0,0]=4 1563 B16R2.132 Ic1ccc(cc1)CSc2cccnn2 62a_100016991348_100000189116 [0,1,0,0,0,0|3,0,0]=4 1564 B16R2.132 Ic1ccc(cc1)CSc2ccncc2 62a_100000189116_100000728582 [0,1,0,0,0,0|2,0,0]=3 1565 B16R2.132 Ic1ccc(cc1)CSc2ccncc2 62a_100000728582_100000189116 [0,1,0,0,0,0|2,0,0]=3 1566 B16R2.132 Ic1ccc(cc1)CSc2ccncn2 62a_100000189116_100000703185 [0,1,0,0,0,0|3,0,0]=4 1567 B16R2.132 Ic1ccc(cc1)CSc2ccncn2 62a_100000703185_100000189116 [0,1,0,0,0,0|3,0,0]=4 1568 B16R2.132 Ic1ccc(cc1)CSc2ccnnc2 62a_100000189116_100000732662 [0,1,0,0,0,0|3,0,0]=4 1569 B16R2.132 Ic1ccc(cc1)CSc2ccnnc2 62a_100000732662_100000189116 [0,1,0,0,0,0|3,0,0]=4 1570 B16R2.132 Ic1ccc(cc1)CSc2cnccn2 62a_100000189116_100000211759 [0,1,0,0,0,0|3,0,0]=4 1571 B16R2.132 Ic1ccc(cc1)CSc2cnccn2 62a_100000211759_100000189116 [0,1,0,0,0,0|3,0,0]=4 1572 B16R2.132 Ic1ccc(cc1)CSc2cncnc2 62a_100000189116_100011206942 [0,1,0,0,0,0|3,0,0]=4 1573 B16R2.132 Ic1ccc(cc1)CSc2cncnc2 62a_100011206942_100000189116 [0,1,0,0,0,0|3,0,0]=4 1574 B16R2.132 Ic1ccc(cc1)CSc2ncccn2 62a_100000189116_100000211032 [0,1,0,0,0,0|3,0,0]=4 1575 B16R2.132 Ic1ccc(cc1)CSc2ncccn2 62a_100000211032_100000189116 [0,1,0,0,0,0|3,0,0]=4 1576 B16R2.132 Ic1ccc(cc1)NCc2ccccc2 207a_100000185761_100015611070 [0,1,0,0,0,0|2,0,0]=3 1577 B16R2.132 Ic1ccc(cc1)NCc2ccccc2 270302a_100000185761_100015611070 [0,1,0,0,0,0|2,0,0]=3 1578 B16R2.132 Ic1ccc(cc1)NCc2ccccc2 34a_100000185761_100015291786 [0,1,0,0,0,0|2,0,0]=3 1579 B16R2.132 Ic1ccc(cc1)NCc2ccccn2 207a_100000185761_100000209966 [0,1,0,0,0,0|3,0,0]=4 1580 B16R2.132 Ic1ccc(cc1)NCc2ccccn2 270302a_100000185761_100000209966 [0,1,0,0,0,0|3,0,0]=4 1581 B16R2.132 Ic1ccc(cc1)NCc2ccccn2 34a_100000185761_100000721315 [0,1,0,0,0,0|3,0,0]=4 1582 B16R2.132 Ic1ccc(cc1)NCc2cccnc2 207a_100000185761_100000209961 [0,1,0,0,0,0|3,0,0]=4 1583 B16R2.132 Ic1ccc(cc1)NCc2cccnc2 270302a_100000185761_100000209961 [0,1,0,0,0,0|3,0,0]=4 1584 B16R2.132 Ic1ccc(cc1)NCc2cccnc2 34a_100000185761_100000733263 [0,1,0,0,0,0|3,0,0]=4 1585 B16R2.132 Ic1ccc(cc1)NCc2ccncc2 207a_100000185761_100000186114 [0,1,0,0,0,0|3,0,0]=4 1586 B16R2.132 Ic1ccc(cc1)OCc2ccccc2 34a_100000212066_100015291786 [0,1,0,0,0,0|1,1,0]=3 1587 B16R2.132 Ic1ccc(cc1)OCc2ccccc2 7a_100000212066_100000211182 [0,1,0,0,0,0|1,1,0]=3 1588 B16R2.132 Ic1ccc(cc1)OCc2ccccn2 34a_100000212066_100000721315 [0,1,0,0,0,0|2,1,0]=4 1589 B16R2.132 Ic1ccc(cc1)OCc2ccccn2 7a_100000212066_100000721315 [0,1,0,0,0,0|2,1,0]=4 1590 B16R2.132 Ic1ccc(cc1)OCc2cccnc2 34a_100000212066_100000733263 [0,1,0,0,0,0|2,1,0]=4 1591 B16R2.132 Ic1ccc(cc1)OCc2cccnc2 7a_100000212066_100000741622 [0,1,0,0,0,0|2,1,0]=4 1592 B16R2.132 Ic1ccc(cc1)OCc2ccncc2 7a_100000212066_100015193705 [0,1,0,0,0,0|2,1,0]=4 1593 B16R2.132 Ic1ccc(cn1)OCc2ccccc2 34a_100000687607_100015291786 [0,1,0,0,0,0|2,1,0]=4 1594 B16R2.132 Ic1ccc(cn1)OCc2ccccc2 7a_100000687607_100000211182 [0,1,0,0,0,0|2,1,0]=4 1595 B16R2.132 Nc1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100000185761 [0,1,0,0,0,0|2,0,0]=3 1596 B16R2.132 Nc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000185761 [0,1,0,0,0,0|2,0,0]=3 1597 B16R2.132 Nc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000185761 [0,1,0,0,0,0|3,0,0]=4 1598 B16R2.132 Nc1ccc(cc1)OCc2ccccc2 34a_100000185829_100015291786 [0,1,0,0,0,0|1,1,0]=3 1599 B16R2.132 Nc1ccc(cc1)OCc2ccccn2 34a_100000185829_100000721315 [0,1,0,0,0,0|2,1,0]=4 1600 B16R2.132 Nc1ccc(cc1)OCc2cccnc2 34a_100000185829_100000733263 [0,1,0,0,0,0|2,1,0]=4 1601 B16R2.132 Nc1ccc(cc1)SCc2ccccc2 62a_100000185761_100015291786 [0,1,0,0,0,0|1,0,0]=2 1602 B16R2.132 Nc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000185761 [0,1,0,0,0,0|1,0,0]=2 1603 B16R2.132 Nc1ccc(cc1)SCc2ccccn2 62a_100000185761_100000721315 [0,1,0,0,0,0|2,0,0]=3 1604 B16R2.132 Nc1ccc(cc1)SCc2ccccn2 62a_100000721315_100000185761 [0,1,0,0,0,0|2,0,0]=3 1605 B16R2.132 Nc1ccc(cc1)SCc2cccnc2 62a_100000185761_100000741622 [0,1,0,0,0,0|2,0,0]=3 1606 B16R2.132 Nc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000185761 [0,1,0,0,0,0|2,0,0]=3 1607 B16R2.132 Nc1ccc(cc1)SCc2cccnn2 62a_100000185761_100016990269 [0,1,0,0,0,0|3,0,0]=4 1608 B16R2.132 Nc1ccc(cc1)SCc2cccnn2 62a_100016990269_100000185761 [0,1,0,0,0,0|3,0,0]=4 1609 B16R2.132 Nc1ccc(cc1)SCc2ccncc2 62a_100000185761_100015193705 [0,1,0,0,0,0|2,0,0]=3 1610 B16R2.132 Nc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000185761 [0,1,0,0,0,0|2,0,0]=3 1611 B16R2.132 Nc1ccc(cc1)SCc2cnccn2 62a_100000185761_100016995436 [0,1,0,0,0,0|3,0,0]=4 1612 B16R2.132 Nc1ccc(cc1)SCc2cnccn2 62a_100016995436_100000185761 [0,1,0,0,0,0|3,0,0]=4 1613 B16R2.132 Nc1ccc(cc1)SCc2cncnc2 62a_100000185761_100015196519 [0,1,0,0,0,0|3,0,0]=4 1614 B16R2.132 Nc1ccc(cc1)SCc2cncnc2 62a_100015196519_100000185761 [0,1,0,0,0,0|3,0,0]=4 1615 B16R2.132 Nc1ccc(cc1)SCc2ncccn2 62a_100000185761_100000703007 [0,1,0,0,0,0|3,0,0]=4 1616 B16R2.132 Nc1ccc(cc1)SCc2ncccn2 62a_100000703007_100000185761 [0,1,0,0,0,0|3,0,0]=4 1617 B16R2.132 Nc1ccc(cn1)C#Cc2ccccc2 271570a_100000069678_100000187370 [0,1,0,0,0,0|3,0,0]=4 1618 B16R2.132 Nc1ccc(cn1)C=Cc2ccccc2 271570a_100102527694_100000187370 [0,1,0,0,0,0|3,0,0]=4 1619 B16R2.132 Nc1ccc(cn1)OCc2ccccc2 34a_100015188713_100015291786 [0,1,0,0,0,0|2,1,0]=4 1620 B16R2.132 Nc1ccc(cn1)OCc2ccccc2 7a_100015188713_100000211182 [0,1,0,0,0,0|2,1,0]=4 1621 B16R2.132 Nc1ccc(cn1)SCc2ccccc2 62a_100000187370_100015291786 [0,1,0,0,0,0|2,0,0]=3 1622 B16R2.132 Nc1ccc(cn1)SCc2ccccc2 62a_100000211182_100000187370 [0,1,0,0,0,0|2,0,0]=3 1623 B16R2.132 Nc1ccc(cn1)SCc2ccccn2 62a_100000187370_100000721315 [0,1,0,0,0,0|3,0,0]=4 1624 B16R2.132 Nc1ccc(cn1)SCc2ccccn2 62a_100000721315_100000187370 [0,1,0,0,0,0|3,0,0]=4 1625 B16R2.132 Nc1ccc(cn1)SCc2cccnc2 62a_100000187370_100000741622 [0,1,0,0,0,0|3,0,0]=4 1626 B16R2.132 Nc1ccc(cn1)SCc2cccnc2 62a_100000741622_100000187370 [0,1,0,0,0,0|3,0,0]=4 1627 B16R2.132 Nc1ccc(cn1)SCc2ccncc2 62a_100000187370_100015193705 [0,1,0,0,0,0|3,0,0]=4 1628 B16R2.132 Nc1ccc(cn1)SCc2ccncc2 62a_100015193705_100000187370 [0,1,0,0,0,0|3,0,0]=4 1629 B16R2.132 Nc1ccc(nc1)C#Cc2ccccc2 271570a_100000069678_100000744251 [0,1,0,0,0,0|3,0,0]=4 1630 B16R2.132 Nc1ccc(nc1)C=Cc2ccccc2 271570a_100102527694_100000744251 [0,1,0,0,0,0|3,0,0]=4 1631 B16R2.132 Nc1ccc(nc1)OCc2ccccc2 34a_100000729260_100015291786 [0,1,0,0,0,0|2,1,0]=4 1632 B16R2.132 Nc1ccc(nc1)SCc2ccccc2 62a_100000211182_100000737798 [0,1,0,0,0,0|2,0,0]=3 1633 B16R2.132 Nc1ccc(nc1)SCc2ccccc2 62a_100000737798_100015291786 [0,1,0,0,0,0|2,0,0]=3 1634 B16R2.132 Nc1ccc(nc1)SCc2ccccn2 62a_100000721315_100000737798 [0,1,0,0,0,0|3,0,0]=4 1635 B16R2.132 Nc1ccc(nc1)SCc2ccccn2 62a_100000737798_100000721315 [0,1,0,0,0,0|3,0,0]=4 1636 B16R2.132 Nc1ccc(nc1)SCc2cccnc2 62a_100000737798_100000741622 [0,1,0,0,0,0|3,0,0]=4 1637 B16R2.132 Nc1ccc(nc1)SCc2cccnc2 62a_100000741622_100000737798 [0,1,0,0,0,0|3,0,0]=4 1638 B16R2.132 Nc1ccc(nc1)SCc2ccncc2 62a_100000737798_100015193705 [0,1,0,0,0,0|3,0,0]=4 1639 B16R2.132 Nc1ccc(nc1)SCc2ccncc2 62a_100015193705_100000737798 [0,1,0,0,0,0|3,0,0]=4 1640 B16R2.132 Nc1ccc(nn1)SCc2ccccc2 62a_100000211182_100010219413 [0,1,0,0,0,0|3,0,0]=4 1641 B16R2.132 Nc1ccc(nn1)SCc2ccccc2 62a_100010219413_100015291786 [0,1,0,0,0,0|3,0,0]=4 1642 B16R2.132 Nc1cnc(cn1)SCc2ccccc2 62a_100000211182_100000744751 [0,1,0,0,0,0|3,0,0]=4 1643 B16R2.132 Nc1cnc(cn1)SCc2ccccc2 62a_100000744751_100015291786 [0,1,0,0,0,0|3,0,0]=4 1644 B16R2.132 Nc1cnc(nc1)SCc2ccccc2 62a_100000068403_100015291786 [0,1,0,0,0,0|3,0,0]=4 1645 B16R2.132 Nc1cnc(nc1)SCc2ccccc2 62a_100000211182_100000068403 [0,1,0,0,0,0|3,0,0]=4 1646 B16R2.132 Nc1ncc(cn1)SCc2ccccc2 62a_100000211182_100000766020 [0,1,0,0,0,0|3,0,0]=4 1647 B16R2.132 Nc1ncc(cn1)SCc2ccccc2 62a_100000766020_100015291786 [0,1,0,0,0,0|3,0,0]=4 1648 B16R2.132 O=c1ccc(c[nH]1)C#Cc2ccccc2 271570a_100000069678_100000212171 [0,1,0,0,0,0|3,0,0]=4 1649 B16R2.132 O=c1ccc(c[nH]1)C=Cc2ccccc2 271570a_100102527694_100000212171 [0,1,0,0,0,0|3,0,0]=4 1650 B16R2.132 O=c1ccc(c[nH]1)OCc2ccccc2 34a_100000075641_100015291786 [0,1,0,0,0,0|2,1,0]=4 1651 B16R2.132 O=c1ccc(c[nH]1)SCc2ccccc2 62a_100000211182_100000212171 [0,1,0,0,0,0|2,0,0]=3 1652 B16R2.132 O=c1ccc(c[nH]1)SCc2ccccc2 62a_100000212171_100015291786 [0,1,0,0,0,0|2,0,0]=3 1653 B16R2.132 O=c1ccc(c[nH]1)SCc2ccccn2 62a_100000212171_100000721315 [0,1,0,0,0,0|3,0,0]=4 1654 B16R2.132 O=c1ccc(c[nH]1)SCc2ccccn2 62a_100000721315_100000212171 [0,1,0,0,0,0|3,0,0]=4 1655 B16R2.132 O=c1ccc(c[nH]1)SCc2cccnc2 62a_100000212171_100000741622 [0,1,0,0,0,0|3,0,0]=4 1656 B16R2.132 O=c1ccc(c[nH]1)SCc2cccnc2 62a_100000741622_100000212171 [0,1,0,0,0,0|3,0,0]=4 1657 B16R2.132 O=c1ccc(c[nH]1)SCc2ccncc2 62a_100000212171_100015193705 [0,1,0,0,0,0|3,0,0]=4 1658 B16R2.132 O=c1ccc(c[nH]1)SCc2ccncc2 62a_100015193705_100000212171 [0,1,0,0,0,0|3,0,0]=4 1659 B16R2.132 O=c1ccc(n[nH]1)SCc2ccccc2 62a_100000211182_100009820020 [0,1,0,0,0,0|3,0,0]=4 1660 B16R2.132 O=c1ccc(n[nH]1)SCc2ccccc2 62a_100009820020_100015291786 [0,1,0,0,0,0|3,0,0]=4 1661 B16R2.132 O=c1ncc(c[nH]1)SCc2ccccc2 62a_100000211182_102495366499 [0,1,0,0,0,0|3,0,0]=4 1662 B16R2.132 O=c1ncc(c[nH]1)SCc2ccccc2 62a_102495366499_100015291786 [0,1,0,0,0,0|3,0,0]=4 1663 B16R2.132 Oc1ccc(cc1)/C=C/c2ccccc2 271570a_203496583355_100016990502 [0,1,0,0,0,0|2,0,0]=3 1664 B16R2.132 Oc1ccc(cc1)/N=N/c2ccccc2 271570a_203496583355_100029724385 [0,1,0,0,0,0|2,0,0]=3 1665 B16R2.132 Oc1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100000185759 [0,1,0,0,0,0|2,0,0]=3 1666 B16R2.132 Oc1ccc(cc1)C#Cc2ccccc2 271570a_203496583355_100010000412 [0,1,0,0,0,0|2,0,0]=3 1667 B16R2.132 Oc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000185759 [0,1,0,0,0,0|2,0,0]=3 1668 B16R2.132 Oc1ccc(cc1)C=Cc2cccnc2 271570a_100102525586_100000185759 [0,1,0,0,0,0|3,0,0]=4 1669 B16R2.132 Oc1ccc(cc1)NCc2ccccc2 270302a_100000185829_100015611070 [0,1,0,0,0,0|2,0,0]=3 1670 B16R2.132 Oc1ccc(cc1)NCc2ccccc2 271570a_203496583355_100000187040 [0,1,0,0,0,0|2,0,0]=3 1671 B16R2.132 Oc1ccc(cc1)NCc2ccccc2 34a_100000185829_100015291786 [0,1,0,0,0,0|2,0,0]=3 1672 B16R2.132 Oc1ccc(cc1)NCc2ccccn2 270302a_100000185829_100000209966 [0,1,0,0,0,0|3,0,0]=4 1673 B16R2.132 Oc1ccc(cc1)NCc2ccccn2 271570a_203496583355_100000238286 [0,1,0,0,0,0|3,0,0]=4 1674 B16R2.132 Oc1ccc(cc1)NCc2ccccn2 34a_100000185829_100000721315 [0,1,0,0,0,0|3,0,0]=4 1675 B16R2.132 Oc1ccc(cc1)NCc2cccnc2 270302a_100000185829_100000209961 [0,1,0,0,0,0|3,0,0]=4 1676 B16R2.132 Oc1ccc(cc1)NCc2cccnc2 271570a_203496583355_100000189165 [0,1,0,0,0,0|3,0,0]=4 1677 B16R2.132 Oc1ccc(cc1)NCc2cccnc2 34a_100000185829_100000733263 [0,1,0,0,0,0|3,0,0]=4 1678 B16R2.132 Oc1ccc(cc1)OCc2ccccc2 271570a_203496583355_100000151783 [0,1,0,0,0,0|1,1,0]=3 1679 B16R2.132 Oc1ccc(cc1)SCc2ccccc2 271570a_203496583355_100009811532 [0,1,0,0,0,0|1,0,0]=2 1680 B16R2.132 Oc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000185759 [0,1,0,0,0,0|1,0,0]=2 1681 B16R2.132 Oc1ccc(cc1)SCc2ccccn2 62a_100000721315_100000185759 [0,1,0,0,0,0|2,0,0]=3 1682 B16R2.132 Oc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000185759 [0,1,0,0,0,0|2,0,0]=3 1683 B16R2.132 Oc1ccc(cc1)SCc2cccnn2 62a_100016990269_100000185759 [0,1,0,0,0,0|3,0,0]=4 1684 B16R2.132 Oc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000185759 [0,1,0,0,0,0|2,0,0]=3 1685 B16R2.132 Oc1ccc(cc1)SCc2cnccn2 62a_100016995436_100000185759 [0,1,0,0,0,0|3,0,0]=4 1686 B16R2.132 Oc1ccc(cc1)SCc2cncnc2 62a_100015196519_100000185759 [0,1,0,0,0,0|3,0,0]=4 1687 B16R2.132 Oc1ccc(cc1)SCc2ncccn2 62a_100000703007_100000185759 [0,1,0,0,0,0|3,0,0]=4 1688 B16R2.132 Oc1ccc(cn1)CNc2ccccc2 207a_100000106764_100011361521 [0,1,0,0,0,0|3,0,0]=4 1689 B16R2.132 Oc1ccc(cn1)CNc2ccccc2 270302a_100000106764_100011361521 [0,1,0,0,0,0|3,0,0]=4 1690 B16R2.132 Oc1ccc(cn1)OCc2ccccc2 271570a_203496583355_200012361712 [0,1,0,0,0,0|2,1,0]=4 1691 B16R2.132 Oc1ccc(nc1)C#Cc2ccccc2 271570a_100000069678_100000685995 [0,1,0,0,0,0|3,0,0]=4 1692 B16R2.132 Oc1ccc(nc1)C=Cc2ccccc2 271570a_100102527694_100000685995 [0,1,0,0,0,0|3,0,0]=4 1693 B16R2.132 Oc1ccc(nc1)NCc2ccccc2 271570a_203496583355_200000239955 [0,1,0,0,0,0|3,0,0]=4 1694 B16R2.132 Oc1ccc(nc1)OCc2ccccc2 271570a_203496583355_100011465491 [0,1,0,0,0,0|2,1,0]=4 1695 B16R2.132 Oc1ccc(nc1)SCc2ccccc2 62a_100000211182_100000744096 [0,1,0,0,0,0|2,0,0]=3 1696 B16R2.132 Oc1ccc(nc1)SCc2ccccc2 62a_100000685995_100015291786 [0,1,0,0,0,0|2,0,0]=3 1697 B16R2.132 Oc1ccc(nc1)SCc2ccccn2 62a_100000685995_100000721315 [0,1,0,0,0,0|3,0,0]=4 1698 B16R2.132 Oc1ccc(nc1)SCc2ccccn2 62a_100000721315_100000744096 [0,1,0,0,0,0|3,0,0]=4 1699 B16R2.132 Oc1ccc(nc1)SCc2cccnc2 62a_100000685995_100000741622 [0,1,0,0,0,0|3,0,0]=4 1700 B16R2.132 Oc1ccc(nc1)SCc2cccnc2 62a_100000741622_100000744096 [0,1,0,0,0,0|3,0,0]=4 1701 B16R2.132 Oc1ccc(nc1)SCc2ccncc2 62a_100000685995_100015193705 [0,1,0,0,0,0|3,0,0]=4 1702 B16R2.132 Oc1ccc(nc1)SCc2ccncc2 62a_100015193705_100000744096 [0,1,0,0,0,0|3,0,0]=4 1703 B16R2.132 Oc1cnc(cn1)SCc2ccccc2 62a_100000211182_100015839800 [0,1,0,0,0,0|3,0,0]=4 1704 B16R2.132 Oc1cnc(cn1)SCc2ccccc2 62a_100011934580_100015291786 [0,1,0,0,0,0|3,0,0]=4 1705 B16R2.132 Oc1cnc(nc1)SCc2ccccc2 271570a_203496583355_200011939521 [0,1,0,0,0,0|3,0,0]=4 1706 B16R2.132 Oc1cnc(nc1)SCc2ccccc2 62a_100000211182_100000092845 [0,1,0,0,0,0|3,0,0]=4 1707 B16R2.132 Oc1cnc(nc1)SCc2ccccc2 62a_100000730009_100015291786 [0,1,0,0,0,0|3,0,0]=4 1708 B16R2.132 [O-][n+]1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100000039755 [0,1,0,0,0,0|3,0,0]=4 1709 B16R2.132 [O-][n+]1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000039755 [0,1,0,0,0,0|3,0,0]=4 1710 B16R2.132 [O-][n+]1ccc(cc1)SCc2ccccc2 62a_100000211182_100000039755 [0,1,0,0,0,0|2,0,0]=3 1711 B16R2.132 [O-][n+]1ccc(cc1)SCc2ccccn2 62a_100000721315_100000039755 [0,1,0,0,0,0|3,0,0]=4 1712 B16R2.132 [O-][n+]1ccc(cc1)SCc2cccnc2 62a_100000741622_100000039755 [0,1,0,0,0,0|3,0,0]=4 1713 B16R2.132 [O-][n+]1ccc(cc1)SCc2ccncc2 62a_100015193705_100000039755 [0,1,0,0,0,0|3,0,0]=4 1714 B16R2.252 Brc1cc(ccn1)C#Cc2ccccc2 271570a_100000069678_100009814637 [0,1,0,0,0,0|3,0,0]=4 1715 B16R2.252 Brc1cc(ccn1)C=Cc2ccccc2 271570a_100102527694_100009814637 [0,1,0,0,0,0|3,0,0]=4 1716 B16R2.252 Brc1cc(ccn1)CNc2ccccc2 34a_100000106764_100010243470 [0,1,0,0,0,0|3,0,0]=4 1717 B16R2.252 Brc1cc(ccn1)COc2ccccc2 34a_100000210340_100010243470 [0,1,0,0,0,0|2,1,0]=4 1718 B16R2.252 Brc1cc(ccn1)COc2ccccc2 7a_100000210340_100010254460 [0,1,0,0,0,0|2,1,0]=4 1719 B16R2.252 Brc1cc(ccn1)CSc2ccccc2 62a_100000719477_100010243470 [0,1,0,0,0,0|2,0,0]=3 1720 B16R2.252 Brc1cc(ccn1)CSc2ccccc2 62a_100010254460_100000041952 [0,1,0,0,0,0|2,0,0]=3 1721 B16R2.252 Brc1cc(ccn1)CSc2ccccn2 62a_100010254460_100011216584 [0,1,0,0,0,0|3,0,0]=4 1722 B16R2.252 Brc1cc(ccn1)CSc2ccccn2 62a_100011216584_100010243470 [0,1,0,0,0,0|3,0,0]=4 1723 B16R2.252 Brc1cc(ccn1)CSc2cccnc2 62a_100000210063_100010243470 [0,1,0,0,0,0|3,0,0]=4 1724 B16R2.252 Brc1cc(ccn1)CSc2cccnc2 62a_100010254460_100000210063 [0,1,0,0,0,0|3,0,0]=4 1725 B16R2.252 Brc1cc(ccn1)CSc2ccncc2 62a_100000728582_100010243470 [0,1,0,0,0,0|3,0,0]=4 1726 B16R2.252 Brc1cc(ccn1)CSc2ccncc2 62a_100010254460_100000728582 [0,1,0,0,0,0|3,0,0]=4 1727 B16R2.252 Brc1cc(ccn1)SCc2ccccc2 62a_100000211182_100009814637 [0,1,0,0,0,0|2,0,0]=3 1728 B16R2.252 Brc1cc(ccn1)SCc2ccccc2 62a_100009814637_100015291786 [0,1,0,0,0,0|2,0,0]=3 1729 B16R2.252 Brc1cc(ccn1)SCc2ccccn2 62a_100000721315_100009814637 [0,1,0,0,0,0|3,0,0]=4 1730 B16R2.252 Brc1cc(ccn1)SCc2ccccn2 62a_100009814637_100000721315 [0,1,0,0,0,0|3,0,0]=4 1731 B16R2.252 Brc1cc(ccn1)SCc2cccnc2 62a_100000741622_100009814637 [0,1,0,0,0,0|3,0,0]=4 1732 B16R2.252 Brc1cc(ccn1)SCc2cccnc2 62a_100009814637_100000741622 [0,1,0,0,0,0|3,0,0]=4 1733 B16R2.252 Brc1cc(ccn1)SCc2ccncc2 62a_100009814637_100015193705 [0,1,0,0,0,0|3,0,0]=4 1734 B16R2.252 Brc1cc(ccn1)SCc2ccncc2 62a_100015193705_100009814637 [0,1,0,0,0,0|3,0,0]=4 1735 B16R2.252 Brc1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100000691529 [0,1,0,0,0,0|2,0,0]=3 1736 B16R2.252 Brc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000691529 [0,1,0,0,0,0|2,0,0]=3 1737 B16R2.252 Brc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000691529 [0,1,0,0,0,0|3,0,0]=4 1738 B16R2.252 Brc1cccc(c1)CNc2ccccc2 207a_100000106764_100000210085 [0,1,0,0,0,0|2,0,0]=3 1739 B16R2.252 Brc1cccc(c1)CNc2ccccc2 270302a_100000106764_100000210085 [0,1,0,0,0,0|2,0,0]=3 1740 B16R2.252 Brc1cccc(c1)CNc2ccccc2 34a_100000106764_100000698116 [0,1,0,0,0,0|2,0,0]=3 1741 B16R2.252 Brc1cccc(c1)COc2ccccc2 34a_100000210340_100000698116 [0,1,0,0,0,0|1,1,0]=3 1742 B16R2.252 Brc1cccc(c1)COc2ccccc2 7a_100000210340_100000211773 [0,1,0,0,0,0|1,1,0]=3 1743 B16R2.252 Brc1cccc(c1)COc2cccnc2 34a_100000210849_100000698116 [0,1,0,0,0,0|2,1,0]=4 1744 B16R2.252 Brc1cccc(c1)COc2cccnc2 7a_100000210849_100000211773 [0,1,0,0,0,0|2,1,0]=4 1745 B16R2.252 Brc1cccc(c1)COc2ccncc2 34a_100000212176_100000698116 [0,1,0,0,0,0|2,1,0]=4 1746 B16R2.252 Brc1cccc(c1)CSc2ccccc2 62a_100000211773_100000041952 [0,1,0,0,0,0|1,0,0]=2 1747 B16R2.252 Brc1cccc(c1)CSc2ccccc2 62a_100000719477_100000211773 [0,1,0,0,0,0|1,0,0]=2 1748 B16R2.252 Brc1cccc(c1)CSc2ccccn2 62a_100000211773_100011216584 [0,1,0,0,0,0|2,0,0]=3 1749 B16R2.252 Brc1cccc(c1)CSc2ccccn2 62a_100011216584_100000211773 [0,1,0,0,0,0|2,0,0]=3 1750 B16R2.252 Brc1cccc(c1)CSc2cccnc2 62a_100000210063_100000211773 [0,1,0,0,0,0|2,0,0]=3 1751 B16R2.252 Brc1cccc(c1)CSc2cccnc2 62a_100000211773_100000210063 [0,1,0,0,0,0|2,0,0]=3 1752 B16R2.252 Brc1cccc(c1)CSc2cccnn2 62a_100000211773_100016991348 [0,1,0,0,0,0|3,0,0]=4 1753 B16R2.252 Brc1cccc(c1)CSc2cccnn2 62a_100016991348_100000211773 [0,1,0,0,0,0|3,0,0]=4 1754 B16R2.252 Brc1cccc(c1)CSc2ccncc2 62a_100000211773_100000728582 [0,1,0,0,0,0|2,0,0]=3 1755 B16R2.252 Brc1cccc(c1)CSc2ccncc2 62a_100000728582_100000211773 [0,1,0,0,0,0|2,0,0]=3 1756 B16R2.252 Brc1cccc(c1)CSc2ccncn2 62a_100000211773_100000703185 [0,1,0,0,0,0|3,0,0]=4 1757 B16R2.252 Brc1cccc(c1)CSc2ccncn2 62a_100000703185_100000211773 [0,1,0,0,0,0|3,0,0]=4 1758 B16R2.252 Brc1cccc(c1)CSc2ccnnc2 62a_100000211773_100000732662 [0,1,0,0,0,0|3,0,0]=4 1759 B16R2.252 Brc1cccc(c1)CSc2ccnnc2 62a_100000732662_100000211773 [0,1,0,0,0,0|3,0,0]=4 1760 B16R2.252 Brc1cccc(c1)CSc2cnccn2 62a_100000211759_100000211773 [0,1,0,0,0,0|3,0,0]=4 1761 B16R2.252 Brc1cccc(c1)CSc2cnccn2 62a_100000211773_100000211759 [0,1,0,0,0,0|3,0,0]=4 1762 B16R2.252 Brc1cccc(c1)CSc2cncnc2 62a_100000211773_100011206942 [0,1,0,0,0,0|3,0,0]=4 1763 B16R2.252 Brc1cccc(c1)CSc2cncnc2 62a_100011206942_100000211773 [0,1,0,0,0,0|3,0,0]=4 1764 B16R2.252 Brc1cccc(c1)CSc2ncccn2 62a_100000211032_100000211773 [0,1,0,0,0,0|3,0,0]=4 1765 B16R2.252 Brc1cccc(c1)CSc2ncccn2 62a_100000211773_100000211032 [0,1,0,0,0,0|3,0,0]=4 1766 B16R2.252 Brc1cccc(c1)NCc2ccccc2 207a_100000210019_100015611070 [0,1,0,0,0,0|2,0,0]=3 1767 B16R2.252 Brc1cccc(c1)NCc2ccccc2 270302a_100000210019_100015611070 [0,1,0,0,0,0|2,0,0]=3 1768 B16R2.252 Brc1cccc(c1)NCc2ccccc2 34a_100000210019_100015291786 [0,1,0,0,0,0|2,0,0]=3 1769 B16R2.252 Brc1cccc(c1)NCc2ccccn2 207a_100000210019_100000209966 [0,1,0,0,0,0|3,0,0]=4 1770 B16R2.252 Brc1cccc(c1)NCc2ccccn2 270302a_100000210019_100000209966 [0,1,0,0,0,0|3,0,0]=4 1771 B16R2.252 Brc1cccc(c1)NCc2ccccn2 34a_100000210019_100000721315 [0,1,0,0,0,0|3,0,0]=4 1772 B16R2.252 Brc1cccc(c1)NCc2cccnc2 207a_100000210019_100000209961 [0,1,0,0,0,0|3,0,0]=4 1773 B16R2.252 Brc1cccc(c1)NCc2cccnc2 270302a_100000210019_100000209961 [0,1,0,0,0,0|3,0,0]=4 1774 B16R2.252 Brc1cccc(c1)NCc2cccnc2 34a_100000210019_100000733263 [0,1,0,0,0,0|3,0,0]=4 1775 B16R2.252 Brc1cccc(c1)NCc2ccncc2 207a_100000210019_100000186114 [0,1,0,0,0,0|3,0,0]=4 1776 B16R2.252 Brc1cccc(c1)OCc2ccccc2 34a_100000210342_100015291786 [0,1,0,0,0,0|1,1,0]=3 1777 B16R2.252 Brc1cccc(c1)OCc2ccccc2 7a_100000210342_100000211182 [0,1,0,0,0,0|1,1,0]=3 1778 B16R2.252 Brc1cccc(c1)OCc2ccccn2 34a_100000210342_100000721315 [0,1,0,0,0,0|2,1,0]=4 1779 B16R2.252 Brc1cccc(c1)OCc2ccccn2 7a_100000210342_100000721315 [0,1,0,0,0,0|2,1,0]=4 1780 B16R2.252 Brc1cccc(c1)OCc2cccnc2 34a_100000210342_100000733263 [0,1,0,0,0,0|2,1,0]=4 1781 B16R2.252 Brc1cccc(c1)OCc2cccnc2 7a_100000210342_100000741622 [0,1,0,0,0,0|2,1,0]=4 1782 B16R2.252 Brc1cccc(c1)OCc2ccncc2 7a_100000210342_100015193705 [0,1,0,0,0,0|2,1,0]=4 1783 B16R2.252 Brc1cccc(c1)SCc2ccccc2 62a_100000211182_100000691529 [0,1,0,0,0,0|1,0,0]=2 1784 B16R2.252 Brc1cccc(c1)SCc2ccccc2 62a_100000691529_100015291786 [0,1,0,0,0,0|1,0,0]=2 1785 B16R2.252 Brc1cccc(c1)SCc2ccccn2 62a_100000691529_100000721315 [0,1,0,0,0,0|2,0,0]=3 1786 B16R2.252 Brc1cccc(c1)SCc2ccccn2 62a_100000721315_100000691529 [0,1,0,0,0,0|2,0,0]=3 1787 B16R2.252 Brc1cccc(c1)SCc2cccnc2 62a_100000691529_100000741622 [0,1,0,0,0,0|2,0,0]=3 1788 B16R2.252 Brc1cccc(c1)SCc2cccnc2 62a_100000741622_100000691529 [0,1,0,0,0,0|2,0,0]=3 1789 B16R2.252 Brc1cccc(c1)SCc2cccnn2 62a_100000691529_100016990269 [0,1,0,0,0,0|3,0,0]=4 1790 B16R2.252 Brc1cccc(c1)SCc2cccnn2 62a_100016990269_100000691529 [0,1,0,0,0,0|3,0,0]=4 1791 B16R2.252 Brc1cccc(c1)SCc2ccncc2 62a_100000691529_100015193705 [0,1,0,0,0,0|2,0,0]=3 1792 B16R2.252 Brc1cccc(c1)SCc2ccncc2 62a_100015193705_100000691529 [0,1,0,0,0,0|2,0,0]=3 1793 B16R2.252 Brc1cccc(c1)SCc2cnccn2 62a_100000691529_100016995436 [0,1,0,0,0,0|3,0,0]=4 1794 B16R2.252 Brc1cccc(c1)SCc2cnccn2 62a_100016995436_100000691529 [0,1,0,0,0,0|3,0,0]=4 1795 B16R2.252 Brc1cccc(c1)SCc2cncnc2 62a_100000691529_100015196519 [0,1,0,0,0,0|3,0,0]=4 1796 B16R2.252 Brc1cccc(c1)SCc2cncnc2 62a_100015196519_100000691529 [0,1,0,0,0,0|3,0,0]=4 1797 B16R2.252 Brc1cccc(c1)SCc2ncccn2 62a_100000691529_100000703007 [0,1,0,0,0,0|3,0,0]=4 1798 B16R2.252 Brc1cccc(c1)SCc2ncccn2 62a_100000703007_100000691529 [0,1,0,0,0,0|3,0,0]=4 1799 B16R2.252 Brc1cccc(n1)C#Cc2ccccc2 271570a_100000069678_100000684672 [0,1,0,0,0,0|3,0,0]=4 1800 B16R2.252 Brc1cccc(n1)C=Cc2ccccc2 271570a_100102527694_100000684672 [0,1,0,0,0,0|3,0,0]=4 1801 B16R2.252 Brc1cccc(n1)CNc2ccccc2 34a_100000106764_100009889011 [0,1,0,0,0,0|3,0,0]=4 1802 B16R2.252 Brc1cccc(n1)COc2ccccc2 34a_100000210340_100009889011 [0,1,0,0,0,0|2,1,0]=4 1803 B16R2.252 Brc1cccc(n1)COc2ccccc2 7a_100000210340_100009889011 [0,1,0,0,0,0|2,1,0]=4 1804 B16R2.252 Brc1cccc(n1)CSc2ccccc2 62a_100000719477_100009889011 [0,1,0,0,0,0|2,0,0]=3 1805 B16R2.252 Brc1cccc(n1)CSc2ccccc2 62a_100009889011_100000041952 [0,1,0,0,0,0|2,0,0]=3 1806 B16R2.252 Brc1cccc(n1)CSc2ccccn2 62a_100009889011_100011216584 [0,1,0,0,0,0|3,0,0]=4 1807 B16R2.252 Brc1cccc(n1)CSc2ccccn2 62a_100011216584_100009889011 [0,1,0,0,0,0|3,0,0]=4 1808 B16R2.252 Brc1cccc(n1)CSc2cccnc2 62a_100000210063_100009889011 [0,1,0,0,0,0|3,0,0]=4 1809 B16R2.252 Brc1cccc(n1)CSc2cccnc2 62a_100009889011_100000210063 [0,1,0,0,0,0|3,0,0]=4 1810 B16R2.252 Brc1cccc(n1)CSc2ccncc2 62a_100000728582_100009889011 [0,1,0,0,0,0|3,0,0]=4 1811 B16R2.252 Brc1cccc(n1)CSc2ccncc2 62a_100009889011_100000728582 [0,1,0,0,0,0|3,0,0]=4 1812 B16R2.252 Brc1cccc(n1)SCc2ccccc2 62a_100000211182_100000684672 [0,1,0,0,0,0|2,0,0]=3 1813 B16R2.252 Brc1cccc(n1)SCc2ccccc2 62a_100000684672_100015291786 [0,1,0,0,0,0|2,0,0]=3 1814 B16R2.252 Brc1cccc(n1)SCc2ccccn2 62a_100000684672_100000721315 [0,1,0,0,0,0|3,0,0]=4 1815 B16R2.252 Brc1cccc(n1)SCc2ccccn2 62a_100000721315_100000684672 [0,1,0,0,0,0|3,0,0]=4 1816 B16R2.252 Brc1cccc(n1)SCc2cccnc2 62a_100000684672_100000741622 [0,1,0,0,0,0|3,0,0]=4 1817 B16R2.252 Brc1cccc(n1)SCc2cccnc2 62a_100000741622_100000684672 [0,1,0,0,0,0|3,0,0]=4 1818 B16R2.252 Brc1cccc(n1)SCc2ccncc2 62a_100000684672_100015193705 [0,1,0,0,0,0|3,0,0]=4 1819 B16R2.252 Brc1cccc(n1)SCc2ccncc2 62a_100015193705_100000684672 [0,1,0,0,0,0|3,0,0]=4 1820 B16R2.252 Brc1ccnc(c1)CNc2ccccc2 34a_100000106764_100010173614 [0,1,0,0,0,0|3,0,0]=4 1821 B16R2.252 Brc1ccnc(c1)COc2ccccc2 34a_100000210340_100010173614 [0,1,0,0,0,0|2,1,0]=4 1822 B16R2.252 Brc1ccnc(c1)COc2ccccc2 7a_100000210340_100010173614 [0,1,0,0,0,0|2,1,0]=4 1823 B16R2.252 Brc1ccnc(c1)CSc2ccccc2 62a_100000719477_100010173614 [0,1,0,0,0,0|2,0,0]=3 1824 B16R2.252 Brc1ccnc(c1)CSc2ccccc2 62a_100010173614_100000041952 [0,1,0,0,0,0|2,0,0]=3 1825 B16R2.252 Brc1ccnc(c1)CSc2ccccn2 62a_100010173614_100011216584 [0,1,0,0,0,0|3,0,0]=4 1826 B16R2.252 Brc1ccnc(c1)CSc2ccccn2 62a_100011216584_100010173614 [0,1,0,0,0,0|3,0,0]=4 1827 B16R2.252 Brc1ccnc(c1)CSc2cccnc2 62a_100000210063_100010173614 [0,1,0,0,0,0|3,0,0]=4 1828 B16R2.252 Brc1ccnc(c1)CSc2cccnc2 62a_100010173614_100000210063 [0,1,0,0,0,0|3,0,0]=4 1829 B16R2.252 Brc1ccnc(c1)CSc2ccncc2 62a_100000728582_100010173614 [0,1,0,0,0,0|3,0,0]=4 1830 B16R2.252 Brc1ccnc(c1)CSc2ccncc2 62a_100010173614_100000728582 [0,1,0,0,0,0|3,0,0]=4 1831 B16R2.252 Brc1cncc(c1)C#Cc2ccccc2 271570a_100000069678_100000728054 [0,1,0,0,0,0|3,0,0]=4 1832 B16R2.252 Brc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100000728054 [0,1,0,0,0,0|3,0,0]=4 1833 B16R2.252 Brc1cncc(c1)CNc2ccccc2 207a_100000106764_100000687066 [0,1,0,0,0,0|3,0,0]=4 1834 B16R2.252 Brc1cncc(c1)CNc2ccccc2 270302a_100000106764_100000687066 [0,1,0,0,0,0|3,0,0]=4 1835 B16R2.252 Brc1cncc(c1)CNc2ccccc2 34a_100000106764_100000738771 [0,1,0,0,0,0|3,0,0]=4 1836 B16R2.252 Brc1cncc(c1)COc2ccccc2 34a_100000210340_100000738771 [0,1,0,0,0,0|2,1,0]=4 1837 B16R2.252 Brc1cncc(c1)COc2ccccc2 7a_100000210340_100000738771 [0,1,0,0,0,0|2,1,0]=4 1838 B16R2.252 Brc1cncc(c1)CSc2ccccc2 62a_100000719477_100000738771 [0,1,0,0,0,0|2,0,0]=3 1839 B16R2.252 Brc1cncc(c1)CSc2ccccc2 62a_100000738771_100000041952 [0,1,0,0,0,0|2,0,0]=3 1840 B16R2.252 Brc1cncc(c1)CSc2ccccn2 62a_100000738771_100011216584 [0,1,0,0,0,0|3,0,0]=4 1841 B16R2.252 Brc1cncc(c1)CSc2ccccn2 62a_100011216584_100000738771 [0,1,0,0,0,0|3,0,0]=4 1842 B16R2.252 Brc1cncc(c1)CSc2cccnc2 62a_100000210063_100000738771 [0,1,0,0,0,0|3,0,0]=4 1843 B16R2.252 Brc1cncc(c1)CSc2cccnc2 62a_100000738771_100000210063 [0,1,0,0,0,0|3,0,0]=4 1844 B16R2.252 Brc1cncc(c1)CSc2ccncc2 62a_100000728582_100000738771 [0,1,0,0,0,0|3,0,0]=4 1845 B16R2.252 Brc1cncc(c1)CSc2ccncc2 62a_100000738771_100000728582 [0,1,0,0,0,0|3,0,0]=4 1846 B16R2.252 Brc1cncc(c1)OCc2ccccc2 34a_100000754920_100015291786 [0,1,0,0,0,0|2,1,0]=4 1847 B16R2.252 Brc1cncc(c1)OCc2ccccc2 7a_100000754920_100000211182 [0,1,0,0,0,0|2,1,0]=4 1848 B16R2.252 Brc1cncc(c1)SCc2ccccc2 62a_100000211182_100000728054 [0,1,0,0,0,0|2,0,0]=3 1849 B16R2.252 Brc1cncc(c1)SCc2ccccc2 62a_100000728054_100015291786 [0,1,0,0,0,0|2,0,0]=3 1850 B16R2.252 Brc1cncc(c1)SCc2ccccn2 62a_100000721315_100000728054 [0,1,0,0,0,0|3,0,0]=4 1851 B16R2.252 Brc1cncc(c1)SCc2ccccn2 62a_100000728054_100000721315 [0,1,0,0,0,0|3,0,0]=4 1852 B16R2.252 Brc1cncc(c1)SCc2cccnc2 62a_100000728054_100000741622 [0,1,0,0,0,0|3,0,0]=4 1853 B16R2.252 Brc1cncc(c1)SCc2cccnc2 62a_100000741622_100000728054 [0,1,0,0,0,0|3,0,0]=4 1854 B16R2.252 Brc1cncc(c1)SCc2ccncc2 62a_100000728054_100015193705 [0,1,0,0,0,0|3,0,0]=4 1855 B16R2.252 Brc1cncc(c1)SCc2ccncc2 62a_100015193705_100000728054 [0,1,0,0,0,0|3,0,0]=4 1856 B16R2.252 C[n+]1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100009996589 [0,1,0,0,0,0|3,0,0]=4 1857 B16R2.252 C[n+]1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100009996589 [0,1,0,0,0,0|3,0,0]=4 1858 B16R2.252 C[n+]1cccc(c1)SCc2ccccc2 62a_100000211182_100009996589 [0,1,0,0,0,0|2,0,0]=3 1859 B16R2.252 C[n+]1cccc(c1)SCc2ccccc2 62a_100009996589_100015291786 [0,1,0,0,0,0|2,0,0]=3 1860 B16R2.252 C[n+]1cccc(c1)SCc2ccccn2 62a_100000721315_100009996589 [0,1,0,0,0,0|3,0,0]=4 1861 B16R2.252 C[n+]1cccc(c1)SCc2ccccn2 62a_100009996589_100000721315 [0,1,0,0,0,0|3,0,0]=4 1862 B16R2.252 C[n+]1cccc(c1)SCc2cccnc2 62a_100000741622_100009996589 [0,1,0,0,0,0|3,0,0]=4 1863 B16R2.252 C[n+]1cccc(c1)SCc2cccnc2 62a_100009996589_100000741622 [0,1,0,0,0,0|3,0,0]=4 1864 B16R2.252 C[n+]1cccc(c1)SCc2ccncc2 62a_100009996589_100015193705 [0,1,0,0,0,0|3,0,0]=4 1865 B16R2.252 C[n+]1cccc(c1)SCc2ccncc2 62a_100015193705_100009996589 [0,1,0,0,0,0|3,0,0]=4 1866 B16R2.252 Cc1cc(ccn1)C#Cc2ccccc2 271570a_100000069678_100000758586 [0,1,0,0,0,0|3,0,0]=4 1867 B16R2.252 Cc1cc(ccn1)C=Cc2ccccc2 271570a_100102527694_100000758586 [0,1,0,0,0,0|3,0,0]=4 1868 B16R2.252 Cc1cc(ccn1)CNc2ccccc2 207a_100000106764_100011361630 [0,1,0,0,0,0|3,0,0]=4 1869 B16R2.252 Cc1cc(ccn1)CNc2ccccc2 34a_100000106764_200020672517 [0,1,0,0,0,0|3,0,0]=4 1870 B16R2.252 Cc1cc(ccn1)COc2ccccc2 34a_100000210340_200020672517 [0,1,0,0,0,0|2,1,0]=4 1871 B16R2.252 Cc1cc(ccn1)COc2ccccc2 7a_100000210340_200020672517 [0,1,0,0,0,0|2,1,0]=4 1872 B16R2.252 Cc1cc(ccn1)CSc2ccccc2 62a_100000719477_200020672517 [0,1,0,0,0,0|2,0,0]=3 1873 B16R2.252 Cc1cc(ccn1)CSc2ccccc2 62a_200020672517_100000041952 [0,1,0,0,0,0|2,0,0]=3 1874 B16R2.252 Cc1cc(ccn1)CSc2ccccn2 62a_100011216584_200020672517 [0,1,0,0,0,0|3,0,0]=4 1875 B16R2.252 Cc1cc(ccn1)CSc2ccccn2 62a_200020672517_100011216584 [0,1,0,0,0,0|3,0,0]=4 1876 B16R2.252 Cc1cc(ccn1)CSc2cccnc2 62a_100000210063_200020672517 [0,1,0,0,0,0|3,0,0]=4 1877 B16R2.252 Cc1cc(ccn1)CSc2cccnc2 62a_200020672517_100000210063 [0,1,0,0,0,0|3,0,0]=4 1878 B16R2.252 Cc1cc(ccn1)CSc2ccncc2 62a_100000728582_200020672517 [0,1,0,0,0,0|3,0,0]=4 1879 B16R2.252 Cc1cc(ccn1)CSc2ccncc2 62a_200020672517_100000728582 [0,1,0,0,0,0|3,0,0]=4 1880 B16R2.252 Cc1cc(ccn1)NCc2ccccc2 27a_100015324214_100000758586 [0,1,0,0,0,0|3,0,0]=4 1881 B16R2.252 Cc1cc(ccn1)OCc2ccccc2 34a_100000688365_100015291786 [0,1,0,0,0,0|2,1,0]=4 1882 B16R2.252 Cc1cc(ccn1)SCc2ccccc2 62a_100000211182_100000758586 [0,1,0,0,0,0|2,0,0]=3 1883 B16R2.252 Cc1cc(ccn1)SCc2ccccc2 62a_100000758586_100015291786 [0,1,0,0,0,0|2,0,0]=3 1884 B16R2.252 Cc1cc(ccn1)SCc2ccccn2 62a_100000721315_100000758586 [0,1,0,0,0,0|3,0,0]=4 1885 B16R2.252 Cc1cc(ccn1)SCc2ccccn2 62a_100000758586_100000721315 [0,1,0,0,0,0|3,0,0]=4 1886 B16R2.252 Cc1cc(ccn1)SCc2cccnc2 62a_100000741622_100000758586 [0,1,0,0,0,0|3,0,0]=4 1887 B16R2.252 Cc1cc(ccn1)SCc2cccnc2 62a_100000758586_100000741622 [0,1,0,0,0,0|3,0,0]=4 1888 B16R2.252 Cc1cc(ccn1)SCc2ccncc2 62a_100000758586_100015193705 [0,1,0,0,0,0|3,0,0]=4 1889 B16R2.252 Cc1cc(ccn1)SCc2ccncc2 62a_100015193705_100000758586 [0,1,0,0,0,0|3,0,0]=4 1890 B16R2.252 Cc1cc(ncn1)SCc2ccccc2 62a_100000211182_100000744208 [0,1,0,0,0,0|3,0,0]=4 1891 B16R2.252 Cc1cc(ncn1)SCc2ccccc2 62a_100000744208_100015291786 [0,1,0,0,0,0|3,0,0]=4 1892 B16R2.252 Cc1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100011215228 [0,1,0,0,0,0|2,0,0]=3 1893 B16R2.252 Cc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100011215228 [0,1,0,0,0,0|2,0,0]=3 1894 B16R2.252 Cc1cccc(c1)C=Cc2ccccc2 271570a_200135466880_100000210277 [0,1,0,0,0,0|2,0,0]=3 1895 B16R2.252 Cc1cccc(c1)C=Cc2ccccn2 271570a_200135466880_100011216584 [0,1,0,0,0,0|3,0,0]=4 1896 B16R2.252 Cc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100011215228 [0,1,0,0,0,0|3,0,0]=4 1897 B16R2.252 Cc1cccc(c1)C=Cc2cccnc2 271570a_200135466880_100000752921 [0,1,0,0,0,0|3,0,0]=4 1898 B16R2.252 Cc1cccc(c1)C=Cc2ccncc2 271570a_200135466880_100000035832 [0,1,0,0,0,0|3,0,0]=4 1899 B16R2.252 Cc1cccc(c1)CNc2ccccc2 207a_100000106764_100000211157 [0,1,0,0,0,0|2,0,0]=3 1900 B16R2.252 Cc1cccc(c1)CNc2ccccc2 270302a_100000106764_100000211157 [0,1,0,0,0,0|2,0,0]=3 1901 B16R2.252 Cc1cccc(c1)CNc2ccccc2 34a_100000106764_100000211840 [0,1,0,0,0,0|2,0,0]=3 1902 B16R2.252 Cc1cccc(c1)COc2ccccc2 34a_100000210340_100000211840 [0,1,0,0,0,0|1,1,0]=3 1903 B16R2.252 Cc1cccc(c1)COc2ccccc2 7a_100000210340_100000211840 [0,1,0,0,0,0|1,1,0]=3 1904 B16R2.252 Cc1cccc(c1)COc2cccnc2 34a_100000210849_100000211840 [0,1,0,0,0,0|2,1,0]=4 1905 B16R2.252 Cc1cccc(c1)COc2cccnc2 7a_100000210849_100000211840 [0,1,0,0,0,0|2,1,0]=4 1906 B16R2.252 Cc1cccc(c1)COc2ccncc2 34a_100000212176_100000211840 [0,1,0,0,0,0|2,1,0]=4 1907 B16R2.252 Cc1cccc(c1)CSc2ccccc2 62a_100000211840_100000041952 [0,1,0,0,0,0|1,0,0]=2 1908 B16R2.252 Cc1cccc(c1)CSc2ccccc2 62a_100000719477_100000211840 [0,1,0,0,0,0|1,0,0]=2 1909 B16R2.252 Cc1cccc(c1)CSc2ccccn2 62a_100000211840_100011216584 [0,1,0,0,0,0|2,0,0]=3 1910 B16R2.252 Cc1cccc(c1)CSc2ccccn2 62a_100011216584_100000211840 [0,1,0,0,0,0|2,0,0]=3 1911 B16R2.252 Cc1cccc(c1)CSc2cccnc2 62a_100000210063_100000211840 [0,1,0,0,0,0|2,0,0]=3 1912 B16R2.252 Cc1cccc(c1)CSc2cccnc2 62a_100000211840_100000210063 [0,1,0,0,0,0|2,0,0]=3 1913 B16R2.252 Cc1cccc(c1)CSc2cccnn2 62a_100000211840_100016991348 [0,1,0,0,0,0|3,0,0]=4 1914 B16R2.252 Cc1cccc(c1)CSc2cccnn2 62a_100016991348_100000211840 [0,1,0,0,0,0|3,0,0]=4 1915 B16R2.252 Cc1cccc(c1)CSc2ccncc2 62a_100000211840_100000728582 [0,1,0,0,0,0|2,0,0]=3 1916 B16R2.252 Cc1cccc(c1)CSc2ccncc2 62a_100000728582_100000211840 [0,1,0,0,0,0|2,0,0]=3 1917 B16R2.252 Cc1cccc(c1)CSc2ccncn2 62a_100000211840_100000703185 [0,1,0,0,0,0|3,0,0]=4 1918 B16R2.252 Cc1cccc(c1)CSc2ccncn2 62a_100000703185_100000211840 [0,1,0,0,0,0|3,0,0]=4 1919 B16R2.252 Cc1cccc(c1)CSc2ccnnc2 62a_100000211840_100000732662 [0,1,0,0,0,0|3,0,0]=4 1920 B16R2.252 Cc1cccc(c1)CSc2ccnnc2 62a_100000732662_100000211840 [0,1,0,0,0,0|3,0,0]=4 1921 B16R2.252 Cc1cccc(c1)CSc2cnccn2 62a_100000211759_100000211840 [0,1,0,0,0,0|3,0,0]=4 1922 B16R2.252 Cc1cccc(c1)CSc2cnccn2 62a_100000211840_100000211759 [0,1,0,0,0,0|3,0,0]=4 1923 B16R2.252 Cc1cccc(c1)CSc2cncnc2 62a_100000211840_100011206942 [0,1,0,0,0,0|3,0,0]=4 1924 B16R2.252 Cc1cccc(c1)CSc2cncnc2 62a_100011206942_100000211840 [0,1,0,0,0,0|3,0,0]=4 1925 B16R2.252 Cc1cccc(c1)CSc2ncccn2 62a_100000211032_100000211840 [0,1,0,0,0,0|3,0,0]=4 1926 B16R2.252 Cc1cccc(c1)CSc2ncccn2 62a_100000211840_100000211032 [0,1,0,0,0,0|3,0,0]=4 1927 B16R2.252 Cc1cccc(c1)NCc2ccccc2 207a_100000188690_100015611070 [0,1,0,0,0,0|2,0,0]=3 1928 B16R2.252 Cc1cccc(c1)NCc2ccccc2 2230a_100000188690_100015291786 [0,1,0,0,0,0|2,0,0]=3 1929 B16R2.252 Cc1cccc(c1)NCc2ccccc2 270302a_100000188690_100015611070 [0,1,0,0,0,0|2,0,0]=3 1930 B16R2.252 Cc1cccc(c1)NCc2ccccc2 34a_100000188690_100015291786 [0,1,0,0,0,0|2,0,0]=3 1931 B16R2.252 Cc1cccc(c1)NCc2ccccn2 207a_100000188690_100000209966 [0,1,0,0,0,0|3,0,0]=4 1932 B16R2.252 Cc1cccc(c1)NCc2ccccn2 2230a_100000188690_100000721315 [0,1,0,0,0,0|3,0,0]=4 1933 B16R2.252 Cc1cccc(c1)NCc2ccccn2 270302a_100000188690_100000209966 [0,1,0,0,0,0|3,0,0]=4 1934 B16R2.252 Cc1cccc(c1)NCc2ccccn2 34a_100000188690_100000721315 [0,1,0,0,0,0|3,0,0]=4 1935 B16R2.252 Cc1cccc(c1)NCc2cccnc2 207a_100000188690_100000209961 [0,1,0,0,0,0|3,0,0]=4 1936 B16R2.252 Cc1cccc(c1)NCc2cccnc2 2230a_100000188690_100000741622 [0,1,0,0,0,0|3,0,0]=4 1937 B16R2.252 Cc1cccc(c1)NCc2cccnc2 270302a_100000188690_100000209961 [0,1,0,0,0,0|3,0,0]=4 1938 B16R2.252 Cc1cccc(c1)NCc2cccnc2 34a_100000188690_100000733263 [0,1,0,0,0,0|3,0,0]=4 1939 B16R2.252 Cc1cccc(c1)NCc2ccncc2 207a_100000188690_100000186114 [0,1,0,0,0,0|3,0,0]=4 1940 B16R2.252 Cc1cccc(c1)NCc2ccncc2 2230a_100000188690_100015193705 [0,1,0,0,0,0|3,0,0]=4 1941 B16R2.252 Cc1cccc(c1)OCc2ccccc2 34a_100000210337_100015291786 [0,1,0,0,0,0|1,1,0]=3 1942 B16R2.252 Cc1cccc(c1)OCc2ccccc2 7a_100000210337_100000211182 [0,1,0,0,0,0|1,1,0]=3 1943 B16R2.252 Cc1cccc(c1)OCc2ccccn2 34a_100000210337_100000721315 [0,1,0,0,0,0|2,1,0]=4 1944 B16R2.252 Cc1cccc(c1)OCc2ccccn2 7a_100000210337_100000721315 [0,1,0,0,0,0|2,1,0]=4 1945 B16R2.252 Cc1cccc(c1)OCc2cccnc2 34a_100000210337_100000733263 [0,1,0,0,0,0|2,1,0]=4 1946 B16R2.252 Cc1cccc(c1)OCc2cccnc2 7a_100000210337_100000741622 [0,1,0,0,0,0|2,1,0]=4 1947 B16R2.252 Cc1cccc(c1)OCc2ccncc2 7a_100000210337_100015193705 [0,1,0,0,0,0|2,1,0]=4 1948 B16R2.252 Cc1cccc(c1)SCc2ccccc2 62a_100000211182_100011215228 [0,1,0,0,0,0|1,0,0]=2 1949 B16R2.252 Cc1cccc(c1)SCc2ccccc2 62a_100011215228_100015291786 [0,1,0,0,0,0|1,0,0]=2 1950 B16R2.252 Cc1cccc(c1)SCc2ccccn2 62a_100000721315_100011215228 [0,1,0,0,0,0|2,0,0]=3 1951 B16R2.252 Cc1cccc(c1)SCc2ccccn2 62a_100011215228_100000721315 [0,1,0,0,0,0|2,0,0]=3 1952 B16R2.252 Cc1cccc(c1)SCc2cccnc2 62a_100000741622_100011215228 [0,1,0,0,0,0|2,0,0]=3 1953 B16R2.252 Cc1cccc(c1)SCc2cccnc2 62a_100011215228_100000741622 [0,1,0,0,0,0|2,0,0]=3 1954 B16R2.252 Cc1cccc(c1)SCc2cccnn2 62a_100011215228_100016990269 [0,1,0,0,0,0|3,0,0]=4 1955 B16R2.252 Cc1cccc(c1)SCc2cccnn2 62a_100016990269_100011215228 [0,1,0,0,0,0|3,0,0]=4 1956 B16R2.252 Cc1cccc(c1)SCc2ccncc2 62a_100011215228_100015193705 [0,1,0,0,0,0|2,0,0]=3 1957 B16R2.252 Cc1cccc(c1)SCc2ccncc2 62a_100015193705_100011215228 [0,1,0,0,0,0|2,0,0]=3 1958 B16R2.252 Cc1cccc(c1)SCc2cnccn2 62a_100011215228_100016995436 [0,1,0,0,0,0|3,0,0]=4 1959 B16R2.252 Cc1cccc(c1)SCc2cnccn2 62a_100016995436_100011215228 [0,1,0,0,0,0|3,0,0]=4 1960 B16R2.252 Cc1cccc(c1)SCc2cncnc2 62a_100011215228_100015196519 [0,1,0,0,0,0|3,0,0]=4 1961 B16R2.252 Cc1cccc(c1)SCc2cncnc2 62a_100015196519_100011215228 [0,1,0,0,0,0|3,0,0]=4 1962 B16R2.252 Cc1cccc(c1)SCc2ncccn2 62a_100000703007_100011215228 [0,1,0,0,0,0|3,0,0]=4 1963 B16R2.252 Cc1cccc(c1)SCc2ncccn2 62a_100011215228_100000703007 [0,1,0,0,0,0|3,0,0]=4 1964 B16R2.252 Cc1cccc(n1)C#Cc2ccccc2 271570a_100000069678_100000742759 [0,1,0,0,0,0|3,0,0]=4 1965 B16R2.252 Cc1cccc(n1)C=Cc2ccccc2 271570a_100102527694_100000742759 [0,1,0,0,0,0|3,0,0]=4 1966 B16R2.252 Cc1cccc(n1)CNc2ccccc2 207a_100000106764_100011215050 [0,1,0,0,0,0|3,0,0]=4 1967 B16R2.252 Cc1cccc(n1)CNc2ccccc2 34a_100000106764_100000757606 [0,1,0,0,0,0|3,0,0]=4 1968 B16R2.252 Cc1cccc(n1)COc2ccccc2 34a_100000210340_100000757606 [0,1,0,0,0,0|2,1,0]=4 1969 B16R2.252 Cc1cccc(n1)COc2ccccc2 7a_100000210340_100000757606 [0,1,0,0,0,0|2,1,0]=4 1970 B16R2.252 Cc1cccc(n1)CSc2ccccc2 62a_100000719477_100000757606 [0,1,0,0,0,0|2,0,0]=3 1971 B16R2.252 Cc1cccc(n1)CSc2ccccc2 62a_100000757606_100000041952 [0,1,0,0,0,0|2,0,0]=3 1972 B16R2.252 Cc1cccc(n1)CSc2ccccn2 62a_100000757606_100011216584 [0,1,0,0,0,0|3,0,0]=4 1973 B16R2.252 Cc1cccc(n1)CSc2ccccn2 62a_100011216584_100000757606 [0,1,0,0,0,0|3,0,0]=4 1974 B16R2.252 Cc1cccc(n1)CSc2cccnc2 62a_100000210063_100000757606 [0,1,0,0,0,0|3,0,0]=4 1975 B16R2.252 Cc1cccc(n1)CSc2cccnc2 62a_100000757606_100000210063 [0,1,0,0,0,0|3,0,0]=4 1976 B16R2.252 Cc1cccc(n1)CSc2ccncc2 62a_100000728582_100000757606 [0,1,0,0,0,0|3,0,0]=4 1977 B16R2.252 Cc1cccc(n1)CSc2ccncc2 62a_100000757606_100000728582 [0,1,0,0,0,0|3,0,0]=4 1978 B16R2.252 Cc1cccc(n1)SCc2ccccc2 62a_100000211182_100000742759 [0,1,0,0,0,0|2,0,0]=3 1979 B16R2.252 Cc1cccc(n1)SCc2ccccc2 62a_100000742759_100015291786 [0,1,0,0,0,0|2,0,0]=3 1980 B16R2.252 Cc1cccc(n1)SCc2ccccn2 62a_100000721315_100000742759 [0,1,0,0,0,0|3,0,0]=4 1981 B16R2.252 Cc1cccc(n1)SCc2ccccn2 62a_100000742759_100000721315 [0,1,0,0,0,0|3,0,0]=4 1982 B16R2.252 Cc1cccc(n1)SCc2cccnc2 62a_100000741622_100000742759 [0,1,0,0,0,0|3,0,0]=4 1983 B16R2.252 Cc1cccc(n1)SCc2cccnc2 62a_100000742759_100000741622 [0,1,0,0,0,0|3,0,0]=4 1984 B16R2.252 Cc1cccc(n1)SCc2ccncc2 62a_100000742759_100015193705 [0,1,0,0,0,0|3,0,0]=4 1985 B16R2.252 Cc1cccc(n1)SCc2ccncc2 62a_100015193705_100000742759 [0,1,0,0,0,0|3,0,0]=4 1986 B16R2.252 Cc1ccnc(c1)C#Cc2ccccc2 271570a_100000069678_100000750283 [0,1,0,0,0,0|3,0,0]=4 1987 B16R2.252 Cc1ccnc(c1)C=Cc2ccccc2 271570a_100102527694_100000750283 [0,1,0,0,0,0|3,0,0]=4 1988 B16R2.252 Cc1ccnc(c1)CNc2ccccc2 207a_100000106764_100011361488 [0,1,0,0,0,0|3,0,0]=4 1989 B16R2.252 Cc1ccnc(c1)CNc2ccccc2 34a_100000106764_100000718516 [0,1,0,0,0,0|3,0,0]=4 1990 B16R2.252 Cc1ccnc(c1)COc2ccccc2 34a_100000210340_100000718516 [0,1,0,0,0,0|2,1,0]=4 1991 B16R2.252 Cc1ccnc(c1)COc2ccccc2 7a_100000210340_100000718516 [0,1,0,0,0,0|2,1,0]=4 1992 B16R2.252 Cc1ccnc(c1)CSc2ccccc2 62a_100000718516_100000041952 [0,1,0,0,0,0|2,0,0]=3 1993 B16R2.252 Cc1ccnc(c1)CSc2ccccc2 62a_100000719477_100000718516 [0,1,0,0,0,0|2,0,0]=3 1994 B16R2.252 Cc1ccnc(c1)CSc2ccccn2 62a_100000718516_100011216584 [0,1,0,0,0,0|3,0,0]=4 1995 B16R2.252 Cc1ccnc(c1)CSc2ccccn2 62a_100011216584_100000718516 [0,1,0,0,0,0|3,0,0]=4 1996 B16R2.252 Cc1ccnc(c1)CSc2cccnc2 62a_100000210063_100000718516 [0,1,0,0,0,0|3,0,0]=4 1997 B16R2.252 Cc1ccnc(c1)CSc2cccnc2 62a_100000718516_100000210063 [0,1,0,0,0,0|3,0,0]=4 1998 B16R2.252 Cc1ccnc(c1)CSc2ccncc2 62a_100000718516_100000728582 [0,1,0,0,0,0|3,0,0]=4 1999 B16R2.252 Cc1ccnc(c1)CSc2ccncc2 62a_100000728582_100000718516 [0,1,0,0,0,0|3,0,0]=4 2000 B16R2.252 Cc1ccnc(c1)SCc2ccccc2 62a_100000211182_100000750283 [0,1,0,0,0,0|2,0,0]=3 2001 B16R2.252 Cc1ccnc(c1)SCc2ccccc2 62a_100000750283_100015291786 [0,1,0,0,0,0|2,0,0]=3 2002 B16R2.252 Cc1ccnc(c1)SCc2ccccn2 62a_100000721315_100000750283 [0,1,0,0,0,0|3,0,0]=4 2003 B16R2.252 Cc1ccnc(c1)SCc2ccccn2 62a_100000750283_100000721315 [0,1,0,0,0,0|3,0,0]=4 2004 B16R2.252 Cc1ccnc(c1)SCc2cccnc2 62a_100000741622_100000750283 [0,1,0,0,0,0|3,0,0]=4 2005 B16R2.252 Cc1ccnc(c1)SCc2cccnc2 62a_100000750283_100000741622 [0,1,0,0,0,0|3,0,0]=4 2006 B16R2.252 Cc1ccnc(c1)SCc2ccncc2 62a_100000750283_100015193705 [0,1,0,0,0,0|3,0,0]=4 2007 B16R2.252 Cc1ccnc(c1)SCc2ccncc2 62a_100015193705_100000750283 [0,1,0,0,0,0|3,0,0]=4 2008 B16R2.252 Cc1ccnc(n1)SCc2ccccc2 62a_100000211182_100011243806 [0,1,0,0,0,0|3,0,0]=4 2009 B16R2.252 Cc1ccnc(n1)SCc2ccccc2 62a_100011243806_100015291786 [0,1,0,0,0,0|3,0,0]=4 2010 B16R2.252 Cc1cncc(c1)C#Cc2ccccc2 271570a_100000069678_100000760492 [0,1,0,0,0,0|3,0,0]=4 2011 B16R2.252 Cc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100000760492 [0,1,0,0,0,0|3,0,0]=4 2012 B16R2.252 Cc1cncc(c1)CNc2ccccc2 207a_100000106764_100011998712 [0,1,0,0,0,0|3,0,0]=4 2013 B16R2.252 Cc1cncc(c1)CNc2ccccc2 270302a_100000106764_100011998712 [0,1,0,0,0,0|3,0,0]=4 2014 B16R2.252 Cc1cncc(c1)CNc2ccccc2 34a_100000106764_100000716715 [0,1,0,0,0,0|3,0,0]=4 2015 B16R2.252 Cc1cncc(c1)COc2ccccc2 34a_100000210340_100000716715 [0,1,0,0,0,0|2,1,0]=4 2016 B16R2.252 Cc1cncc(c1)COc2ccccc2 7a_100000210340_100000716715 [0,1,0,0,0,0|2,1,0]=4 2017 B16R2.252 Cc1cncc(c1)CSc2ccccc2 62a_100000716715_100000041952 [0,1,0,0,0,0|2,0,0]=3 2018 B16R2.252 Cc1cncc(c1)CSc2ccccc2 62a_100000719477_100000716715 [0,1,0,0,0,0|2,0,0]=3 2019 B16R2.252 Cc1cncc(c1)CSc2ccccn2 62a_100000716715_100011216584 [0,1,0,0,0,0|3,0,0]=4 2020 B16R2.252 Cc1cncc(c1)CSc2ccccn2 62a_100011216584_100000716715 [0,1,0,0,0,0|3,0,0]=4 2021 B16R2.252 Cc1cncc(c1)CSc2cccnc2 62a_100000210063_100000716715 [0,1,0,0,0,0|3,0,0]=4 2022 B16R2.252 Cc1cncc(c1)CSc2cccnc2 62a_100000716715_100000210063 [0,1,0,0,0,0|3,0,0]=4 2023 B16R2.252 Cc1cncc(c1)CSc2ccncc2 62a_100000716715_100000728582 [0,1,0,0,0,0|3,0,0]=4 2024 B16R2.252 Cc1cncc(c1)CSc2ccncc2 62a_100000728582_100000716715 [0,1,0,0,0,0|3,0,0]=4 2025 B16R2.252 Cc1cncc(c1)OCc2ccccc2 34a_100011830280_100015291786 [0,1,0,0,0,0|2,1,0]=4 2026 B16R2.252 Cc1cncc(c1)OCc2ccccc2 7a_100011830280_100000211182 [0,1,0,0,0,0|2,1,0]=4 2027 B16R2.252 Cc1cncc(c1)SCc2ccccc2 62a_100000211182_100000760492 [0,1,0,0,0,0|2,0,0]=3 2028 B16R2.252 Cc1cncc(c1)SCc2ccccc2 62a_100000760492_100015291786 [0,1,0,0,0,0|2,0,0]=3 2029 B16R2.252 Cc1cncc(c1)SCc2ccccn2 62a_100000721315_100000760492 [0,1,0,0,0,0|3,0,0]=4 2030 B16R2.252 Cc1cncc(c1)SCc2ccccn2 62a_100000760492_100000721315 [0,1,0,0,0,0|3,0,0]=4 2031 B16R2.252 Cc1cncc(c1)SCc2cccnc2 62a_100000741622_100000760492 [0,1,0,0,0,0|3,0,0]=4 2032 B16R2.252 Cc1cncc(c1)SCc2cccnc2 62a_100000760492_100000741622 [0,1,0,0,0,0|3,0,0]=4 2033 B16R2.252 Cc1cncc(c1)SCc2ccncc2 62a_100000760492_100015193705 [0,1,0,0,0,0|3,0,0]=4 2034 B16R2.252 Cc1cncc(c1)SCc2ccncc2 62a_100015193705_100000760492 [0,1,0,0,0,0|3,0,0]=4 2035 B16R2.252 Cc1cncc(n1)SCc2ccccc2 62a_100000211182_100000754123 [0,1,0,0,0,0|3,0,0]=4 2036 B16R2.252 Cc1cncc(n1)SCc2ccccc2 62a_100000754123_100015291786 [0,1,0,0,0,0|3,0,0]=4 2037 B16R2.252 Cc1cnnc(c1)SCc2ccccc2 62a_100000070100_100015291786 [0,1,0,0,0,0|3,0,0]=4 2038 B16R2.252 Cc1cnnc(c1)SCc2ccccc2 62a_100000211182_100000070100 [0,1,0,0,0,0|3,0,0]=4 2039 B16R2.252 Cc1nccc(n1)SCc2ccccc2 62a_100000211182_100000749937 [0,1,0,0,0,0|3,0,0]=4 2040 B16R2.252 Cc1nccc(n1)SCc2ccccc2 62a_100000749937_100015291786 [0,1,0,0,0,0|3,0,0]=4 2041 B16R2.252 Clc1cc(ccn1)C#Cc2ccccc2 271570a_100000069678_100000035001 [0,1,0,0,0,0|3,0,0]=4 2042 B16R2.252 Clc1cc(ccn1)C=Cc2ccccc2 271570a_100102527694_100000035001 [0,1,0,0,0,0|3,0,0]=4 2043 B16R2.252 Clc1cc(ccn1)CNc2ccccc2 34a_100000106764_100000764220 [0,1,0,0,0,0|3,0,0]=4 2044 B16R2.252 Clc1cc(ccn1)COc2ccccc2 34a_100000210340_100000764220 [0,1,0,0,0,0|2,1,0]=4 2045 B16R2.252 Clc1cc(ccn1)COc2ccccc2 7a_100000210340_100000764220 [0,1,0,0,0,0|2,1,0]=4 2046 B16R2.252 Clc1cc(ccn1)CSc2ccccc2 62a_100000719477_100000764220 [0,1,0,0,0,0|2,0,0]=3 2047 B16R2.252 Clc1cc(ccn1)CSc2ccccc2 62a_100000764220_100000041952 [0,1,0,0,0,0|2,0,0]=3 2048 B16R2.252 Clc1cc(ccn1)CSc2ccccn2 62a_100000764220_100011216584 [0,1,0,0,0,0|3,0,0]=4 2049 B16R2.252 Clc1cc(ccn1)CSc2ccccn2 62a_100011216584_100000764220 [0,1,0,0,0,0|3,0,0]=4 2050 B16R2.252 Clc1cc(ccn1)CSc2cccnc2 62a_100000210063_100000764220 [0,1,0,0,0,0|3,0,0]=4 2051 B16R2.252 Clc1cc(ccn1)CSc2cccnc2 62a_100000764220_100000210063 [0,1,0,0,0,0|3,0,0]=4 2052 B16R2.252 Clc1cc(ccn1)CSc2ccncc2 62a_100000728582_100000764220 [0,1,0,0,0,0|3,0,0]=4 2053 B16R2.252 Clc1cc(ccn1)CSc2ccncc2 62a_100000764220_100000728582 [0,1,0,0,0,0|3,0,0]=4 2054 B16R2.252 Clc1cc(ccn1)OCc2ccccc2 34a_100000762945_100015291786 [0,1,0,0,0,0|2,1,0]=4 2055 B16R2.252 Clc1cc(ccn1)SCc2ccccc2 62a_100000035001_100015291786 [0,1,0,0,0,0|2,0,0]=3 2056 B16R2.252 Clc1cc(ccn1)SCc2ccccc2 62a_100000211182_100000035001 [0,1,0,0,0,0|2,0,0]=3 2057 B16R2.252 Clc1cc(ccn1)SCc2ccccn2 62a_100000035001_100000721315 [0,1,0,0,0,0|3,0,0]=4 2058 B16R2.252 Clc1cc(ccn1)SCc2ccccn2 62a_100000721315_100000035001 [0,1,0,0,0,0|3,0,0]=4 2059 B16R2.252 Clc1cc(ccn1)SCc2cccnc2 62a_100000035001_100000741622 [0,1,0,0,0,0|3,0,0]=4 2060 B16R2.252 Clc1cc(ccn1)SCc2cccnc2 62a_100000741622_100000035001 [0,1,0,0,0,0|3,0,0]=4 2061 B16R2.252 Clc1cc(ccn1)SCc2ccncc2 62a_100000035001_100015193705 [0,1,0,0,0,0|3,0,0]=4 2062 B16R2.252 Clc1cc(ccn1)SCc2ccncc2 62a_100015193705_100000035001 [0,1,0,0,0,0|3,0,0]=4 2063 B16R2.252 Clc1cc(ncn1)SCc2ccccc2 62a_100000211182_100010161198 [0,1,0,0,0,0|3,0,0]=4 2064 B16R2.252 Clc1cc(ncn1)SCc2ccccc2 62a_100010161198_100015291786 [0,1,0,0,0,0|3,0,0]=4 2065 B16R2.252 Clc1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100000699651 [0,1,0,0,0,0|2,0,0]=3 2066 B16R2.252 Clc1cccc(c1)C=Cc2ccccc2 271570a_100102525933_100000210277 [0,1,0,0,0,0|2,0,0]=3 2067 B16R2.252 Clc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000699651 [0,1,0,0,0,0|2,0,0]=3 2068 B16R2.252 Clc1cccc(c1)C=Cc2ccccn2 271570a_100102525933_100011216584 [0,1,0,0,0,0|3,0,0]=4 2069 B16R2.252 Clc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000699651 [0,1,0,0,0,0|3,0,0]=4 2070 B16R2.252 Clc1cccc(c1)C=Cc2cccnc2 271570a_100102525933_100000752921 [0,1,0,0,0,0|3,0,0]=4 2071 B16R2.252 Clc1cccc(c1)C=Cc2ccncc2 271570a_100102525933_100000035832 [0,1,0,0,0,0|3,0,0]=4 2072 B16R2.252 Clc1cccc(c1)CNc2ccccc2 207a_100000106764_100000210801 [0,1,0,0,0,0|2,0,0]=3 2073 B16R2.252 Clc1cccc(c1)CNc2ccccc2 270302a_100000106764_100000210801 [0,1,0,0,0,0|2,0,0]=3 2074 B16R2.252 Clc1cccc(c1)CNc2ccccc2 34a_100000106764_100000187163 [0,1,0,0,0,0|2,0,0]=3 2075 B16R2.252 Clc1cccc(c1)COc2ccccc2 34a_100000210340_100000187163 [0,1,0,0,0,0|1,1,0]=3 2076 B16R2.252 Clc1cccc(c1)COc2ccccc2 7a_100000210340_100000187163 [0,1,0,0,0,0|1,1,0]=3 2077 B16R2.252 Clc1cccc(c1)COc2cccnc2 34a_100000210849_100000187163 [0,1,0,0,0,0|2,1,0]=4 2078 B16R2.252 Clc1cccc(c1)COc2cccnc2 7a_100000210849_100000187163 [0,1,0,0,0,0|2,1,0]=4 2079 B16R2.252 Clc1cccc(c1)COc2ccncc2 34a_100000212176_100000187163 [0,1,0,0,0,0|2,1,0]=4 2080 B16R2.252 Clc1cccc(c1)CSc2ccccc2 62a_100000187163_100000041952 [0,1,0,0,0,0|1,0,0]=2 2081 B16R2.252 Clc1cccc(c1)CSc2ccccc2 62a_100000719477_100000187163 [0,1,0,0,0,0|1,0,0]=2 2082 B16R2.252 Clc1cccc(c1)CSc2ccccn2 62a_100000187163_100011216584 [0,1,0,0,0,0|2,0,0]=3 2083 B16R2.252 Clc1cccc(c1)CSc2ccccn2 62a_100011216584_100000187163 [0,1,0,0,0,0|2,0,0]=3 2084 B16R2.252 Clc1cccc(c1)CSc2cccnc2 62a_100000187163_100000210063 [0,1,0,0,0,0|2,0,0]=3 2085 B16R2.252 Clc1cccc(c1)CSc2cccnc2 62a_100000210063_100000187163 [0,1,0,0,0,0|2,0,0]=3 2086 B16R2.252 Clc1cccc(c1)CSc2cccnn2 62a_100000187163_100016991348 [0,1,0,0,0,0|3,0,0]=4 2087 B16R2.252 Clc1cccc(c1)CSc2cccnn2 62a_100016991348_100000187163 [0,1,0,0,0,0|3,0,0]=4 2088 B16R2.252 Clc1cccc(c1)CSc2ccncc2 62a_100000187163_100000728582 [0,1,0,0,0,0|2,0,0]=3 2089 B16R2.252 Clc1cccc(c1)CSc2ccncc2 62a_100000728582_100000187163 [0,1,0,0,0,0|2,0,0]=3 2090 B16R2.252 Clc1cccc(c1)CSc2ccncn2 62a_100000187163_100000703185 [0,1,0,0,0,0|3,0,0]=4 2091 B16R2.252 Clc1cccc(c1)CSc2ccncn2 62a_100000703185_100000187163 [0,1,0,0,0,0|3,0,0]=4 2092 B16R2.252 Clc1cccc(c1)CSc2ccnnc2 62a_100000187163_100000732662 [0,1,0,0,0,0|3,0,0]=4 2093 B16R2.252 Clc1cccc(c1)CSc2ccnnc2 62a_100000732662_100000187163 [0,1,0,0,0,0|3,0,0]=4 2094 B16R2.252 Clc1cccc(c1)CSc2cnccn2 62a_100000187163_100000211759 [0,1,0,0,0,0|3,0,0]=4 2095 B16R2.252 Clc1cccc(c1)CSc2cnccn2 62a_100000211759_100000187163 [0,1,0,0,0,0|3,0,0]=4 2096 B16R2.252 Clc1cccc(c1)CSc2cncnc2 62a_100000187163_100011206942 [0,1,0,0,0,0|3,0,0]=4 2097 B16R2.252 Clc1cccc(c1)CSc2cncnc2 62a_100011206942_100000187163 [0,1,0,0,0,0|3,0,0]=4 2098 B16R2.252 Clc1cccc(c1)CSc2ncccn2 62a_100000187163_100000211032 [0,1,0,0,0,0|3,0,0]=4 2099 B16R2.252 Clc1cccc(c1)CSc2ncccn2 62a_100000211032_100000187163 [0,1,0,0,0,0|3,0,0]=4 2100 B16R2.252 Clc1cccc(c1)NCc2ccccc2 207a_100000185859_100015611070 [0,1,0,0,0,0|2,0,0]=3 2101 B16R2.252 Clc1cccc(c1)NCc2ccccc2 270302a_100000185859_100015611070 [0,1,0,0,0,0|2,0,0]=3 2102 B16R2.252 Clc1cccc(c1)NCc2ccccc2 34a_100000185859_100015291786 [0,1,0,0,0,0|2,0,0]=3 2103 B16R2.252 Clc1cccc(c1)NCc2ccccn2 207a_100000185859_100000209966 [0,1,0,0,0,0|3,0,0]=4 2104 B16R2.252 Clc1cccc(c1)NCc2ccccn2 270302a_100000185859_100000209966 [0,1,0,0,0,0|3,0,0]=4 2105 B16R2.252 Clc1cccc(c1)NCc2ccccn2 34a_100000185859_100000721315 [0,1,0,0,0,0|3,0,0]=4 2106 B16R2.252 Clc1cccc(c1)NCc2cccnc2 207a_100000185859_100000209961 [0,1,0,0,0,0|3,0,0]=4 2107 B16R2.252 Clc1cccc(c1)NCc2cccnc2 270302a_100000185859_100000209961 [0,1,0,0,0,0|3,0,0]=4 2108 B16R2.252 Clc1cccc(c1)NCc2cccnc2 34a_100000185859_100000733263 [0,1,0,0,0,0|3,0,0]=4 2109 B16R2.252 Clc1cccc(c1)NCc2ccncc2 207a_100000185859_100000186114 [0,1,0,0,0,0|3,0,0]=4 2110 B16R2.252 Clc1cccc(c1)OCc2ccccc2 34a_100000210295_100015291786 [0,1,0,0,0,0|1,1,0]=3 2111 B16R2.252 Clc1cccc(c1)OCc2ccccc2 7a_100000210295_100000211182 [0,1,0,0,0,0|1,1,0]=3 2112 B16R2.252 Clc1cccc(c1)OCc2ccccn2 34a_100000210295_100000721315 [0,1,0,0,0,0|2,1,0]=4 2113 B16R2.252 Clc1cccc(c1)OCc2ccccn2 7a_100000210295_100000721315 [0,1,0,0,0,0|2,1,0]=4 2114 B16R2.252 Clc1cccc(c1)OCc2cccnc2 34a_100000210295_100000733263 [0,1,0,0,0,0|2,1,0]=4 2115 B16R2.252 Clc1cccc(c1)OCc2cccnc2 7a_100000210295_100000741622 [0,1,0,0,0,0|2,1,0]=4 2116 B16R2.252 Clc1cccc(c1)OCc2ccncc2 7a_100000210295_100015193705 [0,1,0,0,0,0|2,1,0]=4 2117 B16R2.252 Clc1cccc(c1)SCc2ccccc2 62a_100000211182_100000699651 [0,1,0,0,0,0|1,0,0]=2 2118 B16R2.252 Clc1cccc(c1)SCc2ccccc2 62a_100000699651_100015291786 [0,1,0,0,0,0|1,0,0]=2 2119 B16R2.252 Clc1cccc(c1)SCc2ccccn2 62a_100000699651_100000721315 [0,1,0,0,0,0|2,0,0]=3 2120 B16R2.252 Clc1cccc(c1)SCc2ccccn2 62a_100000721315_100000699651 [0,1,0,0,0,0|2,0,0]=3 2121 B16R2.252 Clc1cccc(c1)SCc2cccnc2 62a_100000699651_100000741622 [0,1,0,0,0,0|2,0,0]=3 2122 B16R2.252 Clc1cccc(c1)SCc2cccnc2 62a_100000741622_100000699651 [0,1,0,0,0,0|2,0,0]=3 2123 B16R2.252 Clc1cccc(c1)SCc2cccnn2 62a_100000699651_100016990269 [0,1,0,0,0,0|3,0,0]=4 2124 B16R2.252 Clc1cccc(c1)SCc2cccnn2 62a_100016990269_100000699651 [0,1,0,0,0,0|3,0,0]=4 2125 B16R2.252 Clc1cccc(c1)SCc2ccncc2 62a_100000699651_100015193705 [0,1,0,0,0,0|2,0,0]=3 2126 B16R2.252 Clc1cccc(c1)SCc2ccncc2 62a_100015193705_100000699651 [0,1,0,0,0,0|2,0,0]=3 2127 B16R2.252 Clc1cccc(c1)SCc2cnccn2 62a_100000699651_100016995436 [0,1,0,0,0,0|3,0,0]=4 2128 B16R2.252 Clc1cccc(c1)SCc2cnccn2 62a_100016995436_100000699651 [0,1,0,0,0,0|3,0,0]=4 2129 B16R2.252 Clc1cccc(c1)SCc2cncnc2 62a_100000699651_100015196519 [0,1,0,0,0,0|3,0,0]=4 2130 B16R2.252 Clc1cccc(c1)SCc2cncnc2 62a_100015196519_100000699651 [0,1,0,0,0,0|3,0,0]=4 2131 B16R2.252 Clc1cccc(c1)SCc2ncccn2 62a_100000699651_100000703007 [0,1,0,0,0,0|3,0,0]=4 2132 B16R2.252 Clc1cccc(c1)SCc2ncccn2 62a_100000703007_100000699651 [0,1,0,0,0,0|3,0,0]=4 2133 B16R2.252 Clc1cccc(n1)CNc2ccccc2 34a_100000106764_100000086093 [0,1,0,0,0,0|3,0,0]=4 2134 B16R2.252 Clc1cccc(n1)COc2ccccc2 34a_100000210340_100000086093 [0,1,0,0,0,0|2,1,0]=4 2135 B16R2.252 Clc1cccc(n1)COc2ccccc2 7a_100000210340_100000086093 [0,1,0,0,0,0|2,1,0]=4 2136 B16R2.252 Clc1cccc(n1)CSc2ccccc2 62a_100000086093_100000041952 [0,1,0,0,0,0|2,0,0]=3 2137 B16R2.252 Clc1cccc(n1)CSc2ccccc2 62a_100000719477_100000086093 [0,1,0,0,0,0|2,0,0]=3 2138 B16R2.252 Clc1cccc(n1)CSc2ccccn2 62a_100000086093_100011216584 [0,1,0,0,0,0|3,0,0]=4 2139 B16R2.252 Clc1cccc(n1)CSc2ccccn2 62a_100011216584_100000086093 [0,1,0,0,0,0|3,0,0]=4 2140 B16R2.252 Clc1cccc(n1)CSc2cccnc2 62a_100000086093_100000210063 [0,1,0,0,0,0|3,0,0]=4 2141 B16R2.252 Clc1cccc(n1)CSc2cccnc2 62a_100000210063_100000086093 [0,1,0,0,0,0|3,0,0]=4 2142 B16R2.252 Clc1cccc(n1)CSc2ccncc2 62a_100000086093_100000728582 [0,1,0,0,0,0|3,0,0]=4 2143 B16R2.252 Clc1cccc(n1)CSc2ccncc2 62a_100000728582_100000086093 [0,1,0,0,0,0|3,0,0]=4 2144 B16R2.252 Clc1cccc(n1)SCc2ccccc2 62a_100000051397_100015291786 [0,1,0,0,0,0|2,0,0]=3 2145 B16R2.252 Clc1cccc(n1)SCc2ccccc2 62a_100000211182_100000051397 [0,1,0,0,0,0|2,0,0]=3 2146 B16R2.252 Clc1cccc(n1)SCc2ccccn2 62a_100000051397_100000721315 [0,1,0,0,0,0|3,0,0]=4 2147 B16R2.252 Clc1cccc(n1)SCc2ccccn2 62a_100000721315_100000051397 [0,1,0,0,0,0|3,0,0]=4 2148 B16R2.252 Clc1cccc(n1)SCc2cccnc2 62a_100000051397_100000741622 [0,1,0,0,0,0|3,0,0]=4 2149 B16R2.252 Clc1cccc(n1)SCc2cccnc2 62a_100000741622_100000051397 [0,1,0,0,0,0|3,0,0]=4 2150 B16R2.252 Clc1cccc(n1)SCc2ccncc2 62a_100000051397_100015193705 [0,1,0,0,0,0|3,0,0]=4 2151 B16R2.252 Clc1cccc(n1)SCc2ccncc2 62a_100015193705_100000051397 [0,1,0,0,0,0|3,0,0]=4 2152 B16R2.252 Clc1ccnc(c1)C#Cc2ccccc2 271570a_100000069678_100010167805 [0,1,0,0,0,0|3,0,0]=4 2153 B16R2.252 Clc1ccnc(c1)C=Cc2ccccc2 271570a_100102527694_100010167805 [0,1,0,0,0,0|3,0,0]=4 2154 B16R2.252 Clc1ccnc(c1)CNc2ccccc2 34a_100000106764_100016988179 [0,1,0,0,0,0|3,0,0]=4 2155 B16R2.252 Clc1ccnc(c1)COc2ccccc2 34a_100000210340_100016988179 [0,1,0,0,0,0|2,1,0]=4 2156 B16R2.252 Clc1ccnc(c1)COc2ccccc2 7a_100000210340_100016988179 [0,1,0,0,0,0|2,1,0]=4 2157 B16R2.252 Clc1ccnc(c1)CSc2ccccc2 62a_100000719477_100016988179 [0,1,0,0,0,0|2,0,0]=3 2158 B16R2.252 Clc1ccnc(c1)CSc2ccccc2 62a_100016988179_100000041952 [0,1,0,0,0,0|2,0,0]=3 2159 B16R2.252 Clc1ccnc(c1)CSc2ccccn2 62a_100011216584_100016988179 [0,1,0,0,0,0|3,0,0]=4 2160 B16R2.252 Clc1ccnc(c1)CSc2ccccn2 62a_100016988179_100011216584 [0,1,0,0,0,0|3,0,0]=4 2161 B16R2.252 Clc1ccnc(c1)CSc2cccnc2 62a_100000210063_100016988179 [0,1,0,0,0,0|3,0,0]=4 2162 B16R2.252 Clc1ccnc(c1)CSc2cccnc2 62a_100016988179_100000210063 [0,1,0,0,0,0|3,0,0]=4 2163 B16R2.252 Clc1ccnc(c1)CSc2ccncc2 62a_100000728582_100016988179 [0,1,0,0,0,0|3,0,0]=4 2164 B16R2.252 Clc1ccnc(c1)CSc2ccncc2 62a_100016988179_100000728582 [0,1,0,0,0,0|3,0,0]=4 2165 B16R2.252 Clc1ccnc(c1)SCc2ccccc2 62a_100000211182_100010167805 [0,1,0,0,0,0|2,0,0]=3 2166 B16R2.252 Clc1ccnc(c1)SCc2ccccc2 62a_100010167805_100015291786 [0,1,0,0,0,0|2,0,0]=3 2167 B16R2.252 Clc1ccnc(c1)SCc2ccccn2 62a_100000721315_100010167805 [0,1,0,0,0,0|3,0,0]=4 2168 B16R2.252 Clc1ccnc(c1)SCc2ccccn2 62a_100010167805_100000721315 [0,1,0,0,0,0|3,0,0]=4 2169 B16R2.252 Clc1ccnc(c1)SCc2cccnc2 62a_100000741622_100010167805 [0,1,0,0,0,0|3,0,0]=4 2170 B16R2.252 Clc1ccnc(c1)SCc2cccnc2 62a_100010167805_100000741622 [0,1,0,0,0,0|3,0,0]=4 2171 B16R2.252 Clc1ccnc(c1)SCc2ccncc2 62a_100010167805_100015193705 [0,1,0,0,0,0|3,0,0]=4 2172 B16R2.252 Clc1ccnc(c1)SCc2ccncc2 62a_100015193705_100010167805 [0,1,0,0,0,0|3,0,0]=4 2173 B16R2.252 Clc1cncc(c1)C#Cc2ccccc2 271570a_100000069678_100000049639 [0,1,0,0,0,0|3,0,0]=4 2174 B16R2.252 Clc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100000049639 [0,1,0,0,0,0|3,0,0]=4 2175 B16R2.252 Clc1cncc(c1)CNc2ccccc2 207a_100000106764_100000088910 [0,1,0,0,0,0|3,0,0]=4 2176 B16R2.252 Clc1cncc(c1)CNc2ccccc2 270302a_100000106764_100000088910 [0,1,0,0,0,0|3,0,0]=4 2177 B16R2.252 Clc1cncc(c1)CNc2ccccc2 34a_100000106764_100016992070 [0,1,0,0,0,0|3,0,0]=4 2178 B16R2.252 Clc1cncc(c1)COc2ccccc2 34a_100000210340_100016992070 [0,1,0,0,0,0|2,1,0]=4 2179 B16R2.252 Clc1cncc(c1)COc2ccccc2 7a_100000210340_100016992070 [0,1,0,0,0,0|2,1,0]=4 2180 B16R2.252 Clc1cncc(c1)CSc2ccccc2 62a_100000719477_100016992070 [0,1,0,0,0,0|2,0,0]=3 2181 B16R2.252 Clc1cncc(c1)CSc2ccccc2 62a_100016992070_100000041952 [0,1,0,0,0,0|2,0,0]=3 2182 B16R2.252 Clc1cncc(c1)CSc2ccccn2 62a_100011216584_100016992070 [0,1,0,0,0,0|3,0,0]=4 2183 B16R2.252 Clc1cncc(c1)CSc2ccccn2 62a_100016992070_100011216584 [0,1,0,0,0,0|3,0,0]=4 2184 B16R2.252 Clc1cncc(c1)CSc2cccnc2 62a_100000210063_100016992070 [0,1,0,0,0,0|3,0,0]=4 2185 B16R2.252 Clc1cncc(c1)CSc2cccnc2 62a_100016992070_100000210063 [0,1,0,0,0,0|3,0,0]=4 2186 B16R2.252 Clc1cncc(c1)CSc2ccncc2 62a_100000728582_100016992070 [0,1,0,0,0,0|3,0,0]=4 2187 B16R2.252 Clc1cncc(c1)CSc2ccncc2 62a_100016992070_100000728582 [0,1,0,0,0,0|3,0,0]=4 2188 B16R2.252 Clc1cncc(c1)OCc2ccccc2 7a_100000032511_100000211182 [0,1,0,0,0,0|2,1,0]=4 2189 B16R2.252 Clc1cncc(c1)SCc2ccccc2 62a_100000049639_100015291786 [0,1,0,0,0,0|2,0,0]=3 2190 B16R2.252 Clc1cncc(c1)SCc2ccccc2 62a_100000211182_100000049639 [0,1,0,0,0,0|2,0,0]=3 2191 B16R2.252 Clc1cncc(c1)SCc2ccccn2 62a_100000049639_100000721315 [0,1,0,0,0,0|3,0,0]=4 2192 B16R2.252 Clc1cncc(c1)SCc2ccccn2 62a_100000721315_100000049639 [0,1,0,0,0,0|3,0,0]=4 2193 B16R2.252 Clc1cncc(c1)SCc2cccnc2 62a_100000049639_100000741622 [0,1,0,0,0,0|3,0,0]=4 2194 B16R2.252 Clc1cncc(c1)SCc2cccnc2 62a_100000741622_100000049639 [0,1,0,0,0,0|3,0,0]=4 2195 B16R2.252 Clc1cncc(c1)SCc2ccncc2 62a_100000049639_100015193705 [0,1,0,0,0,0|3,0,0]=4 2196 B16R2.252 Clc1cncc(c1)SCc2ccncc2 62a_100015193705_100000049639 [0,1,0,0,0,0|3,0,0]=4 2197 B16R2.252 Clc1cncc(n1)SCc2ccccc2 62a_100000211182_100010892449 [0,1,0,0,0,0|3,0,0]=4 2198 B16R2.252 Clc1cncc(n1)SCc2ccccc2 62a_100010892449_100015291786 [0,1,0,0,0,0|3,0,0]=4 2199 B16R2.252 Clc1nccc(n1)CSc2ccccc2 62a_100000099655_100000041952 [0,1,0,0,0,0|3,0,0]=4 2200 B16R2.252 Clc1nccc(n1)CSc2ccccc2 62a_100000719477_100000099655 [0,1,0,0,0,0|3,0,0]=4 2201 B16R2.252 Clc1nccc(n1)SCc2ccccc2 62a_100000211182_100010154678 [0,1,0,0,0,0|3,0,0]=4 2202 B16R2.252 Clc1nccc(n1)SCc2ccccc2 62a_100010154678_100015291786 [0,1,0,0,0,0|3,0,0]=4 2203 B16R2.252 Fc1cc(ccn1)C#Cc2ccccc2 271570a_100000069678_100009816116 [0,1,0,0,0,0|3,0,0]=4 2204 B16R2.252 Fc1cc(ccn1)C=Cc2ccccc2 271570a_100102527694_100009816116 [0,1,0,0,0,0|3,0,0]=4 2205 B16R2.252 Fc1cc(ccn1)NCc2ccccc2 27a_100015324214_100009816116 [0,1,0,0,0,0|3,0,0]=4 2206 B16R2.252 Fc1cc(ccn1)OCc2ccccc2 34a_100000732698_100015291786 [0,1,0,0,0,0|2,1,0]=4 2207 B16R2.252 Fc1cc(ccn1)SCc2ccccc2 62a_100000211182_100009816116 [0,1,0,0,0,0|2,0,0]=3 2208 B16R2.252 Fc1cc(ccn1)SCc2ccccc2 62a_100009816116_100015291786 [0,1,0,0,0,0|2,0,0]=3 2209 B16R2.252 Fc1cc(ccn1)SCc2ccccn2 62a_100000721315_100009816116 [0,1,0,0,0,0|3,0,0]=4 2210 B16R2.252 Fc1cc(ccn1)SCc2ccccn2 62a_100009816116_100000721315 [0,1,0,0,0,0|3,0,0]=4 2211 B16R2.252 Fc1cc(ccn1)SCc2cccnc2 62a_100000741622_100009816116 [0,1,0,0,0,0|3,0,0]=4 2212 B16R2.252 Fc1cc(ccn1)SCc2cccnc2 62a_100009816116_100000741622 [0,1,0,0,0,0|3,0,0]=4 2213 B16R2.252 Fc1cc(ccn1)SCc2ccncc2 62a_100009816116_100015193705 [0,1,0,0,0,0|3,0,0]=4 2214 B16R2.252 Fc1cc(ccn1)SCc2ccncc2 62a_100015193705_100009816116 [0,1,0,0,0,0|3,0,0]=4 2215 B16R2.252 Fc1cc(ncn1)SCc2ccccc2 62a_100000211182_200009880791 [0,1,0,0,0,0|3,0,0]=4 2216 B16R2.252 Fc1cc(ncn1)SCc2ccccc2 62a_200009880791_100015291786 [0,1,0,0,0,0|3,0,0]=4 2217 B16R2.252 Fc1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100000685547 [0,1,0,0,0,0|2,0,0]=3 2218 B16R2.252 Fc1cccc(c1)C=Cc2ccccc2 271570a_100102525537_100000210277 [0,1,0,0,0,0|2,0,0]=3 2219 B16R2.252 Fc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000685547 [0,1,0,0,0,0|2,0,0]=3 2220 B16R2.252 Fc1cccc(c1)C=Cc2ccccn2 271570a_100102525537_100011216584 [0,1,0,0,0,0|3,0,0]=4 2221 B16R2.252 Fc1cccc(c1)C=Cc2cccnc2 271570a_100102525537_100000752921 [0,1,0,0,0,0|3,0,0]=4 2222 B16R2.252 Fc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000685547 [0,1,0,0,0,0|3,0,0]=4 2223 B16R2.252 Fc1cccc(c1)C=Cc2ccncc2 271570a_100102525537_100000035832 [0,1,0,0,0,0|3,0,0]=4 2224 B16R2.252 Fc1cccc(c1)CNc2ccccc2 207a_100000106764_100000210812 [0,1,0,0,0,0|2,0,0]=3 2225 B16R2.252 Fc1cccc(c1)CNc2ccccc2 270302a_100000106764_100000210812 [0,1,0,0,0,0|2,0,0]=3 2226 B16R2.252 Fc1cccc(c1)CNc2ccccc2 34a_100000106764_100000187166 [0,1,0,0,0,0|2,0,0]=3 2227 B16R2.252 Fc1cccc(c1)COc2ccccc2 34a_100000210340_100000187166 [0,1,0,0,0,0|1,1,0]=3 2228 B16R2.252 Fc1cccc(c1)COc2ccccc2 7a_100000210340_100000230114 [0,1,0,0,0,0|1,1,0]=3 2229 B16R2.252 Fc1cccc(c1)COc2cccnc2 34a_100000210849_100000187166 [0,1,0,0,0,0|2,1,0]=4 2230 B16R2.252 Fc1cccc(c1)COc2cccnc2 7a_100000210849_100000230114 [0,1,0,0,0,0|2,1,0]=4 2231 B16R2.252 Fc1cccc(c1)COc2ccncc2 34a_100000212176_100000187166 [0,1,0,0,0,0|2,1,0]=4 2232 B16R2.252 Fc1cccc(c1)CSc2ccccc2 62a_100000230114_100000041952 [0,1,0,0,0,0|1,0,0]=2 2233 B16R2.252 Fc1cccc(c1)CSc2ccccc2 62a_100000719477_100000230114 [0,1,0,0,0,0|1,0,0]=2 2234 B16R2.252 Fc1cccc(c1)CSc2ccccn2 62a_100000230114_100011216584 [0,1,0,0,0,0|2,0,0]=3 2235 B16R2.252 Fc1cccc(c1)CSc2ccccn2 62a_100011216584_100000230114 [0,1,0,0,0,0|2,0,0]=3 2236 B16R2.252 Fc1cccc(c1)CSc2cccnc2 62a_100000210063_100000230114 [0,1,0,0,0,0|2,0,0]=3 2237 B16R2.252 Fc1cccc(c1)CSc2cccnc2 62a_100000230114_100000210063 [0,1,0,0,0,0|2,0,0]=3 2238 B16R2.252 Fc1cccc(c1)CSc2cccnn2 62a_100000230114_100016991348 [0,1,0,0,0,0|3,0,0]=4 2239 B16R2.252 Fc1cccc(c1)CSc2cccnn2 62a_100016991348_100000230114 [0,1,0,0,0,0|3,0,0]=4 2240 B16R2.252 Fc1cccc(c1)CSc2ccncc2 62a_100000230114_100000728582 [0,1,0,0,0,0|2,0,0]=3 2241 B16R2.252 Fc1cccc(c1)CSc2ccncc2 62a_100000728582_100000230114 [0,1,0,0,0,0|2,0,0]=3 2242 B16R2.252 Fc1cccc(c1)CSc2ccncn2 62a_100000230114_100000703185 [0,1,0,0,0,0|3,0,0]=4 2243 B16R2.252 Fc1cccc(c1)CSc2ccncn2 62a_100000703185_100000230114 [0,1,0,0,0,0|3,0,0]=4 2244 B16R2.252 Fc1cccc(c1)CSc2ccnnc2 62a_100000230114_100000732662 [0,1,0,0,0,0|3,0,0]=4 2245 B16R2.252 Fc1cccc(c1)CSc2ccnnc2 62a_100000732662_100000230114 [0,1,0,0,0,0|3,0,0]=4 2246 B16R2.252 Fc1cccc(c1)CSc2cnccn2 62a_100000211759_100000230114 [0,1,0,0,0,0|3,0,0]=4 2247 B16R2.252 Fc1cccc(c1)CSc2cnccn2 62a_100000230114_100000211759 [0,1,0,0,0,0|3,0,0]=4 2248 B16R2.252 Fc1cccc(c1)CSc2cncnc2 62a_100000230114_100011206942 [0,1,0,0,0,0|3,0,0]=4 2249 B16R2.252 Fc1cccc(c1)CSc2cncnc2 62a_100011206942_100000230114 [0,1,0,0,0,0|3,0,0]=4 2250 B16R2.252 Fc1cccc(c1)CSc2ncccn2 62a_100000211032_100000230114 [0,1,0,0,0,0|3,0,0]=4 2251 B16R2.252 Fc1cccc(c1)CSc2ncccn2 62a_100000230114_100000211032 [0,1,0,0,0,0|3,0,0]=4 2252 B16R2.252 Fc1cccc(c1)NCc2ccccc2 207a_100000210047_100015611070 [0,1,0,0,0,0|2,0,0]=3 2253 B16R2.252 Fc1cccc(c1)NCc2ccccc2 270302a_100000210047_100015611070 [0,1,0,0,0,0|2,0,0]=3 2254 B16R2.252 Fc1cccc(c1)NCc2ccccc2 34a_100000210047_100015291786 [0,1,0,0,0,0|2,0,0]=3 2255 B16R2.252 Fc1cccc(c1)NCc2ccccn2 207a_100000210047_100000209966 [0,1,0,0,0,0|3,0,0]=4 2256 B16R2.252 Fc1cccc(c1)NCc2ccccn2 270302a_100000210047_100000209966 [0,1,0,0,0,0|3,0,0]=4 2257 B16R2.252 Fc1cccc(c1)NCc2ccccn2 34a_100000210047_100000721315 [0,1,0,0,0,0|3,0,0]=4 2258 B16R2.252 Fc1cccc(c1)NCc2cccnc2 207a_100000210047_100000209961 [0,1,0,0,0,0|3,0,0]=4 2259 B16R2.252 Fc1cccc(c1)NCc2cccnc2 270302a_100000210047_100000209961 [0,1,0,0,0,0|3,0,0]=4 2260 B16R2.252 Fc1cccc(c1)NCc2cccnc2 34a_100000210047_100000733263 [0,1,0,0,0,0|3,0,0]=4 2261 B16R2.252 Fc1cccc(c1)NCc2ccncc2 207a_100000210047_100000186114 [0,1,0,0,0,0|3,0,0]=4 2262 B16R2.252 Fc1cccc(c1)OCc2ccccc2 34a_100000210426_100015291786 [0,1,0,0,0,0|1,1,0]=3 2263 B16R2.252 Fc1cccc(c1)OCc2ccccc2 7a_100000210426_100000211182 [0,1,0,0,0,0|1,1,0]=3 2264 B16R2.252 Fc1cccc(c1)OCc2ccccn2 34a_100000210426_100000721315 [0,1,0,0,0,0|2,1,0]=4 2265 B16R2.252 Fc1cccc(c1)OCc2ccccn2 7a_100000210426_100000721315 [0,1,0,0,0,0|2,1,0]=4 2266 B16R2.252 Fc1cccc(c1)OCc2cccnc2 34a_100000210426_100000733263 [0,1,0,0,0,0|2,1,0]=4 2267 B16R2.252 Fc1cccc(c1)OCc2cccnc2 7a_100000210426_100000741622 [0,1,0,0,0,0|2,1,0]=4 2268 B16R2.252 Fc1cccc(c1)OCc2ccncc2 7a_100000210426_100015193705 [0,1,0,0,0,0|2,1,0]=4 2269 B16R2.252 Fc1cccc(c1)SCc2ccccc2 62a_100000211182_100000685547 [0,1,0,0,0,0|1,0,0]=2 2270 B16R2.252 Fc1cccc(c1)SCc2ccccc2 62a_100000685547_100015291786 [0,1,0,0,0,0|1,0,0]=2 2271 B16R2.252 Fc1cccc(c1)SCc2ccccn2 62a_100000685547_100000721315 [0,1,0,0,0,0|2,0,0]=3 2272 B16R2.252 Fc1cccc(c1)SCc2ccccn2 62a_100000721315_100000685547 [0,1,0,0,0,0|2,0,0]=3 2273 B16R2.252 Fc1cccc(c1)SCc2cccnc2 62a_100000685547_100000741622 [0,1,0,0,0,0|2,0,0]=3 2274 B16R2.252 Fc1cccc(c1)SCc2cccnc2 62a_100000741622_100000685547 [0,1,0,0,0,0|2,0,0]=3 2275 B16R2.252 Fc1cccc(c1)SCc2cccnn2 62a_100000685547_100016990269 [0,1,0,0,0,0|3,0,0]=4 2276 B16R2.252 Fc1cccc(c1)SCc2cccnn2 62a_100016990269_100000685547 [0,1,0,0,0,0|3,0,0]=4 2277 B16R2.252 Fc1cccc(c1)SCc2ccncc2 62a_100000685547_100015193705 [0,1,0,0,0,0|2,0,0]=3 2278 B16R2.252 Fc1cccc(c1)SCc2ccncc2 62a_100015193705_100000685547 [0,1,0,0,0,0|2,0,0]=3 2279 B16R2.252 Fc1cccc(c1)SCc2cnccn2 62a_100000685547_100016995436 [0,1,0,0,0,0|3,0,0]=4 2280 B16R2.252 Fc1cccc(c1)SCc2cnccn2 62a_100016995436_100000685547 [0,1,0,0,0,0|3,0,0]=4 2281 B16R2.252 Fc1cccc(c1)SCc2cncnc2 62a_100000685547_100015196519 [0,1,0,0,0,0|3,0,0]=4 2282 B16R2.252 Fc1cccc(c1)SCc2cncnc2 62a_100015196519_100000685547 [0,1,0,0,0,0|3,0,0]=4 2283 B16R2.252 Fc1cccc(c1)SCc2ncccn2 62a_100000685547_100000703007 [0,1,0,0,0,0|3,0,0]=4 2284 B16R2.252 Fc1cccc(c1)SCc2ncccn2 62a_100000703007_100000685547 [0,1,0,0,0,0|3,0,0]=4 2285 B16R2.252 Fc1cccc(n1)C#Cc2ccccc2 271570a_100000069678_100009815982 [0,1,0,0,0,0|3,0,0]=4 2286 B16R2.252 Fc1cccc(n1)C=Cc2ccccc2 271570a_100102527694_100009815982 [0,1,0,0,0,0|3,0,0]=4 2287 B16R2.252 Fc1cccc(n1)CNc2ccccc2 34a_100000106764_100009819644 [0,1,0,0,0,0|3,0,0]=4 2288 B16R2.252 Fc1cccc(n1)COc2ccccc2 34a_100000210340_100009819644 [0,1,0,0,0,0|2,1,0]=4 2289 B16R2.252 Fc1cccc(n1)COc2ccccc2 7a_100000210340_100009819644 [0,1,0,0,0,0|2,1,0]=4 2290 B16R2.252 Fc1cccc(n1)CSc2ccccc2 62a_100000719477_100009819644 [0,1,0,0,0,0|2,0,0]=3 2291 B16R2.252 Fc1cccc(n1)CSc2ccccc2 62a_100009819644_100000041952 [0,1,0,0,0,0|2,0,0]=3 2292 B16R2.252 Fc1cccc(n1)CSc2ccccn2 62a_100009819644_100011216584 [0,1,0,0,0,0|3,0,0]=4 2293 B16R2.252 Fc1cccc(n1)CSc2ccccn2 62a_100011216584_100009819644 [0,1,0,0,0,0|3,0,0]=4 2294 B16R2.252 Fc1cccc(n1)CSc2cccnc2 62a_100000210063_100009819644 [0,1,0,0,0,0|3,0,0]=4 2295 B16R2.252 Fc1cccc(n1)CSc2cccnc2 62a_100009819644_100000210063 [0,1,0,0,0,0|3,0,0]=4 2296 B16R2.252 Fc1cccc(n1)CSc2ccncc2 62a_100000728582_100009819644 [0,1,0,0,0,0|3,0,0]=4 2297 B16R2.252 Fc1cccc(n1)CSc2ccncc2 62a_100009819644_100000728582 [0,1,0,0,0,0|3,0,0]=4 2298 B16R2.252 Fc1cccc(n1)NCc2ccccc2 27a_100015324214_100009815982 [0,1,0,0,0,0|3,0,0]=4 2299 B16R2.252 Fc1cccc(n1)OCc2ccccc2 34a_100011432558_100015291786 [0,1,0,0,0,0|2,1,0]=4 2300 B16R2.252 Fc1cccc(n1)SCc2ccccc2 62a_100000211182_100009815982 [0,1,0,0,0,0|2,0,0]=3 2301 B16R2.252 Fc1cccc(n1)SCc2ccccc2 62a_100009815982_100015291786 [0,1,0,0,0,0|2,0,0]=3 2302 B16R2.252 Fc1cccc(n1)SCc2ccccn2 62a_100000721315_100009815982 [0,1,0,0,0,0|3,0,0]=4 2303 B16R2.252 Fc1cccc(n1)SCc2ccccn2 62a_100009815982_100000721315 [0,1,0,0,0,0|3,0,0]=4 2304 B16R2.252 Fc1cccc(n1)SCc2cccnc2 62a_100000741622_100009815982 [0,1,0,0,0,0|3,0,0]=4 2305 B16R2.252 Fc1cccc(n1)SCc2cccnc2 62a_100009815982_100000741622 [0,1,0,0,0,0|3,0,0]=4 2306 B16R2.252 Fc1cccc(n1)SCc2ccncc2 62a_100009815982_100015193705 [0,1,0,0,0,0|3,0,0]=4 2307 B16R2.252 Fc1cccc(n1)SCc2ccncc2 62a_100015193705_100009815982 [0,1,0,0,0,0|3,0,0]=4 2308 B16R2.252 Fc1ccnc(c1)C#Cc2ccccc2 271570a_100000069678_100009817058 [0,1,0,0,0,0|3,0,0]=4 2309 B16R2.252 Fc1ccnc(c1)C=Cc2ccccc2 271570a_100102527694_100009817058 [0,1,0,0,0,0|3,0,0]=4 2310 B16R2.252 Fc1ccnc(c1)NCc2ccccc2 27a_100015324214_100000764206 [0,1,0,0,0,0|3,0,0]=4 2311 B16R2.252 Fc1ccnc(c1)SCc2ccccc2 62a_100000211182_100000764206 [0,1,0,0,0,0|2,0,0]=3 2312 B16R2.252 Fc1ccnc(c1)SCc2ccccc2 62a_100000764206_100015291786 [0,1,0,0,0,0|2,0,0]=3 2313 B16R2.252 Fc1ccnc(c1)SCc2ccccn2 62a_100000721315_100000764206 [0,1,0,0,0,0|3,0,0]=4 2314 B16R2.252 Fc1ccnc(c1)SCc2ccccn2 62a_100000764206_100000721315 [0,1,0,0,0,0|3,0,0]=4 2315 B16R2.252 Fc1ccnc(c1)SCc2cccnc2 62a_100000741622_100000764206 [0,1,0,0,0,0|3,0,0]=4 2316 B16R2.252 Fc1ccnc(c1)SCc2cccnc2 62a_100000764206_100000741622 [0,1,0,0,0,0|3,0,0]=4 2317 B16R2.252 Fc1ccnc(c1)SCc2ccncc2 62a_100000764206_100015193705 [0,1,0,0,0,0|3,0,0]=4 2318 B16R2.252 Fc1ccnc(c1)SCc2ccncc2 62a_100015193705_100000764206 [0,1,0,0,0,0|3,0,0]=4 2319 B16R2.252 Fc1cncc(c1)C#Cc2ccccc2 271570a_100000069678_100000744099 [0,1,0,0,0,0|3,0,0]=4 2320 B16R2.252 Fc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100000744099 [0,1,0,0,0,0|3,0,0]=4 2321 B16R2.252 Fc1cncc(c1)CNc2ccccc2 207a_100000106764_100011361476 [0,1,0,0,0,0|3,0,0]=4 2322 B16R2.252 Fc1cncc(c1)CNc2ccccc2 270302a_100000106764_100011361476 [0,1,0,0,0,0|3,0,0]=4 2323 B16R2.252 Fc1cncc(c1)CNc2ccccc2 34a_100000106764_100000725299 [0,1,0,0,0,0|3,0,0]=4 2324 B16R2.252 Fc1cncc(c1)COc2ccccc2 34a_100000210340_100000725299 [0,1,0,0,0,0|2,1,0]=4 2325 B16R2.252 Fc1cncc(c1)COc2ccccc2 7a_100000210340_100000725299 [0,1,0,0,0,0|2,1,0]=4 2326 B16R2.252 Fc1cncc(c1)CSc2ccccc2 62a_100000719477_100000725299 [0,1,0,0,0,0|2,0,0]=3 2327 B16R2.252 Fc1cncc(c1)CSc2ccccc2 62a_100000725299_100000041952 [0,1,0,0,0,0|2,0,0]=3 2328 B16R2.252 Fc1cncc(c1)CSc2ccccn2 62a_100000725299_100011216584 [0,1,0,0,0,0|3,0,0]=4 2329 B16R2.252 Fc1cncc(c1)CSc2ccccn2 62a_100011216584_100000725299 [0,1,0,0,0,0|3,0,0]=4 2330 B16R2.252 Fc1cncc(c1)CSc2cccnc2 62a_100000210063_100000725299 [0,1,0,0,0,0|3,0,0]=4 2331 B16R2.252 Fc1cncc(c1)CSc2cccnc2 62a_100000725299_100000210063 [0,1,0,0,0,0|3,0,0]=4 2332 B16R2.252 Fc1cncc(c1)CSc2ccncc2 62a_100000725299_100000728582 [0,1,0,0,0,0|3,0,0]=4 2333 B16R2.252 Fc1cncc(c1)CSc2ccncc2 62a_100000728582_100000725299 [0,1,0,0,0,0|3,0,0]=4 2334 B16R2.252 Fc1cncc(c1)OCc2ccccc2 34a_100011830296_100015291786 [0,1,0,0,0,0|2,1,0]=4 2335 B16R2.252 Fc1cncc(c1)OCc2ccccc2 7a_100011830296_100000211182 [0,1,0,0,0,0|2,1,0]=4 2336 B16R2.252 Fc1cncc(c1)SCc2ccccc2 62a_100000211182_100000744099 [0,1,0,0,0,0|2,0,0]=3 2337 B16R2.252 Fc1cncc(c1)SCc2ccccc2 62a_100000744099_100015291786 [0,1,0,0,0,0|2,0,0]=3 2338 B16R2.252 Fc1cncc(c1)SCc2ccccn2 62a_100000721315_100000744099 [0,1,0,0,0,0|3,0,0]=4 2339 B16R2.252 Fc1cncc(c1)SCc2ccccn2 62a_100000744099_100000721315 [0,1,0,0,0,0|3,0,0]=4 2340 B16R2.252 Fc1cncc(c1)SCc2cccnc2 62a_100000741622_100000744099 [0,1,0,0,0,0|3,0,0]=4 2341 B16R2.252 Fc1cncc(c1)SCc2cccnc2 62a_100000744099_100000741622 [0,1,0,0,0,0|3,0,0]=4 2342 B16R2.252 Fc1cncc(c1)SCc2ccncc2 62a_100000744099_100015193705 [0,1,0,0,0,0|3,0,0]=4 2343 B16R2.252 Fc1cncc(c1)SCc2ccncc2 62a_100015193705_100000744099 [0,1,0,0,0,0|3,0,0]=4 2344 B16R2.252 Fc1cncc(n1)SCc2ccccc2 62a_100000211182_200009863489 [0,1,0,0,0,0|3,0,0]=4 2345 B16R2.252 Fc1cncc(n1)SCc2ccccc2 62a_200009863489_100015291786 [0,1,0,0,0,0|3,0,0]=4 2346 B16R2.252 Ic1cccc(c1)CNc2ccccc2 207a_100000106764_100000014684 [0,1,0,0,0,0|2,0,0]=3 2347 B16R2.252 Ic1cccc(c1)CNc2ccccc2 270302a_100000106764_100000014684 [0,1,0,0,0,0|2,0,0]=3 2348 B16R2.252 Ic1cccc(c1)CNc2ccccc2 34a_100000106764_100011218688 [0,1,0,0,0,0|2,0,0]=3 2349 B16R2.252 Ic1cccc(c1)COc2ccccc2 34a_100000210340_100011218688 [0,1,0,0,0,0|1,1,0]=3 2350 B16R2.252 Ic1cccc(c1)COc2ccccc2 7a_100000210340_100011218688 [0,1,0,0,0,0|1,1,0]=3 2351 B16R2.252 Ic1cccc(c1)COc2cccnc2 34a_100000210849_100011218688 [0,1,0,0,0,0|2,1,0]=4 2352 B16R2.252 Ic1cccc(c1)COc2cccnc2 7a_100000210849_100011218688 [0,1,0,0,0,0|2,1,0]=4 2353 B16R2.252 Ic1cccc(c1)COc2ccncc2 34a_100000212176_100011218688 [0,1,0,0,0,0|2,1,0]=4 2354 B16R2.252 Ic1cccc(c1)CSc2ccccc2 62a_100000719477_100011218688 [0,1,0,0,0,0|1,0,0]=2 2355 B16R2.252 Ic1cccc(c1)CSc2ccccc2 62a_100011218688_100000041952 [0,1,0,0,0,0|1,0,0]=2 2356 B16R2.252 Ic1cccc(c1)CSc2ccccn2 62a_100011216584_100011218688 [0,1,0,0,0,0|2,0,0]=3 2357 B16R2.252 Ic1cccc(c1)CSc2ccccn2 62a_100011218688_100011216584 [0,1,0,0,0,0|2,0,0]=3 2358 B16R2.252 Ic1cccc(c1)CSc2cccnc2 62a_100000210063_100011218688 [0,1,0,0,0,0|2,0,0]=3 2359 B16R2.252 Ic1cccc(c1)CSc2cccnc2 62a_100011218688_100000210063 [0,1,0,0,0,0|2,0,0]=3 2360 B16R2.252 Ic1cccc(c1)CSc2cccnn2 62a_100011218688_100016991348 [0,1,0,0,0,0|3,0,0]=4 2361 B16R2.252 Ic1cccc(c1)CSc2cccnn2 62a_100016991348_100011218688 [0,1,0,0,0,0|3,0,0]=4 2362 B16R2.252 Ic1cccc(c1)CSc2ccncc2 62a_100000728582_100011218688 [0,1,0,0,0,0|2,0,0]=3 2363 B16R2.252 Ic1cccc(c1)CSc2ccncc2 62a_100011218688_100000728582 [0,1,0,0,0,0|2,0,0]=3 2364 B16R2.252 Ic1cccc(c1)CSc2ccncn2 62a_100000703185_100011218688 [0,1,0,0,0,0|3,0,0]=4 2365 B16R2.252 Ic1cccc(c1)CSc2ccncn2 62a_100011218688_100000703185 [0,1,0,0,0,0|3,0,0]=4 2366 B16R2.252 Ic1cccc(c1)CSc2ccnnc2 62a_100000732662_100011218688 [0,1,0,0,0,0|3,0,0]=4 2367 B16R2.252 Ic1cccc(c1)CSc2ccnnc2 62a_100011218688_100000732662 [0,1,0,0,0,0|3,0,0]=4 2368 B16R2.252 Ic1cccc(c1)CSc2cnccn2 62a_100000211759_100011218688 [0,1,0,0,0,0|3,0,0]=4 2369 B16R2.252 Ic1cccc(c1)CSc2cnccn2 62a_100011218688_100000211759 [0,1,0,0,0,0|3,0,0]=4 2370 B16R2.252 Ic1cccc(c1)CSc2cncnc2 62a_100011206942_100011218688 [0,1,0,0,0,0|3,0,0]=4 2371 B16R2.252 Ic1cccc(c1)CSc2cncnc2 62a_100011218688_100011206942 [0,1,0,0,0,0|3,0,0]=4 2372 B16R2.252 Ic1cccc(c1)CSc2ncccn2 62a_100000211032_100011218688 [0,1,0,0,0,0|3,0,0]=4 2373 B16R2.252 Ic1cccc(c1)CSc2ncccn2 62a_100011218688_100000211032 [0,1,0,0,0,0|3,0,0]=4 2374 B16R2.252 Ic1cccc(c1)NCc2ccccc2 207a_100000211102_100015611070 [0,1,0,0,0,0|2,0,0]=3 2375 B16R2.252 Ic1cccc(c1)NCc2ccccc2 270302a_100000211102_100015611070 [0,1,0,0,0,0|2,0,0]=3 2376 B16R2.252 Ic1cccc(c1)NCc2ccccc2 34a_100000211102_100015291786 [0,1,0,0,0,0|2,0,0]=3 2377 B16R2.252 Ic1cccc(c1)NCc2ccccn2 207a_100000211102_100000209966 [0,1,0,0,0,0|3,0,0]=4 2378 B16R2.252 Ic1cccc(c1)NCc2ccccn2 270302a_100000211102_100000209966 [0,1,0,0,0,0|3,0,0]=4 2379 B16R2.252 Ic1cccc(c1)NCc2ccccn2 34a_100000211102_100000721315 [0,1,0,0,0,0|3,0,0]=4 2380 B16R2.252 Ic1cccc(c1)NCc2cccnc2 207a_100000211102_100000209961 [0,1,0,0,0,0|3,0,0]=4 2381 B16R2.252 Ic1cccc(c1)NCc2cccnc2 270302a_100000211102_100000209961 [0,1,0,0,0,0|3,0,0]=4 2382 B16R2.252 Ic1cccc(c1)NCc2cccnc2 34a_100000211102_100000733263 [0,1,0,0,0,0|3,0,0]=4 2383 B16R2.252 Ic1cccc(c1)NCc2ccncc2 207a_100000211102_100000186114 [0,1,0,0,0,0|3,0,0]=4 2384 B16R2.252 Ic1cccc(c1)OCc2ccccc2 34a_100000211634_100015291786 [0,1,0,0,0,0|1,1,0]=3 2385 B16R2.252 Ic1cccc(c1)OCc2ccccc2 7a_100000211634_100000211182 [0,1,0,0,0,0|1,1,0]=3 2386 B16R2.252 Ic1cccc(c1)OCc2ccccn2 34a_100000211634_100000721315 [0,1,0,0,0,0|2,1,0]=4 2387 B16R2.252 Ic1cccc(c1)OCc2ccccn2 7a_100000211634_100000721315 [0,1,0,0,0,0|2,1,0]=4 2388 B16R2.252 Ic1cccc(c1)OCc2cccnc2 34a_100000211634_100000733263 [0,1,0,0,0,0|2,1,0]=4 2389 B16R2.252 Ic1cccc(c1)OCc2cccnc2 7a_100000211634_100000741622 [0,1,0,0,0,0|2,1,0]=4 2390 B16R2.252 Ic1cccc(c1)OCc2ccncc2 7a_100000211634_100015193705 [0,1,0,0,0,0|2,1,0]=4 2391 B16R2.252 Nc1cc(ccn1)C#Cc2ccccc2 271570a_100000069678_100000744379 [0,1,0,0,0,0|3,0,0]=4 2392 B16R2.252 Nc1cc(ccn1)C=Cc2ccccc2 271570a_100102527694_100000744379 [0,1,0,0,0,0|3,0,0]=4 2393 B16R2.252 Nc1cc(ccn1)OCc2ccccc2 34a_100011834064_100015291786 [0,1,0,0,0,0|2,1,0]=4 2394 B16R2.252 Nc1cc(ccn1)SCc2ccccc2 62a_100000049665_100015291786 [0,1,0,0,0,0|2,0,0]=3 2395 B16R2.252 Nc1cc(ccn1)SCc2ccccc2 62a_100000211182_100000049665 [0,1,0,0,0,0|2,0,0]=3 2396 B16R2.252 Nc1cc(ccn1)SCc2ccccn2 62a_100000049665_100000721315 [0,1,0,0,0,0|3,0,0]=4 2397 B16R2.252 Nc1cc(ccn1)SCc2ccccn2 62a_100000721315_100000049665 [0,1,0,0,0,0|3,0,0]=4 2398 B16R2.252 Nc1cc(ccn1)SCc2cccnc2 62a_100000049665_100000741622 [0,1,0,0,0,0|3,0,0]=4 2399 B16R2.252 Nc1cc(ccn1)SCc2cccnc2 62a_100000741622_100000049665 [0,1,0,0,0,0|3,0,0]=4 2400 B16R2.252 Nc1cc(ccn1)SCc2ccncc2 62a_100000049665_100015193705 [0,1,0,0,0,0|3,0,0]=4 2401 B16R2.252 Nc1cc(ccn1)SCc2ccncc2 62a_100015193705_100000049665 [0,1,0,0,0,0|3,0,0]=4 2402 B16R2.252 Nc1cc(cnn1)SCc2ccccc2 62a_100000130277_100015291786 [0,1,0,0,0,0|3,0,0]=4 2403 B16R2.252 Nc1cc(cnn1)SCc2ccccc2 62a_100000211182_100000130277 [0,1,0,0,0,0|3,0,0]=4 2404 B16R2.252 Nc1cc(ncn1)SCc2ccccc2 62a_100000211182_100000701291 [0,1,0,0,0,0|3,0,0]=4 2405 B16R2.252 Nc1cc(ncn1)SCc2ccccc2 62a_100000701291_100015291786 [0,1,0,0,0,0|3,0,0]=4 2406 B16R2.252 Nc1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100000210019 [0,1,0,0,0,0|2,0,0]=3 2407 B16R2.252 Nc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000210019 [0,1,0,0,0,0|2,0,0]=3 2408 B16R2.252 Nc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000210019 [0,1,0,0,0,0|3,0,0]=4 2409 B16R2.252 Nc1cccc(c1)OCc2ccccc2 34a_100000210217_100015291786 [0,1,0,0,0,0|1,1,0]=3 2410 B16R2.252 Nc1cccc(c1)OCc2ccccn2 34a_100000210217_100000721315 [0,1,0,0,0,0|2,1,0]=4 2411 B16R2.252 Nc1cccc(c1)OCc2cccnc2 34a_100000210217_100000733263 [0,1,0,0,0,0|2,1,0]=4 2412 B16R2.252 Nc1cccc(c1)SCc2ccccc2 62a_100000210019_100015291786 [0,1,0,0,0,0|1,0,0]=2 2413 B16R2.252 Nc1cccc(c1)SCc2ccccc2 62a_100000211182_100000210019 [0,1,0,0,0,0|1,0,0]=2 2414 B16R2.252 Nc1cccc(c1)SCc2ccccn2 62a_100000210019_100000721315 [0,1,0,0,0,0|2,0,0]=3 2415 B16R2.252 Nc1cccc(c1)SCc2ccccn2 62a_100000721315_100000210019 [0,1,0,0,0,0|2,0,0]=3 2416 B16R2.252 Nc1cccc(c1)SCc2cccnc2 62a_100000210019_100000741622 [0,1,0,0,0,0|2,0,0]=3 2417 B16R2.252 Nc1cccc(c1)SCc2cccnc2 62a_100000741622_100000210019 [0,1,0,0,0,0|2,0,0]=3 2418 B16R2.252 Nc1cccc(c1)SCc2cccnn2 62a_100000210019_100016990269 [0,1,0,0,0,0|3,0,0]=4 2419 B16R2.252 Nc1cccc(c1)SCc2cccnn2 62a_100016990269_100000210019 [0,1,0,0,0,0|3,0,0]=4 2420 B16R2.252 Nc1cccc(c1)SCc2ccncc2 62a_100000210019_100015193705 [0,1,0,0,0,0|2,0,0]=3 2421 B16R2.252 Nc1cccc(c1)SCc2ccncc2 62a_100015193705_100000210019 [0,1,0,0,0,0|2,0,0]=3 2422 B16R2.252 Nc1cccc(c1)SCc2cnccn2 62a_100000210019_100016995436 [0,1,0,0,0,0|3,0,0]=4 2423 B16R2.252 Nc1cccc(c1)SCc2cnccn2 62a_100016995436_100000210019 [0,1,0,0,0,0|3,0,0]=4 2424 B16R2.252 Nc1cccc(c1)SCc2cncnc2 62a_100000210019_100015196519 [0,1,0,0,0,0|3,0,0]=4 2425 B16R2.252 Nc1cccc(c1)SCc2cncnc2 62a_100015196519_100000210019 [0,1,0,0,0,0|3,0,0]=4 2426 B16R2.252 Nc1cccc(c1)SCc2ncccn2 62a_100000210019_100000703007 [0,1,0,0,0,0|3,0,0]=4 2427 B16R2.252 Nc1cccc(c1)SCc2ncccn2 62a_100000703007_100000210019 [0,1,0,0,0,0|3,0,0]=4 2428 B16R2.252 Nc1cccc(n1)C#Cc2ccccc2 271570a_100000069678_100000740741 [0,1,0,0,0,0|3,0,0]=4 2429 B16R2.252 Nc1cccc(n1)C=Cc2ccccc2 271570a_100102527694_100000740741 [0,1,0,0,0,0|3,0,0]=4 2430 B16R2.252 Nc1cccc(n1)SCc2ccccc2 62a_100000211182_100000740741 [0,1,0,0,0,0|2,0,0]=3 2431 B16R2.252 Nc1cccc(n1)SCc2ccccc2 62a_100000740741_100015291786 [0,1,0,0,0,0|2,0,0]=3 2432 B16R2.252 Nc1cccc(n1)SCc2ccccn2 62a_100000721315_100000740741 [0,1,0,0,0,0|3,0,0]=4 2433 B16R2.252 Nc1cccc(n1)SCc2ccccn2 62a_100000740741_100000721315 [0,1,0,0,0,0|3,0,0]=4 2434 B16R2.252 Nc1cccc(n1)SCc2cccnc2 62a_100000740741_100000741622 [0,1,0,0,0,0|3,0,0]=4 2435 B16R2.252 Nc1cccc(n1)SCc2cccnc2 62a_100000741622_100000740741 [0,1,0,0,0,0|3,0,0]=4 2436 B16R2.252 Nc1cccc(n1)SCc2ccncc2 62a_100000740741_100015193705 [0,1,0,0,0,0|3,0,0]=4 2437 B16R2.252 Nc1cccc(n1)SCc2ccncc2 62a_100015193705_100000740741 [0,1,0,0,0,0|3,0,0]=4 2438 B16R2.252 Nc1ccnc(c1)C#Cc2ccccc2 271570a_100000069678_100009814236 [0,1,0,0,0,0|3,0,0]=4 2439 B16R2.252 Nc1ccnc(c1)C=Cc2ccccc2 271570a_100102527694_100009814236 [0,1,0,0,0,0|3,0,0]=4 2440 B16R2.252 Nc1ccnc(c1)SCc2ccccc2 62a_100000211182_100009814236 [0,1,0,0,0,0|2,0,0]=3 2441 B16R2.252 Nc1ccnc(c1)SCc2ccccc2 62a_100009814236_100015291786 [0,1,0,0,0,0|2,0,0]=3 2442 B16R2.252 Nc1ccnc(c1)SCc2ccccn2 62a_100000721315_100009814236 [0,1,0,0,0,0|3,0,0]=4 2443 B16R2.252 Nc1ccnc(c1)SCc2ccccn2 62a_100009814236_100000721315 [0,1,0,0,0,0|3,0,0]=4 2444 B16R2.252 Nc1ccnc(c1)SCc2cccnc2 62a_100000741622_100009814236 [0,1,0,0,0,0|3,0,0]=4 2445 B16R2.252 Nc1ccnc(c1)SCc2cccnc2 62a_100009814236_100000741622 [0,1,0,0,0,0|3,0,0]=4 2446 B16R2.252 Nc1ccnc(c1)SCc2ccncc2 62a_100009814236_100015193705 [0,1,0,0,0,0|3,0,0]=4 2447 B16R2.252 Nc1ccnc(c1)SCc2ccncc2 62a_100015193705_100009814236 [0,1,0,0,0,0|3,0,0]=4 2448 B16R2.252 Nc1ccnc(n1)SCc2ccccc2 62a_100000211182_100000757536 [0,1,0,0,0,0|3,0,0]=4 2449 B16R2.252 Nc1ccnc(n1)SCc2ccccc2 62a_100000757536_100015291786 [0,1,0,0,0,0|3,0,0]=4 2450 B16R2.252 Nc1cncc(c1)C#Cc2ccccc2 271570a_100000069678_100000687067 [0,1,0,0,0,0|3,0,0]=4 2451 B16R2.252 Nc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100000687067 [0,1,0,0,0,0|3,0,0]=4 2452 B16R2.252 Nc1cncc(c1)OCc2ccccc2 34a_100011997051_100015291786 [0,1,0,0,0,0|2,1,0]=4 2453 B16R2.252 Nc1cncc(c1)SCc2ccccc2 62a_100000211182_100000687067 [0,1,0,0,0,0|2,0,0]=3 2454 B16R2.252 Nc1cncc(c1)SCc2ccccc2 62a_100000687067_100015291786 [0,1,0,0,0,0|2,0,0]=3 2455 B16R2.252 Nc1cncc(c1)SCc2ccccn2 62a_100000687067_100000721315 [0,1,0,0,0,0|3,0,0]=4 2456 B16R2.252 Nc1cncc(c1)SCc2ccccn2 62a_100000721315_100000687067 [0,1,0,0,0,0|3,0,0]=4 2457 B16R2.252 Nc1cncc(c1)SCc2cccnc2 62a_100000687067_100000741622 [0,1,0,0,0,0|3,0,0]=4 2458 B16R2.252 Nc1cncc(c1)SCc2cccnc2 62a_100000741622_100000687067 [0,1,0,0,0,0|3,0,0]=4 2459 B16R2.252 Nc1cncc(c1)SCc2ccncc2 62a_100000687067_100015193705 [0,1,0,0,0,0|3,0,0]=4 2460 B16R2.252 Nc1cncc(c1)SCc2ccncc2 62a_100015193705_100000687067 [0,1,0,0,0,0|3,0,0]=4 2461 B16R2.252 Nc1cncc(n1)SCc2ccccc2 62a_100000211182_100000747728 [0,1,0,0,0,0|3,0,0]=4 2462 B16R2.252 Nc1cncc(n1)SCc2ccccc2 62a_100000747728_100015291786 [0,1,0,0,0,0|3,0,0]=4 2463 B16R2.252 Nc1cnnc(c1)SCc2ccccc2 62a_100000211182_100011996757 [0,1,0,0,0,0|3,0,0]=4 2464 B16R2.252 Nc1cnnc(c1)SCc2ccccc2 62a_100011996757_100015291786 [0,1,0,0,0,0|3,0,0]=4 2465 B16R2.252 Nc1nccc(n1)SCc2ccccc2 62a_100000055538_100015291786 [0,1,0,0,0,0|3,0,0]=4 2466 B16R2.252 Nc1nccc(n1)SCc2ccccc2 62a_100000211182_100000055538 [0,1,0,0,0,0|3,0,0]=4 2467 B16R2.252 O=c1cc(cc[nH]1)C#Cc2ccccc2 271570a_100000069678_100009816521 [0,1,0,0,0,0|3,0,0]=4 2468 B16R2.252 O=c1cc(cc[nH]1)C=Cc2ccccc2 271570a_100102527694_100009816521 [0,1,0,0,0,0|3,0,0]=4 2469 B16R2.252 O=c1cc(cc[nH]1)NCc2ccccc2 27a_100015324214_100000061649 [0,1,0,0,0,0|3,0,0]=4 2470 B16R2.252 O=c1cc(cc[nH]1)OCc2ccccc2 34a_100000032262_100015291786 [0,1,0,0,0,0|2,1,0]=4 2471 B16R2.252 O=c1cc(cc[nH]1)SCc2ccccc2 62a_100000211182_100009816521 [0,1,0,0,0,0|2,0,0]=3 2472 B16R2.252 O=c1cc(cc[nH]1)SCc2ccccc2 62a_100009816521_100015291786 [0,1,0,0,0,0|2,0,0]=3 2473 B16R2.252 O=c1cc(cc[nH]1)SCc2ccccn2 62a_100000721315_100009816521 [0,1,0,0,0,0|3,0,0]=4 2474 B16R2.252 O=c1cc(cc[nH]1)SCc2ccccn2 62a_100009816521_100000721315 [0,1,0,0,0,0|3,0,0]=4 2475 B16R2.252 O=c1cc(cc[nH]1)SCc2cccnc2 62a_100000741622_100009816521 [0,1,0,0,0,0|3,0,0]=4 2476 B16R2.252 O=c1cc(cc[nH]1)SCc2cccnc2 62a_100009816521_100000741622 [0,1,0,0,0,0|3,0,0]=4 2477 B16R2.252 O=c1cc(cc[nH]1)SCc2ccncc2 62a_100009816521_100015193705 [0,1,0,0,0,0|3,0,0]=4 2478 B16R2.252 O=c1cc(cc[nH]1)SCc2ccncc2 62a_100015193705_100009816521 [0,1,0,0,0,0|3,0,0]=4 2479 B16R2.252 O=c1cc(cn[nH]1)SCc2ccccc2 62a_100000211182_100010197405 [0,1,0,0,0,0|3,0,0]=4 2480 B16R2.252 O=c1cc(nc[nH]1)SCc2ccccc2 62a_100012002517_100015291786 [0,1,0,0,0,0|3,0,0]=4 2481 B16R2.252 O=c1cc[nH]c(c1)SCc2ccccc2 62a_100009817434_100015291786 [0,1,0,0,0,0|2,0,0]=3 2482 B16R2.252 O=c1cc[nH]c(c1)SCc2ccccn2 62a_100009817434_100000721315 [0,1,0,0,0,0|3,0,0]=4 2483 B16R2.252 O=c1cc[nH]c(c1)SCc2cccnc2 62a_100009817434_100000741622 [0,1,0,0,0,0|3,0,0]=4 2484 B16R2.252 O=c1cc[nH]c(c1)SCc2ccncc2 62a_100009817434_100015193705 [0,1,0,0,0,0|3,0,0]=4 2485 B16R2.252 O=c1cccc([nH]1)C#Cc2ccccc2 271570a_100000069678_100000761760 [0,1,0,0,0,0|3,0,0]=4 2486 B16R2.252 O=c1cccc([nH]1)C=Cc2ccccc2 271570a_100102527694_100000761760 [0,1,0,0,0,0|3,0,0]=4 2487 B16R2.252 O=c1cccc([nH]1)CNc2ccccc2 207a_100000106764_100011935257 [0,1,0,0,0,0|3,0,0]=4 2488 B16R2.252 O=c1cccc([nH]1)OCc2ccccc2 34a_100000033347_100015291786 [0,1,0,0,0,0|2,1,0]=4 2489 B16R2.252 O=c1cccc([nH]1)SCc2ccccc2 62a_100000211182_100000752884 [0,1,0,0,0,0|2,0,0]=3 2490 B16R2.252 O=c1cccc([nH]1)SCc2ccccn2 62a_100000721315_100000752884 [0,1,0,0,0,0|3,0,0]=4 2491 B16R2.252 O=c1cccc([nH]1)SCc2cccnc2 62a_100000741622_100000752884 [0,1,0,0,0,0|3,0,0]=4 2492 B16R2.252 O=c1cccc([nH]1)SCc2ccncc2 62a_100015193705_100000752884 [0,1,0,0,0,0|3,0,0]=4 2493 B16R2.252 O=c1nc(cc[nH]1)SCc2ccccc2 62a_100000211182_200000134032 [0,1,0,0,0,0|3,0,0]=4 2494 B16R2.252 Oc1cc(ccn1)CNc2ccccc2 207a_100000106764_100000688113 [0,1,0,0,0,0|3,0,0]=4 2495 B16R2.252 Oc1cc(ccn1)OCc2ccccc2 271570a_203496583355_200000766317 [0,1,0,0,0,0|2,1,0]=4 2496 B16R2.252 Oc1cc(ncn1)SCc2ccccc2 62a_100000211182_100000765262 [0,1,0,0,0,0|3,0,0]=4 2497 B16R2.252 Oc1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100000211634 [0,1,0,0,0,0|2,0,0]=3 2498 B16R2.252 Oc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000211634 [0,1,0,0,0,0|2,0,0]=3 2499 B16R2.252 Oc1cccc(c1)C=Cc2cccnc2 271570a_100102525586_100000211634 [0,1,0,0,0,0|3,0,0]=4 2500 B16R2.252 Oc1cccc(c1)CNc2ccccc2 207a_100000106764_100000188321 [0,1,0,0,0,0|2,0,0]=3 2501 B16R2.252 Oc1cccc(c1)CNc2ccccc2 34a_100000106764_100011660834 [0,1,0,0,0,0|2,0,0]=3 2502 B16R2.252 Oc1cccc(c1)COc2ccccc2 271570a_203496583355_100000173242 [0,1,0,0,0,0|1,1,0]=3 2503 B16R2.252 Oc1cccc(c1)COc2ccccc2 34a_100000210340_100011660834 [0,1,0,0,0,0|1,1,0]=3 2504 B16R2.252 Oc1cccc(c1)COc2ccccc2 7a_100000210340_100000084143 [0,1,0,0,0,0|1,1,0]=3 2505 B16R2.252 Oc1cccc(c1)COc2cccnc2 34a_100000210849_100011660834 [0,1,0,0,0,0|2,1,0]=4 2506 B16R2.252 Oc1cccc(c1)COc2cccnc2 7a_100000210849_100000084143 [0,1,0,0,0,0|2,1,0]=4 2507 B16R2.252 Oc1cccc(c1)COc2ccncc2 34a_100000212176_100011660834 [0,1,0,0,0,0|2,1,0]=4 2508 B16R2.252 Oc1cccc(c1)CSc2ccccc2 62a_100000719477_100011660834 [0,1,0,0,0,0|1,0,0]=2 2509 B16R2.252 Oc1cccc(c1)CSc2ccccc2 62a_100011660834_100000041952 [0,1,0,0,0,0|1,0,0]=2 2510 B16R2.252 Oc1cccc(c1)CSc2ccccn2 62a_100011216584_100011660834 [0,1,0,0,0,0|2,0,0]=3 2511 B16R2.252 Oc1cccc(c1)CSc2ccccn2 62a_100011660834_100011216584 [0,1,0,0,0,0|2,0,0]=3 2512 B16R2.252 Oc1cccc(c1)CSc2cccnc2 62a_100000210063_100011660834 [0,1,0,0,0,0|2,0,0]=3 2513 B16R2.252 Oc1cccc(c1)CSc2cccnc2 62a_100011660834_100000210063 [0,1,0,0,0,0|2,0,0]=3 2514 B16R2.252 Oc1cccc(c1)CSc2cccnn2 62a_100011660834_100016991348 [0,1,0,0,0,0|3,0,0]=4 2515 B16R2.252 Oc1cccc(c1)CSc2cccnn2 62a_100016991348_100011660834 [0,1,0,0,0,0|3,0,0]=4 2516 B16R2.252 Oc1cccc(c1)CSc2ccncc2 62a_100000728582_100011660834 [0,1,0,0,0,0|2,0,0]=3 2517 B16R2.252 Oc1cccc(c1)CSc2ccncc2 62a_100011660834_100000728582 [0,1,0,0,0,0|2,0,0]=3 2518 B16R2.252 Oc1cccc(c1)CSc2ccncn2 62a_100000703185_100011660834 [0,1,0,0,0,0|3,0,0]=4 2519 B16R2.252 Oc1cccc(c1)CSc2ccncn2 62a_100011660834_100000703185 [0,1,0,0,0,0|3,0,0]=4 2520 B16R2.252 Oc1cccc(c1)CSc2ccnnc2 62a_100000732662_100011660834 [0,1,0,0,0,0|3,0,0]=4 2521 B16R2.252 Oc1cccc(c1)CSc2ccnnc2 62a_100011660834_100000732662 [0,1,0,0,0,0|3,0,0]=4 2522 B16R2.252 Oc1cccc(c1)CSc2cnccn2 62a_100000211759_100011660834 [0,1,0,0,0,0|3,0,0]=4 2523 B16R2.252 Oc1cccc(c1)CSc2cnccn2 62a_100011660834_100000211759 [0,1,0,0,0,0|3,0,0]=4 2524 B16R2.252 Oc1cccc(c1)CSc2cncnc2 62a_100011206942_100011660834 [0,1,0,0,0,0|3,0,0]=4 2525 B16R2.252 Oc1cccc(c1)CSc2cncnc2 62a_100011660834_100011206942 [0,1,0,0,0,0|3,0,0]=4 2526 B16R2.252 Oc1cccc(c1)CSc2ncccn2 62a_100000211032_100011660834 [0,1,0,0,0,0|3,0,0]=4 2527 B16R2.252 Oc1cccc(c1)CSc2ncccn2 62a_100011660834_100000211032 [0,1,0,0,0,0|3,0,0]=4 2528 B16R2.252 Oc1cccc(c1)NCc2ccccc2 270302a_100000210217_100015611070 [0,1,0,0,0,0|2,0,0]=3 2529 B16R2.252 Oc1cccc(c1)NCc2ccccc2 271570a_203496583355_100000224063 [0,1,0,0,0,0|2,0,0]=3 2530 B16R2.252 Oc1cccc(c1)NCc2ccccc2 34a_100000210217_100015291786 [0,1,0,0,0,0|2,0,0]=3 2531 B16R2.252 Oc1cccc(c1)NCc2ccccn2 270302a_100000210217_100000209966 [0,1,0,0,0,0|3,0,0]=4 2532 B16R2.252 Oc1cccc(c1)NCc2ccccn2 34a_100000210217_100000721315 [0,1,0,0,0,0|3,0,0]=4 2533 B16R2.252 Oc1cccc(c1)NCc2cccnc2 270302a_100000210217_100000209961 [0,1,0,0,0,0|3,0,0]=4 2534 B16R2.252 Oc1cccc(c1)NCc2cccnc2 34a_100000210217_100000733263 [0,1,0,0,0,0|3,0,0]=4 2535 B16R2.252 Oc1cccc(c1)OCc2ccccc2 271570a_203496583355_100000151840 [0,1,0,0,0,0|1,1,0]=3 2536 B16R2.252 Oc1cccc(c1)OCc2ccccn2 271570a_203496583355_200011214830 [0,1,0,0,0,0|2,1,0]=4 2537 B16R2.252 Oc1cccc(c1)SCc2ccccc2 271570a_203496583355_100103287807 [0,1,0,0,0,0|1,0,0]=2 2538 B16R2.252 Oc1cccc(c1)SCc2ccccc2 62a_100000211182_100000211634 [0,1,0,0,0,0|1,0,0]=2 2539 B16R2.252 Oc1cccc(c1)SCc2ccccn2 62a_100000721315_100000211634 [0,1,0,0,0,0|2,0,0]=3 2540 B16R2.252 Oc1cccc(c1)SCc2cccnc2 62a_100000741622_100000211634 [0,1,0,0,0,0|2,0,0]=3 2541 B16R2.252 Oc1cccc(c1)SCc2cccnn2 62a_100016990269_100000211634 [0,1,0,0,0,0|3,0,0]=4 2542 B16R2.252 Oc1cccc(c1)SCc2ccncc2 62a_100015193705_100000211634 [0,1,0,0,0,0|2,0,0]=3 2543 B16R2.252 Oc1cccc(c1)SCc2cnccn2 62a_100016995436_100000211634 [0,1,0,0,0,0|3,0,0]=4 2544 B16R2.252 Oc1cccc(c1)SCc2cncnc2 62a_100015196519_100000211634 [0,1,0,0,0,0|3,0,0]=4 2545 B16R2.252 Oc1cccc(c1)SCc2ncccn2 62a_100000703007_100000211634 [0,1,0,0,0,0|3,0,0]=4 2546 B16R2.252 Oc1cccc(n1)NCc2ccccc2 271570a_203496583355_200011960457 [0,1,0,0,0,0|3,0,0]=4 2547 B16R2.252 Oc1cccc(n1)OCc2ccccc2 271570a_203496583355_100011960212 [0,1,0,0,0,0|2,1,0]=4 2548 B16R2.252 Oc1ccnc(c1)C#Cc2ccccc2 271570a_100000069678_100000762945 [0,1,0,0,0,0|3,0,0]=4 2549 B16R2.252 Oc1ccnc(c1)C=Cc2ccccc2 271570a_100102527694_100000762945 [0,1,0,0,0,0|3,0,0]=4 2550 B16R2.252 Oc1ccnc(c1)OCc2ccccc2 271570a_203496583355_200010986176 [0,1,0,0,0,0|2,1,0]=4 2551 B16R2.252 Oc1ccnc(c1)SCc2ccccc2 271570a_203496583355_100042452854 [0,1,0,0,0,0|2,0,0]=3 2552 B16R2.252 Oc1ccnc(c1)SCc2ccccc2 62a_100000211182_100000762945 [0,1,0,0,0,0|2,0,0]=3 2553 B16R2.252 Oc1ccnc(c1)SCc2ccccn2 62a_100000721315_100000762945 [0,1,0,0,0,0|3,0,0]=4 2554 B16R2.252 Oc1ccnc(c1)SCc2cccnc2 62a_100000741622_100000762945 [0,1,0,0,0,0|3,0,0]=4 2555 B16R2.252 Oc1ccnc(c1)SCc2ccncc2 62a_100015193705_100000762945 [0,1,0,0,0,0|3,0,0]=4 2556 B16R2.252 Oc1ccnc(n1)SCc2ccccc2 62a_100000211182_100011649813 [0,1,0,0,0,0|3,0,0]=4 2557 B16R2.252 Oc1cncc(c1)C#Cc2ccccc2 271570a_100000069678_100000754920 [0,1,0,0,0,0|3,0,0]=4 2558 B16R2.252 Oc1cncc(c1)C=Cc2ccccc2 271570a_100102527694_100000754920 [0,1,0,0,0,0|3,0,0]=4 2559 B16R2.252 Oc1cncc(c1)CNc2ccccc2 207a_100000106764_100012187055 [0,1,0,0,0,0|3,0,0]=4 2560 B16R2.252 Oc1cncc(c1)OCc2ccccc2 271570a_203496583355_100012029532 [0,1,0,0,0,0|2,1,0]=4 2561 B16R2.252 Oc1cncc(c1)SCc2ccccc2 62a_100000211182_100000754920 [0,1,0,0,0,0|2,0,0]=3 2562 B16R2.252 Oc1cncc(c1)SCc2ccccc2 62a_100000754920_100015291786 [0,1,0,0,0,0|2,0,0]=3 2563 B16R2.252 Oc1cncc(c1)SCc2ccccn2 62a_100000721315_100000754920 [0,1,0,0,0,0|3,0,0]=4 2564 B16R2.252 Oc1cncc(c1)SCc2ccccn2 62a_100000754920_100000721315 [0,1,0,0,0,0|3,0,0]=4 2565 B16R2.252 Oc1cncc(c1)SCc2cccnc2 62a_100000741622_100000754920 [0,1,0,0,0,0|3,0,0]=4 2566 B16R2.252 Oc1cncc(c1)SCc2cccnc2 62a_100000754920_100000741622 [0,1,0,0,0,0|3,0,0]=4 2567 B16R2.252 Oc1cncc(c1)SCc2ccncc2 62a_100000754920_100015193705 [0,1,0,0,0,0|3,0,0]=4 2568 B16R2.252 Oc1cncc(c1)SCc2ccncc2 62a_100015193705_100000754920 [0,1,0,0,0,0|3,0,0]=4 2569 B16R2.252 Oc1cncc(n1)SCc2ccccc2 62a_100000211182_100011269956 [0,1,0,0,0,0|3,0,0]=4 2570 B16R2.252 Oc1cnnc(c1)SCc2ccccc2 62a_100000211182_200010734679 [0,1,0,0,0,0|3,0,0]=4 2571 B16R2.252 [O-][n+]1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100009815978 [0,1,0,0,0,0|3,0,0]=4 2572 B16R2.252 [O-][n+]1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100009815978 [0,1,0,0,0,0|3,0,0]=4 2573 B16R2.252 [O-][n+]1cccc(c1)OCc2ccccc2 34a_100000039713_100015291786 [0,1,0,0,0,0|2,1,0]=4 2574 B16R2.252 [O-][n+]1cccc(c1)OCc2ccccc2 7a_100000039713_100000211182 [0,1,0,0,0,0|2,1,0]=4 2575 B16R2.252 [O-][n+]1cccc(c1)SCc2ccccc2 62a_100000211182_100009815978 [0,1,0,0,0,0|2,0,0]=3 2576 B16R2.252 [O-][n+]1cccc(c1)SCc2ccccn2 62a_100000721315_100009815978 [0,1,0,0,0,0|3,0,0]=4 2577 B16R2.252 [O-][n+]1cccc(c1)SCc2cccnc2 62a_100000741622_100009815978 [0,1,0,0,0,0|3,0,0]=4 2578 B16R2.252 [O-][n+]1cccc(c1)SCc2ccncc2 62a_100015193705_100009815978 [0,1,0,0,0,0|3,0,0]=4 2579 B16R2.252 [O-][n+]1ccnc(c1)SCc2ccccc2 62a_100000211182_100009880115 [0,1,0,0,0,0|3,0,0]=4 2580 B16R2.252 [S]c1cccc(c1)C#Cc2ccccc2 271570a_100000069678_114929384022 [0,1,0,0,0,0|2,0,0]=3 2581 B16R2.252 [S]c1cccc(c1)C=Cc2ccccc2 271570a_100102527694_114929384022 [0,1,0,0,0,0|2,0,0]=3 2582 B16R2.252 [S]c1cccc(c1)C=Cc2cccnc2 271570a_100102525586_114929384022 [0,1,0,0,0,0|3,0,0]=4 2583 B16R2.252 [S]c1cccc(c1)SCc2ccccc2 62a_100000211182_114929384022 [0,1,0,0,0,0|1,0,0]=2 2584 B16R2.252 [S]c1cccc(c1)SCc2ccccc2 62a_114929384022_100015291786 [0,1,0,0,0,0|1,0,0]=2 2585 B16R2.252 [S]c1cccc(c1)SCc2ccccn2 62a_100000721315_114929384022 [0,1,0,0,0,0|2,0,0]=3 2586 B16R2.252 [S]c1cccc(c1)SCc2ccccn2 62a_114929384022_100000721315 [0,1,0,0,0,0|2,0,0]=3 2587 B16R2.252 [S]c1cccc(c1)SCc2cccnc2 62a_100000741622_114929384022 [0,1,0,0,0,0|2,0,0]=3 2588 B16R2.252 [S]c1cccc(c1)SCc2cccnc2 62a_114929384022_100000741622 [0,1,0,0,0,0|2,0,0]=3 2589 B16R2.252 [S]c1cccc(c1)SCc2cccnn2 62a_100016990269_114929384022 [0,1,0,0,0,0|3,0,0]=4 2590 B16R2.252 [S]c1cccc(c1)SCc2cccnn2 62a_114929384022_100016990269 [0,1,0,0,0,0|3,0,0]=4 2591 B16R2.252 [S]c1cccc(c1)SCc2ccncc2 62a_100015193705_114929384022 [0,1,0,0,0,0|2,0,0]=3 2592 B16R2.252 [S]c1cccc(c1)SCc2ccncc2 62a_114929384022_100015193705 [0,1,0,0,0,0|2,0,0]=3 2593 B16R2.252 [S]c1cccc(c1)SCc2cnccn2 62a_100016995436_114929384022 [0,1,0,0,0,0|3,0,0]=4 2594 B16R2.252 [S]c1cccc(c1)SCc2cnccn2 62a_114929384022_100016995436 [0,1,0,0,0,0|3,0,0]=4 2595 B16R2.252 [S]c1cccc(c1)SCc2cncnc2 62a_100015196519_114929384022 [0,1,0,0,0,0|3,0,0]=4 2596 B16R2.252 [S]c1cccc(c1)SCc2cncnc2 62a_114929384022_100015196519 [0,1,0,0,0,0|3,0,0]=4 2597 B16R2.252 [S]c1cccc(c1)SCc2ncccn2 62a_100000703007_114929384022 [0,1,0,0,0,0|3,0,0]=4 2598 B16R2.252 [S]c1cccc(c1)SCc2ncccn2 62a_114929384022_100000703007 [0,1,0,0,0,0|3,0,0]=4 2599 B14R1.123 CC=CC=CC=NNc1ccccc1 4a_100015195140_100000691131 [0,0,1,0,0,0|2,0,1]=4 2600 B14R1.156 C=CC=CC(=O)CCc1ccccc1 1458a_100016291481_100000765856 [0,0,1,0,0,0|3,0,0]=4 2601 B14R1.156 C=CC=CC(=O)NCc1ccccc1 1626a_100015324214_100016291481 [0,0,1,0,0,0|3,0,0]=4 2602 B14R1.156 C=CC=CC(=O)NNc1ccccc1 22a_100015195140_100016291481 [0,0,1,0,0,0|3,0,0]=4 2603 B14R2.6 c1cc(ccn1)Sc2ccncc2 62a_100000728582_100000728582 [0,0,0,0,1,0|2,0,0]=3 2604 B14R2.6 c1cc(ccn1)Sc2ccncn2 62a_100000703185_100000728582 [0,0,0,0,1,0|3,0,0]=4 2605 B14R2.6 c1cc(ccn1)Sc2ccncn2 62a_100000728582_100000703185 [0,0,0,0,1,0|3,0,0]=4 2606 B14R2.6 c1cc(ccn1)Sc2ccnnc2 62a_100000728582_100000732662 [0,0,0,0,1,0|3,0,0]=4 2607 B14R2.6 c1cc(ccn1)Sc2ccnnc2 62a_100000732662_100000728582 [0,0,0,0,1,0|3,0,0]=4 2608 B14R2.6 c1cc(ccn1)Sc2cnccn2 62a_100000211759_100000728582 [0,0,0,0,1,0|3,0,0]=4 2609 B14R2.6 c1cc(ccn1)Sc2cnccn2 62a_100000728582_100000211759 [0,0,0,0,1,0|3,0,0]=4 2610 B14R2.6 c1cc(ccn1)Sc2cncnc2 62a_100000728582_100011206942 [0,0,0,0,1,0|3,0,0]=4 2611 B14R2.6 c1cc(ccn1)Sc2cncnc2 62a_100011206942_100000728582 [0,0,0,0,1,0|3,0,0]=4 2612 B14R2.6 c1ccc(cc1)Nc2cccnn2 27a_100000106764_100016991348 [0,0,0,0,1,0|3,0,0]=4 2613 B14R2.6 c1ccc(cc1)Nc2ccncn2 27a_100000106764_100000703185 [0,0,0,0,1,0|3,0,0]=4 2614 B14R2.6 c1ccc(cc1)Nc2cnccn2 27a_100000106764_100000211759 [0,0,0,0,1,0|3,0,0]=4 2615 B14R2.6 c1ccc(cc1)Nc2ncccn2 27a_100000106764_100000211032 [0,0,0,0,1,0|3,0,0]=4 2616 B14R2.6 c1ccc(cc1)Sc2ccccc2 62a_100000719477_100000041952 [0,0,0,0,1,0|0,0,0]=1 2617 B14R2.6 c1ccc(cc1)Sc2ccccn2 62a_100000719477_100011216584 [0,0,0,0,1,0|1,0,0]=2 2618 B14R2.6 c1ccc(cc1)Sc2ccccn2 62a_100011216584_100000041952 [0,0,0,0,1,0|1,0,0]=2 2619 B14R2.6 c1ccc(cc1)Sc2cccnc2 62a_100000210063_100000041952 [0,0,0,0,1,0|1,0,0]=2 2620 B14R2.6 c1ccc(cc1)Sc2cccnc2 62a_100000719477_100000210063 [0,0,0,0,1,0|1,0,0]=2 2621 B14R2.6 c1ccc(cc1)Sc2cccnn2 62a_100000719477_100016991348 [0,0,0,0,1,0|2,0,0]=3 2622 B14R2.6 c1ccc(cc1)Sc2cccnn2 62a_100016991348_100000041952 [0,0,0,0,1,0|2,0,0]=3 2623 B14R2.6 c1ccc(cc1)Sc2ccncc2 62a_100000719477_100000728582 [0,0,0,0,1,0|1,0,0]=2 2624 B14R2.6 c1ccc(cc1)Sc2ccncc2 62a_100000728582_100000041952 [0,0,0,0,1,0|1,0,0]=2 2625 B14R2.6 c1ccc(cc1)Sc2ccncn2 62a_100000703185_100000041952 [0,0,0,0,1,0|2,0,0]=3 2626 B14R2.6 c1ccc(cc1)Sc2ccncn2 62a_100000719477_100000703185 [0,0,0,0,1,0|2,0,0]=3 2627 B14R2.6 c1ccc(cc1)Sc2ccnnc2 62a_100000719477_100000732662 [0,0,0,0,1,0|2,0,0]=3 2628 B14R2.6 c1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000041952 [0,0,0,0,1,0|2,0,0]=3 2629 B14R2.6 c1ccc(cc1)Sc2cnccn2 62a_100000211759_100000041952 [0,0,0,0,1,0|2,0,0]=3 2630 B14R2.6 c1ccc(cc1)Sc2cnccn2 62a_100000719477_100000211759 [0,0,0,0,1,0|2,0,0]=3 2631 B14R2.6 c1ccc(cc1)Sc2cncnc2 62a_100000719477_100011206942 [0,0,0,0,1,0|2,0,0]=3 2632 B14R2.6 c1ccc(cc1)Sc2cncnc2 62a_100011206942_100000041952 [0,0,0,0,1,0|2,0,0]=3 2633 B14R2.6 c1ccc(cc1)Sc2cnnnc2 62a_100000719477_100009846058 [0,0,0,0,1,0|3,0,0]=4 2634 B14R2.6 c1ccc(cc1)Sc2cnnnc2 62a_100009846058_100000041952 [0,0,0,0,1,0|3,0,0]=4 2635 B14R2.6 c1ccc(cc1)Sc2ncccn2 62a_100000211032_100000041952 [0,0,0,0,1,0|2,0,0]=3 2636 B14R2.6 c1ccc(cc1)Sc2ncccn2 62a_100000719477_100000211032 [0,0,0,0,1,0|2,0,0]=3 2637 B14R2.6 c1ccc(nc1)Sc2ccccn2 62a_100011216584_100011216584 [0,0,0,0,1,0|2,0,0]=3 2638 B14R2.6 c1ccc(nc1)Sc2cccnc2 62a_100000210063_100011216584 [0,0,0,0,1,0|2,0,0]=3 2639 B14R2.6 c1ccc(nc1)Sc2cccnc2 62a_100011216584_100000210063 [0,0,0,0,1,0|2,0,0]=3 2640 B14R2.6 c1ccc(nc1)Sc2cccnn2 62a_100011216584_100016991348 [0,0,0,0,1,0|3,0,0]=4 2641 B14R2.6 c1ccc(nc1)Sc2cccnn2 62a_100016991348_100011216584 [0,0,0,0,1,0|3,0,0]=4 2642 B14R2.6 c1ccc(nc1)Sc2ccncc2 62a_100000728582_100011216584 [0,0,0,0,1,0|2,0,0]=3 2643 B14R2.6 c1ccc(nc1)Sc2ccncc2 62a_100011216584_100000728582 [0,0,0,0,1,0|2,0,0]=3 2644 B14R2.6 c1ccc(nc1)Sc2ccncn2 62a_100000703185_100011216584 [0,0,0,0,1,0|3,0,0]=4 2645 B14R2.6 c1ccc(nc1)Sc2ccncn2 62a_100011216584_100000703185 [0,0,0,0,1,0|3,0,0]=4 2646 B14R2.6 c1ccc(nc1)Sc2ccnnc2 62a_100000732662_100011216584 [0,0,0,0,1,0|3,0,0]=4 2647 B14R2.6 c1ccc(nc1)Sc2ccnnc2 62a_100011216584_100000732662 [0,0,0,0,1,0|3,0,0]=4 2648 B14R2.6 c1ccc(nc1)Sc2cnccn2 62a_100000211759_100011216584 [0,0,0,0,1,0|3,0,0]=4 2649 B14R2.6 c1ccc(nc1)Sc2cnccn2 62a_100011216584_100000211759 [0,0,0,0,1,0|3,0,0]=4 2650 B14R2.6 c1ccc(nc1)Sc2cncnc2 62a_100011206942_100011216584 [0,0,0,0,1,0|3,0,0]=4 2651 B14R2.6 c1ccc(nc1)Sc2cncnc2 62a_100011216584_100011206942 [0,0,0,0,1,0|3,0,0]=4 2652 B14R2.6 c1ccc(nc1)Sc2ncccn2 62a_100000211032_100011216584 [0,0,0,0,1,0|3,0,0]=4 2653 B14R2.6 c1ccc(nc1)Sc2ncccn2 62a_100011216584_100000211032 [0,0,0,0,1,0|3,0,0]=4 2654 B14R2.6 c1cnc(nc1)Sc2cccnc2 62a_100000210063_100000211032 [0,0,0,0,1,0|3,0,0]=4 2655 B14R2.6 c1cnc(nc1)Sc2cccnc2 62a_100000211032_100000210063 [0,0,0,0,1,0|3,0,0]=4 2656 B14R2.6 c1cnc(nc1)Sc2ccncc2 62a_100000211032_100000728582 [0,0,0,0,1,0|3,0,0]=4 2657 B14R2.6 c1cnc(nc1)Sc2ccncc2 62a_100000728582_100000211032 [0,0,0,0,1,0|3,0,0]=4 2658 B14R2.6 c1cncc(c1)Sc2cccnc2 62a_100000210063_100000210063 [0,0,0,0,1,0|2,0,0]=3 2659 B14R2.6 c1cncc(c1)Sc2cccnn2 62a_100000210063_100016991348 [0,0,0,0,1,0|3,0,0]=4 2660 B14R2.6 c1cncc(c1)Sc2cccnn2 62a_100016991348_100000210063 [0,0,0,0,1,0|3,0,0]=4 2661 B14R2.6 c1cncc(c1)Sc2ccncc2 62a_100000210063_100000728582 [0,0,0,0,1,0|2,0,0]=3 2662 B14R2.6 c1cncc(c1)Sc2ccncc2 62a_100000728582_100000210063 [0,0,0,0,1,0|2,0,0]=3 2663 B14R2.6 c1cncc(c1)Sc2ccncn2 62a_100000210063_100000703185 [0,0,0,0,1,0|3,0,0]=4 2664 B14R2.6 c1cncc(c1)Sc2ccncn2 62a_100000703185_100000210063 [0,0,0,0,1,0|3,0,0]=4 2665 B14R2.6 c1cncc(c1)Sc2ccnnc2 62a_100000210063_100000732662 [0,0,0,0,1,0|3,0,0]=4 2666 B14R2.6 c1cncc(c1)Sc2ccnnc2 62a_100000732662_100000210063 [0,0,0,0,1,0|3,0,0]=4 2667 B14R2.6 c1cncc(c1)Sc2cnccn2 62a_100000210063_100000211759 [0,0,0,0,1,0|3,0,0]=4 2668 B14R2.6 c1cncc(c1)Sc2cnccn2 62a_100000211759_100000210063 [0,0,0,0,1,0|3,0,0]=4 2669 B14R2.6 c1cncc(c1)Sc2cncnc2 62a_100000210063_100011206942 [0,0,0,0,1,0|3,0,0]=4 2670 B14R2.6 c1cncc(c1)Sc2cncnc2 62a_100011206942_100000210063 [0,0,0,0,1,0|3,0,0]=4 2671 B14R2.6 c1cnnc(c1)Sc2ccncc2 62a_100000728582_100016991348 [0,0,0,0,1,0|3,0,0]=4 2672 B14R2.6 c1cnnc(c1)Sc2ccncc2 62a_100016991348_100000728582 [0,0,0,0,1,0|3,0,0]=4 2673 B14R2.101 C(#Cc1ccco1)c2ccccc2 271570a_100000069678_100009814098 [0,0,0,0,1,0|3,0,0]=4 2674 B14R2.101 C(#Cc1cccs1)c2ccccc2 271570a_100000069678_100011215356 [0,0,0,0,1,0|3,0,0]=4 2675 B14R2.101 C(#Cc1ccoc1)c2ccccc2 271570a_100000069678_100011215275 [0,0,0,0,1,0|3,0,0]=4 2676 B14R2.101 C(#Cc1ccsc1)c2ccccc2 271570a_100000069678_100000738268 [0,0,0,0,1,0|3,0,0]=4 2677 B14R2.101 C(=Cc1ccco1)c2ccccc2 271570a_100102527694_100009814098 [0,0,0,0,1,0|3,0,0]=4 2678 B14R2.101 C(=Cc1cccs1)c2ccccc2 271570a_100102527694_100011215356 [0,0,0,0,1,0|3,0,0]=4 2679 B14R2.101 C(=Cc1ccoc1)c2ccccc2 271570a_100102527694_100011215275 [0,0,0,0,1,0|3,0,0]=4 2680 B14R2.101 C(=Cc1ccsc1)c2ccccc2 271570a_100102527694_100000738268 [0,0,0,0,1,0|3,0,0]=4 2681 B14R2.101 c1cc(ccn1)CSc2ccoc2 62a_100011215275_100015193705 [0,0,0,0,1,0|3,0,0]=4 2682 B14R2.101 c1cc(ccn1)CSc2ccoc2 62a_100015193705_100011215275 [0,0,0,0,1,0|3,0,0]=4 2683 B14R2.101 c1cc(ccn1)CSc2ccsc2 62a_100000738268_100015193705 [0,0,0,0,1,0|3,0,0]=4 2684 B14R2.101 c1cc(ccn1)CSc2ccsc2 62a_100015193705_100000738268 [0,0,0,0,1,0|3,0,0]=4 2685 B14R2.101 c1cc(ccn1)SCc2ccsc2 62a_100000728582_100011233845 [0,0,0,0,1,0|3,0,0]=4 2686 B14R2.101 c1cc(ccn1)SCc2ccsc2 62a_100011261437_100000728582 [0,0,0,0,1,0|3,0,0]=4 2687 B14R2.101 c1ccc(cc1)COc2ccsc2 34a_100000106738_100015291786 [0,0,0,0,1,0|2,1,0]=4 2688 B14R2.101 c1ccc(cc1)COc2ccsc2 7a_100000106738_100000211182 [0,0,0,0,1,0|2,1,0]=4 2689 B14R2.101 c1ccc(cc1)CSc2c[nH]cn2 62a_100000211182_100000756875 [0,0,0,0,1,0|3,0,0]=4 2690 B14R2.101 c1ccc(cc1)CSc2c[nH]cn2 62a_100000756875_100015291786 [0,0,0,0,1,0|3,0,0]=4 2691 B14R2.101 c1ccc(cc1)CSc2cc[nH]n2 62a_100000062575_100015291786 [0,0,0,0,1,0|3,0,0]=4 2692 B14R2.101 c1ccc(cc1)CSc2cc[nH]n2 62a_100000211182_100000062575 [0,0,0,0,1,0|3,0,0]=4 2693 B14R2.101 c1ccc(cc1)CSc2ccco2 62a_100000211182_100009814098 [0,0,0,0,1,0|2,0,0]=3 2694 B14R2.101 c1ccc(cc1)CSc2ccco2 62a_100009814098_100015291786 [0,0,0,0,1,0|2,0,0]=3 2695 B14R2.101 c1ccc(cc1)CSc2cccs2 62a_100000211182_100011215356 [0,0,0,0,1,0|2,0,0]=3 2696 B14R2.101 c1ccc(cc1)CSc2cccs2 62a_100011215356_100015291786 [0,0,0,0,1,0|2,0,0]=3 2697 B14R2.101 c1ccc(cc1)CSc2ccoc2 62a_100000211182_100011215275 [0,0,0,0,1,0|2,0,0]=3 2698 B14R2.101 c1ccc(cc1)CSc2ccoc2 62a_100011215275_100015291786 [0,0,0,0,1,0|2,0,0]=3 2699 B14R2.101 c1ccc(cc1)CSc2ccon2 62a_100000211182_100009818083 [0,0,0,0,1,0|3,0,0]=4 2700 B14R2.101 c1ccc(cc1)CSc2ccon2 62a_100009818083_100015291786 [0,0,0,0,1,0|3,0,0]=4 2701 B14R2.101 c1ccc(cc1)CSc2ccsc2 62a_100000211182_100000738268 [0,0,0,0,1,0|2,0,0]=3 2702 B14R2.101 c1ccc(cc1)CSc2ccsc2 62a_100000738268_100015291786 [0,0,0,0,1,0|2,0,0]=3 2703 B14R2.101 c1ccc(cc1)CSc2ccsn2 62a_100000211182_100009818082 [0,0,0,0,1,0|3,0,0]=4 2704 B14R2.101 c1ccc(cc1)CSc2ccsn2 62a_100009818082_100015291786 [0,0,0,0,1,0|3,0,0]=4 2705 B14R2.101 c1ccc(cc1)CSc2cn[nH]c2 62a_100000211182_100000238712 [0,0,0,0,1,0|3,0,0]=4 2706 B14R2.101 c1ccc(cc1)CSc2cn[nH]c2 62a_100000238712_100015291786 [0,0,0,0,1,0|3,0,0]=4 2707 B14R2.101 c1ccc(cc1)CSc2cnco2 62a_100000211182_100020591547 [0,0,0,0,1,0|3,0,0]=4 2708 B14R2.101 c1ccc(cc1)CSc2cnco2 62a_100020591547_100015291786 [0,0,0,0,1,0|3,0,0]=4 2709 B14R2.101 c1ccc(cc1)CSc2cncs2 62a_100000211182_100011934649 [0,0,0,0,1,0|3,0,0]=4 2710 B14R2.101 c1ccc(cc1)CSc2cncs2 62a_100011934649_100015291786 [0,0,0,0,1,0|3,0,0]=4 2711 B14R2.101 c1ccc(cc1)CSc2cnoc2 62a_100000211182_100009815712 [0,0,0,0,1,0|3,0,0]=4 2712 B14R2.101 c1ccc(cc1)CSc2cnoc2 62a_100009815712_100015291786 [0,0,0,0,1,0|3,0,0]=4 2713 B14R2.101 c1ccc(cc1)CSc2cnsc2 62a_100000211182_100009815736 [0,0,0,0,1,0|3,0,0]=4 2714 B14R2.101 c1ccc(cc1)CSc2cnsc2 62a_100009815736_100015291786 [0,0,0,0,1,0|3,0,0]=4 2715 B14R2.101 c1ccc(cc1)CSc2cscn2 62a_100000211182_100000751502 [0,0,0,0,1,0|3,0,0]=4 2716 B14R2.101 c1ccc(cc1)CSc2cscn2 62a_100000751502_100015291786 [0,0,0,0,1,0|3,0,0]=4 2717 B14R2.101 c1ccc(cc1)CSc2ncc[nH]2 62a_100000211182_100025796157 [0,0,0,0,1,0|3,0,0]=4 2718 B14R2.101 c1ccc(cc1)CSc2ncc[nH]2 62a_100025796157_100015291786 [0,0,0,0,1,0|3,0,0]=4 2719 B14R2.101 c1ccc(cc1)CSc2ncco2 62a_100000211182_100011787736 [0,0,0,0,1,0|3,0,0]=4 2720 B14R2.101 c1ccc(cc1)CSc2ncco2 62a_100011787736_100015291786 [0,0,0,0,1,0|3,0,0]=4 2721 B14R2.101 c1ccc(cc1)CSc2nccs2 62a_100000211182_100000211983 [0,0,0,0,1,0|3,0,0]=4 2722 B14R2.101 c1ccc(cc1)CSc2nccs2 62a_100000211983_100015291786 [0,0,0,0,1,0|3,0,0]=4 2723 B14R2.101 c1ccc(cc1)NCc2ccco2 207a_100000106764_100000186105 [0,0,0,0,1,0|3,0,0]=4 2724 B14R2.101 c1ccc(cc1)NCc2ccco2 270302a_100000106764_100000186105 [0,0,0,0,1,0|3,0,0]=4 2725 B14R2.101 c1ccc(cc1)NCc2cccs2 207a_100000106764_100000209959 [0,0,0,0,1,0|3,0,0]=4 2726 B14R2.101 c1ccc(cc1)NCc2cccs2 270302a_100000106764_100000209959 [0,0,0,0,1,0|3,0,0]=4 2727 B14R2.101 c1ccc(cc1)NCc2ccoc2 207a_100000106764_100011215517 [0,0,0,0,1,0|3,0,0]=4 2728 B14R2.101 c1ccc(cc1)NCc2ccsc2 207a_100000106764_100000188534 [0,0,0,0,1,0|3,0,0]=4 2729 B14R2.101 c1ccc(cc1)NCc2ccsc2 270302a_100000106764_100000188534 [0,0,0,0,1,0|3,0,0]=4 2730 B14R2.101 c1ccc(cc1)NCc2ccsc2 34a_100000106764_100011261437 [0,0,0,0,1,0|3,0,0]=4 2731 B14R2.101 c1ccc(cc1)OCc2ccsc2 34a_100000210340_100011261437 [0,0,0,0,1,0|2,1,0]=4 2732 B14R2.101 c1ccc(cc1)OCc2ccsc2 7a_100000210340_100011261437 [0,0,0,0,1,0|2,1,0]=4 2733 B14R2.101 c1ccc(cc1)SCc2c[nH]cn2 62a_100000707719_100000041952 [0,0,0,0,1,0|3,0,0]=4 2734 B14R2.101 c1ccc(cc1)SCc2c[nH]cn2 62a_100000719477_100000707719 [0,0,0,0,1,0|3,0,0]=4 2735 B14R2.101 c1ccc(cc1)SCc2ccn[nH]2 62a_100000719477_100000728653 [0,0,0,0,1,0|3,0,0]=4 2736 B14R2.101 c1ccc(cc1)SCc2ccn[nH]2 62a_100000728653_100000041952 [0,0,0,0,1,0|3,0,0]=4 2737 B14R2.101 c1ccc(cc1)SCc2ccon2 62a_100000234950_100000041952 [0,0,0,0,1,0|3,0,0]=4 2738 B14R2.101 c1ccc(cc1)SCc2ccon2 62a_100000719477_100000234950 [0,0,0,0,1,0|3,0,0]=4 2739 B14R2.101 c1ccc(cc1)SCc2ccsc2 62a_100000719477_100011233845 [0,0,0,0,1,0|2,0,0]=3 2740 B14R2.101 c1ccc(cc1)SCc2ccsc2 62a_100011261437_100000041952 [0,0,0,0,1,0|2,0,0]=3 2741 B14R2.101 c1ccc(cc1)SCc2cncs2 62a_100000719477_100015185245 [0,0,0,0,1,0|3,0,0]=4 2742 B14R2.101 c1ccc(cc1)SCc2cncs2 62a_100015185245_100000041952 [0,0,0,0,1,0|3,0,0]=4 2743 B14R2.101 c1ccc(cc1)SCc2cscn2 62a_100000205941_100000041952 [0,0,0,0,1,0|3,0,0]=4 2744 B14R2.101 c1ccc(cc1)SCc2cscn2 62a_100000719477_100000205941 [0,0,0,0,1,0|3,0,0]=4 2745 B14R2.101 c1ccc(cc1)SCc2ncc[nH]2 62a_100000719477_100016991755 [0,0,0,0,1,0|3,0,0]=4 2746 B14R2.101 c1ccc(cc1)SCc2ncc[nH]2 62a_100016991755_100000041952 [0,0,0,0,1,0|3,0,0]=4 2747 B14R2.101 c1ccc(cc1)SCc2ncco2 62a_100000719477_103436540062 [0,0,0,0,1,0|3,0,0]=4 2748 B14R2.101 c1ccc(cc1)SCc2ncco2 62a_103436540062_100000041952 [0,0,0,0,1,0|3,0,0]=4 2749 B14R2.101 c1ccc(cc1)SCc2nccs2 62a_100000719477_100015184050 [0,0,0,0,1,0|3,0,0]=4 2750 B14R2.101 c1ccc(cc1)SCc2nccs2 62a_100015184050_100000041952 [0,0,0,0,1,0|3,0,0]=4 2751 B14R2.101 c1ccc(nc1)CSc2ccco2 62a_100000721315_100009814098 [0,0,0,0,1,0|3,0,0]=4 2752 B14R2.101 c1ccc(nc1)CSc2ccco2 62a_100009814098_100000721315 [0,0,0,0,1,0|3,0,0]=4 2753 B14R2.101 c1ccc(nc1)CSc2cccs2 62a_100000721315_100011215356 [0,0,0,0,1,0|3,0,0]=4 2754 B14R2.101 c1ccc(nc1)CSc2cccs2 62a_100011215356_100000721315 [0,0,0,0,1,0|3,0,0]=4 2755 B14R2.101 c1ccc(nc1)CSc2ccoc2 62a_100000721315_100011215275 [0,0,0,0,1,0|3,0,0]=4 2756 B14R2.101 c1ccc(nc1)CSc2ccoc2 62a_100011215275_100000721315 [0,0,0,0,1,0|3,0,0]=4 2757 B14R2.101 c1ccc(nc1)CSc2ccsc2 62a_100000721315_100000738268 [0,0,0,0,1,0|3,0,0]=4 2758 B14R2.101 c1ccc(nc1)CSc2ccsc2 62a_100000738268_100000721315 [0,0,0,0,1,0|3,0,0]=4 2759 B14R2.101 c1ccc(nc1)SCc2ccsc2 62a_100011216584_100011233845 [0,0,0,0,1,0|3,0,0]=4 2760 B14R2.101 c1ccc(nc1)SCc2ccsc2 62a_100011261437_100011216584 [0,0,0,0,1,0|3,0,0]=4 2761 B14R2.101 c1cncc(c1)CSc2ccco2 62a_100000741622_100009814098 [0,0,0,0,1,0|3,0,0]=4 2762 B14R2.101 c1cncc(c1)CSc2ccco2 62a_100009814098_100000741622 [0,0,0,0,1,0|3,0,0]=4 2763 B14R2.101 c1cncc(c1)CSc2cccs2 62a_100000741622_100011215356 [0,0,0,0,1,0|3,0,0]=4 2764 B14R2.101 c1cncc(c1)CSc2cccs2 62a_100011215356_100000741622 [0,0,0,0,1,0|3,0,0]=4 2765 B14R2.101 c1cncc(c1)CSc2ccoc2 62a_100000741622_100011215275 [0,0,0,0,1,0|3,0,0]=4 2766 B14R2.101 c1cncc(c1)CSc2ccoc2 62a_100011215275_100000741622 [0,0,0,0,1,0|3,0,0]=4 2767 B14R2.101 c1cncc(c1)CSc2ccsc2 62a_100000738268_100000741622 [0,0,0,0,1,0|3,0,0]=4 2768 B14R2.101 c1cncc(c1)CSc2ccsc2 62a_100000741622_100000738268 [0,0,0,0,1,0|3,0,0]=4 2769 B14R2.101 c1cncc(c1)SCc2ccsc2 62a_100000210063_100011233845 [0,0,0,0,1,0|3,0,0]=4 2770 B14R2.101 c1cncc(c1)SCc2ccsc2 62a_100011261437_100000210063 [0,0,0,0,1,0|3,0,0]=4 2771 B14R2.101 c1coc(c1)SCc2ccncc2 62a_100009814098_100015193705 [0,0,0,0,1,0|3,0,0]=4 2772 B14R2.101 c1coc(c1)SCc2ccncc2 62a_100015193705_100009814098 [0,0,0,0,1,0|3,0,0]=4 2773 B14R2.101 c1csc(c1)SCc2ccncc2 62a_100011215356_100015193705 [0,0,0,0,1,0|3,0,0]=4 2774 B14R2.101 c1csc(c1)SCc2ccncc2 62a_100015193705_100011215356 [0,0,0,0,1,0|3,0,0]=4 2775 B16R2.2256 C(=Cc1ccccc1)Cc2ccccc2 271570a_200016263579_100000210277 [0,0,0,0,0,1|2,0,0]=3 2776 B16R2.2256 C(=Cc1ccccn1)Cc2ccccc2 271570a_200016263579_100011216584 [0,0,0,0,0,1|3,0,0]=4 2777 B16R2.2256 C(=Cc1cccnc1)Cc2ccccc2 271570a_200016263579_100000752921 [0,0,0,0,0,1|3,0,0]=4 2778 B16R2.2256 C(=Cc1ccncc1)Cc2ccccc2 271570a_200016263579_100000035832 [0,0,0,0,0,1|3,0,0]=4 2779 B16R2.2256 C(=NNc1ccccc1)c2ccccc2 4a_100015195140_100015611070 [0,0,0,0,0,1|2,0,0]=3 2780 B16R2.2256 C(=NNc1ccccc1)c2ccccn2 4a_100015195140_100000209966 [0,0,0,0,0,1|3,0,0]=4 2781 B16R2.2256 C(=NNc1ccccc1)c2cccnc2 4a_100015195140_100000209961 [0,0,0,0,0,1|3,0,0]=4 2782 B16R2.2256 C(=NNc1ccccc1)c2ccncc2 4a_100015195140_100000186114 [0,0,0,0,0,1|3,0,0]=4 2783 B16R2.2256 C(=NNc1ccccn1)c2ccccc2 4a_100000183288_100015611070 [0,0,0,0,0,1|3,0,0]=4 2784 B16R2.2256 C(=NNc1cccnc1)c2ccccc2 4a_100000728903_100015611070 [0,0,0,0,0,1|3,0,0]=4 2785 B16R2.2256 C(=NNc1ccncc1)c2ccccc2 4a_100000698918_100015611070 [0,0,0,0,0,1|3,0,0]=4 2786 B16R2.2256 c1cc(ccn1)CCSc2ccncc2 62a_100000723409_100000728582 [0,0,0,0,0,1|3,0,0]=4 2787 B16R2.2256 c1cc(ccn1)CCSc2ccncc2 62a_100000728582_100000723409 [0,0,0,0,0,1|3,0,0]=4 2788 B16R2.2256 c1cc(ccn1)CSCc2ccncc2 62a_100015193705_100015193705 [0,0,0,0,0,1|3,0,0]=4 2789 B16R2.2256 c1ccc(cc1)CCNc2ccccc2 34a_100000106764_100000765856 [0,0,0,0,0,1|2,0,0]=3 2790 B16R2.2256 c1ccc(cc1)CCOc2ccccc2 34a_100000210340_100000765856 [0,0,0,0,0,1|1,1,0]=3 2791 B16R2.2256 c1ccc(cc1)CCOc2ccccc2 7a_100000210340_100000765856 [0,0,0,0,0,1|1,1,0]=3 2792 B16R2.2256 c1ccc(cc1)CCOc2cccnc2 34a_100000210849_100000765856 [0,0,0,0,0,1|2,1,0]=4 2793 B16R2.2256 c1ccc(cc1)CCOc2cccnc2 7a_100000210849_100000765856 [0,0,0,0,0,1|2,1,0]=4 2794 B16R2.2256 c1ccc(cc1)CCOc2ccncc2 34a_100000212176_100000765856 [0,0,0,0,0,1|2,1,0]=4 2795 B16R2.2256 c1ccc(cc1)CCSc2ccccc2 62a_100000719477_100011218657 [0,0,0,0,0,1|1,0,0]=2 2796 B16R2.2256 c1ccc(cc1)CCSc2ccccc2 62a_100000765856_100000041952 [0,0,0,0,0,1|1,0,0]=2 2797 B16R2.2256 c1ccc(cc1)CCSc2ccccn2 62a_100000765856_100011216584 [0,0,0,0,0,1|2,0,0]=3 2798 B16R2.2256 c1ccc(cc1)CCSc2ccccn2 62a_100011216584_100011218657 [0,0,0,0,0,1|2,0,0]=3 2799 B16R2.2256 c1ccc(cc1)CCSc2cccnc2 62a_100000210063_100011218657 [0,0,0,0,0,1|2,0,0]=3 2800 B16R2.2256 c1ccc(cc1)CCSc2cccnc2 62a_100000765856_100000210063 [0,0,0,0,0,1|2,0,0]=3 2801 B16R2.2256 c1ccc(cc1)CCSc2cccnn2 62a_100000765856_100016991348 [0,0,0,0,0,1|3,0,0]=4 2802 B16R2.2256 c1ccc(cc1)CCSc2cccnn2 62a_100016991348_100011218657 [0,0,0,0,0,1|3,0,0]=4 2803 B16R2.2256 c1ccc(cc1)CCSc2ccncc2 62a_100000728582_100011218657 [0,0,0,0,0,1|2,0,0]=3 2804 B16R2.2256 c1ccc(cc1)CCSc2ccncc2 62a_100000765856_100000728582 [0,0,0,0,0,1|2,0,0]=3 2805 B16R2.2256 c1ccc(cc1)CCSc2ccncn2 62a_100000703185_100011218657 [0,0,0,0,0,1|3,0,0]=4 2806 B16R2.2256 c1ccc(cc1)CCSc2ccncn2 62a_100000765856_100000703185 [0,0,0,0,0,1|3,0,0]=4 2807 B16R2.2256 c1ccc(cc1)CCSc2ccnnc2 62a_100000732662_100011218657 [0,0,0,0,0,1|3,0,0]=4 2808 B16R2.2256 c1ccc(cc1)CCSc2ccnnc2 62a_100000765856_100000732662 [0,0,0,0,0,1|3,0,0]=4 2809 B16R2.2256 c1ccc(cc1)CCSc2cnccn2 62a_100000211759_100011218657 [0,0,0,0,0,1|3,0,0]=4 2810 B16R2.2256 c1ccc(cc1)CCSc2cnccn2 62a_100000765856_100000211759 [0,0,0,0,0,1|3,0,0]=4 2811 B16R2.2256 c1ccc(cc1)CCSc2cncnc2 62a_100000765856_100011206942 [0,0,0,0,0,1|3,0,0]=4 2812 B16R2.2256 c1ccc(cc1)CCSc2cncnc2 62a_100011206942_100011218657 [0,0,0,0,0,1|3,0,0]=4 2813 B16R2.2256 c1ccc(cc1)CCSc2ncccn2 62a_100000211032_100011218657 [0,0,0,0,0,1|3,0,0]=4 2814 B16R2.2256 c1ccc(cc1)CCSc2ncccn2 62a_100000765856_100000211032 [0,0,0,0,0,1|3,0,0]=4 2815 B16R2.2256 c1ccc(cc1)CNCc2ccccc2 207a_100015324214_100015611070 [0,0,0,0,0,1|2,0,0]=3 2816 B16R2.2256 c1ccc(cc1)CNCc2ccccc2 2230a_100015324214_100015291786 [0,0,0,0,0,1|2,0,0]=3 2817 B16R2.2256 c1ccc(cc1)CNCc2ccccc2 270004a_100015324214_100015611070 [0,0,0,0,0,1|2,0,0]=3 2818 B16R2.2256 c1ccc(cc1)CNCc2ccccc2 34a_100015324214_100015291786 [0,0,0,0,0,1|2,0,0]=3 2819 B16R2.2256 c1ccc(cc1)CNCc2ccccn2 207a_100015324214_100000209966 [0,0,0,0,0,1|3,0,0]=4 2820 B16R2.2256 c1ccc(cc1)CNCc2ccccn2 2230a_100015324214_100000721315 [0,0,0,0,0,1|3,0,0]=4 2821 B16R2.2256 c1ccc(cc1)CNCc2ccccn2 270004a_100000210449_100015611070 [0,0,0,0,0,1|3,0,0]=4 2822 B16R2.2256 c1ccc(cc1)CNCc2ccccn2 270004a_100015324214_100000209966 [0,0,0,0,0,1|3,0,0]=4 2823 B16R2.2256 c1ccc(cc1)CNCc2ccccn2 34a_100015324214_100000721315 [0,0,0,0,0,1|3,0,0]=4 2824 B16R2.2256 c1ccc(cc1)CNCc2cccnc2 207a_100000210453_100015611070 [0,0,0,0,0,1|3,0,0]=4 2825 B16R2.2256 c1ccc(cc1)CNCc2cccnc2 207a_100015324214_100000209961 [0,0,0,0,0,1|3,0,0]=4 2826 B16R2.2256 c1ccc(cc1)CNCc2cccnc2 2230a_100015324214_100000741622 [0,0,0,0,0,1|3,0,0]=4 2827 B16R2.2256 c1ccc(cc1)CNCc2cccnc2 270004a_100000210453_100015611070 [0,0,0,0,0,1|3,0,0]=4 2828 B16R2.2256 c1ccc(cc1)CNCc2cccnc2 270004a_100015324214_100000209961 [0,0,0,0,0,1|3,0,0]=4 2829 B16R2.2256 c1ccc(cc1)CNCc2cccnc2 34a_100015324214_100000733263 [0,0,0,0,0,1|3,0,0]=4 2830 B16R2.2256 c1ccc(cc1)CNCc2ccncc2 207a_100015324214_100000186114 [0,0,0,0,0,1|3,0,0]=4 2831 B16R2.2256 c1ccc(cc1)CNCc2ccncc2 2230a_100015324214_100015193705 [0,0,0,0,0,1|3,0,0]=4 2832 B16R2.2256 c1ccc(cc1)COCc2ccccc2 34a_100000210790_100015291786 [0,0,0,0,0,1|1,1,0]=3 2833 B16R2.2256 c1ccc(cc1)COCc2ccccc2 7a_100000210790_100000211182 [0,0,0,0,0,1|1,1,0]=3 2834 B16R2.2256 c1ccc(cc1)COCc2ccccn2 34a_100000210790_100000721315 [0,0,0,0,0,1|2,1,0]=4 2835 B16R2.2256 c1ccc(cc1)COCc2ccccn2 7a_100000210790_100000721315 [0,0,0,0,0,1|2,1,0]=4 2836 B16R2.2256 c1ccc(cc1)COCc2cccnc2 34a_100000210790_100000733263 [0,0,0,0,0,1|2,1,0]=4 2837 B16R2.2256 c1ccc(cc1)COCc2cccnc2 7a_100000210790_100000741622 [0,0,0,0,0,1|2,1,0]=4 2838 B16R2.2256 c1ccc(cc1)COCc2ccncc2 7a_100000210790_100015193705 [0,0,0,0,0,1|2,1,0]=4 2839 B16R2.2256 c1ccc(cc1)CSCc2ccccc2 62a_100000211182_100015291786 [0,0,0,0,0,1|1,0,0]=2 2840 B16R2.2256 c1ccc(cc1)CSCc2ccccn2 62a_100000211182_100000721315 [0,0,0,0,0,1|2,0,0]=3 2841 B16R2.2256 c1ccc(cc1)CSCc2ccccn2 62a_100000721315_100015291786 [0,0,0,0,0,1|2,0,0]=3 2842 B16R2.2256 c1ccc(cc1)CSCc2cccnc2 62a_100000211182_100000741622 [0,0,0,0,0,1|2,0,0]=3 2843 B16R2.2256 c1ccc(cc1)CSCc2cccnc2 62a_100000741622_100015291786 [0,0,0,0,0,1|2,0,0]=3 2844 B16R2.2256 c1ccc(cc1)CSCc2cccnn2 62a_100000211182_100016990269 [0,0,0,0,0,1|3,0,0]=4 2845 B16R2.2256 c1ccc(cc1)CSCc2cccnn2 62a_100016990269_100015291786 [0,0,0,0,0,1|3,0,0]=4 2846 B16R2.2256 c1ccc(cc1)CSCc2ccncc2 62a_100000211182_100015193705 [0,0,0,0,0,1|2,0,0]=3 2847 B16R2.2256 c1ccc(cc1)CSCc2ccncc2 62a_100015193705_100015291786 [0,0,0,0,0,1|2,0,0]=3 2848 B16R2.2256 c1ccc(cc1)CSCc2cnccn2 62a_100000211182_100016995436 [0,0,0,0,0,1|3,0,0]=4 2849 B16R2.2256 c1ccc(cc1)CSCc2cnccn2 62a_100016995436_100015291786 [0,0,0,0,0,1|3,0,0]=4 2850 B16R2.2256 c1ccc(cc1)CSCc2cncnc2 62a_100000211182_100015196519 [0,0,0,0,0,1|3,0,0]=4 2851 B16R2.2256 c1ccc(cc1)CSCc2cncnc2 62a_100015196519_100015291786 [0,0,0,0,0,1|3,0,0]=4 2852 B16R2.2256 c1ccc(cc1)CSCc2ncccn2 62a_100000211182_100000703007 [0,0,0,0,0,1|3,0,0]=4 2853 B16R2.2256 c1ccc(cc1)CSCc2ncccn2 62a_100000703007_100015291786 [0,0,0,0,0,1|3,0,0]=4 2854 B16R2.2256 c1ccc(cc1)OCCc2ccccn2 7a_100000210340_100015183660 [0,0,0,0,0,1|2,1,0]=4 2855 B16R2.2256 c1ccc(cc1)OCCc2cccnc2 7a_100000210340_200011713674 [0,0,0,0,0,1|2,1,0]=4 2856 B16R2.2256 c1ccc(cc1)OCCc2ccncc2 7a_100000210340_100000723409 [0,0,0,0,0,1|2,1,0]=4 2857 B16R2.2256 c1ccc(cc1)SCCc2ccccn2 62a_100000719477_100015183660 [0,0,0,0,0,1|2,0,0]=3 2858 B16R2.2256 c1ccc(cc1)SCCc2ccccn2 62a_100015183660_100000041952 [0,0,0,0,0,1|2,0,0]=3 2859 B16R2.2256 c1ccc(cc1)SCCc2cccnc2 62a_100000719477_200011713674 [0,0,0,0,0,1|2,0,0]=3 2860 B16R2.2256 c1ccc(cc1)SCCc2cccnc2 62a_200011713674_100000041952 [0,0,0,0,0,1|2,0,0]=3 2861 B16R2.2256 c1ccc(cc1)SCCc2ccncc2 62a_100000719477_100000723409 [0,0,0,0,0,1|2,0,0]=3 2862 B16R2.2256 c1ccc(cc1)SCCc2ccncc2 62a_100000723409_100000041952 [0,0,0,0,0,1|2,0,0]=3 2863 B16R2.2256 c1ccc(cc1)SCSc2ccccc2 62a_100000719477_100011218342 [0,0,0,0,0,1|0,0,0]=1 2864 B16R2.2256 c1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000041952 [0,0,0,0,0,1|0,0,0]=1 2865 B16R2.2256 c1ccc(cc1)SCSc2ccccn2 62a_100011216584_100011218342 [0,0,0,0,0,1|1,0,0]=2 2866 B16R2.2256 c1ccc(cc1)SCSc2ccccn2 62a_100011218342_100011216584 [0,0,0,0,0,1|1,0,0]=2 2867 B16R2.2256 c1ccc(cc1)SCSc2cccnc2 62a_100000210063_100011218342 [0,0,0,0,0,1|1,0,0]=2 2868 B16R2.2256 c1ccc(cc1)SCSc2cccnc2 62a_100011218342_100000210063 [0,0,0,0,0,1|1,0,0]=2 2869 B16R2.2256 c1ccc(cc1)SCSc2cccnn2 62a_100011218342_100016991348 [0,0,0,0,0,1|2,0,0]=3 2870 B16R2.2256 c1ccc(cc1)SCSc2cccnn2 62a_100016991348_100011218342 [0,0,0,0,0,1|2,0,0]=3 2871 B16R2.2256 c1ccc(cc1)SCSc2ccncc2 62a_100000728582_100011218342 [0,0,0,0,0,1|1,0,0]=2 2872 B16R2.2256 c1ccc(cc1)SCSc2ccncc2 62a_100011218342_100000728582 [0,0,0,0,0,1|1,0,0]=2 2873 B16R2.2256 c1ccc(cc1)SCSc2ccncn2 62a_100000703185_100011218342 [0,0,0,0,0,1|2,0,0]=3 2874 B16R2.2256 c1ccc(cc1)SCSc2ccncn2 62a_100011218342_100000703185 [0,0,0,0,0,1|2,0,0]=3 2875 B16R2.2256 c1ccc(cc1)SCSc2ccnnc2 62a_100000732662_100011218342 [0,0,0,0,0,1|2,0,0]=3 2876 B16R2.2256 c1ccc(cc1)SCSc2ccnnc2 62a_100011218342_100000732662 [0,0,0,0,0,1|2,0,0]=3 2877 B16R2.2256 c1ccc(cc1)SCSc2cnccn2 62a_100000211759_100011218342 [0,0,0,0,0,1|2,0,0]=3 2878 B16R2.2256 c1ccc(cc1)SCSc2cnccn2 62a_100011218342_100000211759 [0,0,0,0,0,1|2,0,0]=3 2879 B16R2.2256 c1ccc(cc1)SCSc2cncnc2 62a_100011206942_100011218342 [0,0,0,0,0,1|2,0,0]=3 2880 B16R2.2256 c1ccc(cc1)SCSc2cncnc2 62a_100011218342_100011206942 [0,0,0,0,0,1|2,0,0]=3 2881 B16R2.2256 c1ccc(cc1)SCSc2cnnnc2 62a_100009846058_100011218342 [0,0,0,0,0,1|3,0,0]=4 2882 B16R2.2256 c1ccc(cc1)SCSc2cnnnc2 62a_100011218342_100009846058 [0,0,0,0,0,1|3,0,0]=4 2883 B16R2.2256 c1ccc(cc1)SCSc2ncccn2 62a_100000211032_100011218342 [0,0,0,0,0,1|2,0,0]=3 2884 B16R2.2256 c1ccc(cc1)SCSc2ncccn2 62a_100011218342_100000211032 [0,0,0,0,0,1|2,0,0]=3 2885 B16R2.2256 c1ccc(nc1)CCSc2ccccn2 62a_100011216584_100015183660 [0,0,0,0,0,1|3,0,0]=4 2886 B16R2.2256 c1ccc(nc1)CCSc2ccccn2 62a_100015183660_100011216584 [0,0,0,0,0,1|3,0,0]=4 2887 B16R2.2256 c1ccc(nc1)CCSc2cccnc2 62a_100000210063_100015183660 [0,0,0,0,0,1|3,0,0]=4 2888 B16R2.2256 c1ccc(nc1)CCSc2cccnc2 62a_100015183660_100000210063 [0,0,0,0,0,1|3,0,0]=4 2889 B16R2.2256 c1ccc(nc1)CCSc2ccncc2 62a_100000728582_100015183660 [0,0,0,0,0,1|3,0,0]=4 2890 B16R2.2256 c1ccc(nc1)CCSc2ccncc2 62a_100015183660_100000728582 [0,0,0,0,0,1|3,0,0]=4 2891 B16R2.2256 c1ccc(nc1)CSCc2ccccn2 62a_100000721315_100000721315 [0,0,0,0,0,1|3,0,0]=4 2892 B16R2.2256 c1ccc(nc1)CSCc2cccnc2 62a_100000721315_100000741622 [0,0,0,0,0,1|3,0,0]=4 2893 B16R2.2256 c1ccc(nc1)CSCc2cccnc2 62a_100000741622_100000721315 [0,0,0,0,0,1|3,0,0]=4 2894 B16R2.2256 c1ccc(nc1)CSCc2ccncc2 62a_100000721315_100015193705 [0,0,0,0,0,1|3,0,0]=4 2895 B16R2.2256 c1ccc(nc1)CSCc2ccncc2 62a_100015193705_100000721315 [0,0,0,0,0,1|3,0,0]=4 2896 B16R2.2256 c1ccc(nc1)SCCc2cccnc2 62a_100011216584_200011713674 [0,0,0,0,0,1|3,0,0]=4 2897 B16R2.2256 c1ccc(nc1)SCCc2cccnc2 62a_200011713674_100011216584 [0,0,0,0,0,1|3,0,0]=4 2898 B16R2.2256 c1ccc(nc1)SCCc2ccncc2 62a_100000723409_100011216584 [0,0,0,0,0,1|3,0,0]=4 2899 B16R2.2256 c1ccc(nc1)SCCc2ccncc2 62a_100011216584_100000723409 [0,0,0,0,0,1|3,0,0]=4 2900 B16R2.2256 c1cncc(c1)CCSc2cccnc2 62a_100000210063_200011713674 [0,0,0,0,0,1|3,0,0]=4 2901 B16R2.2256 c1cncc(c1)CCSc2cccnc2 62a_200011713674_100000210063 [0,0,0,0,0,1|3,0,0]=4 2902 B16R2.2256 c1cncc(c1)CCSc2ccncc2 62a_100000728582_200011713674 [0,0,0,0,0,1|3,0,0]=4 2903 B16R2.2256 c1cncc(c1)CCSc2ccncc2 62a_200011713674_100000728582 [0,0,0,0,0,1|3,0,0]=4 2904 B16R2.2256 c1cncc(c1)CSCc2cccnc2 62a_100000741622_100000741622 [0,0,0,0,0,1|3,0,0]=4 2905 B16R2.2256 c1cncc(c1)CSCc2ccncc2 62a_100000741622_100015193705 [0,0,0,0,0,1|3,0,0]=4 2906 B16R2.2256 c1cncc(c1)CSCc2ccncc2 62a_100015193705_100000741622 [0,0,0,0,0,1|3,0,0]=4 2907 B16R2.2256 c1cncc(c1)SCCc2ccncc2 62a_100000210063_100000723409 [0,0,0,0,0,1|3,0,0]=4 2908 B16R2.2256 c1cncc(c1)SCCc2ccncc2 62a_100000723409_100000210063 [0,0,0,0,0,1|3,0,0]=4 2909 B15R1.157 C=CC=CC(=O)CCSc1ccccc1 1458a_100016291481_100000246102 [0,1,1,0,0,0|1,0,1]=4 2910 B15R1.157 C=CC=CC(=O)CSCc1ccccc1 1458a_100016291481_200011217039 [0,1,1,0,0,0|1,0,1]=4 2911 B15R2.29 Brc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000752885 [0,1,0,0,1,0|0,0,0]=2 2912 B15R2.29 Brc1ccc(cc1)Sc2ccccc2 62a_100000752885_100000041952 [0,1,0,0,1,0|0,0,0]=2 2913 B15R2.29 Brc1ccc(cc1)Sc2ccccn2 62a_100000752885_100011216584 [0,1,0,0,1,0|1,0,0]=3 2914 B15R2.29 Brc1ccc(cc1)Sc2ccccn2 62a_100011216584_100000752885 [0,1,0,0,1,0|1,0,0]=3 2915 B15R2.29 Brc1ccc(cc1)Sc2cccnc2 62a_100000210063_100000752885 [0,1,0,0,1,0|1,0,0]=3 2916 B15R2.29 Brc1ccc(cc1)Sc2cccnc2 62a_100000752885_100000210063 [0,1,0,0,1,0|1,0,0]=3 2917 B15R2.29 Brc1ccc(cc1)Sc2cccnn2 62a_100000752885_100016991348 [0,1,0,0,1,0|2,0,0]=4 2918 B15R2.29 Brc1ccc(cc1)Sc2cccnn2 62a_100016991348_100000752885 [0,1,0,0,1,0|2,0,0]=4 2919 B15R2.29 Brc1ccc(cc1)Sc2ccncc2 62a_100000728582_100000752885 [0,1,0,0,1,0|1,0,0]=3 2920 B15R2.29 Brc1ccc(cc1)Sc2ccncc2 62a_100000752885_100000728582 [0,1,0,0,1,0|1,0,0]=3 2921 B15R2.29 Brc1ccc(cc1)Sc2ccncn2 62a_100000703185_100000752885 [0,1,0,0,1,0|2,0,0]=4 2922 B15R2.29 Brc1ccc(cc1)Sc2ccncn2 62a_100000752885_100000703185 [0,1,0,0,1,0|2,0,0]=4 2923 B15R2.29 Brc1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000752885 [0,1,0,0,1,0|2,0,0]=4 2924 B15R2.29 Brc1ccc(cc1)Sc2ccnnc2 62a_100000752885_100000732662 [0,1,0,0,1,0|2,0,0]=4 2925 B15R2.29 Brc1ccc(cc1)Sc2cnccn2 62a_100000211759_100000752885 [0,1,0,0,1,0|2,0,0]=4 2926 B15R2.29 Brc1ccc(cc1)Sc2cnccn2 62a_100000752885_100000211759 [0,1,0,0,1,0|2,0,0]=4 2927 B15R2.29 Brc1ccc(cc1)Sc2cncnc2 62a_100000752885_100011206942 [0,1,0,0,1,0|2,0,0]=4 2928 B15R2.29 Brc1ccc(cc1)Sc2cncnc2 62a_100011206942_100000752885 [0,1,0,0,1,0|2,0,0]=4 2929 B15R2.29 Brc1ccc(cc1)Sc2ncccn2 62a_100000211032_100000752885 [0,1,0,0,1,0|2,0,0]=4 2930 B15R2.29 Brc1ccc(cc1)Sc2ncccn2 62a_100000752885_100000211032 [0,1,0,0,1,0|2,0,0]=4 2931 B15R2.29 Brc1ccc(cn1)Sc2ccccc2 62a_100000719477_100009814638 [0,1,0,0,1,0|1,0,0]=3 2932 B15R2.29 Brc1ccc(cn1)Sc2ccccc2 62a_100009814638_100000041952 [0,1,0,0,1,0|1,0,0]=3 2933 B15R2.29 Brc1ccc(cn1)Sc2ccccn2 62a_100009814638_100011216584 [0,1,0,0,1,0|2,0,0]=4 2934 B15R2.29 Brc1ccc(cn1)Sc2ccccn2 62a_100011216584_100009814638 [0,1,0,0,1,0|2,0,0]=4 2935 B15R2.29 Brc1ccc(cn1)Sc2cccnc2 62a_100000210063_100009814638 [0,1,0,0,1,0|2,0,0]=4 2936 B15R2.29 Brc1ccc(cn1)Sc2cccnc2 62a_100009814638_100000210063 [0,1,0,0,1,0|2,0,0]=4 2937 B15R2.29 Brc1ccc(cn1)Sc2ccncc2 62a_100000728582_100009814638 [0,1,0,0,1,0|2,0,0]=4 2938 B15R2.29 Brc1ccc(cn1)Sc2ccncc2 62a_100009814638_100000728582 [0,1,0,0,1,0|2,0,0]=4 2939 B15R2.29 Brc1ccc(nc1)Nc2ccccc2 27a_100000106764_100000686858 [0,1,0,0,1,0|2,0,0]=4 2940 B15R2.29 Brc1ccc(nc1)Sc2ccccc2 62a_100000686858_100000041952 [0,1,0,0,1,0|1,0,0]=3 2941 B15R2.29 Brc1ccc(nc1)Sc2ccccc2 62a_100000719477_100000686858 [0,1,0,0,1,0|1,0,0]=3 2942 B15R2.29 Brc1ccc(nc1)Sc2ccccn2 62a_100000686858_100011216584 [0,1,0,0,1,0|2,0,0]=4 2943 B15R2.29 Brc1ccc(nc1)Sc2ccccn2 62a_100011216584_100000686858 [0,1,0,0,1,0|2,0,0]=4 2944 B15R2.29 Brc1ccc(nc1)Sc2cccnc2 62a_100000210063_100000686858 [0,1,0,0,1,0|2,0,0]=4 2945 B15R2.29 Brc1ccc(nc1)Sc2cccnc2 62a_100000686858_100000210063 [0,1,0,0,1,0|2,0,0]=4 2946 B15R2.29 Brc1ccc(nc1)Sc2ccncc2 62a_100000686858_100000728582 [0,1,0,0,1,0|2,0,0]=4 2947 B15R2.29 Brc1ccc(nc1)Sc2ccncc2 62a_100000728582_100000686858 [0,1,0,0,1,0|2,0,0]=4 2948 B15R2.29 Brc1cnc(cn1)Sc2ccccc2 62a_100000719477_100010187541 [0,1,0,0,1,0|2,0,0]=4 2949 B15R2.29 Brc1cnc(cn1)Sc2ccccc2 62a_100010187541_100000041952 [0,1,0,0,1,0|2,0,0]=4 2950 B15R2.29 Brc1cnc(nc1)Sc2ccccc2 62a_100000690281_100000041952 [0,1,0,0,1,0|2,0,0]=4 2951 B15R2.29 Brc1cnc(nc1)Sc2ccccc2 62a_100000719477_100000690281 [0,1,0,0,1,0|2,0,0]=4 2952 B15R2.29 Brc1ncc(cn1)Sc2ccccc2 62a_100000719477_200012349914 [0,1,0,0,1,0|2,0,0]=4 2953 B15R2.29 Brc1ncc(cn1)Sc2ccccc2 62a_200012349914_100000041952 [0,1,0,0,1,0|2,0,0]=4 2954 B15R2.29 Cc1ccc(cc1)Sc2ccccc2 62a_100000186775_100000041952 [0,1,0,0,1,0|0,0,0]=2 2955 B15R2.29 Cc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000186775 [0,1,0,0,1,0|0,0,0]=2 2956 B15R2.29 Cc1ccc(cc1)Sc2ccccn2 62a_100000186775_100011216584 [0,1,0,0,1,0|1,0,0]=3 2957 B15R2.29 Cc1ccc(cc1)Sc2ccccn2 62a_100011216584_100000186775 [0,1,0,0,1,0|1,0,0]=3 2958 B15R2.29 Cc1ccc(cc1)Sc2cccnc2 62a_100000186775_100000210063 [0,1,0,0,1,0|1,0,0]=3 2959 B15R2.29 Cc1ccc(cc1)Sc2cccnc2 62a_100000210063_100000186775 [0,1,0,0,1,0|1,0,0]=3 2960 B15R2.29 Cc1ccc(cc1)Sc2cccnn2 62a_100000186775_100016991348 [0,1,0,0,1,0|2,0,0]=4 2961 B15R2.29 Cc1ccc(cc1)Sc2cccnn2 62a_100016991348_100000186775 [0,1,0,0,1,0|2,0,0]=4 2962 B15R2.29 Cc1ccc(cc1)Sc2ccncc2 62a_100000186775_100000728582 [0,1,0,0,1,0|1,0,0]=3 2963 B15R2.29 Cc1ccc(cc1)Sc2ccncc2 62a_100000728582_100000186775 [0,1,0,0,1,0|1,0,0]=3 2964 B15R2.29 Cc1ccc(cc1)Sc2ccncn2 62a_100000186775_100000703185 [0,1,0,0,1,0|2,0,0]=4 2965 B15R2.29 Cc1ccc(cc1)Sc2ccncn2 62a_100000703185_100000186775 [0,1,0,0,1,0|2,0,0]=4 2966 B15R2.29 Cc1ccc(cc1)Sc2ccnnc2 62a_100000186775_100000732662 [0,1,0,0,1,0|2,0,0]=4 2967 B15R2.29 Cc1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000186775 [0,1,0,0,1,0|2,0,0]=4 2968 B15R2.29 Cc1ccc(cc1)Sc2cnccn2 62a_100000186775_100000211759 [0,1,0,0,1,0|2,0,0]=4 2969 B15R2.29 Cc1ccc(cc1)Sc2cnccn2 62a_100000211759_100000186775 [0,1,0,0,1,0|2,0,0]=4 2970 B15R2.29 Cc1ccc(cc1)Sc2cncnc2 62a_100000186775_100011206942 [0,1,0,0,1,0|2,0,0]=4 2971 B15R2.29 Cc1ccc(cc1)Sc2cncnc2 62a_100011206942_100000186775 [0,1,0,0,1,0|2,0,0]=4 2972 B15R2.29 Cc1ccc(cc1)Sc2ncccn2 62a_100000186775_100000211032 [0,1,0,0,1,0|2,0,0]=4 2973 B15R2.29 Cc1ccc(cc1)Sc2ncccn2 62a_100000211032_100000186775 [0,1,0,0,1,0|2,0,0]=4 2974 B15R2.29 Cc1ccc(cn1)Sc2ccccc2 62a_100000719477_100000751577 [0,1,0,0,1,0|1,0,0]=3 2975 B15R2.29 Cc1ccc(cn1)Sc2ccccc2 62a_100000751577_100000041952 [0,1,0,0,1,0|1,0,0]=3 2976 B15R2.29 Cc1ccc(cn1)Sc2ccccn2 62a_100000751577_100011216584 [0,1,0,0,1,0|2,0,0]=4 2977 B15R2.29 Cc1ccc(cn1)Sc2ccccn2 62a_100011216584_100000751577 [0,1,0,0,1,0|2,0,0]=4 2978 B15R2.29 Cc1ccc(cn1)Sc2cccnc2 62a_100000210063_100000751577 [0,1,0,0,1,0|2,0,0]=4 2979 B15R2.29 Cc1ccc(cn1)Sc2cccnc2 62a_100000751577_100000210063 [0,1,0,0,1,0|2,0,0]=4 2980 B15R2.29 Cc1ccc(cn1)Sc2ccncc2 62a_100000728582_100000751577 [0,1,0,0,1,0|2,0,0]=4 2981 B15R2.29 Cc1ccc(cn1)Sc2ccncc2 62a_100000751577_100000728582 [0,1,0,0,1,0|2,0,0]=4 2982 B15R2.29 Cc1ccc(nc1)Sc2ccccc2 62a_100000719477_100000754016 [0,1,0,0,1,0|1,0,0]=3 2983 B15R2.29 Cc1ccc(nc1)Sc2ccccc2 62a_100011192072_100000041952 [0,1,0,0,1,0|1,0,0]=3 2984 B15R2.29 Cc1ccc(nc1)Sc2ccccn2 62a_100011192072_100011216584 [0,1,0,0,1,0|2,0,0]=4 2985 B15R2.29 Cc1ccc(nc1)Sc2ccccn2 62a_100011216584_100000754016 [0,1,0,0,1,0|2,0,0]=4 2986 B15R2.29 Cc1ccc(nc1)Sc2cccnc2 62a_100000210063_100000754016 [0,1,0,0,1,0|2,0,0]=4 2987 B15R2.29 Cc1ccc(nc1)Sc2cccnc2 62a_100011192072_100000210063 [0,1,0,0,1,0|2,0,0]=4 2988 B15R2.29 Cc1ccc(nc1)Sc2ccncc2 62a_100000728582_100000754016 [0,1,0,0,1,0|2,0,0]=4 2989 B15R2.29 Cc1ccc(nc1)Sc2ccncc2 62a_100011192072_100000728582 [0,1,0,0,1,0|2,0,0]=4 2990 B15R2.29 Cc1ccc(nn1)Sc2ccccc2 62a_100000719477_100000744512 [0,1,0,0,1,0|2,0,0]=4 2991 B15R2.29 Cc1ccc(nn1)Sc2ccccc2 62a_100000744512_100000041952 [0,1,0,0,1,0|2,0,0]=4 2992 B15R2.29 Cc1cnc(cn1)Sc2ccccc2 62a_100000719477_100011999403 [0,1,0,0,1,0|2,0,0]=4 2993 B15R2.29 Cc1cnc(cn1)Sc2ccccc2 62a_100011999403_100000041952 [0,1,0,0,1,0|2,0,0]=4 2994 B15R2.29 Cc1cnc(nc1)Sc2ccccc2 62a_100000061069_100000041952 [0,1,0,0,1,0|2,0,0]=4 2995 B15R2.29 Cc1cnc(nc1)Sc2ccccc2 62a_100000719477_100000061069 [0,1,0,0,1,0|2,0,0]=4 2996 B15R2.29 Cc1ncc(cn1)Sc2ccccc2 62a_100000686985_100000041952 [0,1,0,0,1,0|2,0,0]=4 2997 B15R2.29 Cc1ncc(cn1)Sc2ccccc2 62a_100000719477_100000686985 [0,1,0,0,1,0|2,0,0]=4 2998 B15R2.29 Clc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000755918 [0,1,0,0,1,0|0,0,0]=2 2999 B15R2.29 Clc1ccc(cc1)Sc2ccccc2 62a_100000755918_100000041952 [0,1,0,0,1,0|0,0,0]=2 3000 B15R2.29 Clc1ccc(cc1)Sc2ccccn2 62a_100000755918_100011216584 [0,1,0,0,1,0|1,0,0]=3 3001 B15R2.29 Clc1ccc(cc1)Sc2ccccn2 62a_100011216584_100000755918 [0,1,0,0,1,0|1,0,0]=3 3002 B15R2.29 Clc1ccc(cc1)Sc2cccnc2 62a_100000210063_100000755918 [0,1,0,0,1,0|1,0,0]=3 3003 B15R2.29 Clc1ccc(cc1)Sc2cccnc2 62a_100000755918_100000210063 [0,1,0,0,1,0|1,0,0]=3 3004 B15R2.29 Clc1ccc(cc1)Sc2cccnn2 62a_100000755918_100016991348 [0,1,0,0,1,0|2,0,0]=4 3005 B15R2.29 Clc1ccc(cc1)Sc2cccnn2 62a_100016991348_100000755918 [0,1,0,0,1,0|2,0,0]=4 3006 B15R2.29 Clc1ccc(cc1)Sc2ccncc2 62a_100000728582_100000755918 [0,1,0,0,1,0|1,0,0]=3 3007 B15R2.29 Clc1ccc(cc1)Sc2ccncc2 62a_100000755918_100000728582 [0,1,0,0,1,0|1,0,0]=3 3008 B15R2.29 Clc1ccc(cc1)Sc2ccncn2 62a_100000703185_100000755918 [0,1,0,0,1,0|2,0,0]=4 3009 B15R2.29 Clc1ccc(cc1)Sc2ccncn2 62a_100000755918_100000703185 [0,1,0,0,1,0|2,0,0]=4 3010 B15R2.29 Clc1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000755918 [0,1,0,0,1,0|2,0,0]=4 3011 B15R2.29 Clc1ccc(cc1)Sc2ccnnc2 62a_100000755918_100000732662 [0,1,0,0,1,0|2,0,0]=4 3012 B15R2.29 Clc1ccc(cc1)Sc2cnccn2 62a_100000211759_100000755918 [0,1,0,0,1,0|2,0,0]=4 3013 B15R2.29 Clc1ccc(cc1)Sc2cnccn2 62a_100000755918_100000211759 [0,1,0,0,1,0|2,0,0]=4 3014 B15R2.29 Clc1ccc(cc1)Sc2cncnc2 62a_100000755918_100011206942 [0,1,0,0,1,0|2,0,0]=4 3015 B15R2.29 Clc1ccc(cc1)Sc2cncnc2 62a_100011206942_100000755918 [0,1,0,0,1,0|2,0,0]=4 3016 B15R2.29 Clc1ccc(cc1)Sc2ncccn2 62a_100000211032_100000755918 [0,1,0,0,1,0|2,0,0]=4 3017 B15R2.29 Clc1ccc(cc1)Sc2ncccn2 62a_100000755918_100000211032 [0,1,0,0,1,0|2,0,0]=4 3018 B15R2.29 Clc1ccc(cn1)Sc2ccccc2 62a_100000034144_100000041952 [0,1,0,0,1,0|1,0,0]=3 3019 B15R2.29 Clc1ccc(cn1)Sc2ccccc2 62a_100000719477_100000034144 [0,1,0,0,1,0|1,0,0]=3 3020 B15R2.29 Clc1ccc(cn1)Sc2ccccn2 62a_100000034144_100011216584 [0,1,0,0,1,0|2,0,0]=4 3021 B15R2.29 Clc1ccc(cn1)Sc2ccccn2 62a_100011216584_100000034144 [0,1,0,0,1,0|2,0,0]=4 3022 B15R2.29 Clc1ccc(cn1)Sc2cccnc2 62a_100000034144_100000210063 [0,1,0,0,1,0|2,0,0]=4 3023 B15R2.29 Clc1ccc(cn1)Sc2cccnc2 62a_100000210063_100000034144 [0,1,0,0,1,0|2,0,0]=4 3024 B15R2.29 Clc1ccc(cn1)Sc2ccncc2 62a_100000034144_100000728582 [0,1,0,0,1,0|2,0,0]=4 3025 B15R2.29 Clc1ccc(cn1)Sc2ccncc2 62a_100000728582_100000034144 [0,1,0,0,1,0|2,0,0]=4 3026 B15R2.29 Clc1ccc(nc1)Sc2ccccc2 62a_100000719477_100011356976 [0,1,0,0,1,0|1,0,0]=3 3027 B15R2.29 Clc1ccc(nc1)Sc2ccccc2 62a_100011356976_100000041952 [0,1,0,0,1,0|1,0,0]=3 3028 B15R2.29 Clc1ccc(nc1)Sc2ccccn2 62a_100011216584_100011356976 [0,1,0,0,1,0|2,0,0]=4 3029 B15R2.29 Clc1ccc(nc1)Sc2ccccn2 62a_100011356976_100011216584 [0,1,0,0,1,0|2,0,0]=4 3030 B15R2.29 Clc1ccc(nc1)Sc2cccnc2 62a_100000210063_100011356976 [0,1,0,0,1,0|2,0,0]=4 3031 B15R2.29 Clc1ccc(nc1)Sc2cccnc2 62a_100011356976_100000210063 [0,1,0,0,1,0|2,0,0]=4 3032 B15R2.29 Clc1ccc(nc1)Sc2ccncc2 62a_100000728582_100011356976 [0,1,0,0,1,0|2,0,0]=4 3033 B15R2.29 Clc1ccc(nc1)Sc2ccncc2 62a_100011356976_100000728582 [0,1,0,0,1,0|2,0,0]=4 3034 B15R2.29 Clc1ccc(nn1)Sc2ccccc2 62a_100000068654_100000041952 [0,1,0,0,1,0|2,0,0]=4 3035 B15R2.29 Clc1ccc(nn1)Sc2ccccc2 62a_100000719477_100000068654 [0,1,0,0,1,0|2,0,0]=4 3036 B15R2.29 Clc1cnc(cn1)Sc2ccccc2 62a_100000719477_100010214907 [0,1,0,0,1,0|2,0,0]=4 3037 B15R2.29 Clc1cnc(cn1)Sc2ccccc2 62a_100010214907_100000041952 [0,1,0,0,1,0|2,0,0]=4 3038 B15R2.29 Clc1cnc(nc1)Sc2ccccc2 62a_100000719477_100011356929 [0,1,0,0,1,0|2,0,0]=4 3039 B15R2.29 Clc1cnc(nc1)Sc2ccccc2 62a_100011356929_100000041952 [0,1,0,0,1,0|2,0,0]=4 3040 B15R2.29 Clc1ncc(cn1)Sc2ccccc2 62a_100000059775_100000041952 [0,1,0,0,1,0|2,0,0]=4 3041 B15R2.29 Clc1ncc(cn1)Sc2ccccc2 62a_100000719477_100000059775 [0,1,0,0,1,0|2,0,0]=4 3042 B15R2.29 Fc1ccc(cc1)Sc2ccccc2 62a_100000211213_100000041952 [0,1,0,0,1,0|0,0,0]=2 3043 B15R2.29 Fc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000211213 [0,1,0,0,1,0|0,0,0]=2 3044 B15R2.29 Fc1ccc(cc1)Sc2ccccn2 62a_100000211213_100011216584 [0,1,0,0,1,0|1,0,0]=3 3045 B15R2.29 Fc1ccc(cc1)Sc2ccccn2 62a_100011216584_100000211213 [0,1,0,0,1,0|1,0,0]=3 3046 B15R2.29 Fc1ccc(cc1)Sc2cccnc2 62a_100000210063_100000211213 [0,1,0,0,1,0|1,0,0]=3 3047 B15R2.29 Fc1ccc(cc1)Sc2cccnc2 62a_100000211213_100000210063 [0,1,0,0,1,0|1,0,0]=3 3048 B15R2.29 Fc1ccc(cc1)Sc2cccnn2 62a_100000211213_100016991348 [0,1,0,0,1,0|2,0,0]=4 3049 B15R2.29 Fc1ccc(cc1)Sc2cccnn2 62a_100016991348_100000211213 [0,1,0,0,1,0|2,0,0]=4 3050 B15R2.29 Fc1ccc(cc1)Sc2ccncc2 62a_100000211213_100000728582 [0,1,0,0,1,0|1,0,0]=3 3051 B15R2.29 Fc1ccc(cc1)Sc2ccncc2 62a_100000728582_100000211213 [0,1,0,0,1,0|1,0,0]=3 3052 B15R2.29 Fc1ccc(cc1)Sc2ccncn2 62a_100000211213_100000703185 [0,1,0,0,1,0|2,0,0]=4 3053 B15R2.29 Fc1ccc(cc1)Sc2ccncn2 62a_100000703185_100000211213 [0,1,0,0,1,0|2,0,0]=4 3054 B15R2.29 Fc1ccc(cc1)Sc2ccnnc2 62a_100000211213_100000732662 [0,1,0,0,1,0|2,0,0]=4 3055 B15R2.29 Fc1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000211213 [0,1,0,0,1,0|2,0,0]=4 3056 B15R2.29 Fc1ccc(cc1)Sc2cnccn2 62a_100000211213_100000211759 [0,1,0,0,1,0|2,0,0]=4 3057 B15R2.29 Fc1ccc(cc1)Sc2cnccn2 62a_100000211759_100000211213 [0,1,0,0,1,0|2,0,0]=4 3058 B15R2.29 Fc1ccc(cc1)Sc2cncnc2 62a_100000211213_100011206942 [0,1,0,0,1,0|2,0,0]=4 3059 B15R2.29 Fc1ccc(cc1)Sc2cncnc2 62a_100011206942_100000211213 [0,1,0,0,1,0|2,0,0]=4 3060 B15R2.29 Fc1ccc(cc1)Sc2ncccn2 62a_100000211032_100000211213 [0,1,0,0,1,0|2,0,0]=4 3061 B15R2.29 Fc1ccc(cc1)Sc2ncccn2 62a_100000211213_100000211032 [0,1,0,0,1,0|2,0,0]=4 3062 B15R2.29 Fc1ccc(cn1)Sc2ccccc2 62a_100000042367_100000041952 [0,1,0,0,1,0|1,0,0]=3 3063 B15R2.29 Fc1ccc(cn1)Sc2ccccc2 62a_100000719477_100000042367 [0,1,0,0,1,0|1,0,0]=3 3064 B15R2.29 Fc1ccc(cn1)Sc2ccccn2 62a_100000042367_100011216584 [0,1,0,0,1,0|2,0,0]=4 3065 B15R2.29 Fc1ccc(cn1)Sc2ccccn2 62a_100011216584_100000042367 [0,1,0,0,1,0|2,0,0]=4 3066 B15R2.29 Fc1ccc(cn1)Sc2cccnc2 62a_100000042367_100000210063 [0,1,0,0,1,0|2,0,0]=4 3067 B15R2.29 Fc1ccc(cn1)Sc2cccnc2 62a_100000210063_100000042367 [0,1,0,0,1,0|2,0,0]=4 3068 B15R2.29 Fc1ccc(cn1)Sc2ccncc2 62a_100000042367_100000728582 [0,1,0,0,1,0|2,0,0]=4 3069 B15R2.29 Fc1ccc(cn1)Sc2ccncc2 62a_100000728582_100000042367 [0,1,0,0,1,0|2,0,0]=4 3070 B15R2.29 Fc1ccc(nc1)Sc2ccccc2 62a_100000719477_100000744514 [0,1,0,0,1,0|1,0,0]=3 3071 B15R2.29 Fc1ccc(nc1)Sc2ccccc2 62a_100000744514_100000041952 [0,1,0,0,1,0|1,0,0]=3 3072 B15R2.29 Fc1ccc(nc1)Sc2ccccn2 62a_100000744514_100011216584 [0,1,0,0,1,0|2,0,0]=4 3073 B15R2.29 Fc1ccc(nc1)Sc2ccccn2 62a_100011216584_100000744514 [0,1,0,0,1,0|2,0,0]=4 3074 B15R2.29 Fc1ccc(nc1)Sc2cccnc2 62a_100000210063_100000744514 [0,1,0,0,1,0|2,0,0]=4 3075 B15R2.29 Fc1ccc(nc1)Sc2cccnc2 62a_100000744514_100000210063 [0,1,0,0,1,0|2,0,0]=4 3076 B15R2.29 Fc1ccc(nc1)Sc2ccncc2 62a_100000728582_100000744514 [0,1,0,0,1,0|2,0,0]=4 3077 B15R2.29 Fc1ccc(nc1)Sc2ccncc2 62a_100000744514_100000728582 [0,1,0,0,1,0|2,0,0]=4 3078 B15R2.29 Fc1cnc(cn1)Sc2ccccc2 62a_100000719477_100009856528 [0,1,0,0,1,0|2,0,0]=4 3079 B15R2.29 Fc1cnc(cn1)Sc2ccccc2 62a_100009856528_100000041952 [0,1,0,0,1,0|2,0,0]=4 3080 B15R2.29 Fc1cnc(nc1)Sc2ccccc2 62a_100000685220_100000041952 [0,1,0,0,1,0|2,0,0]=4 3081 B15R2.29 Fc1cnc(nc1)Sc2ccccc2 62a_100000719477_100000685220 [0,1,0,0,1,0|2,0,0]=4 3082 B15R2.29 Fc1ncc(cn1)Sc2ccccc2 62a_100000685262_100000041952 [0,1,0,0,1,0|2,0,0]=4 3083 B15R2.29 Fc1ncc(cn1)Sc2ccccc2 62a_100000719477_100000685262 [0,1,0,0,1,0|2,0,0]=4 3084 B15R2.29 Nc1ccc(cc1)Sc2ccccc2 62a_100000185761_100000041952 [0,1,0,0,1,0|0,0,0]=2 3085 B15R2.29 Nc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000185761 [0,1,0,0,1,0|0,0,0]=2 3086 B15R2.29 Nc1ccc(cc1)Sc2ccccn2 62a_100000185761_100011216584 [0,1,0,0,1,0|1,0,0]=3 3087 B15R2.29 Nc1ccc(cc1)Sc2ccccn2 62a_100011216584_100000185761 [0,1,0,0,1,0|1,0,0]=3 3088 B15R2.29 Nc1ccc(cc1)Sc2cccnc2 62a_100000185761_100000210063 [0,1,0,0,1,0|1,0,0]=3 3089 B15R2.29 Nc1ccc(cc1)Sc2cccnc2 62a_100000210063_100000185761 [0,1,0,0,1,0|1,0,0]=3 3090 B15R2.29 Nc1ccc(cc1)Sc2cccnn2 62a_100000185761_100016991348 [0,1,0,0,1,0|2,0,0]=4 3091 B15R2.29 Nc1ccc(cc1)Sc2cccnn2 62a_100016991348_100000185761 [0,1,0,0,1,0|2,0,0]=4 3092 B15R2.29 Nc1ccc(cc1)Sc2ccncc2 62a_100000185761_100000728582 [0,1,0,0,1,0|1,0,0]=3 3093 B15R2.29 Nc1ccc(cc1)Sc2ccncc2 62a_100000728582_100000185761 [0,1,0,0,1,0|1,0,0]=3 3094 B15R2.29 Nc1ccc(cc1)Sc2ccncn2 62a_100000185761_100000703185 [0,1,0,0,1,0|2,0,0]=4 3095 B15R2.29 Nc1ccc(cc1)Sc2ccncn2 62a_100000703185_100000185761 [0,1,0,0,1,0|2,0,0]=4 3096 B15R2.29 Nc1ccc(cc1)Sc2ccnnc2 62a_100000185761_100000732662 [0,1,0,0,1,0|2,0,0]=4 3097 B15R2.29 Nc1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000185761 [0,1,0,0,1,0|2,0,0]=4 3098 B15R2.29 Nc1ccc(cc1)Sc2cnccn2 62a_100000185761_100000211759 [0,1,0,0,1,0|2,0,0]=4 3099 B15R2.29 Nc1ccc(cc1)Sc2cnccn2 62a_100000211759_100000185761 [0,1,0,0,1,0|2,0,0]=4 3100 B15R2.29 Nc1ccc(cc1)Sc2cncnc2 62a_100000185761_100011206942 [0,1,0,0,1,0|2,0,0]=4 3101 B15R2.29 Nc1ccc(cc1)Sc2cncnc2 62a_100011206942_100000185761 [0,1,0,0,1,0|2,0,0]=4 3102 B15R2.29 Nc1ccc(cc1)Sc2ncccn2 62a_100000185761_100000211032 [0,1,0,0,1,0|2,0,0]=4 3103 B15R2.29 Nc1ccc(cc1)Sc2ncccn2 62a_100000211032_100000185761 [0,1,0,0,1,0|2,0,0]=4 3104 B15R2.29 Nc1ccc(cn1)Sc2ccccc2 62a_100000187370_100000041952 [0,1,0,0,1,0|1,0,0]=3 3105 B15R2.29 Nc1ccc(cn1)Sc2ccccc2 62a_100000719477_100000187370 [0,1,0,0,1,0|1,0,0]=3 3106 B15R2.29 Nc1ccc(cn1)Sc2ccccn2 62a_100000187370_100011216584 [0,1,0,0,1,0|2,0,0]=4 3107 B15R2.29 Nc1ccc(cn1)Sc2ccccn2 62a_100011216584_100000187370 [0,1,0,0,1,0|2,0,0]=4 3108 B15R2.29 Nc1ccc(cn1)Sc2cccnc2 62a_100000187370_100000210063 [0,1,0,0,1,0|2,0,0]=4 3109 B15R2.29 Nc1ccc(cn1)Sc2cccnc2 62a_100000210063_100000187370 [0,1,0,0,1,0|2,0,0]=4 3110 B15R2.29 Nc1ccc(cn1)Sc2ccncc2 62a_100000187370_100000728582 [0,1,0,0,1,0|2,0,0]=4 3111 B15R2.29 Nc1ccc(cn1)Sc2ccncc2 62a_100000728582_100000187370 [0,1,0,0,1,0|2,0,0]=4 3112 B15R2.29 Nc1ccc(nc1)Sc2ccccc2 62a_100000719477_100000737798 [0,1,0,0,1,0|1,0,0]=3 3113 B15R2.29 Nc1ccc(nc1)Sc2ccccc2 62a_100000737798_100000041952 [0,1,0,0,1,0|1,0,0]=3 3114 B15R2.29 Nc1ccc(nc1)Sc2ccccn2 62a_100000737798_100011216584 [0,1,0,0,1,0|2,0,0]=4 3115 B15R2.29 Nc1ccc(nc1)Sc2ccccn2 62a_100011216584_100000737798 [0,1,0,0,1,0|2,0,0]=4 3116 B15R2.29 Nc1ccc(nc1)Sc2cccnc2 62a_100000210063_100000737798 [0,1,0,0,1,0|2,0,0]=4 3117 B15R2.29 Nc1ccc(nc1)Sc2cccnc2 62a_100000737798_100000210063 [0,1,0,0,1,0|2,0,0]=4 3118 B15R2.29 Nc1ccc(nc1)Sc2ccncc2 62a_100000728582_100000737798 [0,1,0,0,1,0|2,0,0]=4 3119 B15R2.29 Nc1ccc(nc1)Sc2ccncc2 62a_100000737798_100000728582 [0,1,0,0,1,0|2,0,0]=4 3120 B15R2.29 Nc1ccc(nn1)Sc2ccccc2 62a_100000719477_100010219413 [0,1,0,0,1,0|2,0,0]=4 3121 B15R2.29 Nc1ccc(nn1)Sc2ccccc2 62a_100010219413_100000041952 [0,1,0,0,1,0|2,0,0]=4 3122 B15R2.29 Nc1cnc(cn1)Sc2ccccc2 62a_100000719477_100000744751 [0,1,0,0,1,0|2,0,0]=4 3123 B15R2.29 Nc1cnc(cn1)Sc2ccccc2 62a_100000744751_100000041952 [0,1,0,0,1,0|2,0,0]=4 3124 B15R2.29 Nc1cnc(nc1)Sc2ccccc2 62a_100000068403_100000041952 [0,1,0,0,1,0|2,0,0]=4 3125 B15R2.29 Nc1cnc(nc1)Sc2ccccc2 62a_100000719477_100000068403 [0,1,0,0,1,0|2,0,0]=4 3126 B15R2.29 Nc1ncc(cn1)Sc2ccccc2 62a_100000719477_100000766020 [0,1,0,0,1,0|2,0,0]=4 3127 B15R2.29 Nc1ncc(cn1)Sc2ccccc2 62a_100000766020_100000041952 [0,1,0,0,1,0|2,0,0]=4 3128 B15R2.29 O=c1ccc(c[nH]1)Sc2ccccc2 62a_100000212171_100000041952 [0,1,0,0,1,0|1,0,0]=3 3129 B15R2.29 O=c1ccc(c[nH]1)Sc2ccccc2 62a_100000719477_100000212171 [0,1,0,0,1,0|1,0,0]=3 3130 B15R2.29 O=c1ccc(c[nH]1)Sc2ccccn2 62a_100000212171_100011216584 [0,1,0,0,1,0|2,0,0]=4 3131 B15R2.29 O=c1ccc(c[nH]1)Sc2ccccn2 62a_100011216584_100000212171 [0,1,0,0,1,0|2,0,0]=4 3132 B15R2.29 O=c1ccc(c[nH]1)Sc2cccnc2 62a_100000210063_100000212171 [0,1,0,0,1,0|2,0,0]=4 3133 B15R2.29 O=c1ccc(c[nH]1)Sc2cccnc2 62a_100000212171_100000210063 [0,1,0,0,1,0|2,0,0]=4 3134 B15R2.29 O=c1ccc(c[nH]1)Sc2ccncc2 62a_100000212171_100000728582 [0,1,0,0,1,0|2,0,0]=4 3135 B15R2.29 O=c1ccc(c[nH]1)Sc2ccncc2 62a_100000728582_100000212171 [0,1,0,0,1,0|2,0,0]=4 3136 B15R2.29 O=c1ccc(n[nH]1)Sc2ccccc2 62a_100000719477_100009820020 [0,1,0,0,1,0|2,0,0]=4 3137 B15R2.29 O=c1ccc(n[nH]1)Sc2ccccc2 62a_100009820020_100000041952 [0,1,0,0,1,0|2,0,0]=4 3138 B15R2.29 O=c1ncc(c[nH]1)Sc2ccccc2 62a_100000719477_102495366499 [0,1,0,0,1,0|2,0,0]=4 3139 B15R2.29 O=c1ncc(c[nH]1)Sc2ccccc2 62a_102495366499_100000041952 [0,1,0,0,1,0|2,0,0]=4 3140 B15R2.29 Oc1cc[n+](cc1)Cc2ccccc2 271570a_203496583355_200011068538 [0,1,0,0,1,0|2,0,0]=4 3141 B15R2.29 Oc1ccc(cc1)Cc2ccccc2 271570a_203496583355_100011356940 [0,1,0,0,1,0|1,0,0]=3 3142 B15R2.29 Oc1ccc(cc1)Nc2ccccc2 271570a_203496583355_100009815781 [0,1,0,0,1,0|1,0,0]=3 3143 B15R2.29 Oc1ccc(cc1)Oc2ccccc2 271570a_203496583355_100011215699 [0,1,0,0,1,0|0,1,0]=3 3144 B15R2.29 Oc1ccc(cc1)Oc2ccccn2 271570a_203496583355_100000173464 [0,1,0,0,1,0|1,1,0]=4 3145 B15R2.29 Oc1ccc(cc1)Sc2ccccc2 62a_100000719477_100000185759 [0,1,0,0,1,0|0,0,0]=2 3146 B15R2.29 Oc1ccc(cc1)Sc2ccccn2 62a_100011216584_100000185759 [0,1,0,0,1,0|1,0,0]=3 3147 B15R2.29 Oc1ccc(cc1)Sc2cccnc2 62a_100000210063_100000185759 [0,1,0,0,1,0|1,0,0]=3 3148 B15R2.29 Oc1ccc(cc1)Sc2cccnn2 62a_100016991348_100000185759 [0,1,0,0,1,0|2,0,0]=4 3149 B15R2.29 Oc1ccc(cc1)Sc2ccncc2 62a_100000728582_100000185759 [0,1,0,0,1,0|1,0,0]=3 3150 B15R2.29 Oc1ccc(cc1)Sc2ccncn2 62a_100000703185_100000185759 [0,1,0,0,1,0|2,0,0]=4 3151 B15R2.29 Oc1ccc(cc1)Sc2ccnnc2 62a_100000732662_100000185759 [0,1,0,0,1,0|2,0,0]=4 3152 B15R2.29 Oc1ccc(cc1)Sc2cnccn2 62a_100000211759_100000185759 [0,1,0,0,1,0|2,0,0]=4 3153 B15R2.29 Oc1ccc(cc1)Sc2cncnc2 62a_100011206942_100000185759 [0,1,0,0,1,0|2,0,0]=4 3154 B15R2.29 Oc1ccc(cc1)Sc2ncccn2 62a_100000211032_100000185759 [0,1,0,0,1,0|2,0,0]=4 3155 B15R2.29 Oc1ccc(nc1)Oc2ccccc2 271570a_203496583355_200011465514 [0,1,0,0,1,0|1,1,0]=4 3156 B15R2.29 Oc1ccc(nc1)Sc2ccccc2 271570a_203496583355_100011465531 [0,1,0,0,1,0|1,0,0]=3 3157 B15R2.29 Oc1ccc(nc1)Sc2ccccc2 62a_100000685995_100000041952 [0,1,0,0,1,0|1,0,0]=3 3158 B15R2.29 Oc1ccc(nc1)Sc2ccccc2 62a_100000719477_100000744096 [0,1,0,0,1,0|1,0,0]=3 3159 B15R2.29 Oc1ccc(nc1)Sc2ccccn2 62a_100000685995_100011216584 [0,1,0,0,1,0|2,0,0]=4 3160 B15R2.29 Oc1ccc(nc1)Sc2ccccn2 62a_100011216584_100000744096 [0,1,0,0,1,0|2,0,0]=4 3161 B15R2.29 Oc1ccc(nc1)Sc2cccnc2 62a_100000210063_100000744096 [0,1,0,0,1,0|2,0,0]=4 3162 B15R2.29 Oc1ccc(nc1)Sc2cccnc2 62a_100000685995_100000210063 [0,1,0,0,1,0|2,0,0]=4 3163 B15R2.29 Oc1ccc(nc1)Sc2ccncc2 62a_100000685995_100000728582 [0,1,0,0,1,0|2,0,0]=4 3164 B15R2.29 Oc1ccc(nc1)Sc2ccncc2 62a_100000728582_100000744096 [0,1,0,0,1,0|2,0,0]=4 3165 B15R2.29 Oc1cnc(cn1)Sc2ccccc2 62a_100000719477_100015839800 [0,1,0,0,1,0|2,0,0]=4 3166 B15R2.29 Oc1cnc(cn1)Sc2ccccc2 62a_100011934580_100000041952 [0,1,0,0,1,0|2,0,0]=4 3167 B15R2.29 Oc1cnc(nc1)Sc2ccccc2 62a_100000719477_100000092845 [0,1,0,0,1,0|2,0,0]=4 3168 B15R2.29 Oc1cnc(nc1)Sc2ccccc2 62a_100000730009_100000041952 [0,1,0,0,1,0|2,0,0]=4 3169 B15R2.29 [O-][n+]1ccc(cc1)Sc2ccccc2 62a_100000719477_100000039755 [0,1,0,0,1,0|1,0,0]=3 3170 B15R2.29 [O-][n+]1ccc(cc1)Sc2ccccn2 62a_100011216584_100000039755 [0,1,0,0,1,0|2,0,0]=4 3171 B15R2.29 [O-][n+]1ccc(cc1)Sc2cccnc2 62a_100000210063_100000039755 [0,1,0,0,1,0|2,0,0]=4 3172 B15R2.29 [O-][n+]1ccc(cc1)Sc2ccncc2 62a_100000728582_100000039755 [0,1,0,0,1,0|2,0,0]=4 3173 B15R2.31 Brc1cc(ccn1)Sc2ccccc2 62a_100000719477_100009814637 [0,1,0,0,1,0|1,0,0]=3 3174 B15R2.31 Brc1cc(ccn1)Sc2ccccc2 62a_100009814637_100000041952 [0,1,0,0,1,0|1,0,0]=3 3175 B15R2.31 Brc1cc(ccn1)Sc2ccccn2 62a_100009814637_100011216584 [0,1,0,0,1,0|2,0,0]=4 3176 B15R2.31 Brc1cc(ccn1)Sc2ccccn2 62a_100011216584_100009814637 [0,1,0,0,1,0|2,0,0]=4 3177 B15R2.31 Brc1cc(ccn1)Sc2cccnc2 62a_100000210063_100009814637 [0,1,0,0,1,0|2,0,0]=4 3178 B15R2.31 Brc1cc(ccn1)Sc2cccnc2 62a_100009814637_100000210063 [0,1,0,0,1,0|2,0,0]=4 3179 B15R2.31 Brc1cc(ccn1)Sc2ccncc2 62a_100000728582_100009814637 [0,1,0,0,1,0|2,0,0]=4 3180 B15R2.31 Brc1cc(ccn1)Sc2ccncc2 62a_100009814637_100000728582 [0,1,0,0,1,0|2,0,0]=4 3181 B15R2.31 Brc1cccc(c1)Sc2ccccc2 62a_100000691529_100000041952 [0,1,0,0,1,0|0,0,0]=2 3182 B15R2.31 Brc1cccc(c1)Sc2ccccc2 62a_100000719477_100000691529 [0,1,0,0,1,0|0,0,0]=2 3183 B15R2.31 Brc1cccc(c1)Sc2ccccn2 62a_100000691529_100011216584 [0,1,0,0,1,0|1,0,0]=3 3184 B15R2.31 Brc1cccc(c1)Sc2ccccn2 62a_100011216584_100000691529 [0,1,0,0,1,0|1,0,0]=3 3185 B15R2.31 Brc1cccc(c1)Sc2cccnc2 62a_100000210063_100000691529 [0,1,0,0,1,0|1,0,0]=3 3186 B15R2.31 Brc1cccc(c1)Sc2cccnc2 62a_100000691529_100000210063 [0,1,0,0,1,0|1,0,0]=3 3187 B15R2.31 Brc1cccc(c1)Sc2cccnn2 62a_100000691529_100016991348 [0,1,0,0,1,0|2,0,0]=4 3188 B15R2.31 Brc1cccc(c1)Sc2cccnn2 62a_100016991348_100000691529 [0,1,0,0,1,0|2,0,0]=4 3189 B15R2.31 Brc1cccc(c1)Sc2ccncc2 62a_100000691529_100000728582 [0,1,0,0,1,0|1,0,0]=3 3190 B15R2.31 Brc1cccc(c1)Sc2ccncc2 62a_100000728582_100000691529 [0,1,0,0,1,0|1,0,0]=3 3191 B15R2.31 Brc1cccc(c1)Sc2ccncn2 62a_100000691529_100000703185 [0,1,0,0,1,0|2,0,0]=4 3192 B15R2.31 Brc1cccc(c1)Sc2ccncn2 62a_100000703185_100000691529 [0,1,0,0,1,0|2,0,0]=4 3193 B15R2.31 Brc1cccc(c1)Sc2ccnnc2 62a_100000691529_100000732662 [0,1,0,0,1,0|2,0,0]=4 3194 B15R2.31 Brc1cccc(c1)Sc2ccnnc2 62a_100000732662_100000691529 [0,1,0,0,1,0|2,0,0]=4 3195 B15R2.31 Brc1cccc(c1)Sc2cnccn2 62a_100000211759_100000691529 [0,1,0,0,1,0|2,0,0]=4 3196 B15R2.31 Brc1cccc(c1)Sc2cnccn2 62a_100000691529_100000211759 [0,1,0,0,1,0|2,0,0]=4 3197 B15R2.31 Brc1cccc(c1)Sc2cncnc2 62a_100000691529_100011206942 [0,1,0,0,1,0|2,0,0]=4 3198 B15R2.31 Brc1cccc(c1)Sc2cncnc2 62a_100011206942_100000691529 [0,1,0,0,1,0|2,0,0]=4 3199 B15R2.31 Brc1cccc(c1)Sc2ncccn2 62a_100000211032_100000691529 [0,1,0,0,1,0|2,0,0]=4 3200 B15R2.31 Brc1cccc(c1)Sc2ncccn2 62a_100000691529_100000211032 [0,1,0,0,1,0|2,0,0]=4 3201 B15R2.31 Brc1cccc(n1)Sc2ccccc2 62a_100000684672_100000041952 [0,1,0,0,1,0|1,0,0]=3 3202 B15R2.31 Brc1cccc(n1)Sc2ccccc2 62a_100000719477_100000684672 [0,1,0,0,1,0|1,0,0]=3 3203 B15R2.31 Brc1cccc(n1)Sc2ccccn2 62a_100000684672_100011216584 [0,1,0,0,1,0|2,0,0]=4 3204 B15R2.31 Brc1cccc(n1)Sc2ccccn2 62a_100011216584_100000684672 [0,1,0,0,1,0|2,0,0]=4 3205 B15R2.31 Brc1cccc(n1)Sc2cccnc2 62a_100000210063_100000684672 [0,1,0,0,1,0|2,0,0]=4 3206 B15R2.31 Brc1cccc(n1)Sc2cccnc2 62a_100000684672_100000210063 [0,1,0,0,1,0|2,0,0]=4 3207 B15R2.31 Brc1cccc(n1)Sc2ccncc2 62a_100000684672_100000728582 [0,1,0,0,1,0|2,0,0]=4 3208 B15R2.31 Brc1cccc(n1)Sc2ccncc2 62a_100000728582_100000684672 [0,1,0,0,1,0|2,0,0]=4 3209 B15R2.31 Brc1cncc(c1)Sc2ccccc2 62a_100000719477_100000728054 [0,1,0,0,1,0|1,0,0]=3 3210 B15R2.31 Brc1cncc(c1)Sc2ccccc2 62a_100000728054_100000041952 [0,1,0,0,1,0|1,0,0]=3 3211 B15R2.31 Brc1cncc(c1)Sc2ccccn2 62a_100000728054_100011216584 [0,1,0,0,1,0|2,0,0]=4 3212 B15R2.31 Brc1cncc(c1)Sc2ccccn2 62a_100011216584_100000728054 [0,1,0,0,1,0|2,0,0]=4 3213 B15R2.31 Brc1cncc(c1)Sc2cccnc2 62a_100000210063_100000728054 [0,1,0,0,1,0|2,0,0]=4 3214 B15R2.31 Brc1cncc(c1)Sc2cccnc2 62a_100000728054_100000210063 [0,1,0,0,1,0|2,0,0]=4 3215 B15R2.31 Brc1cncc(c1)Sc2ccncc2 62a_100000728054_100000728582 [0,1,0,0,1,0|2,0,0]=4 3216 B15R2.31 Brc1cncc(c1)Sc2ccncc2 62a_100000728582_100000728054 [0,1,0,0,1,0|2,0,0]=4 3217 B15R2.31 C[n+]1cccc(c1)Sc2ccccc2 62a_100000719477_100009996589 [0,1,0,0,1,0|1,0,0]=3 3218 B15R2.31 C[n+]1cccc(c1)Sc2ccccc2 62a_100009996589_100000041952 [0,1,0,0,1,0|1,0,0]=3 3219 B15R2.31 C[n+]1cccc(c1)Sc2ccccn2 62a_100009996589_100011216584 [0,1,0,0,1,0|2,0,0]=4 3220 B15R2.31 C[n+]1cccc(c1)Sc2ccccn2 62a_100011216584_100009996589 [0,1,0,0,1,0|2,0,0]=4 3221 B15R2.31 C[n+]1cccc(c1)Sc2cccnc2 62a_100000210063_100009996589 [0,1,0,0,1,0|2,0,0]=4 3222 B15R2.31 C[n+]1cccc(c1)Sc2cccnc2 62a_100009996589_100000210063 [0,1,0,0,1,0|2,0,0]=4 3223 B15R2.31 C[n+]1cccc(c1)Sc2ccncc2 62a_100000728582_100009996589 [0,1,0,0,1,0|2,0,0]=4 3224 B15R2.31 C[n+]1cccc(c1)Sc2ccncc2 62a_100009996589_100000728582 [0,1,0,0,1,0|2,0,0]=4 3225 B15R2.31 Cc1cc(ccn1)Nc2ccccc2 27a_100000106764_100000758586 [0,1,0,0,1,0|2,0,0]=4 3226 B15R2.31 Cc1cc(ccn1)Sc2ccccc2 62a_100000719477_100000758586 [0,1,0,0,1,0|1,0,0]=3 3227 B15R2.31 Cc1cc(ccn1)Sc2ccccc2 62a_100000758586_100000041952 [0,1,0,0,1,0|1,0,0]=3 3228 B15R2.31 Cc1cc(ccn1)Sc2ccccn2 62a_100000758586_100011216584 [0,1,0,0,1,0|2,0,0]=4 3229 B15R2.31 Cc1cc(ccn1)Sc2ccccn2 62a_100011216584_100000758586 [0,1,0,0,1,0|2,0,0]=4 3230 B15R2.31 Cc1cc(ccn1)Sc2cccnc2 62a_100000210063_100000758586 [0,1,0,0,1,0|2,0,0]=4 3231 B15R2.31 Cc1cc(ccn1)Sc2cccnc2 62a_100000758586_100000210063 [0,1,0,0,1,0|2,0,0]=4 3232 B15R2.31 Cc1cc(ccn1)Sc2ccncc2 62a_100000728582_100000758586 [0,1,0,0,1,0|2,0,0]=4 3233 B15R2.31 Cc1cc(ccn1)Sc2ccncc2 62a_100000758586_100000728582 [0,1,0,0,1,0|2,0,0]=4 3234 B15R2.31 Cc1cc(ncn1)Sc2ccccc2 62a_100000719477_100000744208 [0,1,0,0,1,0|2,0,0]=4 3235 B15R2.31 Cc1cc(ncn1)Sc2ccccc2 62a_100000744208_100000041952 [0,1,0,0,1,0|2,0,0]=4 3236 B15R2.31 Cc1cccc(c1)Sc2ccccc2 62a_100000719477_100011215228 [0,1,0,0,1,0|0,0,0]=2 3237 B15R2.31 Cc1cccc(c1)Sc2ccccc2 62a_100011215228_100000041952 [0,1,0,0,1,0|0,0,0]=2 3238 B15R2.31 Cc1cccc(c1)Sc2ccccn2 62a_100011215228_100011216584 [0,1,0,0,1,0|1,0,0]=3 3239 B15R2.31 Cc1cccc(c1)Sc2ccccn2 62a_100011216584_100011215228 [0,1,0,0,1,0|1,0,0]=3 3240 B15R2.31 Cc1cccc(c1)Sc2cccnc2 62a_100000210063_100011215228 [0,1,0,0,1,0|1,0,0]=3 3241 B15R2.31 Cc1cccc(c1)Sc2cccnc2 62a_100011215228_100000210063 [0,1,0,0,1,0|1,0,0]=3 3242 B15R2.31 Cc1cccc(c1)Sc2cccnn2 62a_100011215228_100016991348 [0,1,0,0,1,0|2,0,0]=4 3243 B15R2.31 Cc1cccc(c1)Sc2cccnn2 62a_100016991348_100011215228 [0,1,0,0,1,0|2,0,0]=4 3244 B15R2.31 Cc1cccc(c1)Sc2ccncc2 62a_100000728582_100011215228 [0,1,0,0,1,0|1,0,0]=3 3245 B15R2.31 Cc1cccc(c1)Sc2ccncc2 62a_100011215228_100000728582 [0,1,0,0,1,0|1,0,0]=3 3246 B15R2.31 Cc1cccc(c1)Sc2ccncn2 62a_100000703185_100011215228 [0,1,0,0,1,0|2,0,0]=4 3247 B15R2.31 Cc1cccc(c1)Sc2ccncn2 62a_100011215228_100000703185 [0,1,0,0,1,0|2,0,0]=4 3248 B15R2.31 Cc1cccc(c1)Sc2ccnnc2 62a_100000732662_100011215228 [0,1,0,0,1,0|2,0,0]=4 3249 B15R2.31 Cc1cccc(c1)Sc2ccnnc2 62a_100011215228_100000732662 [0,1,0,0,1,0|2,0,0]=4 3250 B15R2.31 Cc1cccc(c1)Sc2cnccn2 62a_100000211759_100011215228 [0,1,0,0,1,0|2,0,0]=4 3251 B15R2.31 Cc1cccc(c1)Sc2cnccn2 62a_100011215228_100000211759 [0,1,0,0,1,0|2,0,0]=4 3252 B15R2.31 Cc1cccc(c1)Sc2cncnc2 62a_100011206942_100011215228 [0,1,0,0,1,0|2,0,0]=4 3253 B15R2.31 Cc1cccc(c1)Sc2cncnc2 62a_100011215228_100011206942 [0,1,0,0,1,0|2,0,0]=4 3254 B15R2.31 Cc1cccc(c1)Sc2ncccn2 62a_100000211032_100011215228 [0,1,0,0,1,0|2,0,0]=4 3255 B15R2.31 Cc1cccc(c1)Sc2ncccn2 62a_100011215228_100000211032 [0,1,0,0,1,0|2,0,0]=4 3256 B15R2.31 Cc1cccc(n1)Sc2ccccc2 62a_100000719477_100000742759 [0,1,0,0,1,0|1,0,0]=3 3257 B15R2.31 Cc1cccc(n1)Sc2ccccc2 62a_100000742759_100000041952 [0,1,0,0,1,0|1,0,0]=3 3258 B15R2.31 Cc1cccc(n1)Sc2ccccn2 62a_100000742759_100011216584 [0,1,0,0,1,0|2,0,0]=4 3259 B15R2.31 Cc1cccc(n1)Sc2ccccn2 62a_100011216584_100000742759 [0,1,0,0,1,0|2,0,0]=4 3260 B15R2.31 Cc1cccc(n1)Sc2cccnc2 62a_100000210063_100000742759 [0,1,0,0,1,0|2,0,0]=4 3261 B15R2.31 Cc1cccc(n1)Sc2cccnc2 62a_100000742759_100000210063 [0,1,0,0,1,0|2,0,0]=4 3262 B15R2.31 Cc1cccc(n1)Sc2ccncc2 62a_100000728582_100000742759 [0,1,0,0,1,0|2,0,0]=4 3263 B15R2.31 Cc1cccc(n1)Sc2ccncc2 62a_100000742759_100000728582 [0,1,0,0,1,0|2,0,0]=4 3264 B15R2.31 Cc1ccnc(c1)Sc2ccccc2 62a_100000719477_100000750283 [0,1,0,0,1,0|1,0,0]=3 3265 B15R2.31 Cc1ccnc(c1)Sc2ccccc2 62a_100000750283_100000041952 [0,1,0,0,1,0|1,0,0]=3 3266 B15R2.31 Cc1ccnc(c1)Sc2ccccn2 62a_100000750283_100011216584 [0,1,0,0,1,0|2,0,0]=4 3267 B15R2.31 Cc1ccnc(c1)Sc2ccccn2 62a_100011216584_100000750283 [0,1,0,0,1,0|2,0,0]=4 3268 B15R2.31 Cc1ccnc(c1)Sc2cccnc2 62a_100000210063_100000750283 [0,1,0,0,1,0|2,0,0]=4 3269 B15R2.31 Cc1ccnc(c1)Sc2cccnc2 62a_100000750283_100000210063 [0,1,0,0,1,0|2,0,0]=4 3270 B15R2.31 Cc1ccnc(c1)Sc2ccncc2 62a_100000728582_100000750283 [0,1,0,0,1,0|2,0,0]=4 3271 B15R2.31 Cc1ccnc(c1)Sc2ccncc2 62a_100000750283_100000728582 [0,1,0,0,1,0|2,0,0]=4 3272 B15R2.31 Cc1ccnc(n1)Sc2ccccc2 62a_100000719477_100011243806 [0,1,0,0,1,0|2,0,0]=4 3273 B15R2.31 Cc1ccnc(n1)Sc2ccccc2 62a_100011243806_100000041952 [0,1,0,0,1,0|2,0,0]=4 3274 B15R2.31 Cc1cncc(c1)Sc2ccccc2 62a_100000719477_100000760492 [0,1,0,0,1,0|1,0,0]=3 3275 B15R2.31 Cc1cncc(c1)Sc2ccccc2 62a_100000760492_100000041952 [0,1,0,0,1,0|1,0,0]=3 3276 B15R2.31 Cc1cncc(c1)Sc2ccccn2 62a_100000760492_100011216584 [0,1,0,0,1,0|2,0,0]=4 3277 B15R2.31 Cc1cncc(c1)Sc2ccccn2 62a_100011216584_100000760492 [0,1,0,0,1,0|2,0,0]=4 3278 B15R2.31 Cc1cncc(c1)Sc2cccnc2 62a_100000210063_100000760492 [0,1,0,0,1,0|2,0,0]=4 3279 B15R2.31 Cc1cncc(c1)Sc2cccnc2 62a_100000760492_100000210063 [0,1,0,0,1,0|2,0,0]=4 3280 B15R2.31 Cc1cncc(c1)Sc2ccncc2 62a_100000728582_100000760492 [0,1,0,0,1,0|2,0,0]=4 3281 B15R2.31 Cc1cncc(c1)Sc2ccncc2 62a_100000760492_100000728582 [0,1,0,0,1,0|2,0,0]=4 3282 B15R2.31 Cc1cncc(n1)Sc2ccccc2 62a_100000719477_100000754123 [0,1,0,0,1,0|2,0,0]=4 3283 B15R2.31 Cc1cncc(n1)Sc2ccccc2 62a_100000754123_100000041952 [0,1,0,0,1,0|2,0,0]=4 3284 B15R2.31 Cc1cnnc(c1)Sc2ccccc2 62a_100000070100_100000041952 [0,1,0,0,1,0|2,0,0]=4 3285 B15R2.31 Cc1cnnc(c1)Sc2ccccc2 62a_100000719477_100000070100 [0,1,0,0,1,0|2,0,0]=4 3286 B15R2.31 Cc1nccc(n1)Sc2ccccc2 62a_100000719477_100000749937 [0,1,0,0,1,0|2,0,0]=4 3287 B15R2.31 Cc1nccc(n1)Sc2ccccc2 62a_100000749937_100000041952 [0,1,0,0,1,0|2,0,0]=4 3288 B15R2.31 Clc1cc(ccn1)Sc2ccccc2 62a_100000035001_100000041952 [0,1,0,0,1,0|1,0,0]=3 3289 B15R2.31 Clc1cc(ccn1)Sc2ccccc2 62a_100000719477_100000035001 [0,1,0,0,1,0|1,0,0]=3 3290 B15R2.31 Clc1cc(ccn1)Sc2ccccn2 62a_100000035001_100011216584 [0,1,0,0,1,0|2,0,0]=4 3291 B15R2.31 Clc1cc(ccn1)Sc2ccccn2 62a_100011216584_100000035001 [0,1,0,0,1,0|2,0,0]=4 3292 B15R2.31 Clc1cc(ccn1)Sc2cccnc2 62a_100000035001_100000210063 [0,1,0,0,1,0|2,0,0]=4 3293 B15R2.31 Clc1cc(ccn1)Sc2cccnc2 62a_100000210063_100000035001 [0,1,0,0,1,0|2,0,0]=4 3294 B15R2.31 Clc1cc(ccn1)Sc2ccncc2 62a_100000035001_100000728582 [0,1,0,0,1,0|2,0,0]=4 3295 B15R2.31 Clc1cc(ccn1)Sc2ccncc2 62a_100000728582_100000035001 [0,1,0,0,1,0|2,0,0]=4 3296 B15R2.31 Clc1cc(ncn1)Sc2ccccc2 62a_100000719477_100010161198 [0,1,0,0,1,0|2,0,0]=4 3297 B15R2.31 Clc1cc(ncn1)Sc2ccccc2 62a_100010161198_100000041952 [0,1,0,0,1,0|2,0,0]=4 3298 B15R2.31 Clc1cccc(c1)Sc2ccccc2 62a_100000699651_100000041952 [0,1,0,0,1,0|0,0,0]=2 3299 B15R2.31 Clc1cccc(c1)Sc2ccccc2 62a_100000719477_100000699651 [0,1,0,0,1,0|0,0,0]=2 3300 B15R2.31 Clc1cccc(c1)Sc2ccccn2 62a_100000699651_100011216584 [0,1,0,0,1,0|1,0,0]=3 3301 B15R2.31 Clc1cccc(c1)Sc2ccccn2 62a_100011216584_100000699651 [0,1,0,0,1,0|1,0,0]=3 3302 B15R2.31 Clc1cccc(c1)Sc2cccnc2 62a_100000210063_100000699651 [0,1,0,0,1,0|1,0,0]=3 3303 B15R2.31 Clc1cccc(c1)Sc2cccnc2 62a_100000699651_100000210063 [0,1,0,0,1,0|1,0,0]=3 3304 B15R2.31 Clc1cccc(c1)Sc2cccnn2 62a_100000699651_100016991348 [0,1,0,0,1,0|2,0,0]=4 3305 B15R2.31 Clc1cccc(c1)Sc2cccnn2 62a_100016991348_100000699651 [0,1,0,0,1,0|2,0,0]=4 3306 B15R2.31 Clc1cccc(c1)Sc2ccncc2 62a_100000699651_100000728582 [0,1,0,0,1,0|1,0,0]=3 3307 B15R2.31 Clc1cccc(c1)Sc2ccncc2 62a_100000728582_100000699651 [0,1,0,0,1,0|1,0,0]=3 3308 B15R2.31 Clc1cccc(c1)Sc2ccncn2 62a_100000699651_100000703185 [0,1,0,0,1,0|2,0,0]=4 3309 B15R2.31 Clc1cccc(c1)Sc2ccncn2 62a_100000703185_100000699651 [0,1,0,0,1,0|2,0,0]=4 3310 B15R2.31 Clc1cccc(c1)Sc2ccnnc2 62a_100000699651_100000732662 [0,1,0,0,1,0|2,0,0]=4 3311 B15R2.31 Clc1cccc(c1)Sc2ccnnc2 62a_100000732662_100000699651 [0,1,0,0,1,0|2,0,0]=4 3312 B15R2.31 Clc1cccc(c1)Sc2cnccn2 62a_100000211759_100000699651 [0,1,0,0,1,0|2,0,0]=4 3313 B15R2.31 Clc1cccc(c1)Sc2cnccn2 62a_100000699651_100000211759 [0,1,0,0,1,0|2,0,0]=4 3314 B15R2.31 Clc1cccc(c1)Sc2cncnc2 62a_100000699651_100011206942 [0,1,0,0,1,0|2,0,0]=4 3315 B15R2.31 Clc1cccc(c1)Sc2cncnc2 62a_100011206942_100000699651 [0,1,0,0,1,0|2,0,0]=4 3316 B15R2.31 Clc1cccc(c1)Sc2ncccn2 62a_100000211032_100000699651 [0,1,0,0,1,0|2,0,0]=4 3317 B15R2.31 Clc1cccc(c1)Sc2ncccn2 62a_100000699651_100000211032 [0,1,0,0,1,0|2,0,0]=4 3318 B15R2.31 Clc1cccc(n1)Sc2ccccc2 62a_100000051397_100000041952 [0,1,0,0,1,0|1,0,0]=3 3319 B15R2.31 Clc1cccc(n1)Sc2ccccc2 62a_100000719477_100000051397 [0,1,0,0,1,0|1,0,0]=3 3320 B15R2.31 Clc1cccc(n1)Sc2ccccn2 62a_100000051397_100011216584 [0,1,0,0,1,0|2,0,0]=4 3321 B15R2.31 Clc1cccc(n1)Sc2ccccn2 62a_100011216584_100000051397 [0,1,0,0,1,0|2,0,0]=4 3322 B15R2.31 Clc1cccc(n1)Sc2cccnc2 62a_100000051397_100000210063 [0,1,0,0,1,0|2,0,0]=4 3323 B15R2.31 Clc1cccc(n1)Sc2cccnc2 62a_100000210063_100000051397 [0,1,0,0,1,0|2,0,0]=4 3324 B15R2.31 Clc1cccc(n1)Sc2ccncc2 62a_100000051397_100000728582 [0,1,0,0,1,0|2,0,0]=4 3325 B15R2.31 Clc1cccc(n1)Sc2ccncc2 62a_100000728582_100000051397 [0,1,0,0,1,0|2,0,0]=4 3326 B15R2.31 Clc1ccnc(c1)Sc2ccccc2 62a_100000719477_100010167805 [0,1,0,0,1,0|1,0,0]=3 3327 B15R2.31 Clc1ccnc(c1)Sc2ccccc2 62a_100010167805_100000041952 [0,1,0,0,1,0|1,0,0]=3 3328 B15R2.31 Clc1ccnc(c1)Sc2ccccn2 62a_100010167805_100011216584 [0,1,0,0,1,0|2,0,0]=4 3329 B15R2.31 Clc1ccnc(c1)Sc2ccccn2 62a_100011216584_100010167805 [0,1,0,0,1,0|2,0,0]=4 3330 B15R2.31 Clc1ccnc(c1)Sc2cccnc2 62a_100000210063_100010167805 [0,1,0,0,1,0|2,0,0]=4 3331 B15R2.31 Clc1ccnc(c1)Sc2cccnc2 62a_100010167805_100000210063 [0,1,0,0,1,0|2,0,0]=4 3332 B15R2.31 Clc1ccnc(c1)Sc2ccncc2 62a_100000728582_100010167805 [0,1,0,0,1,0|2,0,0]=4 3333 B15R2.31 Clc1ccnc(c1)Sc2ccncc2 62a_100010167805_100000728582 [0,1,0,0,1,0|2,0,0]=4 3334 B15R2.31 Clc1cncc(c1)Sc2ccccc2 62a_100000049639_100000041952 [0,1,0,0,1,0|1,0,0]=3 3335 B15R2.31 Clc1cncc(c1)Sc2ccccc2 62a_100000719477_100000049639 [0,1,0,0,1,0|1,0,0]=3 3336 B15R2.31 Clc1cncc(c1)Sc2ccccn2 62a_100000049639_100011216584 [0,1,0,0,1,0|2,0,0]=4 3337 B15R2.31 Clc1cncc(c1)Sc2ccccn2 62a_100011216584_100000049639 [0,1,0,0,1,0|2,0,0]=4 3338 B15R2.31 Clc1cncc(c1)Sc2cccnc2 62a_100000049639_100000210063 [0,1,0,0,1,0|2,0,0]=4 3339 B15R2.31 Clc1cncc(c1)Sc2cccnc2 62a_100000210063_100000049639 [0,1,0,0,1,0|2,0,0]=4 3340 B15R2.31 Clc1cncc(c1)Sc2ccncc2 62a_100000049639_100000728582 [0,1,0,0,1,0|2,0,0]=4 3341 B15R2.31 Clc1cncc(c1)Sc2ccncc2 62a_100000728582_100000049639 [0,1,0,0,1,0|2,0,0]=4 3342 B15R2.31 Clc1cncc(n1)Sc2ccccc2 62a_100000719477_100010892449 [0,1,0,0,1,0|2,0,0]=4 3343 B15R2.31 Clc1cncc(n1)Sc2ccccc2 62a_100010892449_100000041952 [0,1,0,0,1,0|2,0,0]=4 3344 B15R2.31 Clc1nccc(n1)Sc2ccccc2 62a_100000719477_100010154678 [0,1,0,0,1,0|2,0,0]=4 3345 B15R2.31 Clc1nccc(n1)Sc2ccccc2 62a_100010154678_100000041952 [0,1,0,0,1,0|2,0,0]=4 3346 B15R2.31 Fc1cc(ccn1)Nc2ccccc2 27a_100000106764_100009816116 [0,1,0,0,1,0|2,0,0]=4 3347 B15R2.31 Fc1cc(ccn1)Sc2ccccc2 62a_100000719477_100009816116 [0,1,0,0,1,0|1,0,0]=3 3348 B15R2.31 Fc1cc(ccn1)Sc2ccccc2 62a_100009816116_100000041952 [0,1,0,0,1,0|1,0,0]=3 3349 B15R2.31 Fc1cc(ccn1)Sc2ccccn2 62a_100009816116_100011216584 [0,1,0,0,1,0|2,0,0]=4 3350 B15R2.31 Fc1cc(ccn1)Sc2ccccn2 62a_100011216584_100009816116 [0,1,0,0,1,0|2,0,0]=4 3351 B15R2.31 Fc1cc(ccn1)Sc2cccnc2 62a_100000210063_100009816116 [0,1,0,0,1,0|2,0,0]=4 3352 B15R2.31 Fc1cc(ccn1)Sc2cccnc2 62a_100009816116_100000210063 [0,1,0,0,1,0|2,0,0]=4 3353 B15R2.31 Fc1cc(ccn1)Sc2ccncc2 62a_100000728582_100009816116 [0,1,0,0,1,0|2,0,0]=4 3354 B15R2.31 Fc1cc(ccn1)Sc2ccncc2 62a_100009816116_100000728582 [0,1,0,0,1,0|2,0,0]=4 3355 B15R2.31 Fc1cc(ncn1)Sc2ccccc2 62a_100000719477_200009880791 [0,1,0,0,1,0|2,0,0]=4 3356 B15R2.31 Fc1cc(ncn1)Sc2ccccc2 62a_200009880791_100000041952 [0,1,0,0,1,0|2,0,0]=4 3357 B15R2.31 Fc1cccc(c1)Sc2ccccc2 62a_100000685547_100000041952 [0,1,0,0,1,0|0,0,0]=2 3358 B15R2.31 Fc1cccc(c1)Sc2ccccc2 62a_100000719477_100000685547 [0,1,0,0,1,0|0,0,0]=2 3359 B15R2.31 Fc1cccc(c1)Sc2ccccn2 62a_100000685547_100011216584 [0,1,0,0,1,0|1,0,0]=3 3360 B15R2.31 Fc1cccc(c1)Sc2ccccn2 62a_100011216584_100000685547 [0,1,0,0,1,0|1,0,0]=3 3361 B15R2.31 Fc1cccc(c1)Sc2cccnc2 62a_100000210063_100000685547 [0,1,0,0,1,0|1,0,0]=3 3362 B15R2.31 Fc1cccc(c1)Sc2cccnc2 62a_100000685547_100000210063 [0,1,0,0,1,0|1,0,0]=3 3363 B15R2.31 Fc1cccc(c1)Sc2cccnn2 62a_100000685547_100016991348 [0,1,0,0,1,0|2,0,0]=4 3364 B15R2.31 Fc1cccc(c1)Sc2cccnn2 62a_100016991348_100000685547 [0,1,0,0,1,0|2,0,0]=4 3365 B15R2.31 Fc1cccc(c1)Sc2ccncc2 62a_100000685547_100000728582 [0,1,0,0,1,0|1,0,0]=3 3366 B15R2.31 Fc1cccc(c1)Sc2ccncc2 62a_100000728582_100000685547 [0,1,0,0,1,0|1,0,0]=3 3367 B15R2.31 Fc1cccc(c1)Sc2ccncn2 62a_100000685547_100000703185 [0,1,0,0,1,0|2,0,0]=4 3368 B15R2.31 Fc1cccc(c1)Sc2ccncn2 62a_100000703185_100000685547 [0,1,0,0,1,0|2,0,0]=4 3369 B15R2.31 Fc1cccc(c1)Sc2ccnnc2 62a_100000685547_100000732662 [0,1,0,0,1,0|2,0,0]=4 3370 B15R2.31 Fc1cccc(c1)Sc2ccnnc2 62a_100000732662_100000685547 [0,1,0,0,1,0|2,0,0]=4 3371 B15R2.31 Fc1cccc(c1)Sc2cnccn2 62a_100000211759_100000685547 [0,1,0,0,1,0|2,0,0]=4 3372 B15R2.31 Fc1cccc(c1)Sc2cnccn2 62a_100000685547_100000211759 [0,1,0,0,1,0|2,0,0]=4 3373 B15R2.31 Fc1cccc(c1)Sc2cncnc2 62a_100000685547_100011206942 [0,1,0,0,1,0|2,0,0]=4 3374 B15R2.31 Fc1cccc(c1)Sc2cncnc2 62a_100011206942_100000685547 [0,1,0,0,1,0|2,0,0]=4 3375 B15R2.31 Fc1cccc(c1)Sc2ncccn2 62a_100000211032_100000685547 [0,1,0,0,1,0|2,0,0]=4 3376 B15R2.31 Fc1cccc(c1)Sc2ncccn2 62a_100000685547_100000211032 [0,1,0,0,1,0|2,0,0]=4 3377 B15R2.31 Fc1cccc(n1)Nc2ccccc2 27a_100000106764_100009815982 [0,1,0,0,1,0|2,0,0]=4 3378 B15R2.31 Fc1cccc(n1)Sc2ccccc2 62a_100000719477_100009815982 [0,1,0,0,1,0|1,0,0]=3 3379 B15R2.31 Fc1cccc(n1)Sc2ccccc2 62a_100009815982_100000041952 [0,1,0,0,1,0|1,0,0]=3 3380 B15R2.31 Fc1cccc(n1)Sc2ccccn2 62a_100009815982_100011216584 [0,1,0,0,1,0|2,0,0]=4 3381 B15R2.31 Fc1cccc(n1)Sc2ccccn2 62a_100011216584_100009815982 [0,1,0,0,1,0|2,0,0]=4 3382 B15R2.31 Fc1cccc(n1)Sc2cccnc2 62a_100000210063_100009815982 [0,1,0,0,1,0|2,0,0]=4 3383 B15R2.31 Fc1cccc(n1)Sc2cccnc2 62a_100009815982_100000210063 [0,1,0,0,1,0|2,0,0]=4 3384 B15R2.31 Fc1cccc(n1)Sc2ccncc2 62a_100000728582_100009815982 [0,1,0,0,1,0|2,0,0]=4 3385 B15R2.31 Fc1cccc(n1)Sc2ccncc2 62a_100009815982_100000728582 [0,1,0,0,1,0|2,0,0]=4 3386 B15R2.31 Fc1ccnc(c1)Nc2ccccc2 27a_100000106764_100000764206 [0,1,0,0,1,0|2,0,0]=4 3387 B15R2.31 Fc1ccnc(c1)Sc2ccccc2 62a_100000719477_100000764206 [0,1,0,0,1,0|1,0,0]=3 3388 B15R2.31 Fc1ccnc(c1)Sc2ccccc2 62a_100000764206_100000041952 [0,1,0,0,1,0|1,0,0]=3 3389 B15R2.31 Fc1ccnc(c1)Sc2ccccn2 62a_100000764206_100011216584 [0,1,0,0,1,0|2,0,0]=4 3390 B15R2.31 Fc1ccnc(c1)Sc2ccccn2 62a_100011216584_100000764206 [0,1,0,0,1,0|2,0,0]=4 3391 B15R2.31 Fc1ccnc(c1)Sc2cccnc2 62a_100000210063_100000764206 [0,1,0,0,1,0|2,0,0]=4 3392 B15R2.31 Fc1ccnc(c1)Sc2cccnc2 62a_100000764206_100000210063 [0,1,0,0,1,0|2,0,0]=4 3393 B15R2.31 Fc1ccnc(c1)Sc2ccncc2 62a_100000728582_100000764206 [0,1,0,0,1,0|2,0,0]=4 3394 B15R2.31 Fc1ccnc(c1)Sc2ccncc2 62a_100000764206_100000728582 [0,1,0,0,1,0|2,0,0]=4 3395 B15R2.31 Fc1cncc(c1)Sc2ccccc2 62a_100000719477_100000744099 [0,1,0,0,1,0|1,0,0]=3 3396 B15R2.31 Fc1cncc(c1)Sc2ccccc2 62a_100000744099_100000041952 [0,1,0,0,1,0|1,0,0]=3 3397 B15R2.31 Fc1cncc(c1)Sc2ccccn2 62a_100000744099_100011216584 [0,1,0,0,1,0|2,0,0]=4 3398 B15R2.31 Fc1cncc(c1)Sc2ccccn2 62a_100011216584_100000744099 [0,1,0,0,1,0|2,0,0]=4 3399 B15R2.31 Fc1cncc(c1)Sc2cccnc2 62a_100000210063_100000744099 [0,1,0,0,1,0|2,0,0]=4 3400 B15R2.31 Fc1cncc(c1)Sc2cccnc2 62a_100000744099_100000210063 [0,1,0,0,1,0|2,0,0]=4 3401 B15R2.31 Fc1cncc(c1)Sc2ccncc2 62a_100000728582_100000744099 [0,1,0,0,1,0|2,0,0]=4 3402 B15R2.31 Fc1cncc(c1)Sc2ccncc2 62a_100000744099_100000728582 [0,1,0,0,1,0|2,0,0]=4 3403 B15R2.31 Fc1cncc(n1)Sc2ccccc2 62a_100000719477_200009863489 [0,1,0,0,1,0|2,0,0]=4 3404 B15R2.31 Fc1cncc(n1)Sc2ccccc2 62a_200009863489_100000041952 [0,1,0,0,1,0|2,0,0]=4 3405 B15R2.31 Nc1cc(ccn1)Sc2ccccc2 62a_100000049665_100000041952 [0,1,0,0,1,0|1,0,0]=3 3406 B15R2.31 Nc1cc(ccn1)Sc2ccccc2 62a_100000719477_100000049665 [0,1,0,0,1,0|1,0,0]=3 3407 B15R2.31 Nc1cc(ccn1)Sc2ccccn2 62a_100000049665_100011216584 [0,1,0,0,1,0|2,0,0]=4 3408 B15R2.31 Nc1cc(ccn1)Sc2ccccn2 62a_100011216584_100000049665 [0,1,0,0,1,0|2,0,0]=4 3409 B15R2.31 Nc1cc(ccn1)Sc2cccnc2 62a_100000049665_100000210063 [0,1,0,0,1,0|2,0,0]=4 3410 B15R2.31 Nc1cc(ccn1)Sc2cccnc2 62a_100000210063_100000049665 [0,1,0,0,1,0|2,0,0]=4 3411 B15R2.31 Nc1cc(ccn1)Sc2ccncc2 62a_100000049665_100000728582 [0,1,0,0,1,0|2,0,0]=4 3412 B15R2.31 Nc1cc(ccn1)Sc2ccncc2 62a_100000728582_100000049665 [0,1,0,0,1,0|2,0,0]=4 3413 B15R2.31 Nc1cc(cnn1)Sc2ccccc2 62a_100000130277_100000041952 [0,1,0,0,1,0|2,0,0]=4 3414 B15R2.31 Nc1cc(cnn1)Sc2ccccc2 62a_100000719477_100000130277 [0,1,0,0,1,0|2,0,0]=4 3415 B15R2.31 Nc1cc(ncn1)Sc2ccccc2 62a_100000701291_100000041952 [0,1,0,0,1,0|2,0,0]=4 3416 B15R2.31 Nc1cc(ncn1)Sc2ccccc2 62a_100000719477_100000701291 [0,1,0,0,1,0|2,0,0]=4 3417 B15R2.31 Nc1cccc(c1)Sc2ccccc2 62a_100000210019_100000041952 [0,1,0,0,1,0|0,0,0]=2 3418 B15R2.31 Nc1cccc(c1)Sc2ccccc2 62a_100000719477_100000210019 [0,1,0,0,1,0|0,0,0]=2 3419 B15R2.31 Nc1cccc(c1)Sc2ccccn2 62a_100000210019_100011216584 [0,1,0,0,1,0|1,0,0]=3 3420 B15R2.31 Nc1cccc(c1)Sc2ccccn2 62a_100011216584_100000210019 [0,1,0,0,1,0|1,0,0]=3 3421 B15R2.31 Nc1cccc(c1)Sc2cccnc2 62a_100000210019_100000210063 [0,1,0,0,1,0|1,0,0]=3 3422 B15R2.31 Nc1cccc(c1)Sc2cccnc2 62a_100000210063_100000210019 [0,1,0,0,1,0|1,0,0]=3 3423 B15R2.31 Nc1cccc(c1)Sc2cccnn2 62a_100000210019_100016991348 [0,1,0,0,1,0|2,0,0]=4 3424 B15R2.31 Nc1cccc(c1)Sc2cccnn2 62a_100016991348_100000210019 [0,1,0,0,1,0|2,0,0]=4 3425 B15R2.31 Nc1cccc(c1)Sc2ccncc2 62a_100000210019_100000728582 [0,1,0,0,1,0|1,0,0]=3 3426 B15R2.31 Nc1cccc(c1)Sc2ccncc2 62a_100000728582_100000210019 [0,1,0,0,1,0|1,0,0]=3 3427 B15R2.31 Nc1cccc(c1)Sc2ccncn2 62a_100000210019_100000703185 [0,1,0,0,1,0|2,0,0]=4 3428 B15R2.31 Nc1cccc(c1)Sc2ccncn2 62a_100000703185_100000210019 [0,1,0,0,1,0|2,0,0]=4 3429 B15R2.31 Nc1cccc(c1)Sc2ccnnc2 62a_100000210019_100000732662 [0,1,0,0,1,0|2,0,0]=4 3430 B15R2.31 Nc1cccc(c1)Sc2ccnnc2 62a_100000732662_100000210019 [0,1,0,0,1,0|2,0,0]=4 3431 B15R2.31 Nc1cccc(c1)Sc2cnccn2 62a_100000210019_100000211759 [0,1,0,0,1,0|2,0,0]=4 3432 B15R2.31 Nc1cccc(c1)Sc2cnccn2 62a_100000211759_100000210019 [0,1,0,0,1,0|2,0,0]=4 3433 B15R2.31 Nc1cccc(c1)Sc2cncnc2 62a_100000210019_100011206942 [0,1,0,0,1,0|2,0,0]=4 3434 B15R2.31 Nc1cccc(c1)Sc2cncnc2 62a_100011206942_100000210019 [0,1,0,0,1,0|2,0,0]=4 3435 B15R2.31 Nc1cccc(c1)Sc2ncccn2 62a_100000210019_100000211032 [0,1,0,0,1,0|2,0,0]=4 3436 B15R2.31 Nc1cccc(c1)Sc2ncccn2 62a_100000211032_100000210019 [0,1,0,0,1,0|2,0,0]=4 3437 B15R2.31 Nc1cccc(n1)Sc2ccccc2 62a_100000719477_100000740741 [0,1,0,0,1,0|1,0,0]=3 3438 B15R2.31 Nc1cccc(n1)Sc2ccccc2 62a_100000740741_100000041952 [0,1,0,0,1,0|1,0,0]=3 3439 B15R2.31 Nc1cccc(n1)Sc2ccccn2 62a_100000740741_100011216584 [0,1,0,0,1,0|2,0,0]=4 3440 B15R2.31 Nc1cccc(n1)Sc2ccccn2 62a_100011216584_100000740741 [0,1,0,0,1,0|2,0,0]=4 3441 B15R2.31 Nc1cccc(n1)Sc2cccnc2 62a_100000210063_100000740741 [0,1,0,0,1,0|2,0,0]=4 3442 B15R2.31 Nc1cccc(n1)Sc2cccnc2 62a_100000740741_100000210063 [0,1,0,0,1,0|2,0,0]=4 3443 B15R2.31 Nc1cccc(n1)Sc2ccncc2 62a_100000728582_100000740741 [0,1,0,0,1,0|2,0,0]=4 3444 B15R2.31 Nc1cccc(n1)Sc2ccncc2 62a_100000740741_100000728582 [0,1,0,0,1,0|2,0,0]=4 3445 B15R2.31 Nc1ccnc(c1)Sc2ccccc2 62a_100000719477_100009814236 [0,1,0,0,1,0|1,0,0]=3 3446 B15R2.31 Nc1ccnc(c1)Sc2ccccc2 62a_100009814236_100000041952 [0,1,0,0,1,0|1,0,0]=3 3447 B15R2.31 Nc1ccnc(c1)Sc2ccccn2 62a_100009814236_100011216584 [0,1,0,0,1,0|2,0,0]=4 3448 B15R2.31 Nc1ccnc(c1)Sc2ccccn2 62a_100011216584_100009814236 [0,1,0,0,1,0|2,0,0]=4 3449 B15R2.31 Nc1ccnc(c1)Sc2cccnc2 62a_100000210063_100009814236 [0,1,0,0,1,0|2,0,0]=4 3450 B15R2.31 Nc1ccnc(c1)Sc2cccnc2 62a_100009814236_100000210063 [0,1,0,0,1,0|2,0,0]=4 3451 B15R2.31 Nc1ccnc(c1)Sc2ccncc2 62a_100000728582_100009814236 [0,1,0,0,1,0|2,0,0]=4 3452 B15R2.31 Nc1ccnc(c1)Sc2ccncc2 62a_100009814236_100000728582 [0,1,0,0,1,0|2,0,0]=4 3453 B15R2.31 Nc1ccnc(n1)Sc2ccccc2 62a_100000719477_100000757536 [0,1,0,0,1,0|2,0,0]=4 3454 B15R2.31 Nc1ccnc(n1)Sc2ccccc2 62a_100000757536_100000041952 [0,1,0,0,1,0|2,0,0]=4 3455 B15R2.31 Nc1cncc(c1)Sc2ccccc2 62a_100000687067_100000041952 [0,1,0,0,1,0|1,0,0]=3 3456 B15R2.31 Nc1cncc(c1)Sc2ccccc2 62a_100000719477_100000687067 [0,1,0,0,1,0|1,0,0]=3 3457 B15R2.31 Nc1cncc(c1)Sc2ccccn2 62a_100000687067_100011216584 [0,1,0,0,1,0|2,0,0]=4 3458 B15R2.31 Nc1cncc(c1)Sc2ccccn2 62a_100011216584_100000687067 [0,1,0,0,1,0|2,0,0]=4 3459 B15R2.31 Nc1cncc(c1)Sc2cccnc2 62a_100000210063_100000687067 [0,1,0,0,1,0|2,0,0]=4 3460 B15R2.31 Nc1cncc(c1)Sc2cccnc2 62a_100000687067_100000210063 [0,1,0,0,1,0|2,0,0]=4 3461 B15R2.31 Nc1cncc(c1)Sc2ccncc2 62a_100000687067_100000728582 [0,1,0,0,1,0|2,0,0]=4 3462 B15R2.31 Nc1cncc(c1)Sc2ccncc2 62a_100000728582_100000687067 [0,1,0,0,1,0|2,0,0]=4 3463 B15R2.31 Nc1cncc(n1)Sc2ccccc2 62a_100000719477_100000747728 [0,1,0,0,1,0|2,0,0]=4 3464 B15R2.31 Nc1cncc(n1)Sc2ccccc2 62a_100000747728_100000041952 [0,1,0,0,1,0|2,0,0]=4 3465 B15R2.31 Nc1cnnc(c1)Sc2ccccc2 62a_100000719477_100011996757 [0,1,0,0,1,0|2,0,0]=4 3466 B15R2.31 Nc1cnnc(c1)Sc2ccccc2 62a_100011996757_100000041952 [0,1,0,0,1,0|2,0,0]=4 3467 B15R2.31 Nc1nccc(n1)Sc2ccccc2 62a_100000055538_100000041952 [0,1,0,0,1,0|2,0,0]=4 3468 B15R2.31 Nc1nccc(n1)Sc2ccccc2 62a_100000719477_100000055538 [0,1,0,0,1,0|2,0,0]=4 3469 B15R2.31 O=c1cc(cc[nH]1)Nc2ccccc2 27a_100000106764_100000061649 [0,1,0,0,1,0|2,0,0]=4 3470 B15R2.31 O=c1cc(cc[nH]1)Sc2ccccc2 62a_100000719477_100009816521 [0,1,0,0,1,0|1,0,0]=3 3471 B15R2.31 O=c1cc(cc[nH]1)Sc2ccccc2 62a_100009816521_100000041952 [0,1,0,0,1,0|1,0,0]=3 3472 B15R2.31 O=c1cc(cc[nH]1)Sc2ccccn2 62a_100009816521_100011216584 [0,1,0,0,1,0|2,0,0]=4 3473 B15R2.31 O=c1cc(cc[nH]1)Sc2ccccn2 62a_100011216584_100009816521 [0,1,0,0,1,0|2,0,0]=4 3474 B15R2.31 O=c1cc(cc[nH]1)Sc2cccnc2 62a_100000210063_100009816521 [0,1,0,0,1,0|2,0,0]=4 3475 B15R2.31 O=c1cc(cc[nH]1)Sc2cccnc2 62a_100009816521_100000210063 [0,1,0,0,1,0|2,0,0]=4 3476 B15R2.31 O=c1cc(cc[nH]1)Sc2ccncc2 62a_100000728582_100009816521 [0,1,0,0,1,0|2,0,0]=4 3477 B15R2.31 O=c1cc(cc[nH]1)Sc2ccncc2 62a_100009816521_100000728582 [0,1,0,0,1,0|2,0,0]=4 3478 B15R2.31 O=c1cc(cn[nH]1)Sc2ccccc2 62a_100000719477_100010197405 [0,1,0,0,1,0|2,0,0]=4 3479 B15R2.31 O=c1cc(nc[nH]1)Sc2ccccc2 62a_100012002517_100000041952 [0,1,0,0,1,0|2,0,0]=4 3480 B15R2.31 O=c1cc[nH]c(c1)Sc2ccccc2 62a_100009817434_100000041952 [0,1,0,0,1,0|1,0,0]=3 3481 B15R2.31 O=c1cc[nH]c(c1)Sc2ccccn2 62a_100009817434_100011216584 [0,1,0,0,1,0|2,0,0]=4 3482 B15R2.31 O=c1cc[nH]c(c1)Sc2cccnc2 62a_100009817434_100000210063 [0,1,0,0,1,0|2,0,0]=4 3483 B15R2.31 O=c1cc[nH]c(c1)Sc2ccncc2 62a_100009817434_100000728582 [0,1,0,0,1,0|2,0,0]=4 3484 B15R2.31 O=c1cccc([nH]1)Sc2ccccc2 62a_100000719477_100000752884 [0,1,0,0,1,0|1,0,0]=3 3485 B15R2.31 O=c1cccc([nH]1)Sc2ccccn2 62a_100011216584_100000752884 [0,1,0,0,1,0|2,0,0]=4 3486 B15R2.31 O=c1cccc([nH]1)Sc2cccnc2 62a_100000210063_100000752884 [0,1,0,0,1,0|2,0,0]=4 3487 B15R2.31 O=c1cccc([nH]1)Sc2ccncc2 62a_100000728582_100000752884 [0,1,0,0,1,0|2,0,0]=4 3488 B15R2.31 O=c1nc(cc[nH]1)Sc2ccccc2 62a_100000719477_200000134032 [0,1,0,0,1,0|2,0,0]=4 3489 B15R2.31 Oc1cc(ncn1)Sc2ccccc2 62a_100000719477_100000765262 [0,1,0,0,1,0|2,0,0]=4 3490 B15R2.31 Oc1ccc[n+](c1)Cc2ccccc2 271570a_203496583355_200009812568 [0,1,0,0,1,0|2,0,0]=4 3491 B15R2.31 Oc1cccc(c1)Nc2ccccc2 271570a_203496583355_100000701362 [0,1,0,0,1,0|1,0,0]=3 3492 B15R2.31 Oc1cccc(c1)Oc2ccccc2 271570a_203496583355_100009814285 [0,1,0,0,1,0|0,1,0]=3 3493 B15R2.31 Oc1cccc(c1)Oc2ccccn2 271570a_203496583355_200000173466 [0,1,0,0,1,0|1,1,0]=4 3494 B15R2.31 Oc1cccc(c1)Sc2ccccc2 62a_100000719477_100000211634 [0,1,0,0,1,0|0,0,0]=2 3495 B15R2.31 Oc1cccc(c1)Sc2ccccn2 62a_100011216584_100000211634 [0,1,0,0,1,0|1,0,0]=3 3496 B15R2.31 Oc1cccc(c1)Sc2cccnc2 62a_100000210063_100000211634 [0,1,0,0,1,0|1,0,0]=3 3497 B15R2.31 Oc1cccc(c1)Sc2cccnn2 62a_100016991348_100000211634 [0,1,0,0,1,0|2,0,0]=4 3498 B15R2.31 Oc1cccc(c1)Sc2ccncc2 62a_100000728582_100000211634 [0,1,0,0,1,0|1,0,0]=3 3499 B15R2.31 Oc1cccc(c1)Sc2ccncn2 62a_100000703185_100000211634 [0,1,0,0,1,0|2,0,0]=4 3500 B15R2.31 Oc1cccc(c1)Sc2ccnnc2 62a_100000732662_100000211634 [0,1,0,0,1,0|2,0,0]=4 3501 B15R2.31 Oc1cccc(c1)Sc2cnccn2 62a_100000211759_100000211634 [0,1,0,0,1,0|2,0,0]=4 3502 B15R2.31 Oc1cccc(c1)Sc2cncnc2 62a_100011206942_100000211634 [0,1,0,0,1,0|2,0,0]=4 3503 B15R2.31 Oc1cccc(c1)Sc2ncccn2 62a_100000211032_100000211634 [0,1,0,0,1,0|2,0,0]=4 3504 B15R2.31 Oc1cccc(n1)Oc2ccccc2 271570a_203496583355_100011960278 [0,1,0,0,1,0|1,1,0]=4 3505 B15R2.31 Oc1ccnc(c1)Sc2ccccc2 62a_100000719477_100000762945 [0,1,0,0,1,0|1,0,0]=3 3506 B15R2.31 Oc1ccnc(c1)Sc2ccccn2 62a_100011216584_100000762945 [0,1,0,0,1,0|2,0,0]=4 3507 B15R2.31 Oc1ccnc(c1)Sc2cccnc2 62a_100000210063_100000762945 [0,1,0,0,1,0|2,0,0]=4 3508 B15R2.31 Oc1ccnc(c1)Sc2ccncc2 62a_100000728582_100000762945 [0,1,0,0,1,0|2,0,0]=4 3509 B15R2.31 Oc1ccnc(n1)Sc2ccccc2 62a_100000719477_100011649813 [0,1,0,0,1,0|2,0,0]=4 3510 B15R2.31 Oc1cncc(c1)Cc2ccccc2 271570a_203496583355_200010295753 [0,1,0,0,1,0|2,0,0]=4 3511 B15R2.31 Oc1cncc(c1)Oc2ccccc2 271570a_203496583355_100012359384 [0,1,0,0,1,0|1,1,0]=4 3512 B15R2.31 Oc1cncc(c1)Sc2ccccc2 62a_100000719477_100000754920 [0,1,0,0,1,0|1,0,0]=3 3513 B15R2.31 Oc1cncc(c1)Sc2ccccc2 62a_100000754920_100000041952 [0,1,0,0,1,0|1,0,0]=3 3514 B15R2.31 Oc1cncc(c1)Sc2ccccn2 62a_100000754920_100011216584 [0,1,0,0,1,0|2,0,0]=4 3515 B15R2.31 Oc1cncc(c1)Sc2ccccn2 62a_100011216584_100000754920 [0,1,0,0,1,0|2,0,0]=4 3516 B15R2.31 Oc1cncc(c1)Sc2cccnc2 62a_100000210063_100000754920 [0,1,0,0,1,0|2,0,0]=4 3517 B15R2.31 Oc1cncc(c1)Sc2cccnc2 62a_100000754920_100000210063 [0,1,0,0,1,0|2,0,0]=4 3518 B15R2.31 Oc1cncc(c1)Sc2ccncc2 62a_100000728582_100000754920 [0,1,0,0,1,0|2,0,0]=4 3519 B15R2.31 Oc1cncc(c1)Sc2ccncc2 62a_100000754920_100000728582 [0,1,0,0,1,0|2,0,0]=4 3520 B15R2.31 Oc1cncc(n1)Sc2ccccc2 62a_100000719477_100011269956 [0,1,0,0,1,0|2,0,0]=4 3521 B15R2.31 Oc1cnnc(c1)Sc2ccccc2 62a_100000719477_200010734679 [0,1,0,0,1,0|2,0,0]=4 3522 B15R2.31 [O-][n+]1cccc(c1)Sc2ccccc2 62a_100000719477_100009815978 [0,1,0,0,1,0|1,0,0]=3 3523 B15R2.31 [O-][n+]1cccc(c1)Sc2ccccn2 62a_100011216584_100009815978 [0,1,0,0,1,0|2,0,0]=4 3524 B15R2.31 [O-][n+]1cccc(c1)Sc2cccnc2 62a_100000210063_100009815978 [0,1,0,0,1,0|2,0,0]=4 3525 B15R2.31 [O-][n+]1cccc(c1)Sc2ccncc2 62a_100000728582_100009815978 [0,1,0,0,1,0|2,0,0]=4 3526 B15R2.31 [O-][n+]1ccnc(c1)Sc2ccccc2 62a_100000719477_100009880115 [0,1,0,0,1,0|2,0,0]=4 3527 B15R2.31 [S]c1cccc(c1)Sc2ccccc2 62a_100000719477_114929384022 [0,1,0,0,1,0|0,0,0]=2 3528 B15R2.31 [S]c1cccc(c1)Sc2ccccc2 62a_114929384022_100000041952 [0,1,0,0,1,0|0,0,0]=2 3529 B15R2.31 [S]c1cccc(c1)Sc2ccccn2 62a_100011216584_114929384022 [0,1,0,0,1,0|1,0,0]=3 3530 B15R2.31 [S]c1cccc(c1)Sc2ccccn2 62a_114929384022_100011216584 [0,1,0,0,1,0|1,0,0]=3 3531 B15R2.31 [S]c1cccc(c1)Sc2cccnc2 62a_100000210063_114929384022 [0,1,0,0,1,0|1,0,0]=3 3532 B15R2.31 [S]c1cccc(c1)Sc2cccnc2 62a_114929384022_100000210063 [0,1,0,0,1,0|1,0,0]=3 3533 B15R2.31 [S]c1cccc(c1)Sc2cccnn2 62a_100016991348_114929384022 [0,1,0,0,1,0|2,0,0]=4 3534 B15R2.31 [S]c1cccc(c1)Sc2cccnn2 62a_114929384022_100016991348 [0,1,0,0,1,0|2,0,0]=4 3535 B15R2.31 [S]c1cccc(c1)Sc2ccncc2 62a_100000728582_114929384022 [0,1,0,0,1,0|1,0,0]=3 3536 B15R2.31 [S]c1cccc(c1)Sc2ccncc2 62a_114929384022_100000728582 [0,1,0,0,1,0|1,0,0]=3 3537 B15R2.31 [S]c1cccc(c1)Sc2ccncn2 62a_100000703185_114929384022 [0,1,0,0,1,0|2,0,0]=4 3538 B15R2.31 [S]c1cccc(c1)Sc2ccncn2 62a_114929384022_100000703185 [0,1,0,0,1,0|2,0,0]=4 3539 B15R2.31 [S]c1cccc(c1)Sc2ccnnc2 62a_100000732662_114929384022 [0,1,0,0,1,0|2,0,0]=4 3540 B15R2.31 [S]c1cccc(c1)Sc2ccnnc2 62a_114929384022_100000732662 [0,1,0,0,1,0|2,0,0]=4 3541 B15R2.31 [S]c1cccc(c1)Sc2cnccn2 62a_100000211759_114929384022 [0,1,0,0,1,0|2,0,0]=4 3542 B15R2.31 [S]c1cccc(c1)Sc2cnccn2 62a_114929384022_100000211759 [0,1,0,0,1,0|2,0,0]=4 3543 B15R2.31 [S]c1cccc(c1)Sc2cncnc2 62a_100011206942_114929384022 [0,1,0,0,1,0|2,0,0]=4 3544 B15R2.31 [S]c1cccc(c1)Sc2cncnc2 62a_114929384022_100011206942 [0,1,0,0,1,0|2,0,0]=4 3545 B15R2.31 [S]c1cccc(c1)Sc2ncccn2 62a_100000211032_114929384022 [0,1,0,0,1,0|2,0,0]=4 3546 B15R2.31 [S]c1cccc(c1)Sc2ncccn2 62a_114929384022_100000211032 [0,1,0,0,1,0|2,0,0]=4 3547 B15R2.38 Brc1ccccc1Sc2ccccc2 62a_100000695589_100000041952 [0,1,0,0,1,0|0,0,0]=2 3548 B15R2.38 Brc1ccccc1Sc2ccccc2 62a_100000719477_100000695589 [0,1,0,0,1,0|0,0,0]=2 3549 B15R2.38 Brc1ccccc1Sc2ccccn2 62a_100000695589_100011216584 [0,1,0,0,1,0|1,0,0]=3 3550 B15R2.38 Brc1ccccc1Sc2ccccn2 62a_100011216584_100000695589 [0,1,0,0,1,0|1,0,0]=3 3551 B15R2.38 Brc1ccccc1Sc2cccnc2 62a_100000210063_100000695589 [0,1,0,0,1,0|1,0,0]=3 3552 B15R2.38 Brc1ccccc1Sc2cccnc2 62a_100000695589_100000210063 [0,1,0,0,1,0|1,0,0]=3 3553 B15R2.38 Brc1ccccc1Sc2cccnn2 62a_100000695589_100016991348 [0,1,0,0,1,0|2,0,0]=4 3554 B15R2.38 Brc1ccccc1Sc2cccnn2 62a_100016991348_100000695589 [0,1,0,0,1,0|2,0,0]=4 3555 B15R2.38 Brc1ccccc1Sc2ccncc2 62a_100000695589_100000728582 [0,1,0,0,1,0|1,0,0]=3 3556 B15R2.38 Brc1ccccc1Sc2ccncc2 62a_100000728582_100000695589 [0,1,0,0,1,0|1,0,0]=3 3557 B15R2.38 Brc1ccccc1Sc2ccncn2 62a_100000695589_100000703185 [0,1,0,0,1,0|2,0,0]=4 3558 B15R2.38 Brc1ccccc1Sc2ccncn2 62a_100000703185_100000695589 [0,1,0,0,1,0|2,0,0]=4 3559 B15R2.38 Brc1ccccc1Sc2ccnnc2 62a_100000695589_100000732662 [0,1,0,0,1,0|2,0,0]=4 3560 B15R2.38 Brc1ccccc1Sc2ccnnc2 62a_100000732662_100000695589 [0,1,0,0,1,0|2,0,0]=4 3561 B15R2.38 Brc1ccccc1Sc2cnccn2 62a_100000211759_100000695589 [0,1,0,0,1,0|2,0,0]=4 3562 B15R2.38 Brc1ccccc1Sc2cnccn2 62a_100000695589_100000211759 [0,1,0,0,1,0|2,0,0]=4 3563 B15R2.38 Brc1ccccc1Sc2cncnc2 62a_100000695589_100011206942 [0,1,0,0,1,0|2,0,0]=4 3564 B15R2.38 Brc1ccccc1Sc2cncnc2 62a_100011206942_100000695589 [0,1,0,0,1,0|2,0,0]=4 3565 B15R2.38 Brc1ccccc1Sc2ncccn2 62a_100000211032_100000695589 [0,1,0,0,1,0|2,0,0]=4 3566 B15R2.38 Brc1ccccc1Sc2ncccn2 62a_100000695589_100000211032 [0,1,0,0,1,0|2,0,0]=4 3567 B15R2.38 Brc1cccnc1Nc2ccccc2 27a_100000106764_100000696092 [0,1,0,0,1,0|2,0,0]=4 3568 B15R2.38 Brc1cccnc1Sc2ccccc2 62a_100000696092_100000041952 [0,1,0,0,1,0|1,0,0]=3 3569 B15R2.38 Brc1cccnc1Sc2ccccc2 62a_100000719477_100000696092 [0,1,0,0,1,0|1,0,0]=3 3570 B15R2.38 Brc1cccnc1Sc2ccccn2 62a_100000696092_100011216584 [0,1,0,0,1,0|2,0,0]=4 3571 B15R2.38 Brc1cccnc1Sc2ccccn2 62a_100011216584_100000696092 [0,1,0,0,1,0|2,0,0]=4 3572 B15R2.38 Brc1cccnc1Sc2cccnc2 62a_100000210063_100000696092 [0,1,0,0,1,0|2,0,0]=4 3573 B15R2.38 Brc1cccnc1Sc2cccnc2 62a_100000696092_100000210063 [0,1,0,0,1,0|2,0,0]=4 3574 B15R2.38 Brc1cccnc1Sc2ccncc2 62a_100000696092_100000728582 [0,1,0,0,1,0|2,0,0]=4 3575 B15R2.38 Brc1cccnc1Sc2ccncc2 62a_100000728582_100000696092 [0,1,0,0,1,0|2,0,0]=4 3576 B15R2.38 Brc1ccncc1Sc2ccccc2 62a_100000719477_100010138639 [0,1,0,0,1,0|1,0,0]=3 3577 B15R2.38 Brc1ccncc1Sc2ccccc2 62a_100010138639_100000041952 [0,1,0,0,1,0|1,0,0]=3 3578 B15R2.38 Brc1ccncc1Sc2ccccn2 62a_100010138639_100011216584 [0,1,0,0,1,0|2,0,0]=4 3579 B15R2.38 Brc1ccncc1Sc2ccccn2 62a_100011216584_100010138639 [0,1,0,0,1,0|2,0,0]=4 3580 B15R2.38 Brc1ccncc1Sc2cccnc2 62a_100000210063_100010138639 [0,1,0,0,1,0|2,0,0]=4 3581 B15R2.38 Brc1ccncc1Sc2cccnc2 62a_100010138639_100000210063 [0,1,0,0,1,0|2,0,0]=4 3582 B15R2.38 Brc1ccncc1Sc2ccncc2 62a_100000728582_100010138639 [0,1,0,0,1,0|2,0,0]=4 3583 B15R2.38 Brc1ccncc1Sc2ccncc2 62a_100010138639_100000728582 [0,1,0,0,1,0|2,0,0]=4 3584 B15R2.38 Brc1cnccc1Nc2ccccc2 27a_100000106764_100000726257 [0,1,0,0,1,0|2,0,0]=4 3585 B15R2.38 Brc1cnccc1Sc2ccccc2 62a_100000719477_100000726257 [0,1,0,0,1,0|1,0,0]=3 3586 B15R2.38 Brc1cnccc1Sc2ccccc2 62a_100000726257_100000041952 [0,1,0,0,1,0|1,0,0]=3 3587 B15R2.38 Brc1cnccc1Sc2ccccn2 62a_100000726257_100011216584 [0,1,0,0,1,0|2,0,0]=4 3588 B15R2.38 Brc1cnccc1Sc2ccccn2 62a_100011216584_100000726257 [0,1,0,0,1,0|2,0,0]=4 3589 B15R2.38 Brc1cnccc1Sc2cccnc2 62a_100000210063_100000726257 [0,1,0,0,1,0|2,0,0]=4 3590 B15R2.38 Brc1cnccc1Sc2cccnc2 62a_100000726257_100000210063 [0,1,0,0,1,0|2,0,0]=4 3591 B15R2.38 Brc1cnccc1Sc2ccncc2 62a_100000726257_100000728582 [0,1,0,0,1,0|2,0,0]=4 3592 B15R2.38 Brc1cnccc1Sc2ccncc2 62a_100000728582_100000726257 [0,1,0,0,1,0|2,0,0]=4 3593 B15R2.38 Brc1ncccc1Sc2ccccc2 62a_100000719477_100010202626 [0,1,0,0,1,0|1,0,0]=3 3594 B15R2.38 Brc1ncccc1Sc2ccccc2 62a_100010202626_100000041952 [0,1,0,0,1,0|1,0,0]=3 3595 B15R2.38 Brc1ncccc1Sc2ccccn2 62a_100010202626_100011216584 [0,1,0,0,1,0|2,0,0]=4 3596 B15R2.38 Brc1ncccc1Sc2ccccn2 62a_100011216584_100010202626 [0,1,0,0,1,0|2,0,0]=4 3597 B15R2.38 Brc1ncccc1Sc2cccnc2 62a_100000210063_100010202626 [0,1,0,0,1,0|2,0,0]=4 3598 B15R2.38 Brc1ncccc1Sc2cccnc2 62a_100010202626_100000210063 [0,1,0,0,1,0|2,0,0]=4 3599 B15R2.38 Brc1ncccc1Sc2ccncc2 62a_100000728582_100010202626 [0,1,0,0,1,0|2,0,0]=4 3600 B15R2.38 Brc1ncccc1Sc2ccncc2 62a_100010202626_100000728582 [0,1,0,0,1,0|2,0,0]=4 3601 B15R2.38 Brc1ncncc1Sc2ccccc2 62a_100000719477_200012461658 [0,1,0,0,1,0|2,0,0]=4 3602 B15R2.38 Brc1ncncc1Sc2ccccc2 62a_200012461658_100000041952 [0,1,0,0,1,0|2,0,0]=4 3603 B15R2.38 C[n+]1ccccc1Sc2ccccc2 62a_100000719477_100000212160 [0,1,0,0,1,0|1,0,0]=3 3604 B15R2.38 C[n+]1ccccc1Sc2ccccn2 62a_100011216584_100000212160 [0,1,0,0,1,0|2,0,0]=4 3605 B15R2.38 C[n+]1ccccc1Sc2cccnc2 62a_100000210063_100000212160 [0,1,0,0,1,0|2,0,0]=4 3606 B15R2.38 C[n+]1ccccc1Sc2ccncc2 62a_100000728582_100000212160 [0,1,0,0,1,0|2,0,0]=4 3607 B15R2.38 Cc1ccccc1Sc2ccccc2 62a_100000210755_100000041952 [0,1,0,0,1,0|0,0,0]=2 3608 B15R2.38 Cc1ccccc1Sc2ccccc2 62a_100000719477_100000210755 [0,1,0,0,1,0|0,0,0]=2 3609 B15R2.38 Cc1ccccc1Sc2ccccn2 62a_100000210755_100011216584 [0,1,0,0,1,0|1,0,0]=3 3610 B15R2.38 Cc1ccccc1Sc2ccccn2 62a_100011216584_100000210755 [0,1,0,0,1,0|1,0,0]=3 3611 B15R2.38 Cc1ccccc1Sc2cccnc2 62a_100000210063_100000210755 [0,1,0,0,1,0|1,0,0]=3 3612 B15R2.38 Cc1ccccc1Sc2cccnc2 62a_100000210755_100000210063 [0,1,0,0,1,0|1,0,0]=3 3613 B15R2.38 Cc1ccccc1Sc2cccnn2 62a_100000210755_100016991348 [0,1,0,0,1,0|2,0,0]=4 3614 B15R2.38 Cc1ccccc1Sc2cccnn2 62a_100016991348_100000210755 [0,1,0,0,1,0|2,0,0]=4 3615 B15R2.38 Cc1ccccc1Sc2ccncc2 62a_100000210755_100000728582 [0,1,0,0,1,0|1,0,0]=3 3616 B15R2.38 Cc1ccccc1Sc2ccncc2 62a_100000728582_100000210755 [0,1,0,0,1,0|1,0,0]=3 3617 B15R2.38 Cc1ccccc1Sc2ccncn2 62a_100000210755_100000703185 [0,1,0,0,1,0|2,0,0]=4 3618 B15R2.38 Cc1ccccc1Sc2ccncn2 62a_100000703185_100000210755 [0,1,0,0,1,0|2,0,0]=4 3619 B15R2.38 Cc1ccccc1Sc2ccnnc2 62a_100000210755_100000732662 [0,1,0,0,1,0|2,0,0]=4 3620 B15R2.38 Cc1ccccc1Sc2ccnnc2 62a_100000732662_100000210755 [0,1,0,0,1,0|2,0,0]=4 3621 B15R2.38 Cc1ccccc1Sc2cnccn2 62a_100000210755_100000211759 [0,1,0,0,1,0|2,0,0]=4 3622 B15R2.38 Cc1ccccc1Sc2cnccn2 62a_100000211759_100000210755 [0,1,0,0,1,0|2,0,0]=4 3623 B15R2.38 Cc1ccccc1Sc2cncnc2 62a_100000210755_100011206942 [0,1,0,0,1,0|2,0,0]=4 3624 B15R2.38 Cc1ccccc1Sc2cncnc2 62a_100011206942_100000210755 [0,1,0,0,1,0|2,0,0]=4 3625 B15R2.38 Cc1ccccc1Sc2ncccn2 62a_100000210755_100000211032 [0,1,0,0,1,0|2,0,0]=4 3626 B15R2.38 Cc1ccccc1Sc2ncccn2 62a_100000211032_100000210755 [0,1,0,0,1,0|2,0,0]=4 3627 B15R2.38 Cc1cccnc1Sc2ccccc2 62a_100000719477_100000751373 [0,1,0,0,1,0|1,0,0]=3 3628 B15R2.38 Cc1cccnc1Sc2ccccc2 62a_100000751373_100000041952 [0,1,0,0,1,0|1,0,0]=3 3629 B15R2.38 Cc1cccnc1Sc2ccccn2 62a_100000751373_100011216584 [0,1,0,0,1,0|2,0,0]=4 3630 B15R2.38 Cc1cccnc1Sc2ccccn2 62a_100011216584_100000751373 [0,1,0,0,1,0|2,0,0]=4 3631 B15R2.38 Cc1cccnc1Sc2cccnc2 62a_100000210063_100000751373 [0,1,0,0,1,0|2,0,0]=4 3632 B15R2.38 Cc1cccnc1Sc2cccnc2 62a_100000751373_100000210063 [0,1,0,0,1,0|2,0,0]=4 3633 B15R2.38 Cc1cccnc1Sc2ccncc2 62a_100000728582_100000751373 [0,1,0,0,1,0|2,0,0]=4 3634 B15R2.38 Cc1cccnc1Sc2ccncc2 62a_100000751373_100000728582 [0,1,0,0,1,0|2,0,0]=4 3635 B15R2.38 Cc1ccncc1Sc2ccccc2 62a_100000719477_100000761580 [0,1,0,0,1,0|1,0,0]=3 3636 B15R2.38 Cc1ccncc1Sc2ccccc2 62a_100000761580_100000041952 [0,1,0,0,1,0|1,0,0]=3 3637 B15R2.38 Cc1ccncc1Sc2ccccn2 62a_100000761580_100011216584 [0,1,0,0,1,0|2,0,0]=4 3638 B15R2.38 Cc1ccncc1Sc2ccccn2 62a_100011216584_100000761580 [0,1,0,0,1,0|2,0,0]=4 3639 B15R2.38 Cc1ccncc1Sc2cccnc2 62a_100000210063_100000761580 [0,1,0,0,1,0|2,0,0]=4 3640 B15R2.38 Cc1ccncc1Sc2cccnc2 62a_100000761580_100000210063 [0,1,0,0,1,0|2,0,0]=4 3641 B15R2.38 Cc1ccncc1Sc2ccncc2 62a_100000728582_100000761580 [0,1,0,0,1,0|2,0,0]=4 3642 B15R2.38 Cc1ccncc1Sc2ccncc2 62a_100000761580_100000728582 [0,1,0,0,1,0|2,0,0]=4 3643 B15R2.38 Cc1ccnnc1Sc2ccccc2 62a_100000719477_100000089043 [0,1,0,0,1,0|2,0,0]=4 3644 B15R2.38 Cc1cnccc1Nc2ccccc2 27a_100000106764_100000765111 [0,1,0,0,1,0|2,0,0]=4 3645 B15R2.38 Cc1cnccc1Sc2ccccc2 62a_100000719477_100000765111 [0,1,0,0,1,0|1,0,0]=3 3646 B15R2.38 Cc1cnccc1Sc2ccccc2 62a_100000765111_100000041952 [0,1,0,0,1,0|1,0,0]=3 3647 B15R2.38 Cc1cnccc1Sc2ccccn2 62a_100000765111_100011216584 [0,1,0,0,1,0|2,0,0]=4 3648 B15R2.38 Cc1cnccc1Sc2ccccn2 62a_100011216584_100000765111 [0,1,0,0,1,0|2,0,0]=4 3649 B15R2.38 Cc1cnccc1Sc2cccnc2 62a_100000210063_100000765111 [0,1,0,0,1,0|2,0,0]=4 3650 B15R2.38 Cc1cnccc1Sc2cccnc2 62a_100000765111_100000210063 [0,1,0,0,1,0|2,0,0]=4 3651 B15R2.38 Cc1cnccc1Sc2ccncc2 62a_100000728582_100000765111 [0,1,0,0,1,0|2,0,0]=4 3652 B15R2.38 Cc1cnccc1Sc2ccncc2 62a_100000765111_100000728582 [0,1,0,0,1,0|2,0,0]=4 3653 B15R2.38 Cc1cncnc1Sc2ccccc2 62a_100000719477_100011998708 [0,1,0,0,1,0|2,0,0]=4 3654 B15R2.38 Cc1cncnc1Sc2ccccc2 62a_100011998708_100000041952 [0,1,0,0,1,0|2,0,0]=4 3655 B15R2.38 Cc1ncccc1Sc2ccccc2 62a_100000719477_100000751574 [0,1,0,0,1,0|1,0,0]=3 3656 B15R2.38 Cc1ncccc1Sc2ccccc2 62a_100000751574_100000041952 [0,1,0,0,1,0|1,0,0]=3 3657 B15R2.38 Cc1ncccc1Sc2ccccn2 62a_100000751574_100011216584 [0,1,0,0,1,0|2,0,0]=4 3658 B15R2.38 Cc1ncccc1Sc2ccccn2 62a_100011216584_100000751574 [0,1,0,0,1,0|2,0,0]=4 3659 B15R2.38 Cc1ncccc1Sc2cccnc2 62a_100000210063_100000751574 [0,1,0,0,1,0|2,0,0]=4 3660 B15R2.38 Cc1ncccc1Sc2cccnc2 62a_100000751574_100000210063 [0,1,0,0,1,0|2,0,0]=4 3661 B15R2.38 Cc1ncccc1Sc2ccncc2 62a_100000728582_100000751574 [0,1,0,0,1,0|2,0,0]=4 3662 B15R2.38 Cc1ncccc1Sc2ccncc2 62a_100000751574_100000728582 [0,1,0,0,1,0|2,0,0]=4 3663 B15R2.38 Cc1nccnc1Sc2ccccc2 62a_100000719477_100011999405 [0,1,0,0,1,0|2,0,0]=4 3664 B15R2.38 Cc1nccnc1Sc2ccccc2 62a_100011999405_100000041952 [0,1,0,0,1,0|2,0,0]=4 3665 B15R2.38 Cc1ncncc1Sc2ccccc2 62a_100000719477_100009819671 [0,1,0,0,1,0|2,0,0]=4 3666 B15R2.38 Cc1ncncc1Sc2ccccc2 62a_100009819671_100000041952 [0,1,0,0,1,0|2,0,0]=4 3667 B15R2.38 Clc1ccccc1Sc2ccccc2 62a_100000719477_100000764095 [0,1,0,0,1,0|0,0,0]=2 3668 B15R2.38 Clc1ccccc1Sc2ccccc2 62a_100000764095_100000041952 [0,1,0,0,1,0|0,0,0]=2 3669 B15R2.38 Clc1ccccc1Sc2ccccn2 62a_100000764095_100011216584 [0,1,0,0,1,0|1,0,0]=3 3670 B15R2.38 Clc1ccccc1Sc2ccccn2 62a_100011216584_100000764095 [0,1,0,0,1,0|1,0,0]=3 3671 B15R2.38 Clc1ccccc1Sc2cccnc2 62a_100000210063_100000764095 [0,1,0,0,1,0|1,0,0]=3 3672 B15R2.38 Clc1ccccc1Sc2cccnc2 62a_100000764095_100000210063 [0,1,0,0,1,0|1,0,0]=3 3673 B15R2.38 Clc1ccccc1Sc2cccnn2 62a_100000764095_100016991348 [0,1,0,0,1,0|2,0,0]=4 3674 B15R2.38 Clc1ccccc1Sc2cccnn2 62a_100016991348_100000764095 [0,1,0,0,1,0|2,0,0]=4 3675 B15R2.38 Clc1ccccc1Sc2ccncc2 62a_100000728582_100000764095 [0,1,0,0,1,0|1,0,0]=3 3676 B15R2.38 Clc1ccccc1Sc2ccncc2 62a_100000764095_100000728582 [0,1,0,0,1,0|1,0,0]=3 3677 B15R2.38 Clc1ccccc1Sc2ccncn2 62a_100000703185_100000764095 [0,1,0,0,1,0|2,0,0]=4 3678 B15R2.38 Clc1ccccc1Sc2ccncn2 62a_100000764095_100000703185 [0,1,0,0,1,0|2,0,0]=4 3679 B15R2.38 Clc1ccccc1Sc2ccnnc2 62a_100000732662_100000764095 [0,1,0,0,1,0|2,0,0]=4 3680 B15R2.38 Clc1ccccc1Sc2ccnnc2 62a_100000764095_100000732662 [0,1,0,0,1,0|2,0,0]=4 3681 B15R2.38 Clc1ccccc1Sc2cnccn2 62a_100000211759_100000764095 [0,1,0,0,1,0|2,0,0]=4 3682 B15R2.38 Clc1ccccc1Sc2cnccn2 62a_100000764095_100000211759 [0,1,0,0,1,0|2,0,0]=4 3683 B15R2.38 Clc1ccccc1Sc2cncnc2 62a_100000764095_100011206942 [0,1,0,0,1,0|2,0,0]=4 3684 B15R2.38 Clc1ccccc1Sc2cncnc2 62a_100011206942_100000764095 [0,1,0,0,1,0|2,0,0]=4 3685 B15R2.38 Clc1ccccc1Sc2ncccn2 62a_100000211032_100000764095 [0,1,0,0,1,0|2,0,0]=4 3686 B15R2.38 Clc1ccccc1Sc2ncccn2 62a_100000764095_100000211032 [0,1,0,0,1,0|2,0,0]=4 3687 B15R2.38 Clc1cccnc1Sc2ccccc2 62a_100000719477_100011356963 [0,1,0,0,1,0|1,0,0]=3 3688 B15R2.38 Clc1cccnc1Sc2ccccc2 62a_100011356963_100000041952 [0,1,0,0,1,0|1,0,0]=3 3689 B15R2.38 Clc1cccnc1Sc2ccccn2 62a_100011216584_100011356963 [0,1,0,0,1,0|2,0,0]=4 3690 B15R2.38 Clc1cccnc1Sc2ccccn2 62a_100011356963_100011216584 [0,1,0,0,1,0|2,0,0]=4 3691 B15R2.38 Clc1cccnc1Sc2cccnc2 62a_100000210063_100011356963 [0,1,0,0,1,0|2,0,0]=4 3692 B15R2.38 Clc1cccnc1Sc2cccnc2 62a_100011356963_100000210063 [0,1,0,0,1,0|2,0,0]=4 3693 B15R2.38 Clc1cccnc1Sc2ccncc2 62a_100000728582_100011356963 [0,1,0,0,1,0|2,0,0]=4 3694 B15R2.38 Clc1cccnc1Sc2ccncc2 62a_100011356963_100000728582 [0,1,0,0,1,0|2,0,0]=4 3695 B15R2.38 Clc1ccncc1Sc2ccccc2 62a_100000719477_100009995489 [0,1,0,0,1,0|1,0,0]=3 3696 B15R2.38 Clc1ccncc1Sc2ccccc2 62a_100009995489_100000041952 [0,1,0,0,1,0|1,0,0]=3 3697 B15R2.38 Clc1ccncc1Sc2ccccn2 62a_100009995489_100011216584 [0,1,0,0,1,0|2,0,0]=4 3698 B15R2.38 Clc1ccncc1Sc2ccccn2 62a_100011216584_100009995489 [0,1,0,0,1,0|2,0,0]=4 3699 B15R2.38 Clc1ccncc1Sc2cccnc2 62a_100000210063_100009995489 [0,1,0,0,1,0|2,0,0]=4 3700 B15R2.38 Clc1ccncc1Sc2cccnc2 62a_100009995489_100000210063 [0,1,0,0,1,0|2,0,0]=4 3701 B15R2.38 Clc1ccncc1Sc2ccncc2 62a_100000728582_100009995489 [0,1,0,0,1,0|2,0,0]=4 3702 B15R2.38 Clc1ccncc1Sc2ccncc2 62a_100009995489_100000728582 [0,1,0,0,1,0|2,0,0]=4 3703 B15R2.38 Clc1cnccc1Sc2ccccc2 62a_100000708259_100000041952 [0,1,0,0,1,0|1,0,0]=3 3704 B15R2.38 Clc1cnccc1Sc2ccccc2 62a_100000719477_100000708259 [0,1,0,0,1,0|1,0,0]=3 3705 B15R2.38 Clc1cnccc1Sc2ccccn2 62a_100000708259_100011216584 [0,1,0,0,1,0|2,0,0]=4 3706 B15R2.38 Clc1cnccc1Sc2ccccn2 62a_100011216584_100000708259 [0,1,0,0,1,0|2,0,0]=4 3707 B15R2.38 Clc1cnccc1Sc2cccnc2 62a_100000210063_100000708259 [0,1,0,0,1,0|2,0,0]=4 3708 B15R2.38 Clc1cnccc1Sc2cccnc2 62a_100000708259_100000210063 [0,1,0,0,1,0|2,0,0]=4 3709 B15R2.38 Clc1cnccc1Sc2ccncc2 62a_100000708259_100000728582 [0,1,0,0,1,0|2,0,0]=4 3710 B15R2.38 Clc1cnccc1Sc2ccncc2 62a_100000728582_100000708259 [0,1,0,0,1,0|2,0,0]=4 3711 B15R2.38 Clc1ncccc1Sc2ccccc2 62a_100000036424_100000041952 [0,1,0,0,1,0|1,0,0]=3 3712 B15R2.38 Clc1ncccc1Sc2ccccc2 62a_100000719477_100000036424 [0,1,0,0,1,0|1,0,0]=3 3713 B15R2.38 Clc1ncccc1Sc2ccccn2 62a_100000036424_100011216584 [0,1,0,0,1,0|2,0,0]=4 3714 B15R2.38 Clc1ncccc1Sc2ccccn2 62a_100011216584_100000036424 [0,1,0,0,1,0|2,0,0]=4 3715 B15R2.38 Clc1ncccc1Sc2cccnc2 62a_100000036424_100000210063 [0,1,0,0,1,0|2,0,0]=4 3716 B15R2.38 Clc1ncccc1Sc2cccnc2 62a_100000210063_100000036424 [0,1,0,0,1,0|2,0,0]=4 3717 B15R2.38 Clc1ncccc1Sc2ccncc2 62a_100000036424_100000728582 [0,1,0,0,1,0|2,0,0]=4 3718 B15R2.38 Clc1ncccc1Sc2ccncc2 62a_100000728582_100000036424 [0,1,0,0,1,0|2,0,0]=4 3719 B15R2.38 Clc1nccnc1Sc2ccccc2 62a_100000719477_100010886584 [0,1,0,0,1,0|2,0,0]=4 3720 B15R2.38 Clc1nccnc1Sc2ccccc2 62a_100010886584_100000041952 [0,1,0,0,1,0|2,0,0]=4 3721 B15R2.38 Clc1ncncc1Sc2ccccc2 62a_100000719477_100000758962 [0,1,0,0,1,0|2,0,0]=4 3722 B15R2.38 Clc1ncncc1Sc2ccccc2 62a_100000758962_100000041952 [0,1,0,0,1,0|2,0,0]=4 3723 B15R2.38 Fc1ccccc1Sc2ccccc2 62a_100000719477_100011215700 [0,1,0,0,1,0|0,0,0]=2 3724 B15R2.38 Fc1ccccc1Sc2ccccc2 62a_100011215700_100000041952 [0,1,0,0,1,0|0,0,0]=2 3725 B15R2.38 Fc1ccccc1Sc2ccccn2 62a_100011215700_100011216584 [0,1,0,0,1,0|1,0,0]=3 3726 B15R2.38 Fc1ccccc1Sc2ccccn2 62a_100011216584_100011215700 [0,1,0,0,1,0|1,0,0]=3 3727 B15R2.38 Fc1ccccc1Sc2cccnc2 62a_100000210063_100011215700 [0,1,0,0,1,0|1,0,0]=3 3728 B15R2.38 Fc1ccccc1Sc2cccnc2 62a_100011215700_100000210063 [0,1,0,0,1,0|1,0,0]=3 3729 B15R2.38 Fc1ccccc1Sc2cccnn2 62a_100011215700_100016991348 [0,1,0,0,1,0|2,0,0]=4 3730 B15R2.38 Fc1ccccc1Sc2cccnn2 62a_100016991348_100011215700 [0,1,0,0,1,0|2,0,0]=4 3731 B15R2.38 Fc1ccccc1Sc2ccncc2 62a_100000728582_100011215700 [0,1,0,0,1,0|1,0,0]=3 3732 B15R2.38 Fc1ccccc1Sc2ccncc2 62a_100011215700_100000728582 [0,1,0,0,1,0|1,0,0]=3 3733 B15R2.38 Fc1ccccc1Sc2ccncn2 62a_100000703185_100011215700 [0,1,0,0,1,0|2,0,0]=4 3734 B15R2.38 Fc1ccccc1Sc2ccncn2 62a_100011215700_100000703185 [0,1,0,0,1,0|2,0,0]=4 3735 B15R2.38 Fc1ccccc1Sc2ccnnc2 62a_100000732662_100011215700 [0,1,0,0,1,0|2,0,0]=4 3736 B15R2.38 Fc1ccccc1Sc2ccnnc2 62a_100011215700_100000732662 [0,1,0,0,1,0|2,0,0]=4 3737 B15R2.38 Fc1ccccc1Sc2cnccn2 62a_100000211759_100011215700 [0,1,0,0,1,0|2,0,0]=4 3738 B15R2.38 Fc1ccccc1Sc2cnccn2 62a_100011215700_100000211759 [0,1,0,0,1,0|2,0,0]=4 3739 B15R2.38 Fc1ccccc1Sc2cncnc2 62a_100011206942_100011215700 [0,1,0,0,1,0|2,0,0]=4 3740 B15R2.38 Fc1ccccc1Sc2cncnc2 62a_100011215700_100011206942 [0,1,0,0,1,0|2,0,0]=4 3741 B15R2.38 Fc1ccccc1Sc2ncccn2 62a_100000211032_100011215700 [0,1,0,0,1,0|2,0,0]=4 3742 B15R2.38 Fc1ccccc1Sc2ncccn2 62a_100011215700_100000211032 [0,1,0,0,1,0|2,0,0]=4 3743 B15R2.38 Fc1cccnc1Sc2ccccc2 62a_100000685392_100000041952 [0,1,0,0,1,0|1,0,0]=3 3744 B15R2.38 Fc1cccnc1Sc2ccccc2 62a_100000719477_100000685392 [0,1,0,0,1,0|1,0,0]=3 3745 B15R2.38 Fc1cccnc1Sc2ccccn2 62a_100000685392_100011216584 [0,1,0,0,1,0|2,0,0]=4 3746 B15R2.38 Fc1cccnc1Sc2ccccn2 62a_100011216584_100000685392 [0,1,0,0,1,0|2,0,0]=4 3747 B15R2.38 Fc1cccnc1Sc2cccnc2 62a_100000210063_100000685392 [0,1,0,0,1,0|2,0,0]=4 3748 B15R2.38 Fc1cccnc1Sc2cccnc2 62a_100000685392_100000210063 [0,1,0,0,1,0|2,0,0]=4 3749 B15R2.38 Fc1cccnc1Sc2ccncc2 62a_100000685392_100000728582 [0,1,0,0,1,0|2,0,0]=4 3750 B15R2.38 Fc1cccnc1Sc2ccncc2 62a_100000728582_100000685392 [0,1,0,0,1,0|2,0,0]=4 3751 B15R2.38 Fc1ccncc1Sc2ccccc2 62a_100000719477_100009820683 [0,1,0,0,1,0|1,0,0]=3 3752 B15R2.38 Fc1ccncc1Sc2ccccc2 62a_100009820683_100000041952 [0,1,0,0,1,0|1,0,0]=3 3753 B15R2.38 Fc1ccncc1Sc2ccccn2 62a_100009820683_100011216584 [0,1,0,0,1,0|2,0,0]=4 3754 B15R2.38 Fc1ccncc1Sc2ccccn2 62a_100011216584_100009820683 [0,1,0,0,1,0|2,0,0]=4 3755 B15R2.38 Fc1ccncc1Sc2cccnc2 62a_100000210063_100009820683 [0,1,0,0,1,0|2,0,0]=4 3756 B15R2.38 Fc1ccncc1Sc2cccnc2 62a_100009820683_100000210063 [0,1,0,0,1,0|2,0,0]=4 3757 B15R2.38 Fc1ccncc1Sc2ccncc2 62a_100000728582_100009820683 [0,1,0,0,1,0|2,0,0]=4 3758 B15R2.38 Fc1ccncc1Sc2ccncc2 62a_100009820683_100000728582 [0,1,0,0,1,0|2,0,0]=4 3759 B15R2.38 Fc1cnccc1Nc2ccccc2 27a_100000106764_100000035921 [0,1,0,0,1,0|2,0,0]=4 3760 B15R2.38 Fc1cnccc1Sc2ccccc2 62a_100000047030_100000041952 [0,1,0,0,1,0|1,0,0]=3 3761 B15R2.38 Fc1cnccc1Sc2ccccc2 62a_100000719477_100000047030 [0,1,0,0,1,0|1,0,0]=3 3762 B15R2.38 Fc1cnccc1Sc2ccccn2 62a_100000047030_100011216584 [0,1,0,0,1,0|2,0,0]=4 3763 B15R2.38 Fc1cnccc1Sc2ccccn2 62a_100011216584_100000047030 [0,1,0,0,1,0|2,0,0]=4 3764 B15R2.38 Fc1cnccc1Sc2cccnc2 62a_100000047030_100000210063 [0,1,0,0,1,0|2,0,0]=4 3765 B15R2.38 Fc1cnccc1Sc2cccnc2 62a_100000210063_100000047030 [0,1,0,0,1,0|2,0,0]=4 3766 B15R2.38 Fc1cnccc1Sc2ccncc2 62a_100000047030_100000728582 [0,1,0,0,1,0|2,0,0]=4 3767 B15R2.38 Fc1cnccc1Sc2ccncc2 62a_100000728582_100000047030 [0,1,0,0,1,0|2,0,0]=4 3768 B15R2.38 Fc1cncnc1Sc2ccccc2 62a_100000069762_100000041952 [0,1,0,0,1,0|2,0,0]=4 3769 B15R2.38 Fc1cncnc1Sc2ccccc2 62a_100000719477_100000069762 [0,1,0,0,1,0|2,0,0]=4 3770 B15R2.38 Fc1ncccc1Sc2ccccc2 62a_100000719477_100009816115 [0,1,0,0,1,0|1,0,0]=3 3771 B15R2.38 Fc1ncccc1Sc2ccccc2 62a_100009816115_100000041952 [0,1,0,0,1,0|1,0,0]=3 3772 B15R2.38 Fc1ncccc1Sc2ccccn2 62a_100009816115_100011216584 [0,1,0,0,1,0|2,0,0]=4 3773 B15R2.38 Fc1ncccc1Sc2ccccn2 62a_100011216584_100009816115 [0,1,0,0,1,0|2,0,0]=4 3774 B15R2.38 Fc1ncccc1Sc2cccnc2 62a_100000210063_100009816115 [0,1,0,0,1,0|2,0,0]=4 3775 B15R2.38 Fc1ncccc1Sc2cccnc2 62a_100009816115_100000210063 [0,1,0,0,1,0|2,0,0]=4 3776 B15R2.38 Fc1ncccc1Sc2ccncc2 62a_100000728582_100009816115 [0,1,0,0,1,0|2,0,0]=4 3777 B15R2.38 Fc1ncccc1Sc2ccncc2 62a_100009816115_100000728582 [0,1,0,0,1,0|2,0,0]=4 3778 B15R2.38 Fc1nccnc1Sc2ccccc2 62a_100000719477_200010125657 [0,1,0,0,1,0|2,0,0]=4 3779 B15R2.38 Fc1nccnc1Sc2ccccc2 62a_200010125657_100000041952 [0,1,0,0,1,0|2,0,0]=4 3780 B15R2.38 Nc1ccccc1Sc2ccccc2 62a_100000210017_100000041952 [0,1,0,0,1,0|0,0,0]=2 3781 B15R2.38 Nc1ccccc1Sc2ccccc2 62a_100000719477_100000210017 [0,1,0,0,1,0|0,0,0]=2 3782 B15R2.38 Nc1ccccc1Sc2ccccn2 62a_100000210017_100011216584 [0,1,0,0,1,0|1,0,0]=3 3783 B15R2.38 Nc1ccccc1Sc2ccccn2 62a_100011216584_100000210017 [0,1,0,0,1,0|1,0,0]=3 3784 B15R2.38 Nc1ccccc1Sc2cccnc2 62a_100000210017_100000210063 [0,1,0,0,1,0|1,0,0]=3 3785 B15R2.38 Nc1ccccc1Sc2cccnc2 62a_100000210063_100000210017 [0,1,0,0,1,0|1,0,0]=3 3786 B15R2.38 Nc1ccccc1Sc2cccnn2 62a_100000210017_100016991348 [0,1,0,0,1,0|2,0,0]=4 3787 B15R2.38 Nc1ccccc1Sc2cccnn2 62a_100016991348_100000210017 [0,1,0,0,1,0|2,0,0]=4 3788 B15R2.38 Nc1ccccc1Sc2ccncc2 62a_100000210017_100000728582 [0,1,0,0,1,0|1,0,0]=3 3789 B15R2.38 Nc1ccccc1Sc2ccncc2 62a_100000728582_100000210017 [0,1,0,0,1,0|1,0,0]=3 3790 B15R2.38 Nc1ccccc1Sc2ccncn2 62a_100000210017_100000703185 [0,1,0,0,1,0|2,0,0]=4 3791 B15R2.38 Nc1ccccc1Sc2ccncn2 62a_100000703185_100000210017 [0,1,0,0,1,0|2,0,0]=4 3792 B15R2.38 Nc1ccccc1Sc2ccnnc2 62a_100000210017_100000732662 [0,1,0,0,1,0|2,0,0]=4 3793 B15R2.38 Nc1ccccc1Sc2ccnnc2 62a_100000732662_100000210017 [0,1,0,0,1,0|2,0,0]=4 3794 B15R2.38 Nc1ccccc1Sc2cnccn2 62a_100000210017_100000211759 [0,1,0,0,1,0|2,0,0]=4 3795 B15R2.38 Nc1ccccc1Sc2cnccn2 62a_100000211759_100000210017 [0,1,0,0,1,0|2,0,0]=4 3796 B15R2.38 Nc1ccccc1Sc2cncnc2 62a_100000210017_100011206942 [0,1,0,0,1,0|2,0,0]=4 3797 B15R2.38 Nc1ccccc1Sc2cncnc2 62a_100011206942_100000210017 [0,1,0,0,1,0|2,0,0]=4 3798 B15R2.38 Nc1ccccc1Sc2ncccn2 62a_100000210017_100000211032 [0,1,0,0,1,0|2,0,0]=4 3799 B15R2.38 Nc1ccccc1Sc2ncccn2 62a_100000211032_100000210017 [0,1,0,0,1,0|2,0,0]=4 3800 B15R2.38 Nc1cccnc1Sc2ccccc2 62a_100000688686_100000041952 [0,1,0,0,1,0|1,0,0]=3 3801 B15R2.38 Nc1cccnc1Sc2ccccc2 62a_100000719477_100000688686 [0,1,0,0,1,0|1,0,0]=3 3802 B15R2.38 Nc1cccnc1Sc2ccccn2 62a_100000688686_100011216584 [0,1,0,0,1,0|2,0,0]=4 3803 B15R2.38 Nc1cccnc1Sc2ccccn2 62a_100011216584_100000688686 [0,1,0,0,1,0|2,0,0]=4 3804 B15R2.38 Nc1cccnc1Sc2cccnc2 62a_100000210063_100000688686 [0,1,0,0,1,0|2,0,0]=4 3805 B15R2.38 Nc1cccnc1Sc2cccnc2 62a_100000688686_100000210063 [0,1,0,0,1,0|2,0,0]=4 3806 B15R2.38 Nc1cccnc1Sc2ccncc2 62a_100000688686_100000728582 [0,1,0,0,1,0|2,0,0]=4 3807 B15R2.38 Nc1cccnc1Sc2ccncc2 62a_100000728582_100000688686 [0,1,0,0,1,0|2,0,0]=4 3808 B15R2.38 Nc1ccncc1Sc2ccccc2 62a_100000047001_100000041952 [0,1,0,0,1,0|1,0,0]=3 3809 B15R2.38 Nc1ccncc1Sc2ccccc2 62a_100000719477_100000047001 [0,1,0,0,1,0|1,0,0]=3 3810 B15R2.38 Nc1ccncc1Sc2ccccn2 62a_100000047001_100011216584 [0,1,0,0,1,0|2,0,0]=4 3811 B15R2.38 Nc1ccncc1Sc2ccccn2 62a_100011216584_100000047001 [0,1,0,0,1,0|2,0,0]=4 3812 B15R2.38 Nc1ccncc1Sc2cccnc2 62a_100000047001_100000210063 [0,1,0,0,1,0|2,0,0]=4 3813 B15R2.38 Nc1ccncc1Sc2cccnc2 62a_100000210063_100000047001 [0,1,0,0,1,0|2,0,0]=4 3814 B15R2.38 Nc1ccncc1Sc2ccncc2 62a_100000047001_100000728582 [0,1,0,0,1,0|2,0,0]=4 3815 B15R2.38 Nc1ccncc1Sc2ccncc2 62a_100000728582_100000047001 [0,1,0,0,1,0|2,0,0]=4 3816 B15R2.38 Nc1cnccc1Sc2ccccc2 62a_100000719477_100000756074 [0,1,0,0,1,0|1,0,0]=3 3817 B15R2.38 Nc1cnccc1Sc2ccccc2 62a_100000756074_100000041952 [0,1,0,0,1,0|1,0,0]=3 3818 B15R2.38 Nc1cnccc1Sc2ccccn2 62a_100000756074_100011216584 [0,1,0,0,1,0|2,0,0]=4 3819 B15R2.38 Nc1cnccc1Sc2ccccn2 62a_100011216584_100000756074 [0,1,0,0,1,0|2,0,0]=4 3820 B15R2.38 Nc1cnccc1Sc2cccnc2 62a_100000210063_100000756074 [0,1,0,0,1,0|2,0,0]=4 3821 B15R2.38 Nc1cnccc1Sc2cccnc2 62a_100000756074_100000210063 [0,1,0,0,1,0|2,0,0]=4 3822 B15R2.38 Nc1cnccc1Sc2ccncc2 62a_100000728582_100000756074 [0,1,0,0,1,0|2,0,0]=4 3823 B15R2.38 Nc1cnccc1Sc2ccncc2 62a_100000756074_100000728582 [0,1,0,0,1,0|2,0,0]=4 3824 B15R2.38 Nc1cncnc1Sc2ccccc2 62a_100000709731_100000041952 [0,1,0,0,1,0|2,0,0]=4 3825 B15R2.38 Nc1cncnc1Sc2ccccc2 62a_100000719477_100000709731 [0,1,0,0,1,0|2,0,0]=4 3826 B15R2.38 Nc1cnncc1Sc2ccccc2 62a_100000719477_100009829405 [0,1,0,0,1,0|2,0,0]=4 3827 B15R2.38 Nc1cnncc1Sc2ccccc2 62a_100009829405_100000041952 [0,1,0,0,1,0|2,0,0]=4 3828 B15R2.38 Nc1ncccc1Sc2ccccc2 62a_100000045569_100000041952 [0,1,0,0,1,0|1,0,0]=3 3829 B15R2.38 Nc1ncccc1Sc2ccccc2 62a_100000719477_100000045569 [0,1,0,0,1,0|1,0,0]=3 3830 B15R2.38 Nc1ncccc1Sc2ccccn2 62a_100000045569_100011216584 [0,1,0,0,1,0|2,0,0]=4 3831 B15R2.38 Nc1ncccc1Sc2ccccn2 62a_100011216584_100000045569 [0,1,0,0,1,0|2,0,0]=4 3832 B15R2.38 Nc1ncccc1Sc2cccnc2 62a_100000045569_100000210063 [0,1,0,0,1,0|2,0,0]=4 3833 B15R2.38 Nc1ncccc1Sc2cccnc2 62a_100000210063_100000045569 [0,1,0,0,1,0|2,0,0]=4 3834 B15R2.38 Nc1ncccc1Sc2ccncc2 62a_100000045569_100000728582 [0,1,0,0,1,0|2,0,0]=4 3835 B15R2.38 Nc1ncccc1Sc2ccncc2 62a_100000728582_100000045569 [0,1,0,0,1,0|2,0,0]=4 3836 B15R2.38 Nc1nccnc1Sc2ccccc2 62a_100000719477_100000747729 [0,1,0,0,1,0|2,0,0]=4 3837 B15R2.38 Nc1nccnc1Sc2ccccc2 62a_100000747729_100000041952 [0,1,0,0,1,0|2,0,0]=4 3838 B15R2.38 Nc1ncncc1Sc2ccccc2 62a_100000719477_100011996079 [0,1,0,0,1,0|2,0,0]=4 3839 B15R2.38 Nc1ncncc1Sc2ccccc2 62a_100011996079_100000041952 [0,1,0,0,1,0|2,0,0]=4 3840 B15R2.38 O=c1[nH]ccnc1Sc2ccccc2 62a_100000719477_100000763361 [0,1,0,0,1,0|2,0,0]=4 3841 B15R2.38 O=c1[nH]nccc1Sc2ccccc2 62a_100000719477_100000087129 [0,1,0,0,1,0|2,0,0]=4 3842 B15R2.38 O=c1cc[nH]cc1Sc2ccccc2 62a_100000719477_100009998708 [0,1,0,0,1,0|1,0,0]=3 3843 B15R2.38 O=c1cc[nH]cc1Sc2ccccc2 62a_100009998708_100000041952 [0,1,0,0,1,0|1,0,0]=3 3844 B15R2.38 O=c1cc[nH]cc1Sc2ccccn2 62a_100009998708_100011216584 [0,1,0,0,1,0|2,0,0]=4 3845 B15R2.38 O=c1cc[nH]cc1Sc2ccccn2 62a_100011216584_100009998708 [0,1,0,0,1,0|2,0,0]=4 3846 B15R2.38 O=c1cc[nH]cc1Sc2cccnc2 62a_100000210063_100009998708 [0,1,0,0,1,0|2,0,0]=4 3847 B15R2.38 O=c1cc[nH]cc1Sc2cccnc2 62a_100009998708_100000210063 [0,1,0,0,1,0|2,0,0]=4 3848 B15R2.38 O=c1cc[nH]cc1Sc2ccncc2 62a_100000728582_100009998708 [0,1,0,0,1,0|2,0,0]=4 3849 B15R2.38 O=c1cc[nH]cc1Sc2ccncc2 62a_100009998708_100000728582 [0,1,0,0,1,0|2,0,0]=4 3850 B15R2.38 Oc1ccccc1Cc2ccccc2 271570a_203496583355_200011216382 [0,1,0,0,1,0|1,0,0]=3 3851 B15R2.38 Oc1ccccc1Oc2ccccc2 271570a_203496583355_100000049502 [0,1,0,0,1,0|0,1,0]=3 3852 B15R2.38 Oc1ccccc1Sc2ccccc2 62a_100000719477_100000739446 [0,1,0,0,1,0|0,0,0]=2 3853 B15R2.38 Oc1ccccc1Sc2ccccc2 62a_100000739446_100000041952 [0,1,0,0,1,0|0,0,0]=2 3854 B15R2.38 Oc1ccccc1Sc2ccccn2 62a_100000739446_100011216584 [0,1,0,0,1,0|1,0,0]=3 3855 B15R2.38 Oc1ccccc1Sc2ccccn2 62a_100011216584_100000739446 [0,1,0,0,1,0|1,0,0]=3 3856 B15R2.38 Oc1ccccc1Sc2cccnc2 62a_100000210063_100000739446 [0,1,0,0,1,0|1,0,0]=3 3857 B15R2.38 Oc1ccccc1Sc2cccnc2 62a_100000739446_100000210063 [0,1,0,0,1,0|1,0,0]=3 3858 B15R2.38 Oc1ccccc1Sc2cccnn2 62a_100000739446_100016991348 [0,1,0,0,1,0|2,0,0]=4 3859 B15R2.38 Oc1ccccc1Sc2cccnn2 62a_100016991348_100000739446 [0,1,0,0,1,0|2,0,0]=4 3860 B15R2.38 Oc1ccccc1Sc2ccncc2 62a_100000728582_100000739446 [0,1,0,0,1,0|1,0,0]=3 3861 B15R2.38 Oc1ccccc1Sc2ccncc2 62a_100000739446_100000728582 [0,1,0,0,1,0|1,0,0]=3 3862 B15R2.38 Oc1ccccc1Sc2ccncn2 62a_100000703185_100000739446 [0,1,0,0,1,0|2,0,0]=4 3863 B15R2.38 Oc1ccccc1Sc2ccncn2 62a_100000739446_100000703185 [0,1,0,0,1,0|2,0,0]=4 3864 B15R2.38 Oc1ccccc1Sc2ccnnc2 62a_100000732662_100000739446 [0,1,0,0,1,0|2,0,0]=4 3865 B15R2.38 Oc1ccccc1Sc2ccnnc2 62a_100000739446_100000732662 [0,1,0,0,1,0|2,0,0]=4 3866 B15R2.38 Oc1ccccc1Sc2cnccn2 62a_100000211759_100000739446 [0,1,0,0,1,0|2,0,0]=4 3867 B15R2.38 Oc1ccccc1Sc2cnccn2 62a_100000739446_100000211759 [0,1,0,0,1,0|2,0,0]=4 3868 B15R2.38 Oc1ccccc1Sc2cncnc2 62a_100000739446_100011206942 [0,1,0,0,1,0|2,0,0]=4 3869 B15R2.38 Oc1ccccc1Sc2cncnc2 62a_100011206942_100000739446 [0,1,0,0,1,0|2,0,0]=4 3870 B15R2.38 Oc1ccccc1Sc2ncccn2 62a_100000211032_100000739446 [0,1,0,0,1,0|2,0,0]=4 3871 B15R2.38 Oc1ccccc1Sc2ncccn2 62a_100000739446_100000211032 [0,1,0,0,1,0|2,0,0]=4 3872 B15R2.38 Oc1cccnc1Sc2ccccc2 62a_100000034122_100000041952 [0,1,0,0,1,0|1,0,0]=3 3873 B15R2.38 Oc1cccnc1Sc2ccccc2 62a_100000719477_100000034122 [0,1,0,0,1,0|1,0,0]=3 3874 B15R2.38 Oc1cccnc1Sc2ccccn2 62a_100000034122_100011216584 [0,1,0,0,1,0|2,0,0]=4 3875 B15R2.38 Oc1cccnc1Sc2ccccn2 62a_100011216584_100000034122 [0,1,0,0,1,0|2,0,0]=4 3876 B15R2.38 Oc1cccnc1Sc2cccnc2 62a_100000034122_100000210063 [0,1,0,0,1,0|2,0,0]=4 3877 B15R2.38 Oc1cccnc1Sc2cccnc2 62a_100000210063_100000034122 [0,1,0,0,1,0|2,0,0]=4 3878 B15R2.38 Oc1cccnc1Sc2ccncc2 62a_100000034122_100000728582 [0,1,0,0,1,0|2,0,0]=4 3879 B15R2.38 Oc1cccnc1Sc2ccncc2 62a_100000728582_100000034122 [0,1,0,0,1,0|2,0,0]=4 3880 B15R2.38 Oc1cnccc1Sc2ccccc2 62a_100000719477_100009817591 [0,1,0,0,1,0|1,0,0]=3 3881 B15R2.38 Oc1cnccc1Sc2ccccc2 62a_100009817591_100000041952 [0,1,0,0,1,0|1,0,0]=3 3882 B15R2.38 Oc1cnccc1Sc2ccccn2 62a_100009817591_100011216584 [0,1,0,0,1,0|2,0,0]=4 3883 B15R2.38 Oc1cnccc1Sc2ccccn2 62a_100011216584_100009817591 [0,1,0,0,1,0|2,0,0]=4 3884 B15R2.38 Oc1cnccc1Sc2cccnc2 62a_100000210063_100009817591 [0,1,0,0,1,0|2,0,0]=4 3885 B15R2.38 Oc1cnccc1Sc2cccnc2 62a_100009817591_100000210063 [0,1,0,0,1,0|2,0,0]=4 3886 B15R2.38 Oc1cnccc1Sc2ccncc2 62a_100000728582_100009817591 [0,1,0,0,1,0|2,0,0]=4 3887 B15R2.38 Oc1cnccc1Sc2ccncc2 62a_100009817591_100000728582 [0,1,0,0,1,0|2,0,0]=4 3888 B15R2.38 Oc1ncccc1Sc2ccccc2 62a_100000719477_100000760158 [0,1,0,0,1,0|1,0,0]=3 3889 B15R2.38 Oc1ncccc1Sc2ccccc2 62a_100000760158_100000041952 [0,1,0,0,1,0|1,0,0]=3 3890 B15R2.38 Oc1ncccc1Sc2ccccn2 62a_100000760158_100011216584 [0,1,0,0,1,0|2,0,0]=4 3891 B15R2.38 Oc1ncccc1Sc2ccccn2 62a_100011216584_100000760158 [0,1,0,0,1,0|2,0,0]=4 3892 B15R2.38 Oc1ncccc1Sc2cccnc2 62a_100000210063_100000760158 [0,1,0,0,1,0|2,0,0]=4 3893 B15R2.38 Oc1ncccc1Sc2cccnc2 62a_100000760158_100000210063 [0,1,0,0,1,0|2,0,0]=4 3894 B15R2.38 Oc1ncccc1Sc2ccncc2 62a_100000728582_100000760158 [0,1,0,0,1,0|2,0,0]=4 3895 B15R2.38 Oc1ncccc1Sc2ccncc2 62a_100000760158_100000728582 [0,1,0,0,1,0|2,0,0]=4 3896 B15R2.38 Oc1ncncc1Sc2ccccc2 62a_100000719477_100000751107 [0,1,0,0,1,0|2,0,0]=4 3897 B15R2.38 Oc1ncncc1Sc2ccccc2 62a_100000751107_100000041952 [0,1,0,0,1,0|2,0,0]=4 3898 B15R2.38 S=c1cc[nH]cc1Sc2ccccc2 62a_100000719477_200012280681 [0,1,0,0,1,0|1,0,0]=3 3899 B15R2.38 S=c1cc[nH]cc1Sc2ccccc2 62a_200012280681_100000041952 [0,1,0,0,1,0|1,0,0]=3 3900 B15R2.38 S=c1cc[nH]cc1Sc2ccccn2 62a_100011216584_200012280681 [0,1,0,0,1,0|2,0,0]=4 3901 B15R2.38 S=c1cc[nH]cc1Sc2ccccn2 62a_200012280681_100011216584 [0,1,0,0,1,0|2,0,0]=4 3902 B15R2.38 S=c1cc[nH]cc1Sc2cccnc2 62a_100000210063_200012280681 [0,1,0,0,1,0|2,0,0]=4 3903 B15R2.38 S=c1cc[nH]cc1Sc2cccnc2 62a_200012280681_100000210063 [0,1,0,0,1,0|2,0,0]=4 3904 B15R2.38 S=c1cc[nH]cc1Sc2ccncc2 62a_100000728582_200012280681 [0,1,0,0,1,0|2,0,0]=4 3905 B15R2.38 S=c1cc[nH]cc1Sc2ccncc2 62a_200012280681_100000728582 [0,1,0,0,1,0|2,0,0]=4 3906 B15R2.38 [O-][n+]1ccccc1Sc2ccccc2 62a_100000719477_200000042595 [0,1,0,0,1,0|1,0,0]=3 3907 B15R2.38 [O-][n+]1ccccc1Sc2ccccn2 62a_100011216584_200000042595 [0,1,0,0,1,0|2,0,0]=4 3908 B15R2.38 [O-][n+]1ccccc1Sc2cccnc2 62a_100000210063_200000042595 [0,1,0,0,1,0|2,0,0]=4 3909 B15R2.38 [O-][n+]1ccccc1Sc2ccncc2 62a_100000728582_200000042595 [0,1,0,0,1,0|2,0,0]=4 3910 B15R2.2226 C=C(c1ccccc1)c2ccccc2 271570a_100000068269_100000210277 [0,1,0,0,1,0|1,0,0]=3 3911 B15R2.2226 C=C(c1ccccc1)c2ccccn2 271570a_100000068269_100011216584 [0,1,0,0,1,0|2,0,0]=4 3912 B15R2.2226 C=C(c1ccccc1)c2cccnc2 271570a_100000068269_100000752921 [0,1,0,0,1,0|2,0,0]=4 3913 B15R2.2226 C=C(c1ccccc1)c2ccncc2 271570a_100000068269_100000035832 [0,1,0,0,1,0|2,0,0]=4 3914 B15R2.55 Brc1ccsc1SCc2ccccc2 62a_100000211182_100012361411 [0,1,0,0,1,0|2,0,0]=4 3915 B15R2.55 Brc1ccsc1SCc2ccccc2 62a_100012361411_100015291786 [0,1,0,0,1,0|2,0,0]=4 3916 B15R2.55 Brc1cscc1SCc2ccccc2 62a_100000211182_100010143727 [0,1,0,0,1,0|2,0,0]=4 3917 B15R2.55 Brc1cscc1SCc2ccccc2 62a_100010143727_100015291786 [0,1,0,0,1,0|2,0,0]=4 3918 B15R2.55 Brc1sccc1CSc2ccccc2 62a_100000719477_100009814289 [0,1,0,0,1,0|2,0,0]=4 3919 B15R2.55 Brc1sccc1CSc2ccccc2 62a_100009814289_100000041952 [0,1,0,0,1,0|2,0,0]=4 3920 B15R2.55 Cc1ccsc1SCc2ccccc2 62a_100000211182_100010247149 [0,1,0,0,1,0|2,0,0]=4 3921 B15R2.55 Cc1ccsc1SCc2ccccc2 62a_100010247149_100015291786 [0,1,0,0,1,0|2,0,0]=4 3922 B15R2.55 Cc1cscc1SCc2ccccc2 62a_100000211182_100000759966 [0,1,0,0,1,0|2,0,0]=4 3923 B15R2.55 Cc1cscc1SCc2ccccc2 62a_100000759966_100015291786 [0,1,0,0,1,0|2,0,0]=4 3924 B15R2.55 Cc1sccc1SCc2ccccc2 62a_100000211182_100000684487 [0,1,0,0,1,0|2,0,0]=4 3925 B15R2.55 Cc1sccc1SCc2ccccc2 62a_100000684487_100015291786 [0,1,0,0,1,0|2,0,0]=4 3926 B15R2.55 Clc1sccc1CSc2ccccc2 62a_100000719477_100010167017 [0,1,0,0,1,0|2,0,0]=4 3927 B15R2.55 Clc1sccc1CSc2ccccc2 62a_100010167017_100000041952 [0,1,0,0,1,0|2,0,0]=4 3928 B15R2.100 Brc1ccc(cc1)CSc2ccco2 62a_100000189115_100009814098 [0,1,0,0,1,0|2,0,0]=4 3929 B15R2.100 Brc1ccc(cc1)CSc2ccco2 62a_100009814098_100000189115 [0,1,0,0,1,0|2,0,0]=4 3930 B15R2.100 Brc1ccc(cc1)CSc2cccs2 62a_100000189115_100011215356 [0,1,0,0,1,0|2,0,0]=4 3931 B15R2.100 Brc1ccc(cc1)CSc2cccs2 62a_100011215356_100000189115 [0,1,0,0,1,0|2,0,0]=4 3932 B15R2.100 Brc1ccc(cc1)CSc2ccoc2 62a_100000189115_100011215275 [0,1,0,0,1,0|2,0,0]=4 3933 B15R2.100 Brc1ccc(cc1)CSc2ccoc2 62a_100011215275_100000189115 [0,1,0,0,1,0|2,0,0]=4 3934 B15R2.100 Brc1ccc(cc1)CSc2ccsc2 62a_100000189115_100000738268 [0,1,0,0,1,0|2,0,0]=4 3935 B15R2.100 Brc1ccc(cc1)CSc2ccsc2 62a_100000738268_100000189115 [0,1,0,0,1,0|2,0,0]=4 3936 B15R2.100 Brc1ccc(cc1)SCc2ccsc2 62a_100000752885_100011233845 [0,1,0,0,1,0|2,0,0]=4 3937 B15R2.100 Brc1ccc(cc1)SCc2ccsc2 62a_100011261437_100000752885 [0,1,0,0,1,0|2,0,0]=4 3938 B15R2.100 Cc1ccc(cc1)CSc2ccco2 62a_100000210814_100009814098 [0,1,0,0,1,0|2,0,0]=4 3939 B15R2.100 Cc1ccc(cc1)CSc2ccco2 62a_100009814098_100000210814 [0,1,0,0,1,0|2,0,0]=4 3940 B15R2.100 Cc1ccc(cc1)CSc2cccs2 62a_100000210814_100011215356 [0,1,0,0,1,0|2,0,0]=4 3941 B15R2.100 Cc1ccc(cc1)CSc2cccs2 62a_100011215356_100000210814 [0,1,0,0,1,0|2,0,0]=4 3942 B15R2.100 Cc1ccc(cc1)CSc2ccoc2 62a_100000210814_100011215275 [0,1,0,0,1,0|2,0,0]=4 3943 B15R2.100 Cc1ccc(cc1)CSc2ccoc2 62a_100011215275_100000210814 [0,1,0,0,1,0|2,0,0]=4 3944 B15R2.100 Cc1ccc(cc1)CSc2ccsc2 62a_100000210814_100000738268 [0,1,0,0,1,0|2,0,0]=4 3945 B15R2.100 Cc1ccc(cc1)CSc2ccsc2 62a_100000738268_100000210814 [0,1,0,0,1,0|2,0,0]=4 3946 B15R2.100 Cc1ccc(cc1)SCc2ccsc2 62a_100000186775_100011233845 [0,1,0,0,1,0|2,0,0]=4 3947 B15R2.100 Cc1ccc(cc1)SCc2ccsc2 62a_100011261437_100000186775 [0,1,0,0,1,0|2,0,0]=4 3948 B15R2.100 Clc1ccc(cc1)CSc2ccco2 62a_100000187161_100009814098 [0,1,0,0,1,0|2,0,0]=4 3949 B15R2.100 Clc1ccc(cc1)CSc2ccco2 62a_100009814098_100000187161 [0,1,0,0,1,0|2,0,0]=4 3950 B15R2.100 Clc1ccc(cc1)CSc2cccs2 62a_100000187161_100011215356 [0,1,0,0,1,0|2,0,0]=4 3951 B15R2.100 Clc1ccc(cc1)CSc2cccs2 62a_100011215356_100000187161 [0,1,0,0,1,0|2,0,0]=4 3952 B15R2.100 Clc1ccc(cc1)CSc2ccoc2 62a_100000187161_100011215275 [0,1,0,0,1,0|2,0,0]=4 3953 B15R2.100 Clc1ccc(cc1)CSc2ccoc2 62a_100011215275_100000187161 [0,1,0,0,1,0|2,0,0]=4 3954 B15R2.100 Clc1ccc(cc1)CSc2ccsc2 62a_100000187161_100000738268 [0,1,0,0,1,0|2,0,0]=4 3955 B15R2.100 Clc1ccc(cc1)CSc2ccsc2 62a_100000738268_100000187161 [0,1,0,0,1,0|2,0,0]=4 3956 B15R2.100 Clc1ccc(cc1)SCc2ccsc2 62a_100000755918_100011233845 [0,1,0,0,1,0|2,0,0]=4 3957 B15R2.100 Clc1ccc(cc1)SCc2ccsc2 62a_100011261437_100000755918 [0,1,0,0,1,0|2,0,0]=4 3958 B15R2.100 Fc1ccc(cc1)CSc2ccco2 62a_100000198546_100009814098 [0,1,0,0,1,0|2,0,0]=4 3959 B15R2.100 Fc1ccc(cc1)CSc2ccco2 62a_100009814098_100000187164 [0,1,0,0,1,0|2,0,0]=4 3960 B15R2.100 Fc1ccc(cc1)CSc2cccs2 62a_100000198546_100011215356 [0,1,0,0,1,0|2,0,0]=4 3961 B15R2.100 Fc1ccc(cc1)CSc2cccs2 62a_100011215356_100000187164 [0,1,0,0,1,0|2,0,0]=4 3962 B15R2.100 Fc1ccc(cc1)CSc2ccoc2 62a_100000198546_100011215275 [0,1,0,0,1,0|2,0,0]=4 3963 B15R2.100 Fc1ccc(cc1)CSc2ccoc2 62a_100011215275_100000187164 [0,1,0,0,1,0|2,0,0]=4 3964 B15R2.100 Fc1ccc(cc1)CSc2ccsc2 62a_100000198546_100000738268 [0,1,0,0,1,0|2,0,0]=4 3965 B15R2.100 Fc1ccc(cc1)CSc2ccsc2 62a_100000738268_100000187164 [0,1,0,0,1,0|2,0,0]=4 3966 B15R2.100 Fc1ccc(cc1)SCc2ccsc2 62a_100000211213_100011233845 [0,1,0,0,1,0|2,0,0]=4 3967 B15R2.100 Fc1ccc(cc1)SCc2ccsc2 62a_100011261437_100000211213 [0,1,0,0,1,0|2,0,0]=4 3968 B15R2.100 Ic1ccc(cc1)CSc2ccco2 62a_100000189116_100009814098 [0,1,0,0,1,0|2,0,0]=4 3969 B15R2.100 Ic1ccc(cc1)CSc2ccco2 62a_100009814098_100000189116 [0,1,0,0,1,0|2,0,0]=4 3970 B15R2.100 Ic1ccc(cc1)CSc2cccs2 62a_100000189116_100011215356 [0,1,0,0,1,0|2,0,0]=4 3971 B15R2.100 Ic1ccc(cc1)CSc2cccs2 62a_100011215356_100000189116 [0,1,0,0,1,0|2,0,0]=4 3972 B15R2.100 Ic1ccc(cc1)CSc2ccoc2 62a_100000189116_100011215275 [0,1,0,0,1,0|2,0,0]=4 3973 B15R2.100 Ic1ccc(cc1)CSc2ccoc2 62a_100011215275_100000189116 [0,1,0,0,1,0|2,0,0]=4 3974 B15R2.100 Ic1ccc(cc1)CSc2ccsc2 62a_100000189116_100000738268 [0,1,0,0,1,0|2,0,0]=4 3975 B15R2.100 Ic1ccc(cc1)CSc2ccsc2 62a_100000738268_100000189116 [0,1,0,0,1,0|2,0,0]=4 3976 B15R2.100 Nc1ccc(cc1)SCc2ccsc2 62a_100000185761_100011233845 [0,1,0,0,1,0|2,0,0]=4 3977 B15R2.100 Nc1ccc(cc1)SCc2ccsc2 62a_100011261437_100000185761 [0,1,0,0,1,0|2,0,0]=4 3978 B15R2.100 Oc1ccc(cc1)SCc2ccsc2 62a_100011261437_100000185759 [0,1,0,0,1,0|2,0,0]=4 3979 B15R2.283 Brc1ccc(s1)CSc2ccccc2 62a_100000708592_100000041952 [0,1,0,0,1,0|2,0,0]=4 3980 B15R2.283 Brc1ccc(s1)CSc2ccccc2 62a_100000719477_100000708592 [0,1,0,0,1,0|2,0,0]=4 3981 B15R2.283 Brc1ccc(s1)SCc2ccccc2 62a_100000211182_100010197418 [0,1,0,0,1,0|2,0,0]=4 3982 B15R2.283 Brc1ccc(s1)SCc2ccccc2 62a_100010197418_100015291786 [0,1,0,0,1,0|2,0,0]=4 3983 B15R2.283 Brc1csc(c1)CSc2ccccc2 62a_100000719477_100000746031 [0,1,0,0,1,0|2,0,0]=4 3984 B15R2.283 Brc1csc(c1)CSc2ccccc2 62a_100000746031_100000041952 [0,1,0,0,1,0|2,0,0]=4 3985 B15R2.283 Cc1cc(cs1)SCc2ccccc2 62a_100000211182_100000759034 [0,1,0,0,1,0|2,0,0]=4 3986 B15R2.283 Cc1cc(cs1)SCc2ccccc2 62a_100000759034_100015291786 [0,1,0,0,1,0|2,0,0]=4 3987 B15R2.283 Cc1ccc(s1)SCc2ccccc2 62a_100000031368_100015291786 [0,1,0,0,1,0|2,0,0]=4 3988 B15R2.283 Cc1ccc(s1)SCc2ccccc2 62a_100000211182_100000031368 [0,1,0,0,1,0|2,0,0]=4 3989 B15R2.283 Cc1csc(c1)SCc2ccccc2 62a_100000211182_100009876951 [0,1,0,0,1,0|2,0,0]=4 3990 B15R2.283 Cc1csc(c1)SCc2ccccc2 62a_100009876951_100015291786 [0,1,0,0,1,0|2,0,0]=4 3991 B15R2.283 Clc1ccc(s1)CSc2ccccc2 62a_100000185097_100000041952 [0,1,0,0,1,0|2,0,0]=4 3992 B15R2.283 Clc1ccc(s1)CSc2ccccc2 62a_100000719477_100000185097 [0,1,0,0,1,0|2,0,0]=4 3993 B15R2.562 Brc1ccccc1CSc2ccco2 62a_100000184730_100009814098 [0,1,0,0,1,0|2,0,0]=4 3994 B15R2.562 Brc1ccccc1CSc2ccco2 62a_100009814098_100000184730 [0,1,0,0,1,0|2,0,0]=4 3995 B15R2.562 Brc1ccccc1CSc2cccs2 62a_100000184730_100011215356 [0,1,0,0,1,0|2,0,0]=4 3996 B15R2.562 Brc1ccccc1CSc2cccs2 62a_100011215356_100000184730 [0,1,0,0,1,0|2,0,0]=4 3997 B15R2.562 Brc1ccccc1CSc2ccoc2 62a_100000184730_100011215275 [0,1,0,0,1,0|2,0,0]=4 3998 B15R2.562 Brc1ccccc1CSc2ccoc2 62a_100011215275_100000184730 [0,1,0,0,1,0|2,0,0]=4 3999 B15R2.562 Brc1ccccc1CSc2ccsc2 62a_100000184730_100000738268 [0,1,0,0,1,0|2,0,0]=4 4000 B15R2.562 Brc1ccccc1CSc2ccsc2 62a_100000738268_100000184730 [0,1,0,0,1,0|2,0,0]=4 4001 B15R2.562 Brc1ccccc1SCc2ccsc2 62a_100000695589_100011233845 [0,1,0,0,1,0|2,0,0]=4 4002 B15R2.562 Brc1ccccc1SCc2ccsc2 62a_100011261437_100000695589 [0,1,0,0,1,0|2,0,0]=4 4003 B15R2.562 Cc1ccccc1CSc2ccco2 62a_100000211839_100009814098 [0,1,0,0,1,0|2,0,0]=4 4004 B15R2.562 Cc1ccccc1CSc2ccco2 62a_100009814098_100000211839 [0,1,0,0,1,0|2,0,0]=4 4005 B15R2.562 Cc1ccccc1CSc2cccs2 62a_100000211839_100011215356 [0,1,0,0,1,0|2,0,0]=4 4006 B15R2.562 Cc1ccccc1CSc2cccs2 62a_100011215356_100000211839 [0,1,0,0,1,0|2,0,0]=4 4007 B15R2.562 Cc1ccccc1CSc2ccoc2 62a_100000211839_100011215275 [0,1,0,0,1,0|2,0,0]=4 4008 B15R2.562 Cc1ccccc1CSc2ccoc2 62a_100011215275_100000211839 [0,1,0,0,1,0|2,0,0]=4 4009 B15R2.562 Cc1ccccc1CSc2ccsc2 62a_100000211839_100000738268 [0,1,0,0,1,0|2,0,0]=4 4010 B15R2.562 Cc1ccccc1CSc2ccsc2 62a_100000738268_100000211839 [0,1,0,0,1,0|2,0,0]=4 4011 B15R2.562 Cc1ccccc1SCc2ccsc2 62a_100000210755_100011233845 [0,1,0,0,1,0|2,0,0]=4 4012 B15R2.562 Cc1ccccc1SCc2ccsc2 62a_100011261437_100000210755 [0,1,0,0,1,0|2,0,0]=4 4013 B15R2.562 Clc1ccccc1CSc2ccco2 62a_100000187162_100009814098 [0,1,0,0,1,0|2,0,0]=4 4014 B15R2.562 Clc1ccccc1CSc2ccco2 62a_100009814098_100000187162 [0,1,0,0,1,0|2,0,0]=4 4015 B15R2.562 Clc1ccccc1CSc2cccs2 62a_100000187162_100011215356 [0,1,0,0,1,0|2,0,0]=4 4016 B15R2.562 Clc1ccccc1CSc2cccs2 62a_100011215356_100000187162 [0,1,0,0,1,0|2,0,0]=4 4017 B15R2.562 Clc1ccccc1CSc2ccoc2 62a_100000187162_100011215275 [0,1,0,0,1,0|2,0,0]=4 4018 B15R2.562 Clc1ccccc1CSc2ccoc2 62a_100011215275_100000187162 [0,1,0,0,1,0|2,0,0]=4 4019 B15R2.562 Clc1ccccc1CSc2ccsc2 62a_100000187162_100000738268 [0,1,0,0,1,0|2,0,0]=4 4020 B15R2.562 Clc1ccccc1CSc2ccsc2 62a_100000738268_100000187162 [0,1,0,0,1,0|2,0,0]=4 4021 B15R2.562 Clc1ccccc1SCc2ccsc2 62a_100000764095_100011233845 [0,1,0,0,1,0|2,0,0]=4 4022 B15R2.562 Clc1ccccc1SCc2ccsc2 62a_100011261437_100000764095 [0,1,0,0,1,0|2,0,0]=4 4023 B15R2.562 Fc1ccccc1CSc2ccco2 62a_100000211605_100009814098 [0,1,0,0,1,0|2,0,0]=4 4024 B15R2.562 Fc1ccccc1CSc2ccco2 62a_100009814098_100000211605 [0,1,0,0,1,0|2,0,0]=4 4025 B15R2.562 Fc1ccccc1CSc2cccs2 62a_100000211605_100011215356 [0,1,0,0,1,0|2,0,0]=4 4026 B15R2.562 Fc1ccccc1CSc2cccs2 62a_100011215356_100000211605 [0,1,0,0,1,0|2,0,0]=4 4027 B15R2.562 Fc1ccccc1CSc2ccoc2 62a_100000211605_100011215275 [0,1,0,0,1,0|2,0,0]=4 4028 B15R2.562 Fc1ccccc1CSc2ccoc2 62a_100011215275_100000211605 [0,1,0,0,1,0|2,0,0]=4 4029 B15R2.562 Fc1ccccc1CSc2ccsc2 62a_100000211605_100000738268 [0,1,0,0,1,0|2,0,0]=4 4030 B15R2.562 Fc1ccccc1CSc2ccsc2 62a_100000738268_100000211605 [0,1,0,0,1,0|2,0,0]=4 4031 B15R2.562 Fc1ccccc1SCc2ccsc2 62a_100011215700_100011233845 [0,1,0,0,1,0|2,0,0]=4 4032 B15R2.562 Fc1ccccc1SCc2ccsc2 62a_100011261437_100011215700 [0,1,0,0,1,0|2,0,0]=4 4033 B15R2.562 Ic1ccccc1CSc2ccco2 62a_100009814098_100011216222 [0,1,0,0,1,0|2,0,0]=4 4034 B15R2.562 Ic1ccccc1CSc2ccco2 62a_100011216222_100009814098 [0,1,0,0,1,0|2,0,0]=4 4035 B15R2.562 Ic1ccccc1CSc2cccs2 62a_100011215356_100011216222 [0,1,0,0,1,0|2,0,0]=4 4036 B15R2.562 Ic1ccccc1CSc2cccs2 62a_100011216222_100011215356 [0,1,0,0,1,0|2,0,0]=4 4037 B15R2.562 Ic1ccccc1CSc2ccoc2 62a_100011215275_100011216222 [0,1,0,0,1,0|2,0,0]=4 4038 B15R2.562 Ic1ccccc1CSc2ccoc2 62a_100011216222_100011215275 [0,1,0,0,1,0|2,0,0]=4 4039 B15R2.562 Ic1ccccc1CSc2ccsc2 62a_100000738268_100011216222 [0,1,0,0,1,0|2,0,0]=4 4040 B15R2.562 Ic1ccccc1CSc2ccsc2 62a_100011216222_100000738268 [0,1,0,0,1,0|2,0,0]=4 4041 B15R2.562 Nc1ccccc1SCc2ccsc2 62a_100000210017_100011233845 [0,1,0,0,1,0|2,0,0]=4 4042 B15R2.562 Nc1ccccc1SCc2ccsc2 62a_100011261437_100000210017 [0,1,0,0,1,0|2,0,0]=4 4043 B15R2.562 Oc1ccccc1SCc2ccsc2 62a_100000739446_100011233845 [0,1,0,0,1,0|2,0,0]=4 4044 B15R2.562 Oc1ccccc1SCc2ccsc2 62a_100011261437_100000739446 [0,1,0,0,1,0|2,0,0]=4 4045 B15R2.1117 Brc1cccc(c1)CSc2ccco2 62a_100000211773_100009814098 [0,1,0,0,1,0|2,0,0]=4 4046 B15R2.1117 Brc1cccc(c1)CSc2ccco2 62a_100009814098_100000211773 [0,1,0,0,1,0|2,0,0]=4 4047 B15R2.1117 Brc1cccc(c1)CSc2cccs2 62a_100000211773_100011215356 [0,1,0,0,1,0|2,0,0]=4 4048 B15R2.1117 Brc1cccc(c1)CSc2cccs2 62a_100011215356_100000211773 [0,1,0,0,1,0|2,0,0]=4 4049 B15R2.1117 Brc1cccc(c1)CSc2ccoc2 62a_100000211773_100011215275 [0,1,0,0,1,0|2,0,0]=4 4050 B15R2.1117 Brc1cccc(c1)CSc2ccoc2 62a_100011215275_100000211773 [0,1,0,0,1,0|2,0,0]=4 4051 B15R2.1117 Brc1cccc(c1)CSc2ccsc2 62a_100000211773_100000738268 [0,1,0,0,1,0|2,0,0]=4 4052 B15R2.1117 Brc1cccc(c1)CSc2ccsc2 62a_100000738268_100000211773 [0,1,0,0,1,0|2,0,0]=4 4053 B15R2.1117 Brc1cccc(c1)SCc2ccsc2 62a_100000691529_100011233845 [0,1,0,0,1,0|2,0,0]=4 4054 B15R2.1117 Brc1cccc(c1)SCc2ccsc2 62a_100011261437_100000691529 [0,1,0,0,1,0|2,0,0]=4 4055 B15R2.1117 Cc1cccc(c1)CSc2ccco2 62a_100000211840_100009814098 [0,1,0,0,1,0|2,0,0]=4 4056 B15R2.1117 Cc1cccc(c1)CSc2ccco2 62a_100009814098_100000211840 [0,1,0,0,1,0|2,0,0]=4 4057 B15R2.1117 Cc1cccc(c1)CSc2cccs2 62a_100000211840_100011215356 [0,1,0,0,1,0|2,0,0]=4 4058 B15R2.1117 Cc1cccc(c1)CSc2cccs2 62a_100011215356_100000211840 [0,1,0,0,1,0|2,0,0]=4 4059 B15R2.1117 Cc1cccc(c1)CSc2ccoc2 62a_100000211840_100011215275 [0,1,0,0,1,0|2,0,0]=4 4060 B15R2.1117 Cc1cccc(c1)CSc2ccoc2 62a_100011215275_100000211840 [0,1,0,0,1,0|2,0,0]=4 4061 B15R2.1117 Cc1cccc(c1)CSc2ccsc2 62a_100000211840_100000738268 [0,1,0,0,1,0|2,0,0]=4 4062 B15R2.1117 Cc1cccc(c1)CSc2ccsc2 62a_100000738268_100000211840 [0,1,0,0,1,0|2,0,0]=4 4063 B15R2.1117 Cc1cccc(c1)SCc2ccsc2 62a_100011215228_100011233845 [0,1,0,0,1,0|2,0,0]=4 4064 B15R2.1117 Cc1cccc(c1)SCc2ccsc2 62a_100011261437_100011215228 [0,1,0,0,1,0|2,0,0]=4 4065 B15R2.1117 Clc1cccc(c1)CSc2ccco2 62a_100000187163_100009814098 [0,1,0,0,1,0|2,0,0]=4 4066 B15R2.1117 Clc1cccc(c1)CSc2ccco2 62a_100009814098_100000187163 [0,1,0,0,1,0|2,0,0]=4 4067 B15R2.1117 Clc1cccc(c1)CSc2cccs2 62a_100000187163_100011215356 [0,1,0,0,1,0|2,0,0]=4 4068 B15R2.1117 Clc1cccc(c1)CSc2cccs2 62a_100011215356_100000187163 [0,1,0,0,1,0|2,0,0]=4 4069 B15R2.1117 Clc1cccc(c1)CSc2ccoc2 62a_100000187163_100011215275 [0,1,0,0,1,0|2,0,0]=4 4070 B15R2.1117 Clc1cccc(c1)CSc2ccoc2 62a_100011215275_100000187163 [0,1,0,0,1,0|2,0,0]=4 4071 B15R2.1117 Clc1cccc(c1)CSc2ccsc2 62a_100000187163_100000738268 [0,1,0,0,1,0|2,0,0]=4 4072 B15R2.1117 Clc1cccc(c1)CSc2ccsc2 62a_100000738268_100000187163 [0,1,0,0,1,0|2,0,0]=4 4073 B15R2.1117 Clc1cccc(c1)SCc2ccsc2 62a_100000699651_100011233845 [0,1,0,0,1,0|2,0,0]=4 4074 B15R2.1117 Clc1cccc(c1)SCc2ccsc2 62a_100011261437_100000699651 [0,1,0,0,1,0|2,0,0]=4 4075 B15R2.1117 Fc1cccc(c1)CSc2ccco2 62a_100000230114_100009814098 [0,1,0,0,1,0|2,0,0]=4 4076 B15R2.1117 Fc1cccc(c1)CSc2ccco2 62a_100009814098_100000230114 [0,1,0,0,1,0|2,0,0]=4 4077 B15R2.1117 Fc1cccc(c1)CSc2cccs2 62a_100000230114_100011215356 [0,1,0,0,1,0|2,0,0]=4 4078 B15R2.1117 Fc1cccc(c1)CSc2cccs2 62a_100011215356_100000230114 [0,1,0,0,1,0|2,0,0]=4 4079 B15R2.1117 Fc1cccc(c1)CSc2ccoc2 62a_100000230114_100011215275 [0,1,0,0,1,0|2,0,0]=4 4080 B15R2.1117 Fc1cccc(c1)CSc2ccoc2 62a_100011215275_100000230114 [0,1,0,0,1,0|2,0,0]=4 4081 B15R2.1117 Fc1cccc(c1)CSc2ccsc2 62a_100000230114_100000738268 [0,1,0,0,1,0|2,0,0]=4 4082 B15R2.1117 Fc1cccc(c1)CSc2ccsc2 62a_100000738268_100000230114 [0,1,0,0,1,0|2,0,0]=4 4083 B15R2.1117 Fc1cccc(c1)SCc2ccsc2 62a_100000685547_100011233845 [0,1,0,0,1,0|2,0,0]=4 4084 B15R2.1117 Fc1cccc(c1)SCc2ccsc2 62a_100011261437_100000685547 [0,1,0,0,1,0|2,0,0]=4 4085 B15R2.1117 Ic1cccc(c1)CSc2ccco2 62a_100009814098_100011218688 [0,1,0,0,1,0|2,0,0]=4 4086 B15R2.1117 Ic1cccc(c1)CSc2ccco2 62a_100011218688_100009814098 [0,1,0,0,1,0|2,0,0]=4 4087 B15R2.1117 Ic1cccc(c1)CSc2cccs2 62a_100011215356_100011218688 [0,1,0,0,1,0|2,0,0]=4 4088 B15R2.1117 Ic1cccc(c1)CSc2cccs2 62a_100011218688_100011215356 [0,1,0,0,1,0|2,0,0]=4 4089 B15R2.1117 Ic1cccc(c1)CSc2ccoc2 62a_100011215275_100011218688 [0,1,0,0,1,0|2,0,0]=4 4090 B15R2.1117 Ic1cccc(c1)CSc2ccoc2 62a_100011218688_100011215275 [0,1,0,0,1,0|2,0,0]=4 4091 B15R2.1117 Ic1cccc(c1)CSc2ccsc2 62a_100000738268_100011218688 [0,1,0,0,1,0|2,0,0]=4 4092 B15R2.1117 Ic1cccc(c1)CSc2ccsc2 62a_100011218688_100000738268 [0,1,0,0,1,0|2,0,0]=4 4093 B15R2.1117 Nc1cccc(c1)SCc2ccsc2 62a_100000210019_100011233845 [0,1,0,0,1,0|2,0,0]=4 4094 B15R2.1117 Nc1cccc(c1)SCc2ccsc2 62a_100011261437_100000210019 [0,1,0,0,1,0|2,0,0]=4 4095 B15R2.1117 Oc1cccc(c1)CSc2ccco2 62a_100009814098_100011660834 [0,1,0,0,1,0|2,0,0]=4 4096 B15R2.1117 Oc1cccc(c1)CSc2ccco2 62a_100011660834_100009814098 [0,1,0,0,1,0|2,0,0]=4 4097 B15R2.1117 Oc1cccc(c1)CSc2cccs2 62a_100011215356_100011660834 [0,1,0,0,1,0|2,0,0]=4 4098 B15R2.1117 Oc1cccc(c1)CSc2cccs2 62a_100011660834_100011215356 [0,1,0,0,1,0|2,0,0]=4 4099 B15R2.1117 Oc1cccc(c1)CSc2ccoc2 62a_100011215275_100011660834 [0,1,0,0,1,0|2,0,0]=4 4100 B15R2.1117 Oc1cccc(c1)CSc2ccoc2 62a_100011660834_100011215275 [0,1,0,0,1,0|2,0,0]=4 4101 B15R2.1117 Oc1cccc(c1)CSc2ccsc2 62a_100000738268_100011660834 [0,1,0,0,1,0|2,0,0]=4 4102 B15R2.1117 Oc1cccc(c1)CSc2ccsc2 62a_100011660834_100000738268 [0,1,0,0,1,0|2,0,0]=4 4103 B15R2.1117 Oc1cccc(c1)SCc2ccsc2 62a_100011261437_100000211634 [0,1,0,0,1,0|2,0,0]=4 4104 B15R2.1117 [S]c1cccc(c1)SCc2ccsc2 62a_100011261437_114929384022 [0,1,0,0,1,0|2,0,0]=4 4105 B15R2.1117 [S]c1cccc(c1)SCc2ccsc2 62a_114929384022_100011233845 [0,1,0,0,1,0|2,0,0]=4 4106 B15R2.1259 CC(Sc1ccco1)c2ccccc2 62a_100000230085_100009814098 [0,1,0,0,1,0|2,0,0]=4 4107 B15R2.1259 CC(Sc1ccco1)c2ccccc2 62a_100009814098_100000230085 [0,1,0,0,1,0|2,0,0]=4 4108 B15R2.1259 CC(Sc1cccs1)c2ccccc2 62a_100000230085_100011215356 [0,1,0,0,1,0|2,0,0]=4 4109 B15R2.1259 CC(Sc1cccs1)c2ccccc2 62a_100011215356_100000230085 [0,1,0,0,1,0|2,0,0]=4 4110 B15R2.1259 CC(Sc1ccoc1)c2ccccc2 62a_100000230085_100011215275 [0,1,0,0,1,0|2,0,0]=4 4111 B15R2.1259 CC(Sc1ccoc1)c2ccccc2 62a_100011215275_100000230085 [0,1,0,0,1,0|2,0,0]=4 4112 B15R2.1259 CC(Sc1ccsc1)c2ccccc2 62a_100000230085_100000738268 [0,1,0,0,1,0|2,0,0]=4 4113 B15R2.1259 CC(Sc1ccsc1)c2ccccc2 62a_100000738268_100000230085 [0,1,0,0,1,0|2,0,0]=4 4114 B17R2.143 CC(Cc1ccccc1)Nc2ccccc2 34a_100000106764_200011218536 [0,1,0,0,0,1|2,0,0]=4 4115 B17R2.143 CC(Cc1ccccc1)Oc2ccccc2 34a_100000210340_200011218536 [0,1,0,0,0,1|1,1,0]=4 4116 B17R2.143 CC(Cc1ccccc1)Oc2ccccc2 7a_100000210340_200011218536 [0,1,0,0,0,1|1,1,0]=4 4117 B17R2.143 CC(Cc1ccccc1)Sc2ccccc2 62a_100000719477_200011218536 [0,1,0,0,0,1|1,0,0]=3 4118 B17R2.143 CC(Cc1ccccc1)Sc2ccccc2 62a_200011218536_100000041952 [0,1,0,0,0,1|1,0,0]=3 4119 B17R2.143 CC(Cc1ccccc1)Sc2ccccn2 62a_100011216584_200011218536 [0,1,0,0,0,1|2,0,0]=4 4120 B17R2.143 CC(Cc1ccccc1)Sc2ccccn2 62a_200011218536_100011216584 [0,1,0,0,0,1|2,0,0]=4 4121 B17R2.143 CC(Cc1ccccc1)Sc2cccnc2 62a_100000210063_200011218536 [0,1,0,0,0,1|2,0,0]=4 4122 B17R2.143 CC(Cc1ccccc1)Sc2cccnc2 62a_200011218536_100000210063 [0,1,0,0,0,1|2,0,0]=4 4123 B17R2.143 CC(Cc1ccccc1)Sc2ccncc2 62a_100000728582_200011218536 [0,1,0,0,0,1|2,0,0]=4 4124 B17R2.143 CC(Cc1ccccc1)Sc2ccncc2 62a_200011218536_100000728582 [0,1,0,0,0,1|2,0,0]=4 4125 B17R2.143 CN(Cc1ccccc1)Cc2ccccc2 2230a_100000185734_200000210301 [0,1,0,0,0,1|2,0,0]=4 4126 B17R2.143 CN(Cc1ccccc1)Cc2ccccc2 2230a_100000186898_100015291786 [0,1,0,0,0,1|2,0,0]=4 4127 B17R2.143 CN(Cc1ccccc1)Cc2ccccc2 269982a_100000185734_200000210301 [0,1,0,0,0,1|2,0,0]=4 4128 B17R2.143 CN(Cc1ccccc1)Cc2ccccc2 269982a_100000186898_100000211182 [0,1,0,0,0,1|2,0,0]=4 4129 B17R2.143 CN(Cc1ccccc1)Cc2ccccc2 270004a_100000186898_100015611070 [0,1,0,0,0,1|2,0,0]=4 4130 B17R2.143 [13CH3]N(Cc1ccccc1)Cc2ccccc2 2230a_100000185734_200025704644 [0,1,0,0,0,1|2,0,0]=4 4131 B17R2.143 [13CH3]N(Cc1ccccc1)Cc2ccccc2 269982a_100000185734_200025704644 [0,1,0,0,0,1|2,0,0]=4 4132 B17R2.216 Brc1ccc(cc1)C=CCc2ccccc2 271570a_200016263579_100000752885 [0,1,0,0,0,1|2,0,0]=4 4133 B17R2.216 Brc1ccc(cc1)C=NNc2ccccc2 4a_100015195140_100000186029 [0,1,0,0,0,1|2,0,0]=4 4134 B17R2.216 Brc1ccc(cc1)CCNc2ccccc2 34a_100000106764_100011740612 [0,1,0,0,0,1|2,0,0]=4 4135 B17R2.216 Brc1ccc(cc1)CCOc2ccccc2 34a_100000210340_100011740612 [0,1,0,0,0,1|1,1,0]=4 4136 B17R2.216 Brc1ccc(cc1)CCOc2ccccc2 7a_100000210340_100011740612 [0,1,0,0,0,1|1,1,0]=4 4137 B17R2.216 Brc1ccc(cc1)CCSc2ccccc2 62a_100000719477_100011740612 [0,1,0,0,0,1|1,0,0]=3 4138 B17R2.216 Brc1ccc(cc1)CCSc2ccccc2 62a_100011740612_100000041952 [0,1,0,0,0,1|1,0,0]=3 4139 B17R2.216 Brc1ccc(cc1)CCSc2ccccn2 62a_100011216584_100011740612 [0,1,0,0,0,1|2,0,0]=4 4140 B17R2.216 Brc1ccc(cc1)CCSc2ccccn2 62a_100011740612_100011216584 [0,1,0,0,0,1|2,0,0]=4 4141 B17R2.216 Brc1ccc(cc1)CCSc2cccnc2 62a_100000210063_100011740612 [0,1,0,0,0,1|2,0,0]=4 4142 B17R2.216 Brc1ccc(cc1)CCSc2cccnc2 62a_100011740612_100000210063 [0,1,0,0,0,1|2,0,0]=4 4143 B17R2.216 Brc1ccc(cc1)CCSc2ccncc2 62a_100000728582_100011740612 [0,1,0,0,0,1|2,0,0]=4 4144 B17R2.216 Brc1ccc(cc1)CCSc2ccncc2 62a_100011740612_100000728582 [0,1,0,0,0,1|2,0,0]=4 4145 B17R2.216 Brc1ccc(cc1)CNCc2ccccc2 207a_100000174875_100015611070 [0,1,0,0,0,1|2,0,0]=4 4146 B17R2.216 Brc1ccc(cc1)CNCc2ccccc2 207a_100015324214_100000186029 [0,1,0,0,0,1|2,0,0]=4 4147 B17R2.216 Brc1ccc(cc1)CNCc2ccccc2 2230a_100000174875_100015291786 [0,1,0,0,0,1|2,0,0]=4 4148 B17R2.216 Brc1ccc(cc1)CNCc2ccccc2 2230a_100015324214_100011217064 [0,1,0,0,0,1|2,0,0]=4 4149 B17R2.216 Brc1ccc(cc1)CNCc2ccccc2 270004a_100000174875_100015611070 [0,1,0,0,0,1|2,0,0]=4 4150 B17R2.216 Brc1ccc(cc1)CNCc2ccccc2 270004a_100015324214_100000186029 [0,1,0,0,0,1|2,0,0]=4 4151 B17R2.216 Brc1ccc(cc1)CNCc2ccccc2 34a_100000174875_100015291786 [0,1,0,0,0,1|2,0,0]=4 4152 B17R2.216 Brc1ccc(cc1)CNCc2ccccc2 34a_100015324214_100000189115 [0,1,0,0,0,1|2,0,0]=4 4153 B17R2.216 Brc1ccc(cc1)COCc2ccccc2 34a_100000210790_100000189115 [0,1,0,0,0,1|1,1,0]=4 4154 B17R2.216 Brc1ccc(cc1)COCc2ccccc2 34a_100000695286_100015291786 [0,1,0,0,0,1|1,1,0]=4 4155 B17R2.216 Brc1ccc(cc1)COCc2ccccc2 7a_100000210790_100011217064 [0,1,0,0,0,1|1,1,0]=4 4156 B17R2.216 Brc1ccc(cc1)CSCc2ccccc2 62a_100000189115_100015291786 [0,1,0,0,0,1|1,0,0]=3 4157 B17R2.216 Brc1ccc(cc1)CSCc2ccccc2 62a_100000211182_100000189115 [0,1,0,0,0,1|1,0,0]=3 4158 B17R2.216 Brc1ccc(cc1)CSCc2ccccn2 62a_100000189115_100000721315 [0,1,0,0,0,1|2,0,0]=4 4159 B17R2.216 Brc1ccc(cc1)CSCc2ccccn2 62a_100000721315_100000189115 [0,1,0,0,0,1|2,0,0]=4 4160 B17R2.216 Brc1ccc(cc1)CSCc2cccnc2 62a_100000189115_100000741622 [0,1,0,0,0,1|2,0,0]=4 4161 B17R2.216 Brc1ccc(cc1)CSCc2cccnc2 62a_100000741622_100000189115 [0,1,0,0,0,1|2,0,0]=4 4162 B17R2.216 Brc1ccc(cc1)CSCc2ccncc2 62a_100000189115_100015193705 [0,1,0,0,0,1|2,0,0]=4 4163 B17R2.216 Brc1ccc(cc1)CSCc2ccncc2 62a_100015193705_100000189115 [0,1,0,0,0,1|2,0,0]=4 4164 B17R2.216 Brc1ccc(cc1)NCCc2ccccc2 2230a_100000210018_100000765856 [0,1,0,0,0,1|2,0,0]=4 4165 B17R2.216 Brc1ccc(cc1)NCCc2ccccc2 34a_100000210018_100000765856 [0,1,0,0,0,1|2,0,0]=4 4166 B17R2.216 Brc1ccc(cc1)NCSc2ccccc2 2230a_100000210018_100011218342 [0,1,0,0,0,1|1,0,0]=3 4167 B17R2.216 Brc1ccc(cc1)NN=Cc2ccccc2 4a_100000735608_100015611070 [0,1,0,0,0,1|2,0,0]=4 4168 B17R2.216 Brc1ccc(cc1)OCCc2ccccc2 34a_100000185759_100000765856 [0,1,0,0,0,1|1,1,0]=4 4169 B17R2.216 Brc1ccc(cc1)OCCc2ccccc2 7a_100000185759_100000765856 [0,1,0,0,0,1|1,1,0]=4 4170 B17R2.216 Brc1ccc(cc1)SCCc2ccccc2 62a_100000752885_100011218657 [0,1,0,0,0,1|1,0,0]=3 4171 B17R2.216 Brc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000752885 [0,1,0,0,0,1|1,0,0]=3 4172 B17R2.216 Brc1ccc(cc1)SCCc2ccccn2 62a_100000752885_100015183660 [0,1,0,0,0,1|2,0,0]=4 4173 B17R2.216 Brc1ccc(cc1)SCCc2ccccn2 62a_100015183660_100000752885 [0,1,0,0,0,1|2,0,0]=4 4174 B17R2.216 Brc1ccc(cc1)SCCc2cccnc2 62a_100000752885_200011713674 [0,1,0,0,0,1|2,0,0]=4 4175 B17R2.216 Brc1ccc(cc1)SCCc2cccnc2 62a_200011713674_100000752885 [0,1,0,0,0,1|2,0,0]=4 4176 B17R2.216 Brc1ccc(cc1)SCCc2ccncc2 62a_100000723409_100000752885 [0,1,0,0,0,1|2,0,0]=4 4177 B17R2.216 Brc1ccc(cc1)SCCc2ccncc2 62a_100000752885_100000723409 [0,1,0,0,0,1|2,0,0]=4 4178 B17R2.216 Brc1ccc(cc1)SCSc2ccccc2 62a_100000752885_100011218342 [0,1,0,0,0,1|0,0,0]=2 4179 B17R2.216 Brc1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000752885 [0,1,0,0,0,1|0,0,0]=2 4180 B17R2.216 Brc1ccc(cn1)CSCc2ccccc2 62a_100000211182_100009831999 [0,1,0,0,0,1|2,0,0]=4 4181 B17R2.216 Brc1ccc(cn1)CSCc2ccccc2 62a_100009831999_100015291786 [0,1,0,0,0,1|2,0,0]=4 4182 B17R2.216 Brc1ccc(cn1)SCCc2ccccc2 62a_100000765856_100009814638 [0,1,0,0,0,1|2,0,0]=4 4183 B17R2.216 Brc1ccc(cn1)SCCc2ccccc2 62a_100009814638_100011218657 [0,1,0,0,0,1|2,0,0]=4 4184 B17R2.216 Brc1ccc(cn1)SCSc2ccccc2 62a_100009814638_100011218342 [0,1,0,0,0,1|1,0,0]=3 4185 B17R2.216 Brc1ccc(cn1)SCSc2ccccc2 62a_100011218342_100009814638 [0,1,0,0,0,1|1,0,0]=3 4186 B17R2.216 Brc1ccc(nc1)CSCc2ccccc2 62a_100000211182_100000702658 [0,1,0,0,0,1|2,0,0]=4 4187 B17R2.216 Brc1ccc(nc1)CSCc2ccccc2 62a_100000702658_100015291786 [0,1,0,0,0,1|2,0,0]=4 4188 B17R2.216 Brc1ccc(nc1)SCCc2ccccc2 62a_100000686858_100011218657 [0,1,0,0,0,1|2,0,0]=4 4189 B17R2.216 Brc1ccc(nc1)SCCc2ccccc2 62a_100000765856_100000686858 [0,1,0,0,0,1|2,0,0]=4 4190 B17R2.216 Brc1ccc(nc1)SCSc2ccccc2 62a_100000686858_100011218342 [0,1,0,0,0,1|1,0,0]=3 4191 B17R2.216 Brc1ccc(nc1)SCSc2ccccc2 62a_100011218342_100000686858 [0,1,0,0,0,1|1,0,0]=3 4192 B17R2.216 Brc1cnc(cn1)SCSc2ccccc2 62a_100010187541_100011218342 [0,1,0,0,0,1|2,0,0]=4 4193 B17R2.216 Brc1cnc(cn1)SCSc2ccccc2 62a_100011218342_100010187541 [0,1,0,0,0,1|2,0,0]=4 4194 B17R2.216 Brc1cnc(nc1)SCSc2ccccc2 62a_100000690281_100011218342 [0,1,0,0,0,1|2,0,0]=4 4195 B17R2.216 Brc1cnc(nc1)SCSc2ccccc2 62a_100011218342_100000690281 [0,1,0,0,0,1|2,0,0]=4 4196 B17R2.216 Brc1ncc(cn1)SCSc2ccccc2 62a_100011218342_200012349914 [0,1,0,0,0,1|2,0,0]=4 4197 B17R2.216 Brc1ncc(cn1)SCSc2ccccc2 62a_200012349914_100011218342 [0,1,0,0,0,1|2,0,0]=4 4198 B17R2.216 Cc1ccc(cc1)C=CCc2ccccc2 271570a_200016263579_100000186775 [0,1,0,0,0,1|2,0,0]=4 4199 B17R2.216 Cc1ccc(cc1)C=NNc2ccccc2 4a_100015195140_100000211033 [0,1,0,0,0,1|2,0,0]=4 4200 B17R2.216 Cc1ccc(cc1)CCNc2ccccc2 34a_100000106764_100011713686 [0,1,0,0,0,1|2,0,0]=4 4201 B17R2.216 Cc1ccc(cc1)CCOc2ccccc2 34a_100000210340_100011713686 [0,1,0,0,0,1|1,1,0]=4 4202 B17R2.216 Cc1ccc(cc1)CCOc2ccccc2 7a_100000210340_100011713686 [0,1,0,0,0,1|1,1,0]=4 4203 B17R2.216 Cc1ccc(cc1)CCSc2ccccc2 62a_100000719477_100011713686 [0,1,0,0,0,1|1,0,0]=3 4204 B17R2.216 Cc1ccc(cc1)CCSc2ccccc2 62a_100011713686_100000041952 [0,1,0,0,0,1|1,0,0]=3 4205 B17R2.216 Cc1ccc(cc1)CCSc2ccccn2 62a_100011216584_100011713686 [0,1,0,0,0,1|2,0,0]=4 4206 B17R2.216 Cc1ccc(cc1)CCSc2ccccn2 62a_100011713686_100011216584 [0,1,0,0,0,1|2,0,0]=4 4207 B17R2.216 Cc1ccc(cc1)CCSc2cccnc2 62a_100000210063_100011713686 [0,1,0,0,0,1|2,0,0]=4 4208 B17R2.216 Cc1ccc(cc1)CCSc2cccnc2 62a_100011713686_100000210063 [0,1,0,0,0,1|2,0,0]=4 4209 B17R2.216 Cc1ccc(cc1)CCSc2ccncc2 62a_100000728582_100011713686 [0,1,0,0,0,1|2,0,0]=4 4210 B17R2.216 Cc1ccc(cc1)CCSc2ccncc2 62a_100011713686_100000728582 [0,1,0,0,0,1|2,0,0]=4 4211 B17R2.216 Cc1ccc(cc1)CNCc2ccccc2 207a_100000174908_100015611070 [0,1,0,0,0,1|2,0,0]=4 4212 B17R2.216 Cc1ccc(cc1)CNCc2ccccc2 207a_100015324214_100000211033 [0,1,0,0,0,1|2,0,0]=4 4213 B17R2.216 Cc1ccc(cc1)CNCc2ccccc2 2230a_100000174908_100015291786 [0,1,0,0,0,1|2,0,0]=4 4214 B17R2.216 Cc1ccc(cc1)CNCc2ccccc2 2230a_100015324214_100000210814 [0,1,0,0,0,1|2,0,0]=4 4215 B17R2.216 Cc1ccc(cc1)CNCc2ccccc2 270004a_100000174908_100015611070 [0,1,0,0,0,1|2,0,0]=4 4216 B17R2.216 Cc1ccc(cc1)CNCc2ccccc2 270004a_100015324214_100000211033 [0,1,0,0,0,1|2,0,0]=4 4217 B17R2.216 Cc1ccc(cc1)CNCc2ccccc2 34a_100000174908_100015291786 [0,1,0,0,0,1|2,0,0]=4 4218 B17R2.216 Cc1ccc(cc1)CNCc2ccccc2 34a_100015324214_100000210814 [0,1,0,0,0,1|2,0,0]=4 4219 B17R2.216 Cc1ccc(cc1)COCc2ccccc2 34a_100000210790_100000210814 [0,1,0,0,0,1|1,1,0]=4 4220 B17R2.216 Cc1ccc(cc1)COCc2ccccc2 34a_100011215236_100015291786 [0,1,0,0,0,1|1,1,0]=4 4221 B17R2.216 Cc1ccc(cc1)COCc2ccccc2 7a_100000210790_100000210814 [0,1,0,0,0,1|1,1,0]=4 4222 B17R2.216 Cc1ccc(cc1)COCc2ccccc2 7a_100011215236_100000211182 [0,1,0,0,0,1|1,1,0]=4 4223 B17R2.216 Cc1ccc(cc1)CSCc2ccccc2 62a_100000210814_100015291786 [0,1,0,0,0,1|1,0,0]=3 4224 B17R2.216 Cc1ccc(cc1)CSCc2ccccc2 62a_100000211182_100000210814 [0,1,0,0,0,1|1,0,0]=3 4225 B17R2.216 Cc1ccc(cc1)CSCc2ccccn2 62a_100000210814_100000721315 [0,1,0,0,0,1|2,0,0]=4 4226 B17R2.216 Cc1ccc(cc1)CSCc2ccccn2 62a_100000721315_100000210814 [0,1,0,0,0,1|2,0,0]=4 4227 B17R2.216 Cc1ccc(cc1)CSCc2cccnc2 62a_100000210814_100000741622 [0,1,0,0,0,1|2,0,0]=4 4228 B17R2.216 Cc1ccc(cc1)CSCc2cccnc2 62a_100000741622_100000210814 [0,1,0,0,0,1|2,0,0]=4 4229 B17R2.216 Cc1ccc(cc1)CSCc2ccncc2 62a_100000210814_100015193705 [0,1,0,0,0,1|2,0,0]=4 4230 B17R2.216 Cc1ccc(cc1)CSCc2ccncc2 62a_100015193705_100000210814 [0,1,0,0,0,1|2,0,0]=4 4231 B17R2.216 Cc1ccc(cc1)NCCc2ccccc2 34a_100000124888_100000765856 [0,1,0,0,0,1|2,0,0]=4 4232 B17R2.216 Cc1ccc(cc1)NN=Cc2ccccc2 4a_100000683527_100015611070 [0,1,0,0,0,1|2,0,0]=4 4233 B17R2.216 Cc1ccc(cc1)OCCc2ccccc2 34a_100000210336_100000765856 [0,1,0,0,0,1|1,1,0]=4 4234 B17R2.216 Cc1ccc(cc1)OCCc2ccccc2 7a_100000210336_100000765856 [0,1,0,0,0,1|1,1,0]=4 4235 B17R2.216 Cc1ccc(cc1)SCCc2ccccc2 62a_100000186775_100011218657 [0,1,0,0,0,1|1,0,0]=3 4236 B17R2.216 Cc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000186775 [0,1,0,0,0,1|1,0,0]=3 4237 B17R2.216 Cc1ccc(cc1)SCCc2ccccn2 62a_100000186775_100015183660 [0,1,0,0,0,1|2,0,0]=4 4238 B17R2.216 Cc1ccc(cc1)SCCc2ccccn2 62a_100015183660_100000186775 [0,1,0,0,0,1|2,0,0]=4 4239 B17R2.216 Cc1ccc(cc1)SCCc2cccnc2 62a_100000186775_200011713674 [0,1,0,0,0,1|2,0,0]=4 4240 B17R2.216 Cc1ccc(cc1)SCCc2cccnc2 62a_200011713674_100000186775 [0,1,0,0,0,1|2,0,0]=4 4241 B17R2.216 Cc1ccc(cc1)SCCc2ccncc2 62a_100000186775_100000723409 [0,1,0,0,0,1|2,0,0]=4 4242 B17R2.216 Cc1ccc(cc1)SCCc2ccncc2 62a_100000723409_100000186775 [0,1,0,0,0,1|2,0,0]=4 4243 B17R2.216 Cc1ccc(cc1)SCSc2ccccc2 62a_100000186775_100011218342 [0,1,0,0,0,1|0,0,0]=2 4244 B17R2.216 Cc1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000186775 [0,1,0,0,0,1|0,0,0]=2 4245 B17R2.216 Cc1ccc(cn1)CSCc2ccccc2 62a_100000211182_100016987292 [0,1,0,0,0,1|2,0,0]=4 4246 B17R2.216 Cc1ccc(cn1)CSCc2ccccc2 62a_100016987292_100015291786 [0,1,0,0,0,1|2,0,0]=4 4247 B17R2.216 Cc1ccc(cn1)SCCc2ccccc2 62a_100000751577_100011218657 [0,1,0,0,0,1|2,0,0]=4 4248 B17R2.216 Cc1ccc(cn1)SCCc2ccccc2 62a_100000765856_100000751577 [0,1,0,0,0,1|2,0,0]=4 4249 B17R2.216 Cc1ccc(cn1)SCSc2ccccc2 62a_100000751577_100011218342 [0,1,0,0,0,1|1,0,0]=3 4250 B17R2.216 Cc1ccc(cn1)SCSc2ccccc2 62a_100011218342_100000751577 [0,1,0,0,0,1|1,0,0]=3 4251 B17R2.216 Cc1ccc(nc1)CSCc2ccccc2 62a_100000211182_100000691093 [0,1,0,0,0,1|2,0,0]=4 4252 B17R2.216 Cc1ccc(nc1)CSCc2ccccc2 62a_100000691093_100015291786 [0,1,0,0,0,1|2,0,0]=4 4253 B17R2.216 Cc1ccc(nc1)SCCc2ccccc2 62a_100000765856_100000754016 [0,1,0,0,0,1|2,0,0]=4 4254 B17R2.216 Cc1ccc(nc1)SCCc2ccccc2 62a_100011192072_100011218657 [0,1,0,0,0,1|2,0,0]=4 4255 B17R2.216 Cc1ccc(nc1)SCSc2ccccc2 62a_100011192072_100011218342 [0,1,0,0,0,1|1,0,0]=3 4256 B17R2.216 Cc1ccc(nc1)SCSc2ccccc2 62a_100011218342_100000754016 [0,1,0,0,0,1|1,0,0]=3 4257 B17R2.216 Cc1ccc(nn1)SCSc2ccccc2 62a_100000744512_100011218342 [0,1,0,0,0,1|2,0,0]=4 4258 B17R2.216 Cc1ccc(nn1)SCSc2ccccc2 62a_100011218342_100000744512 [0,1,0,0,0,1|2,0,0]=4 4259 B17R2.216 Cc1cnc(cn1)SCSc2ccccc2 62a_100011218342_100011999403 [0,1,0,0,0,1|2,0,0]=4 4260 B17R2.216 Cc1cnc(cn1)SCSc2ccccc2 62a_100011999403_100011218342 [0,1,0,0,0,1|2,0,0]=4 4261 B17R2.216 Cc1cnc(nc1)SCSc2ccccc2 62a_100000061069_100011218342 [0,1,0,0,0,1|2,0,0]=4 4262 B17R2.216 Cc1cnc(nc1)SCSc2ccccc2 62a_100011218342_100000061069 [0,1,0,0,0,1|2,0,0]=4 4263 B17R2.216 Cc1ncc(cn1)SCSc2ccccc2 62a_100000686985_100011218342 [0,1,0,0,0,1|2,0,0]=4 4264 B17R2.216 Cc1ncc(cn1)SCSc2ccccc2 62a_100011218342_100000686985 [0,1,0,0,0,1|2,0,0]=4 4265 B17R2.216 Clc1ccc(cc1)C=CCc2ccccc2 271570a_200016263579_100000755918 [0,1,0,0,0,1|2,0,0]=4 4266 B17R2.216 Clc1ccc(cc1)C=NNc2ccccc2 4a_100015195140_100000189385 [0,1,0,0,0,1|2,0,0]=4 4267 B17R2.216 Clc1ccc(cc1)CCNc2ccccc2 34a_100000106764_100011713675 [0,1,0,0,0,1|2,0,0]=4 4268 B17R2.216 Clc1ccc(cc1)CCOc2ccccc2 34a_100000210340_100011713675 [0,1,0,0,0,1|1,1,0]=4 4269 B17R2.216 Clc1ccc(cc1)CCOc2ccccc2 7a_100000210340_100011713675 [0,1,0,0,0,1|1,1,0]=4 4270 B17R2.216 Clc1ccc(cc1)CCSc2ccccc2 62a_100000719477_100011713675 [0,1,0,0,0,1|1,0,0]=3 4271 B17R2.216 Clc1ccc(cc1)CCSc2ccccc2 62a_100011713675_100000041952 [0,1,0,0,0,1|1,0,0]=3 4272 B17R2.216 Clc1ccc(cc1)CCSc2ccccn2 62a_100011216584_100011713675 [0,1,0,0,0,1|2,0,0]=4 4273 B17R2.216 Clc1ccc(cc1)CCSc2ccccn2 62a_100011713675_100011216584 [0,1,0,0,0,1|2,0,0]=4 4274 B17R2.216 Clc1ccc(cc1)CCSc2cccnc2 62a_100000210063_100011713675 [0,1,0,0,0,1|2,0,0]=4 4275 B17R2.216 Clc1ccc(cc1)CCSc2cccnc2 62a_100011713675_100000210063 [0,1,0,0,0,1|2,0,0]=4 4276 B17R2.216 Clc1ccc(cc1)CCSc2ccncc2 62a_100000728582_100011713675 [0,1,0,0,0,1|2,0,0]=4 4277 B17R2.216 Clc1ccc(cc1)CCSc2ccncc2 62a_100011713675_100000728582 [0,1,0,0,0,1|2,0,0]=4 4278 B17R2.216 Clc1ccc(cc1)CNCc2ccccc2 207a_100000174871_100015611070 [0,1,0,0,0,1|2,0,0]=4 4279 B17R2.216 Clc1ccc(cc1)CNCc2ccccc2 207a_100015324214_100000189385 [0,1,0,0,0,1|2,0,0]=4 4280 B17R2.216 Clc1ccc(cc1)CNCc2ccccc2 2230a_100000174871_100015291786 [0,1,0,0,0,1|2,0,0]=4 4281 B17R2.216 Clc1ccc(cc1)CNCc2ccccc2 2230a_100015324214_100000694040 [0,1,0,0,0,1|2,0,0]=4 4282 B17R2.216 Clc1ccc(cc1)CNCc2ccccc2 270004a_100000174871_100015611070 [0,1,0,0,0,1|2,0,0]=4 4283 B17R2.216 Clc1ccc(cc1)CNCc2ccccc2 270004a_100015324214_100000189385 [0,1,0,0,0,1|2,0,0]=4 4284 B17R2.216 Clc1ccc(cc1)CNCc2ccccc2 34a_100000174871_100015291786 [0,1,0,0,0,1|2,0,0]=4 4285 B17R2.216 Clc1ccc(cc1)CNCc2ccccc2 34a_100015324214_100000694040 [0,1,0,0,0,1|2,0,0]=4 4286 B17R2.216 Clc1ccc(cc1)COCc2ccccc2 34a_100000210790_100000694040 [0,1,0,0,0,1|1,1,0]=4 4287 B17R2.216 Clc1ccc(cc1)COCc2ccccc2 34a_100000211118_100015291786 [0,1,0,0,0,1|1,1,0]=4 4288 B17R2.216 Clc1ccc(cc1)COCc2ccccc2 7a_100000210790_100000187161 [0,1,0,0,0,1|1,1,0]=4 4289 B17R2.216 Clc1ccc(cc1)COCc2ccccc2 7a_100000211118_100000211182 [0,1,0,0,0,1|1,1,0]=4 4290 B17R2.216 Clc1ccc(cc1)CSCc2ccccc2 62a_100000187161_100015291786 [0,1,0,0,0,1|1,0,0]=3 4291 B17R2.216 Clc1ccc(cc1)CSCc2ccccc2 62a_100000211182_100000187161 [0,1,0,0,0,1|1,0,0]=3 4292 B17R2.216 Clc1ccc(cc1)CSCc2ccccn2 62a_100000187161_100000721315 [0,1,0,0,0,1|2,0,0]=4 4293 B17R2.216 Clc1ccc(cc1)CSCc2ccccn2 62a_100000721315_100000187161 [0,1,0,0,0,1|2,0,0]=4 4294 B17R2.216 Clc1ccc(cc1)CSCc2cccnc2 62a_100000187161_100000741622 [0,1,0,0,0,1|2,0,0]=4 4295 B17R2.216 Clc1ccc(cc1)CSCc2cccnc2 62a_100000741622_100000187161 [0,1,0,0,0,1|2,0,0]=4 4296 B17R2.216 Clc1ccc(cc1)CSCc2ccncc2 62a_100000187161_100015193705 [0,1,0,0,0,1|2,0,0]=4 4297 B17R2.216 Clc1ccc(cc1)CSCc2ccncc2 62a_100015193705_100000187161 [0,1,0,0,0,1|2,0,0]=4 4298 B17R2.216 Clc1ccc(cc1)NCCc2ccccc2 2230a_100000210052_100000765856 [0,1,0,0,0,1|2,0,0]=4 4299 B17R2.216 Clc1ccc(cc1)NCCc2ccccc2 34a_100000210052_100000765856 [0,1,0,0,0,1|2,0,0]=4 4300 B17R2.216 Clc1ccc(cc1)NCSc2ccccc2 2230a_100000210052_100011218342 [0,1,0,0,0,1|1,0,0]=3 4301 B17R2.216 Clc1ccc(cc1)NN=Cc2ccccc2 4a_100000683521_100015611070 [0,1,0,0,0,1|2,0,0]=4 4302 B17R2.216 Clc1ccc(cc1)OCCc2ccccc2 34a_100000210216_100000765856 [0,1,0,0,0,1|1,1,0]=4 4303 B17R2.216 Clc1ccc(cc1)OCCc2ccccc2 7a_100000210216_100000765856 [0,1,0,0,0,1|1,1,0]=4 4304 B17R2.216 Clc1ccc(cc1)SCCc2ccccc2 62a_100000755918_100011218657 [0,1,0,0,0,1|1,0,0]=3 4305 B17R2.216 Clc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000755918 [0,1,0,0,0,1|1,0,0]=3 4306 B17R2.216 Clc1ccc(cc1)SCCc2ccccn2 62a_100000755918_100015183660 [0,1,0,0,0,1|2,0,0]=4 4307 B17R2.216 Clc1ccc(cc1)SCCc2ccccn2 62a_100015183660_100000755918 [0,1,0,0,0,1|2,0,0]=4 4308 B17R2.216 Clc1ccc(cc1)SCCc2cccnc2 62a_100000755918_200011713674 [0,1,0,0,0,1|2,0,0]=4 4309 B17R2.216 Clc1ccc(cc1)SCCc2cccnc2 62a_200011713674_100000755918 [0,1,0,0,0,1|2,0,0]=4 4310 B17R2.216 Clc1ccc(cc1)SCCc2ccncc2 62a_100000723409_100000755918 [0,1,0,0,0,1|2,0,0]=4 4311 B17R2.216 Clc1ccc(cc1)SCCc2ccncc2 62a_100000755918_100000723409 [0,1,0,0,0,1|2,0,0]=4 4312 B17R2.216 Clc1ccc(cc1)SCSc2ccccc2 62a_100000755918_100011218342 [0,1,0,0,0,1|0,0,0]=2 4313 B17R2.216 Clc1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000755918 [0,1,0,0,0,1|0,0,0]=2 4314 B17R2.216 Clc1ccc(cn1)CSCc2ccccc2 62a_100000211182_100000735431 [0,1,0,0,0,1|2,0,0]=4 4315 B17R2.216 Clc1ccc(cn1)CSCc2ccccc2 62a_100000735431_100015291786 [0,1,0,0,0,1|2,0,0]=4 4316 B17R2.216 Clc1ccc(cn1)SCCc2ccccc2 62a_100000034144_100011218657 [0,1,0,0,0,1|2,0,0]=4 4317 B17R2.216 Clc1ccc(cn1)SCCc2ccccc2 62a_100000765856_100000034144 [0,1,0,0,0,1|2,0,0]=4 4318 B17R2.216 Clc1ccc(cn1)SCSc2ccccc2 62a_100000034144_100011218342 [0,1,0,0,0,1|1,0,0]=3 4319 B17R2.216 Clc1ccc(cn1)SCSc2ccccc2 62a_100011218342_100000034144 [0,1,0,0,0,1|1,0,0]=3 4320 B17R2.216 Clc1ccc(nc1)CSCc2ccccc2 62a_100000211182_100000697101 [0,1,0,0,0,1|2,0,0]=4 4321 B17R2.216 Clc1ccc(nc1)CSCc2ccccc2 62a_100012066911_100015291786 [0,1,0,0,0,1|2,0,0]=4 4322 B17R2.216 Clc1ccc(nc1)SCCc2ccccc2 62a_100000765856_100011356976 [0,1,0,0,0,1|2,0,0]=4 4323 B17R2.216 Clc1ccc(nc1)SCCc2ccccc2 62a_100011356976_100011218657 [0,1,0,0,0,1|2,0,0]=4 4324 B17R2.216 Clc1ccc(nc1)SCSc2ccccc2 62a_100011218342_100011356976 [0,1,0,0,0,1|1,0,0]=3 4325 B17R2.216 Clc1ccc(nc1)SCSc2ccccc2 62a_100011356976_100011218342 [0,1,0,0,0,1|1,0,0]=3 4326 B17R2.216 Clc1ccc(nn1)SCSc2ccccc2 62a_100000068654_100011218342 [0,1,0,0,0,1|2,0,0]=4 4327 B17R2.216 Clc1ccc(nn1)SCSc2ccccc2 62a_100011218342_100000068654 [0,1,0,0,0,1|2,0,0]=4 4328 B17R2.216 Clc1cnc(cn1)SCSc2ccccc2 62a_100010214907_100011218342 [0,1,0,0,0,1|2,0,0]=4 4329 B17R2.216 Clc1cnc(cn1)SCSc2ccccc2 62a_100011218342_100010214907 [0,1,0,0,0,1|2,0,0]=4 4330 B17R2.216 Clc1cnc(nc1)SCSc2ccccc2 62a_100011218342_100011356929 [0,1,0,0,0,1|2,0,0]=4 4331 B17R2.216 Clc1cnc(nc1)SCSc2ccccc2 62a_100011356929_100011218342 [0,1,0,0,0,1|2,0,0]=4 4332 B17R2.216 Clc1ncc(cn1)SCSc2ccccc2 62a_100000059775_100011218342 [0,1,0,0,0,1|2,0,0]=4 4333 B17R2.216 Clc1ncc(cn1)SCSc2ccccc2 62a_100011218342_100000059775 [0,1,0,0,0,1|2,0,0]=4 4334 B17R2.216 Fc1ccc(cc1)C=CCc2ccccc2 271570a_200016263579_100000211213 [0,1,0,0,0,1|2,0,0]=4 4335 B17R2.216 Fc1ccc(cc1)C=NNc2ccccc2 4a_100015195140_100000210084 [0,1,0,0,0,1|2,0,0]=4 4336 B17R2.216 Fc1ccc(cc1)CCNc2ccccc2 34a_100000106764_100011217392 [0,1,0,0,0,1|2,0,0]=4 4337 B17R2.216 Fc1ccc(cc1)CCOc2ccccc2 34a_100000210340_100011217392 [0,1,0,0,0,1|1,1,0]=4 4338 B17R2.216 Fc1ccc(cc1)CCOc2ccccc2 7a_100000210340_100011217392 [0,1,0,0,0,1|1,1,0]=4 4339 B17R2.216 Fc1ccc(cc1)CCSc2ccccc2 62a_100000719477_100011217392 [0,1,0,0,0,1|1,0,0]=3 4340 B17R2.216 Fc1ccc(cc1)CCSc2ccccc2 62a_100011217392_100000041952 [0,1,0,0,0,1|1,0,0]=3 4341 B17R2.216 Fc1ccc(cc1)CCSc2ccccn2 62a_100011216584_100011217392 [0,1,0,0,0,1|2,0,0]=4 4342 B17R2.216 Fc1ccc(cc1)CCSc2ccccn2 62a_100011217392_100011216584 [0,1,0,0,0,1|2,0,0]=4 4343 B17R2.216 Fc1ccc(cc1)CCSc2cccnc2 62a_100000210063_100011217392 [0,1,0,0,0,1|2,0,0]=4 4344 B17R2.216 Fc1ccc(cc1)CCSc2cccnc2 62a_100011217392_100000210063 [0,1,0,0,0,1|2,0,0]=4 4345 B17R2.216 Fc1ccc(cc1)CCSc2ccncc2 62a_100000728582_100011217392 [0,1,0,0,0,1|2,0,0]=4 4346 B17R2.216 Fc1ccc(cc1)CCSc2ccncc2 62a_100011217392_100000728582 [0,1,0,0,0,1|2,0,0]=4 4347 B17R2.216 Fc1ccc(cc1)CNCc2ccccc2 207a_100000174882_100015611070 [0,1,0,0,0,1|2,0,0]=4 4348 B17R2.216 Fc1ccc(cc1)CNCc2ccccc2 207a_100015324214_100000210084 [0,1,0,0,0,1|2,0,0]=4 4349 B17R2.216 Fc1ccc(cc1)CNCc2ccccc2 2230a_100000174882_100015291786 [0,1,0,0,0,1|2,0,0]=4 4350 B17R2.216 Fc1ccc(cc1)CNCc2ccccc2 2230a_100015324214_100000198546 [0,1,0,0,0,1|2,0,0]=4 4351 B17R2.216 Fc1ccc(cc1)CNCc2ccccc2 270004a_100000174882_100015611070 [0,1,0,0,0,1|2,0,0]=4 4352 B17R2.216 Fc1ccc(cc1)CNCc2ccccc2 270004a_100015324214_100000210084 [0,1,0,0,0,1|2,0,0]=4 4353 B17R2.216 Fc1ccc(cc1)CNCc2ccccc2 34a_100000174882_100015291786 [0,1,0,0,0,1|2,0,0]=4 4354 B17R2.216 Fc1ccc(cc1)CNCc2ccccc2 34a_100015324214_100000198546 [0,1,0,0,0,1|2,0,0]=4 4355 B17R2.216 Fc1ccc(cc1)COCc2ccccc2 34a_100000210790_100000198546 [0,1,0,0,0,1|1,1,0]=4 4356 B17R2.216 Fc1ccc(cc1)COCc2ccccc2 34a_100000210977_100015291786 [0,1,0,0,0,1|1,1,0]=4 4357 B17R2.216 Fc1ccc(cc1)COCc2ccccc2 7a_100000210790_100000198546 [0,1,0,0,0,1|1,1,0]=4 4358 B17R2.216 Fc1ccc(cc1)COCc2ccccc2 7a_100000210977_100000211182 [0,1,0,0,0,1|1,1,0]=4 4359 B17R2.216 Fc1ccc(cc1)CSCc2ccccc2 62a_100000198546_100015291786 [0,1,0,0,0,1|1,0,0]=3 4360 B17R2.216 Fc1ccc(cc1)CSCc2ccccc2 62a_100000211182_100000187164 [0,1,0,0,0,1|1,0,0]=3 4361 B17R2.216 Fc1ccc(cc1)CSCc2ccccn2 62a_100000198546_100000721315 [0,1,0,0,0,1|2,0,0]=4 4362 B17R2.216 Fc1ccc(cc1)CSCc2ccccn2 62a_100000721315_100000187164 [0,1,0,0,0,1|2,0,0]=4 4363 B17R2.216 Fc1ccc(cc1)CSCc2cccnc2 62a_100000198546_100000741622 [0,1,0,0,0,1|2,0,0]=4 4364 B17R2.216 Fc1ccc(cc1)CSCc2cccnc2 62a_100000741622_100000187164 [0,1,0,0,0,1|2,0,0]=4 4365 B17R2.216 Fc1ccc(cc1)CSCc2ccncc2 62a_100000198546_100015193705 [0,1,0,0,0,1|2,0,0]=4 4366 B17R2.216 Fc1ccc(cc1)CSCc2ccncc2 62a_100015193705_100000187164 [0,1,0,0,0,1|2,0,0]=4 4367 B17R2.216 Fc1ccc(cc1)NCCc2ccccc2 34a_100000185862_100000765856 [0,1,0,0,0,1|2,0,0]=4 4368 B17R2.216 Fc1ccc(cc1)NN=Cc2ccccc2 4a_100000728448_100015611070 [0,1,0,0,0,1|2,0,0]=4 4369 B17R2.216 Fc1ccc(cc1)OCCc2ccccc2 34a_100000210339_100000765856 [0,1,0,0,0,1|1,1,0]=4 4370 B17R2.216 Fc1ccc(cc1)SCCc2ccccc2 62a_100000211213_100011218657 [0,1,0,0,0,1|1,0,0]=3 4371 B17R2.216 Fc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000211213 [0,1,0,0,0,1|1,0,0]=3 4372 B17R2.216 Fc1ccc(cc1)SCCc2ccccn2 62a_100000211213_100015183660 [0,1,0,0,0,1|2,0,0]=4 4373 B17R2.216 Fc1ccc(cc1)SCCc2ccccn2 62a_100015183660_100000211213 [0,1,0,0,0,1|2,0,0]=4 4374 B17R2.216 Fc1ccc(cc1)SCCc2cccnc2 62a_100000211213_200011713674 [0,1,0,0,0,1|2,0,0]=4 4375 B17R2.216 Fc1ccc(cc1)SCCc2cccnc2 62a_200011713674_100000211213 [0,1,0,0,0,1|2,0,0]=4 4376 B17R2.216 Fc1ccc(cc1)SCCc2ccncc2 62a_100000211213_100000723409 [0,1,0,0,0,1|2,0,0]=4 4377 B17R2.216 Fc1ccc(cc1)SCCc2ccncc2 62a_100000723409_100000211213 [0,1,0,0,0,1|2,0,0]=4 4378 B17R2.216 Fc1ccc(cc1)SCSc2ccccc2 62a_100000211213_100011218342 [0,1,0,0,0,1|0,0,0]=2 4379 B17R2.216 Fc1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000211213 [0,1,0,0,0,1|0,0,0]=2 4380 B17R2.216 Fc1ccc(cn1)CSCc2ccccc2 62a_100000211182_100000099788 [0,1,0,0,0,1|2,0,0]=4 4381 B17R2.216 Fc1ccc(cn1)CSCc2ccccc2 62a_100009820150_100015291786 [0,1,0,0,0,1|2,0,0]=4 4382 B17R2.216 Fc1ccc(cn1)SCCc2ccccc2 62a_100000042367_100011218657 [0,1,0,0,0,1|2,0,0]=4 4383 B17R2.216 Fc1ccc(cn1)SCCc2ccccc2 62a_100000765856_100000042367 [0,1,0,0,0,1|2,0,0]=4 4384 B17R2.216 Fc1ccc(cn1)SCSc2ccccc2 62a_100000042367_100011218342 [0,1,0,0,0,1|1,0,0]=3 4385 B17R2.216 Fc1ccc(cn1)SCSc2ccccc2 62a_100011218342_100000042367 [0,1,0,0,0,1|1,0,0]=3 4386 B17R2.216 Fc1ccc(nc1)CSCc2ccccc2 62a_100000211182_100000703193 [0,1,0,0,0,1|2,0,0]=4 4387 B17R2.216 Fc1ccc(nc1)CSCc2ccccc2 62a_100000703193_100015291786 [0,1,0,0,0,1|2,0,0]=4 4388 B17R2.216 Fc1ccc(nc1)SCCc2ccccc2 62a_100000744514_100011218657 [0,1,0,0,0,1|2,0,0]=4 4389 B17R2.216 Fc1ccc(nc1)SCCc2ccccc2 62a_100000765856_100000744514 [0,1,0,0,0,1|2,0,0]=4 4390 B17R2.216 Fc1ccc(nc1)SCSc2ccccc2 62a_100000744514_100011218342 [0,1,0,0,0,1|1,0,0]=3 4391 B17R2.216 Fc1ccc(nc1)SCSc2ccccc2 62a_100011218342_100000744514 [0,1,0,0,0,1|1,0,0]=3 4392 B17R2.216 Fc1cnc(cn1)SCSc2ccccc2 62a_100009856528_100011218342 [0,1,0,0,0,1|2,0,0]=4 4393 B17R2.216 Fc1cnc(cn1)SCSc2ccccc2 62a_100011218342_100009856528 [0,1,0,0,0,1|2,0,0]=4 4394 B17R2.216 Fc1cnc(nc1)SCSc2ccccc2 62a_100000685220_100011218342 [0,1,0,0,0,1|2,0,0]=4 4395 B17R2.216 Fc1cnc(nc1)SCSc2ccccc2 62a_100011218342_100000685220 [0,1,0,0,0,1|2,0,0]=4 4396 B17R2.216 Fc1ncc(cn1)SCSc2ccccc2 62a_100000685262_100011218342 [0,1,0,0,0,1|2,0,0]=4 4397 B17R2.216 Fc1ncc(cn1)SCSc2ccccc2 62a_100011218342_100000685262 [0,1,0,0,0,1|2,0,0]=4 4398 B17R2.216 Ic1ccc(cc1)C=NNc2ccccc2 4a_100015195140_100000188517 [0,1,0,0,0,1|2,0,0]=4 4399 B17R2.216 Ic1ccc(cc1)CNCc2ccccc2 207a_100015324214_100000188517 [0,1,0,0,0,1|2,0,0]=4 4400 B17R2.216 Ic1ccc(cc1)CNCc2ccccc2 207a_100016989417_100015611070 [0,1,0,0,0,1|2,0,0]=4 4401 B17R2.216 Ic1ccc(cc1)CNCc2ccccc2 2230a_100015324214_100000189116 [0,1,0,0,0,1|2,0,0]=4 4402 B17R2.216 Ic1ccc(cc1)CNCc2ccccc2 2230a_100016989417_100015291786 [0,1,0,0,0,1|2,0,0]=4 4403 B17R2.216 Ic1ccc(cc1)CNCc2ccccc2 270004a_100016989417_100015611070 [0,1,0,0,0,1|2,0,0]=4 4404 B17R2.216 Ic1ccc(cc1)CNCc2ccccc2 34a_100015324214_100000189116 [0,1,0,0,0,1|2,0,0]=4 4405 B17R2.216 Ic1ccc(cc1)CNCc2ccccc2 34a_100016989417_100015291786 [0,1,0,0,0,1|2,0,0]=4 4406 B17R2.216 Ic1ccc(cc1)COCc2ccccc2 34a_100000210790_100000189116 [0,1,0,0,0,1|1,1,0]=4 4407 B17R2.216 Ic1ccc(cc1)COCc2ccccc2 34a_100000690907_100015291786 [0,1,0,0,0,1|1,1,0]=4 4408 B17R2.216 Ic1ccc(cc1)COCc2ccccc2 7a_100000210790_100000189116 [0,1,0,0,0,1|1,1,0]=4 4409 B17R2.216 Ic1ccc(cc1)COCc2ccccc2 7a_100000690907_100000211182 [0,1,0,0,0,1|1,1,0]=4 4410 B17R2.216 Ic1ccc(cc1)CSCc2ccccc2 62a_100000189116_100015291786 [0,1,0,0,0,1|1,0,0]=3 4411 B17R2.216 Ic1ccc(cc1)CSCc2ccccc2 62a_100000211182_100000189116 [0,1,0,0,0,1|1,0,0]=3 4412 B17R2.216 Ic1ccc(cc1)CSCc2ccccn2 62a_100000189116_100000721315 [0,1,0,0,0,1|2,0,0]=4 4413 B17R2.216 Ic1ccc(cc1)CSCc2ccccn2 62a_100000721315_100000189116 [0,1,0,0,0,1|2,0,0]=4 4414 B17R2.216 Ic1ccc(cc1)CSCc2cccnc2 62a_100000189116_100000741622 [0,1,0,0,0,1|2,0,0]=4 4415 B17R2.216 Ic1ccc(cc1)CSCc2cccnc2 62a_100000741622_100000189116 [0,1,0,0,0,1|2,0,0]=4 4416 B17R2.216 Ic1ccc(cc1)CSCc2ccncc2 62a_100000189116_100015193705 [0,1,0,0,0,1|2,0,0]=4 4417 B17R2.216 Ic1ccc(cc1)CSCc2ccncc2 62a_100015193705_100000189116 [0,1,0,0,0,1|2,0,0]=4 4418 B17R2.216 Ic1ccc(cc1)NCCc2ccccc2 34a_100000185761_100000765856 [0,1,0,0,0,1|2,0,0]=4 4419 B17R2.216 Ic1ccc(cc1)NN=Cc2ccccc2 4a_100016988836_100015611070 [0,1,0,0,0,1|2,0,0]=4 4420 B17R2.216 Ic1ccc(cc1)OCCc2ccccc2 34a_100000212066_100000765856 [0,1,0,0,0,1|1,1,0]=4 4421 B17R2.216 Ic1ccc(cc1)OCCc2ccccc2 7a_100000212066_100000765856 [0,1,0,0,0,1|1,1,0]=4 4422 B17R2.216 Nc1ccc(cc1)C=CCc2ccccc2 271570a_200016263579_100000185761 [0,1,0,0,0,1|2,0,0]=4 4423 B17R2.216 Nc1ccc(cc1)COCc2ccccc2 34a_100011215238_100015291786 [0,1,0,0,0,1|1,1,0]=4 4424 B17R2.216 Nc1ccc(cc1)OCCc2ccccc2 34a_100000185829_100000765856 [0,1,0,0,0,1|1,1,0]=4 4425 B17R2.216 Nc1ccc(cc1)SCCc2ccccc2 62a_100000185761_100011218657 [0,1,0,0,0,1|1,0,0]=3 4426 B17R2.216 Nc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000185761 [0,1,0,0,0,1|1,0,0]=3 4427 B17R2.216 Nc1ccc(cc1)SCCc2ccccn2 62a_100000185761_100015183660 [0,1,0,0,0,1|2,0,0]=4 4428 B17R2.216 Nc1ccc(cc1)SCCc2ccccn2 62a_100015183660_100000185761 [0,1,0,0,0,1|2,0,0]=4 4429 B17R2.216 Nc1ccc(cc1)SCCc2cccnc2 62a_100000185761_200011713674 [0,1,0,0,0,1|2,0,0]=4 4430 B17R2.216 Nc1ccc(cc1)SCCc2cccnc2 62a_200011713674_100000185761 [0,1,0,0,0,1|2,0,0]=4 4431 B17R2.216 Nc1ccc(cc1)SCCc2ccncc2 62a_100000185761_100000723409 [0,1,0,0,0,1|2,0,0]=4 4432 B17R2.216 Nc1ccc(cc1)SCCc2ccncc2 62a_100000723409_100000185761 [0,1,0,0,0,1|2,0,0]=4 4433 B17R2.216 Nc1ccc(cc1)SCSc2ccccc2 62a_100000185761_100011218342 [0,1,0,0,0,1|0,0,0]=2 4434 B17R2.216 Nc1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000185761 [0,1,0,0,0,1|0,0,0]=2 4435 B17R2.216 Nc1ccc(cn1)SCCc2ccccc2 62a_100000187370_100011218657 [0,1,0,0,0,1|2,0,0]=4 4436 B17R2.216 Nc1ccc(cn1)SCCc2ccccc2 62a_100000765856_100000187370 [0,1,0,0,0,1|2,0,0]=4 4437 B17R2.216 Nc1ccc(cn1)SCSc2ccccc2 62a_100000187370_100011218342 [0,1,0,0,0,1|1,0,0]=3 4438 B17R2.216 Nc1ccc(cn1)SCSc2ccccc2 62a_100011218342_100000187370 [0,1,0,0,0,1|1,0,0]=3 4439 B17R2.216 Nc1ccc(nc1)SCCc2ccccc2 62a_100000737798_100011218657 [0,1,0,0,0,1|2,0,0]=4 4440 B17R2.216 Nc1ccc(nc1)SCCc2ccccc2 62a_100000765856_100000737798 [0,1,0,0,0,1|2,0,0]=4 4441 B17R2.216 Nc1ccc(nc1)SCSc2ccccc2 62a_100000737798_100011218342 [0,1,0,0,0,1|1,0,0]=3 4442 B17R2.216 Nc1ccc(nc1)SCSc2ccccc2 62a_100011218342_100000737798 [0,1,0,0,0,1|1,0,0]=3 4443 B17R2.216 Nc1ccc(nn1)SCSc2ccccc2 62a_100010219413_100011218342 [0,1,0,0,0,1|2,0,0]=4 4444 B17R2.216 Nc1ccc(nn1)SCSc2ccccc2 62a_100011218342_100010219413 [0,1,0,0,0,1|2,0,0]=4 4445 B17R2.216 Nc1cnc(cn1)SCSc2ccccc2 62a_100000744751_100011218342 [0,1,0,0,0,1|2,0,0]=4 4446 B17R2.216 Nc1cnc(cn1)SCSc2ccccc2 62a_100011218342_100000744751 [0,1,0,0,0,1|2,0,0]=4 4447 B17R2.216 Nc1cnc(nc1)SCSc2ccccc2 62a_100000068403_100011218342 [0,1,0,0,0,1|2,0,0]=4 4448 B17R2.216 Nc1cnc(nc1)SCSc2ccccc2 62a_100011218342_100000068403 [0,1,0,0,0,1|2,0,0]=4 4449 B17R2.216 Nc1ncc(cn1)SCSc2ccccc2 62a_100000766020_100011218342 [0,1,0,0,0,1|2,0,0]=4 4450 B17R2.216 Nc1ncc(cn1)SCSc2ccccc2 62a_100011218342_100000766020 [0,1,0,0,0,1|2,0,0]=4 4451 B17R2.216 O=c1ccc(c[nH]1)SCCc2ccccc2 62a_100000212171_100011218657 [0,1,0,0,0,1|2,0,0]=4 4452 B17R2.216 O=c1ccc(c[nH]1)SCCc2ccccc2 62a_100000765856_100000212171 [0,1,0,0,0,1|2,0,0]=4 4453 B17R2.216 O=c1ccc(c[nH]1)SCSc2ccccc2 62a_100000212171_100011218342 [0,1,0,0,0,1|1,0,0]=3 4454 B17R2.216 O=c1ccc(c[nH]1)SCSc2ccccc2 62a_100011218342_100000212171 [0,1,0,0,0,1|1,0,0]=3 4455 B17R2.216 O=c1ccc(n[nH]1)SCSc2ccccc2 62a_100009820020_100011218342 [0,1,0,0,0,1|2,0,0]=4 4456 B17R2.216 O=c1ccc(n[nH]1)SCSc2ccccc2 62a_100011218342_100009820020 [0,1,0,0,0,1|2,0,0]=4 4457 B17R2.216 O=c1ncc(c[nH]1)SCSc2ccccc2 62a_100011218342_102495366499 [0,1,0,0,0,1|2,0,0]=4 4458 B17R2.216 O=c1ncc(c[nH]1)SCSc2ccccc2 62a_102495366499_100011218342 [0,1,0,0,0,1|2,0,0]=4 4459 B17R2.216 Oc1ccc(cc1)C=CCc2ccccc2 271570a_200016263579_100000185759 [0,1,0,0,0,1|2,0,0]=4 4460 B17R2.216 Oc1ccc(cc1)C=NNc2ccccc2 4a_100015195140_100000185832 [0,1,0,0,0,1|2,0,0]=4 4461 B17R2.216 Oc1ccc(cc1)CCOc2ccccc2 7a_100000210340_100009816426 [0,1,0,0,0,1|1,1,0]=4 4462 B17R2.216 Oc1ccc(cc1)CCSc2ccccc2 62a_100000719477_100009816426 [0,1,0,0,0,1|1,0,0]=3 4463 B17R2.216 Oc1ccc(cc1)CCSc2ccccc2 62a_100009816426_100000041952 [0,1,0,0,0,1|1,0,0]=3 4464 B17R2.216 Oc1ccc(cc1)CCSc2ccccn2 62a_100009816426_100011216584 [0,1,0,0,0,1|2,0,0]=4 4465 B17R2.216 Oc1ccc(cc1)CCSc2ccccn2 62a_100011216584_100009816426 [0,1,0,0,0,1|2,0,0]=4 4466 B17R2.216 Oc1ccc(cc1)CCSc2cccnc2 62a_100000210063_100009816426 [0,1,0,0,0,1|2,0,0]=4 4467 B17R2.216 Oc1ccc(cc1)CCSc2cccnc2 62a_100009816426_100000210063 [0,1,0,0,0,1|2,0,0]=4 4468 B17R2.216 Oc1ccc(cc1)CCSc2ccncc2 62a_100000728582_100009816426 [0,1,0,0,0,1|2,0,0]=4 4469 B17R2.216 Oc1ccc(cc1)CCSc2ccncc2 62a_100009816426_100000728582 [0,1,0,0,0,1|2,0,0]=4 4470 B17R2.216 Oc1ccc(cc1)CNCc2ccccc2 271570a_203496583355_100000195849 [0,1,0,0,0,1|2,0,0]=4 4471 B17R2.216 Oc1ccc(cc1)CNCc2ccccc2 34a_100000185549_100015291786 [0,1,0,0,0,1|2,0,0]=4 4472 B17R2.216 Oc1ccc(cc1)NCCc2ccccc2 34a_100000185829_100000765856 [0,1,0,0,0,1|2,0,0]=4 4473 B17R2.216 Oc1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000185759 [0,1,0,0,0,1|1,0,0]=3 4474 B17R2.216 Oc1ccc(cc1)SCCc2ccccn2 62a_100015183660_100000185759 [0,1,0,0,0,1|2,0,0]=4 4475 B17R2.216 Oc1ccc(cc1)SCCc2cccnc2 62a_200011713674_100000185759 [0,1,0,0,0,1|2,0,0]=4 4476 B17R2.216 Oc1ccc(cc1)SCCc2ccncc2 62a_100000723409_100000185759 [0,1,0,0,0,1|2,0,0]=4 4477 B17R2.216 Oc1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000185759 [0,1,0,0,0,1|0,0,0]=2 4478 B17R2.216 Oc1ccc(nc1)SCCc2ccccc2 62a_100000685995_100011218657 [0,1,0,0,0,1|2,0,0]=4 4479 B17R2.216 Oc1ccc(nc1)SCCc2ccccc2 62a_100000765856_100000744096 [0,1,0,0,0,1|2,0,0]=4 4480 B17R2.216 Oc1ccc(nc1)SCSc2ccccc2 62a_100000685995_100011218342 [0,1,0,0,0,1|1,0,0]=3 4481 B17R2.216 Oc1ccc(nc1)SCSc2ccccc2 62a_100011218342_100000744096 [0,1,0,0,0,1|1,0,0]=3 4482 B17R2.216 Oc1cnc(cn1)SCSc2ccccc2 62a_100011218342_100015839800 [0,1,0,0,0,1|2,0,0]=4 4483 B17R2.216 Oc1cnc(cn1)SCSc2ccccc2 62a_100011934580_100011218342 [0,1,0,0,0,1|2,0,0]=4 4484 B17R2.216 Oc1cnc(nc1)SCSc2ccccc2 62a_100000730009_100011218342 [0,1,0,0,0,1|2,0,0]=4 4485 B17R2.216 Oc1cnc(nc1)SCSc2ccccc2 62a_100011218342_100000092845 [0,1,0,0,0,1|2,0,0]=4 4486 B17R2.216 [O-][n+]1ccc(cc1)SCCc2ccccc2 62a_100000765856_100000039755 [0,1,0,0,0,1|2,0,0]=4 4487 B17R2.216 [O-][n+]1ccc(cc1)SCSc2ccccc2 62a_100011218342_100000039755 [0,1,0,0,0,1|1,0,0]=3 4488 B17R2.2342 CC(=NNc1ccccc1)c2ccccc2 4a_100015195140_100000185851 [0,1,0,0,0,1|2,0,0]=4 4489 B17R2.2342 CC(CNc1ccccc1)c2ccccc2 34a_100000106764_100000756946 [0,1,0,0,0,1|2,0,0]=4 4490 B17R2.2342 CC(COc1ccccc1)c2ccccc2 34a_100000210340_100000756946 [0,1,0,0,0,1|1,1,0]=4 4491 B17R2.2342 CC(COc1ccccc1)c2ccccc2 7a_100000210340_100000756946 [0,1,0,0,0,1|1,1,0]=4 4492 B17R2.2342 CC(CSc1ccccc1)c2ccccc2 62a_100000719477_100000756946 [0,1,0,0,0,1|1,0,0]=3 4493 B17R2.2342 CC(CSc1ccccc1)c2ccccc2 62a_100000756946_100000041952 [0,1,0,0,0,1|1,0,0]=3 4494 B17R2.2342 CC(CSc1ccccn1)c2ccccc2 62a_100000756946_100011216584 [0,1,0,0,0,1|2,0,0]=4 4495 B17R2.2342 CC(CSc1ccccn1)c2ccccc2 62a_100011216584_100000756946 [0,1,0,0,0,1|2,0,0]=4 4496 B17R2.2342 CC(CSc1cccnc1)c2ccccc2 62a_100000210063_100000756946 [0,1,0,0,0,1|2,0,0]=4 4497 B17R2.2342 CC(CSc1cccnc1)c2ccccc2 62a_100000756946_100000210063 [0,1,0,0,0,1|2,0,0]=4 4498 B17R2.2342 CC(CSc1ccncc1)c2ccccc2 62a_100000728582_100000756946 [0,1,0,0,0,1|2,0,0]=4 4499 B17R2.2342 CC(CSc1ccncc1)c2ccccc2 62a_100000756946_100000728582 [0,1,0,0,0,1|2,0,0]=4 4500 B17R2.2342 CC(NCc1ccccc1)c2ccccc2 2230a_100015324214_100000230085 [0,1,0,0,0,1|2,0,0]=4 4501 B17R2.2342 CC(NCc1ccccc1)c2ccccc2 269862a_100015324214_100000185851 [0,1,0,0,0,1|2,0,0]=4 4502 B17R2.2342 CC(NCc1ccccc1)c2ccccc2 34a_100015324214_100000211855 [0,1,0,0,0,1|2,0,0]=4 4503 B17R2.2342 CC(OCc1ccccc1)c2ccccc2 34a_100000210790_100000211855 [0,1,0,0,0,1|1,1,0]=4 4504 B17R2.2342 CC(OCc1ccccc1)c2ccccc2 7a_100000210790_100000230085 [0,1,0,0,0,1|1,1,0]=4 4505 B17R2.2342 CC(SCc1ccccc1)c2ccccc2 62a_100000211182_100000230085 [0,1,0,0,0,1|1,0,0]=3 4506 B17R2.2342 CC(SCc1ccccc1)c2ccccc2 62a_100000230085_100015291786 [0,1,0,0,0,1|1,0,0]=3 4507 B17R2.2342 CC(SCc1ccccn1)c2ccccc2 62a_100000230085_100000721315 [0,1,0,0,0,1|2,0,0]=4 4508 B17R2.2342 CC(SCc1ccccn1)c2ccccc2 62a_100000721315_100000230085 [0,1,0,0,0,1|2,0,0]=4 4509 B17R2.2342 CC(SCc1cccnc1)c2ccccc2 62a_100000230085_100000741622 [0,1,0,0,0,1|2,0,0]=4 4510 B17R2.2342 CC(SCc1cccnc1)c2ccccc2 62a_100000741622_100000230085 [0,1,0,0,0,1|2,0,0]=4 4511 B17R2.2342 CC(SCc1ccncc1)c2ccccc2 62a_100000230085_100015193705 [0,1,0,0,0,1|2,0,0]=4 4512 B17R2.2342 CC(SCc1ccncc1)c2ccccc2 62a_100015193705_100000230085 [0,1,0,0,0,1|2,0,0]=4 4513 B17R2.2342 CN(CCc1ccccc1)c2ccccc2 2230a_100000210012_100000765856 [0,1,0,0,0,1|2,0,0]=4 4514 B17R2.2342 CN(CCc1ccccc1)c2ccccc2 269982a_100000210012_100000765856 [0,1,0,0,0,1|2,0,0]=4 4515 B17R2.2342 CN(CCc1ccccc1)c2ccccc2 34a_100000210012_100000765856 [0,1,0,0,0,1|2,0,0]=4 4516 B17R2.2342 CN(CSc1ccccc1)c2ccccc2 2230a_100000210012_100011218342 [0,1,0,0,0,1|1,0,0]=3 4517 B17R2.2342 CN(CSc1ccccc1)c2ccccc2 269982a_100000210012_100011218342 [0,1,0,0,0,1|1,0,0]=3 4518 B17R2.2342 C[C@@H](NCc1ccccc1)c2ccccc2 207a_100000751104_100015611070 [0,1,0,0,0,1|2,0,0]=4 4519 B17R2.2342 C[C@@H](NCc1ccccc1)c2ccccc2 2230a_100000751104_100015291786 [0,1,0,0,0,1|2,0,0]=4 4520 B17R2.2342 C[C@@H](NCc1ccccc1)c2ccccc2 270004a_100000751104_100015611070 [0,1,0,0,0,1|2,0,0]=4 4521 B17R2.2342 C[C@@H](OCc1ccccc1)c2ccccc2 34a_100000761318_100015291786 [0,1,0,0,0,1|1,1,0]=4 4522 B17R2.2342 C[C@@H](OCc1ccccc1)c2ccccc2 7a_100000761318_100000211182 [0,1,0,0,0,1|1,1,0]=4 4523 B17R2.2342 O=C(CCc1ccccc1)c2ccccc2 1458a_100000185807_100000765856 [0,1,0,0,0,1|2,0,0]=4 4524 B17R2.2342 O=C(COc1ccccc1)c2ccccc2 7a_100000210340_100000211460 [0,1,0,0,0,1|1,1,0]=4 4525 B17R2.2342 O=C(CSc1ccccc1)c2ccccc2 62a_100000211460_100000041952 [0,1,0,0,0,1|1,0,0]=3 4526 B17R2.2342 O=C(CSc1ccccc1)c2ccccc2 62a_100000719477_100000211460 [0,1,0,0,0,1|1,0,0]=3 4527 B17R2.2342 O=C(CSc1ccccc1)c2ccccn2 62a_100000027445_100000041952 [0,1,0,0,0,1|2,0,0]=4 4528 B17R2.2342 O=C(CSc1ccccc1)c2ccccn2 62a_100000719477_100000027445 [0,1,0,0,0,1|2,0,0]=4 4529 B17R2.2342 O=C(CSc1ccccc1)c2cccnc2 62a_100000719477_100000757877 [0,1,0,0,0,1|2,0,0]=4 4530 B17R2.2342 O=C(CSc1ccccc1)c2cccnc2 62a_100000757877_100000041952 [0,1,0,0,0,1|2,0,0]=4 4531 B17R2.2342 O=C(CSc1ccccc1)c2ccncc2 62a_100000027454_100000041952 [0,1,0,0,0,1|2,0,0]=4 4532 B17R2.2342 O=C(CSc1ccccc1)c2ccncc2 62a_100000719477_100000027454 [0,1,0,0,0,1|2,0,0]=4 4533 B17R2.2342 O=C(CSc1ccccn1)c2ccccc2 62a_100000211460_100011216584 [0,1,0,0,0,1|2,0,0]=4 4534 B17R2.2342 O=C(CSc1ccccn1)c2ccccc2 62a_100011216584_100000211460 [0,1,0,0,0,1|2,0,0]=4 4535 B17R2.2342 O=C(CSc1cccnc1)c2ccccc2 62a_100000210063_100000211460 [0,1,0,0,0,1|2,0,0]=4 4536 B17R2.2342 O=C(CSc1cccnc1)c2ccccc2 62a_100000211460_100000210063 [0,1,0,0,0,1|2,0,0]=4 4537 B17R2.2342 O=C(CSc1ccncc1)c2ccccc2 62a_100000211460_100000728582 [0,1,0,0,0,1|2,0,0]=4 4538 B17R2.2342 O=C(CSc1ccncc1)c2ccccc2 62a_100000728582_100000211460 [0,1,0,0,0,1|2,0,0]=4 4539 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 11a_100015324214_100000185807 [0,1,0,0,0,1|2,0,0]=4 4540 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 1626a_100015324214_100000185807 [0,1,0,0,0,1|2,0,0]=4 4541 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 240690a_100015324214_100000185807 [0,1,0,0,0,1|2,0,0]=4 4542 B17R2.2342 O=C(NCc1ccccc1)c2ccccc2 527a_100015324214_100000185807 [0,1,0,0,0,1|2,0,0]=4 4543 B17R2.2342 O=C(NNc1ccccc1)c2ccccc2 22a_100015195140_100000185807 [0,1,0,0,0,1|2,0,0]=4 4544 B17R2.2342 O=S(CSc1ccccc1)c2ccccc2 62a_100000719477_100000031784 [0,1,0,0,0,1|0,0,1]=3 4545 B17R2.2342 O=S(CSc1ccccn1)c2ccccc2 62a_100011216584_100000031784 [0,1,0,0,0,1|1,0,1]=4 4546 B17R2.2342 O=S(CSc1cccnc1)c2ccccc2 62a_100000210063_100000031784 [0,1,0,0,0,1|1,0,1]=4 4547 B17R2.2342 O=S(CSc1ccncc1)c2ccccc2 62a_100000728582_100000031784 [0,1,0,0,0,1|1,0,1]=4 4548 B17R2.2342 OC(CNc1ccccc1)c2ccccc2 34a_100000106764_100000185958 [0,1,0,0,0,1|2,0,0]=4 4549 B17R2.2342 OC(COc1ccccc1)c2ccccc2 34a_100000210340_100000185958 [0,1,0,0,0,1|1,1,0]=4 4550 B17R2.2342 OC(COc1ccccc1)c2ccccc2 7a_100000210340_100000185958 [0,1,0,0,0,1|1,1,0]=4 4551 B17R2.2342 OC(CSc1ccccc1)c2ccccc2 62a_100000185958_100000041952 [0,1,0,0,0,1|1,0,0]=3 4552 B17R2.2342 OC(CSc1ccccc1)c2ccccc2 62a_100000719477_100000185958 [0,1,0,0,0,1|1,0,0]=3 4553 B17R2.2342 OC(CSc1ccccn1)c2ccccc2 62a_100000185958_100011216584 [0,1,0,0,0,1|2,0,0]=4 4554 B17R2.2342 OC(CSc1ccccn1)c2ccccc2 62a_100011216584_100000185958 [0,1,0,0,0,1|2,0,0]=4 4555 B17R2.2342 OC(CSc1cccnc1)c2ccccc2 62a_100000185958_100000210063 [0,1,0,0,0,1|2,0,0]=4 4556 B17R2.2342 OC(CSc1cccnc1)c2ccccc2 62a_100000210063_100000185958 [0,1,0,0,0,1|2,0,0]=4 4557 B17R2.2342 OC(CSc1ccncc1)c2ccccc2 62a_100000185958_100000728582 [0,1,0,0,0,1|2,0,0]=4 4558 B17R2.2342 OC(CSc1ccncc1)c2ccccc2 62a_100000728582_100000185958 [0,1,0,0,0,1|2,0,0]=4 4559 B17R2.2342 O[C@H](CNc1ccccc1)c2ccccc2 34a_100000106764_100011933945 [0,1,0,0,0,1|2,0,0]=4 4560 B17R2.2342 O[C@H](COc1ccccc1)c2ccccc2 34a_100000210340_100011933945 [0,1,0,0,0,1|1,1,0]=4 4561 B17R2.2342 O[C@H](COc1ccccc1)c2ccccc2 7a_100000210340_100011933945 [0,1,0,0,0,1|1,1,0]=4 4562 B17R2.2342 O[C@H](CSc1ccccc1)c2ccccc2 62a_100000719477_100011933945 [0,1,0,0,0,1|1,0,0]=3 4563 B17R2.2342 O[C@H](CSc1ccccc1)c2ccccc2 62a_100011933945_100000041952 [0,1,0,0,0,1|1,0,0]=3 4564 B17R2.2342 O[C@H](CSc1ccccn1)c2ccccc2 62a_100011216584_100011933945 [0,1,0,0,0,1|2,0,0]=4 4565 B17R2.2342 O[C@H](CSc1ccccn1)c2ccccc2 62a_100011933945_100011216584 [0,1,0,0,0,1|2,0,0]=4 4566 B17R2.2342 O[C@H](CSc1cccnc1)c2ccccc2 62a_100000210063_100011933945 [0,1,0,0,0,1|2,0,0]=4 4567 B17R2.2342 O[C@H](CSc1cccnc1)c2ccccc2 62a_100011933945_100000210063 [0,1,0,0,0,1|2,0,0]=4 4568 B17R2.2342 O[C@H](CSc1ccncc1)c2ccccc2 62a_100000728582_100011933945 [0,1,0,0,0,1|2,0,0]=4 4569 B17R2.2342 O[C@H](CSc1ccncc1)c2ccccc2 62a_100011933945_100000728582 [0,1,0,0,0,1|2,0,0]=4 4570 B17R2.3956 Brc1ccccc1C=CCc2ccccc2 271570a_200016263579_100000695589 [0,1,0,0,0,1|2,0,0]=4 4571 B17R2.3956 Brc1ccccc1C=NNc2ccccc2 4a_100015195140_100000211189 [0,1,0,0,0,1|2,0,0]=4 4572 B17R2.3956 Brc1ccccc1CCNc2ccccc2 34a_100000106764_100012161201 [0,1,0,0,0,1|2,0,0]=4 4573 B17R2.3956 Brc1ccccc1CCOc2ccccc2 34a_100000210340_100012161201 [0,1,0,0,0,1|1,1,0]=4 4574 B17R2.3956 Brc1ccccc1CCOc2ccccc2 7a_100000210340_100012161201 [0,1,0,0,0,1|1,1,0]=4 4575 B17R2.3956 Brc1ccccc1CCSc2ccccc2 62a_100000719477_100012161201 [0,1,0,0,0,1|1,0,0]=3 4576 B17R2.3956 Brc1ccccc1CCSc2ccccc2 62a_100012161201_100000041952 [0,1,0,0,0,1|1,0,0]=3 4577 B17R2.3956 Brc1ccccc1CCSc2ccccn2 62a_100011216584_100012161201 [0,1,0,0,0,1|2,0,0]=4 4578 B17R2.3956 Brc1ccccc1CCSc2ccccn2 62a_100012161201_100011216584 [0,1,0,0,0,1|2,0,0]=4 4579 B17R2.3956 Brc1ccccc1CCSc2cccnc2 62a_100000210063_100012161201 [0,1,0,0,0,1|2,0,0]=4 4580 B17R2.3956 Brc1ccccc1CCSc2cccnc2 62a_100012161201_100000210063 [0,1,0,0,0,1|2,0,0]=4 4581 B17R2.3956 Brc1ccccc1CCSc2ccncc2 62a_100000728582_100012161201 [0,1,0,0,0,1|2,0,0]=4 4582 B17R2.3956 Brc1ccccc1CCSc2ccncc2 62a_100012161201_100000728582 [0,1,0,0,0,1|2,0,0]=4 4583 B17R2.3956 Brc1ccccc1CNCc2ccccc2 207a_100000689332_100015611070 [0,1,0,0,0,1|2,0,0]=4 4584 B17R2.3956 Brc1ccccc1CNCc2ccccc2 207a_100015324214_100000211189 [0,1,0,0,0,1|2,0,0]=4 4585 B17R2.3956 Brc1ccccc1CNCc2ccccc2 2230a_100000689332_100015291786 [0,1,0,0,0,1|2,0,0]=4 4586 B17R2.3956 Brc1ccccc1CNCc2ccccc2 2230a_100015324214_100000184730 [0,1,0,0,0,1|2,0,0]=4 4587 B17R2.3956 Brc1ccccc1CNCc2ccccc2 270004a_100000689332_100015611070 [0,1,0,0,0,1|2,0,0]=4 4588 B17R2.3956 Brc1ccccc1CNCc2ccccc2 270004a_100015324214_100000211189 [0,1,0,0,0,1|2,0,0]=4 4589 B17R2.3956 Brc1ccccc1CNCc2ccccc2 34a_100000689332_100015291786 [0,1,0,0,0,1|2,0,0]=4 4590 B17R2.3956 Brc1ccccc1CNCc2ccccc2 34a_100015324214_100000184730 [0,1,0,0,0,1|2,0,0]=4 4591 B17R2.3956 Brc1ccccc1COCc2ccccc2 34a_100000210790_100000184730 [0,1,0,0,0,1|1,1,0]=4 4592 B17R2.3956 Brc1ccccc1COCc2ccccc2 34a_100000756307_100015291786 [0,1,0,0,0,1|1,1,0]=4 4593 B17R2.3956 Brc1ccccc1COCc2ccccc2 7a_100000210790_100000184730 [0,1,0,0,0,1|1,1,0]=4 4594 B17R2.3956 Brc1ccccc1COCc2ccccc2 7a_100000756307_100000211182 [0,1,0,0,0,1|1,1,0]=4 4595 B17R2.3956 Brc1ccccc1CSCc2ccccc2 62a_100000184730_100015291786 [0,1,0,0,0,1|1,0,0]=3 4596 B17R2.3956 Brc1ccccc1CSCc2ccccc2 62a_100000211182_100000184730 [0,1,0,0,0,1|1,0,0]=3 4597 B17R2.3956 Brc1ccccc1CSCc2ccccn2 62a_100000184730_100000721315 [0,1,0,0,0,1|2,0,0]=4 4598 B17R2.3956 Brc1ccccc1CSCc2ccccn2 62a_100000721315_100000184730 [0,1,0,0,0,1|2,0,0]=4 4599 B17R2.3956 Brc1ccccc1CSCc2cccnc2 62a_100000184730_100000741622 [0,1,0,0,0,1|2,0,0]=4 4600 B17R2.3956 Brc1ccccc1CSCc2cccnc2 62a_100000741622_100000184730 [0,1,0,0,0,1|2,0,0]=4 4601 B17R2.3956 Brc1ccccc1CSCc2ccncc2 62a_100000184730_100015193705 [0,1,0,0,0,1|2,0,0]=4 4602 B17R2.3956 Brc1ccccc1CSCc2ccncc2 62a_100015193705_100000184730 [0,1,0,0,0,1|2,0,0]=4 4603 B17R2.3956 Brc1ccccc1NCCc2ccccc2 34a_100000210017_100000765856 [0,1,0,0,0,1|2,0,0]=4 4604 B17R2.3956 Brc1ccccc1NN=Cc2ccccc2 4a_100000241748_100015611070 [0,1,0,0,0,1|2,0,0]=4 4605 B17R2.3956 Brc1ccccc1OCCc2ccccc2 34a_100000181306_100000765856 [0,1,0,0,0,1|1,1,0]=4 4606 B17R2.3956 Brc1ccccc1OCCc2ccccc2 7a_100000181306_100000765856 [0,1,0,0,0,1|1,1,0]=4 4607 B17R2.3956 Brc1ccccc1SCCc2ccccc2 62a_100000695589_100011218657 [0,1,0,0,0,1|1,0,0]=3 4608 B17R2.3956 Brc1ccccc1SCCc2ccccc2 62a_100000765856_100000695589 [0,1,0,0,0,1|1,0,0]=3 4609 B17R2.3956 Brc1ccccc1SCCc2ccccn2 62a_100000695589_100015183660 [0,1,0,0,0,1|2,0,0]=4 4610 B17R2.3956 Brc1ccccc1SCCc2ccccn2 62a_100015183660_100000695589 [0,1,0,0,0,1|2,0,0]=4 4611 B17R2.3956 Brc1ccccc1SCCc2cccnc2 62a_100000695589_200011713674 [0,1,0,0,0,1|2,0,0]=4 4612 B17R2.3956 Brc1ccccc1SCCc2cccnc2 62a_200011713674_100000695589 [0,1,0,0,0,1|2,0,0]=4 4613 B17R2.3956 Brc1ccccc1SCCc2ccncc2 62a_100000695589_100000723409 [0,1,0,0,0,1|2,0,0]=4 4614 B17R2.3956 Brc1ccccc1SCCc2ccncc2 62a_100000723409_100000695589 [0,1,0,0,0,1|2,0,0]=4 4615 B17R2.3956 Brc1ccccc1SCSc2ccccc2 62a_100000695589_100011218342 [0,1,0,0,0,1|0,0,0]=2 4616 B17R2.3956 Brc1ccccc1SCSc2ccccc2 62a_100011218342_100000695589 [0,1,0,0,0,1|0,0,0]=2 4617 B17R2.3956 Brc1cccnc1CSCc2ccccc2 62a_100000211182_100025702911 [0,1,0,0,0,1|2,0,0]=4 4618 B17R2.3956 Brc1cccnc1CSCc2ccccc2 62a_100025702911_100015291786 [0,1,0,0,0,1|2,0,0]=4 4619 B17R2.3956 Brc1cccnc1SCCc2ccccc2 62a_100000696092_100011218657 [0,1,0,0,0,1|2,0,0]=4 4620 B17R2.3956 Brc1cccnc1SCCc2ccccc2 62a_100000765856_100000696092 [0,1,0,0,0,1|2,0,0]=4 4621 B17R2.3956 Brc1cccnc1SCSc2ccccc2 62a_100000696092_100011218342 [0,1,0,0,0,1|1,0,0]=3 4622 B17R2.3956 Brc1cccnc1SCSc2ccccc2 62a_100011218342_100000696092 [0,1,0,0,0,1|1,0,0]=3 4623 B17R2.3956 Brc1ccncc1SCCc2ccccc2 62a_100000765856_100010138639 [0,1,0,0,0,1|2,0,0]=4 4624 B17R2.3956 Brc1ccncc1SCCc2ccccc2 62a_100010138639_100011218657 [0,1,0,0,0,1|2,0,0]=4 4625 B17R2.3956 Brc1ccncc1SCSc2ccccc2 62a_100010138639_100011218342 [0,1,0,0,0,1|1,0,0]=3 4626 B17R2.3956 Brc1ccncc1SCSc2ccccc2 62a_100011218342_100010138639 [0,1,0,0,0,1|1,0,0]=3 4627 B17R2.3956 Brc1cnccc1SCCc2ccccc2 62a_100000726257_100011218657 [0,1,0,0,0,1|2,0,0]=4 4628 B17R2.3956 Brc1cnccc1SCCc2ccccc2 62a_100000765856_100000726257 [0,1,0,0,0,1|2,0,0]=4 4629 B17R2.3956 Brc1cnccc1SCSc2ccccc2 62a_100000726257_100011218342 [0,1,0,0,0,1|1,0,0]=3 4630 B17R2.3956 Brc1cnccc1SCSc2ccccc2 62a_100011218342_100000726257 [0,1,0,0,0,1|1,0,0]=3 4631 B17R2.3956 Brc1ncccc1CSCc2ccccc2 62a_100000211182_100010140945 [0,1,0,0,0,1|2,0,0]=4 4632 B17R2.3956 Brc1ncccc1CSCc2ccccc2 62a_100010140945_100015291786 [0,1,0,0,0,1|2,0,0]=4 4633 B17R2.3956 Brc1ncccc1SCCc2ccccc2 62a_100000765856_100010202626 [0,1,0,0,0,1|2,0,0]=4 4634 B17R2.3956 Brc1ncccc1SCCc2ccccc2 62a_100010202626_100011218657 [0,1,0,0,0,1|2,0,0]=4 4635 B17R2.3956 Brc1ncccc1SCSc2ccccc2 62a_100010202626_100011218342 [0,1,0,0,0,1|1,0,0]=3 4636 B17R2.3956 Brc1ncccc1SCSc2ccccc2 62a_100011218342_100010202626 [0,1,0,0,0,1|1,0,0]=3 4637 B17R2.3956 Brc1ncncc1SCSc2ccccc2 62a_100011218342_200012461658 [0,1,0,0,0,1|2,0,0]=4 4638 B17R2.3956 Brc1ncncc1SCSc2ccccc2 62a_200012461658_100011218342 [0,1,0,0,0,1|2,0,0]=4 4639 B17R2.3956 C[n+]1ccccc1SCCc2ccccc2 62a_100000765856_100000212160 [0,1,0,0,0,1|2,0,0]=4 4640 B17R2.3956 C[n+]1ccccc1SCSc2ccccc2 62a_100011218342_100000212160 [0,1,0,0,0,1|1,0,0]=3 4641 B17R2.3956 Cc1ccccc1C=CCc2ccccc2 271570a_200016263579_100000210755 [0,1,0,0,0,1|2,0,0]=4 4642 B17R2.3956 Cc1ccccc1C=NNc2ccccc2 4a_100015195140_100000211143 [0,1,0,0,0,1|2,0,0]=4 4643 B17R2.3956 Cc1ccccc1CCNc2ccccc2 34a_100000106764_100011713688 [0,1,0,0,0,1|2,0,0]=4 4644 B17R2.3956 Cc1ccccc1CCOc2ccccc2 34a_100000210340_100011713688 [0,1,0,0,0,1|1,1,0]=4 4645 B17R2.3956 Cc1ccccc1CCOc2ccccc2 7a_100000210340_100011713688 [0,1,0,0,0,1|1,1,0]=4 4646 B17R2.3956 Cc1ccccc1CCSc2ccccc2 62a_100000719477_100011713688 [0,1,0,0,0,1|1,0,0]=3 4647 B17R2.3956 Cc1ccccc1CCSc2ccccc2 62a_100011713688_100000041952 [0,1,0,0,0,1|1,0,0]=3 4648 B17R2.3956 Cc1ccccc1CCSc2ccccn2 62a_100011216584_100011713688 [0,1,0,0,0,1|2,0,0]=4 4649 B17R2.3956 Cc1ccccc1CCSc2ccccn2 62a_100011713688_100011216584 [0,1,0,0,0,1|2,0,0]=4 4650 B17R2.3956 Cc1ccccc1CCSc2cccnc2 62a_100000210063_100011713688 [0,1,0,0,0,1|2,0,0]=4 4651 B17R2.3956 Cc1ccccc1CCSc2cccnc2 62a_100011713688_100000210063 [0,1,0,0,0,1|2,0,0]=4 4652 B17R2.3956 Cc1ccccc1CCSc2ccncc2 62a_100000728582_100011713688 [0,1,0,0,0,1|2,0,0]=4 4653 B17R2.3956 Cc1ccccc1CCSc2ccncc2 62a_100011713688_100000728582 [0,1,0,0,0,1|2,0,0]=4 4654 B17R2.3956 Cc1ccccc1CNCc2ccccc2 207a_100000174972_100015611070 [0,1,0,0,0,1|2,0,0]=4 4655 B17R2.3956 Cc1ccccc1CNCc2ccccc2 207a_100015324214_100000211143 [0,1,0,0,0,1|2,0,0]=4 4656 B17R2.3956 Cc1ccccc1CNCc2ccccc2 2230a_100015324214_100000211839 [0,1,0,0,0,1|2,0,0]=4 4657 B17R2.3956 Cc1ccccc1CNCc2ccccc2 270004a_100000174972_100015611070 [0,1,0,0,0,1|2,0,0]=4 4658 B17R2.3956 Cc1ccccc1CNCc2ccccc2 270004a_100015324214_100000211143 [0,1,0,0,0,1|2,0,0]=4 4659 B17R2.3956 Cc1ccccc1CNCc2ccccc2 34a_100000174972_100015291786 [0,1,0,0,0,1|2,0,0]=4 4660 B17R2.3956 Cc1ccccc1CNCc2ccccc2 34a_100015324214_100000211839 [0,1,0,0,0,1|2,0,0]=4 4661 B17R2.3956 Cc1ccccc1COCc2ccccc2 34a_100000210790_100000211839 [0,1,0,0,0,1|1,1,0]=4 4662 B17R2.3956 Cc1ccccc1COCc2ccccc2 34a_100000698903_100015291786 [0,1,0,0,0,1|1,1,0]=4 4663 B17R2.3956 Cc1ccccc1COCc2ccccc2 7a_100000210790_100000211839 [0,1,0,0,0,1|1,1,0]=4 4664 B17R2.3956 Cc1ccccc1COCc2ccccc2 7a_100000698903_100000211182 [0,1,0,0,0,1|1,1,0]=4 4665 B17R2.3956 Cc1ccccc1CSCc2ccccc2 62a_100000211182_100000211839 [0,1,0,0,0,1|1,0,0]=3 4666 B17R2.3956 Cc1ccccc1CSCc2ccccc2 62a_100000211839_100015291786 [0,1,0,0,0,1|1,0,0]=3 4667 B17R2.3956 Cc1ccccc1CSCc2ccccn2 62a_100000211839_100000721315 [0,1,0,0,0,1|2,0,0]=4 4668 B17R2.3956 Cc1ccccc1CSCc2ccccn2 62a_100000721315_100000211839 [0,1,0,0,0,1|2,0,0]=4 4669 B17R2.3956 Cc1ccccc1CSCc2cccnc2 62a_100000211839_100000741622 [0,1,0,0,0,1|2,0,0]=4 4670 B17R2.3956 Cc1ccccc1CSCc2cccnc2 62a_100000741622_100000211839 [0,1,0,0,0,1|2,0,0]=4 4671 B17R2.3956 Cc1ccccc1CSCc2ccncc2 62a_100000211839_100015193705 [0,1,0,0,0,1|2,0,0]=4 4672 B17R2.3956 Cc1ccccc1CSCc2ccncc2 62a_100015193705_100000211839 [0,1,0,0,0,1|2,0,0]=4 4673 B17R2.3956 Cc1ccccc1NCCc2ccccc2 34a_100015192222_100000765856 [0,1,0,0,0,1|2,0,0]=4 4674 B17R2.3956 Cc1ccccc1NN=Cc2ccccc2 4a_100000184220_100015611070 [0,1,0,0,0,1|2,0,0]=4 4675 B17R2.3956 Cc1ccccc1OCCc2ccccc2 34a_100000210338_100000765856 [0,1,0,0,0,1|1,1,0]=4 4676 B17R2.3956 Cc1ccccc1OCCc2ccccc2 7a_100000210338_100000765856 [0,1,0,0,0,1|1,1,0]=4 4677 B17R2.3956 Cc1ccccc1SCCc2ccccc2 62a_100000210755_100011218657 [0,1,0,0,0,1|1,0,0]=3 4678 B17R2.3956 Cc1ccccc1SCCc2ccccc2 62a_100000765856_100000210755 [0,1,0,0,0,1|1,0,0]=3 4679 B17R2.3956 Cc1ccccc1SCCc2ccccn2 62a_100000210755_100015183660 [0,1,0,0,0,1|2,0,0]=4 4680 B17R2.3956 Cc1ccccc1SCCc2ccccn2 62a_100015183660_100000210755 [0,1,0,0,0,1|2,0,0]=4 4681 B17R2.3956 Cc1ccccc1SCCc2cccnc2 62a_100000210755_200011713674 [0,1,0,0,0,1|2,0,0]=4 4682 B17R2.3956 Cc1ccccc1SCCc2cccnc2 62a_200011713674_100000210755 [0,1,0,0,0,1|2,0,0]=4 4683 B17R2.3956 Cc1ccccc1SCCc2ccncc2 62a_100000210755_100000723409 [0,1,0,0,0,1|2,0,0]=4 4684 B17R2.3956 Cc1ccccc1SCCc2ccncc2 62a_100000723409_100000210755 [0,1,0,0,0,1|2,0,0]=4 4685 B17R2.3956 Cc1ccccc1SCSc2ccccc2 62a_100000210755_100011218342 [0,1,0,0,0,1|0,0,0]=2 4686 B17R2.3956 Cc1ccccc1SCSc2ccccc2 62a_100011218342_100000210755 [0,1,0,0,0,1|0,0,0]=2 4687 B17R2.3956 Cc1cccnc1CSCc2ccccc2 62a_100000211182_100000696600 [0,1,0,0,0,1|2,0,0]=4 4688 B17R2.3956 Cc1cccnc1CSCc2ccccc2 62a_100000696600_100015291786 [0,1,0,0,0,1|2,0,0]=4 4689 B17R2.3956 Cc1cccnc1SCCc2ccccc2 62a_100000751373_100011218657 [0,1,0,0,0,1|2,0,0]=4 4690 B17R2.3956 Cc1cccnc1SCCc2ccccc2 62a_100000765856_100000751373 [0,1,0,0,0,1|2,0,0]=4 4691 B17R2.3956 Cc1cccnc1SCSc2ccccc2 62a_100000751373_100011218342 [0,1,0,0,0,1|1,0,0]=3 4692 B17R2.3956 Cc1cccnc1SCSc2ccccc2 62a_100011218342_100000751373 [0,1,0,0,0,1|1,0,0]=3 4693 B17R2.3956 Cc1ccncc1CSCc2ccccc2 62a_100000211182_100000690890 [0,1,0,0,0,1|2,0,0]=4 4694 B17R2.3956 Cc1ccncc1CSCc2ccccc2 62a_100000690890_100015291786 [0,1,0,0,0,1|2,0,0]=4 4695 B17R2.3956 Cc1ccncc1SCCc2ccccc2 62a_100000761580_100011218657 [0,1,0,0,0,1|2,0,0]=4 4696 B17R2.3956 Cc1ccncc1SCCc2ccccc2 62a_100000765856_100000761580 [0,1,0,0,0,1|2,0,0]=4 4697 B17R2.3956 Cc1ccncc1SCSc2ccccc2 62a_100000761580_100011218342 [0,1,0,0,0,1|1,0,0]=3 4698 B17R2.3956 Cc1ccncc1SCSc2ccccc2 62a_100011218342_100000761580 [0,1,0,0,0,1|1,0,0]=3 4699 B17R2.3956 Cc1ccnnc1SCSc2ccccc2 62a_100011218342_100000089043 [0,1,0,0,0,1|2,0,0]=4 4700 B17R2.3956 Cc1cnccc1CSCc2ccccc2 62a_100000211182_100020672808 [0,1,0,0,0,1|2,0,0]=4 4701 B17R2.3956 Cc1cnccc1CSCc2ccccc2 62a_100020672808_100015291786 [0,1,0,0,0,1|2,0,0]=4 4702 B17R2.3956 Cc1cnccc1SCCc2ccccc2 62a_100000765111_100011218657 [0,1,0,0,0,1|2,0,0]=4 4703 B17R2.3956 Cc1cnccc1SCCc2ccccc2 62a_100000765856_100000765111 [0,1,0,0,0,1|2,0,0]=4 4704 B17R2.3956 Cc1cnccc1SCSc2ccccc2 62a_100000765111_100011218342 [0,1,0,0,0,1|1,0,0]=3 4705 B17R2.3956 Cc1cnccc1SCSc2ccccc2 62a_100011218342_100000765111 [0,1,0,0,0,1|1,0,0]=3 4706 B17R2.3956 Cc1cncnc1SCSc2ccccc2 62a_100011218342_100011998708 [0,1,0,0,0,1|2,0,0]=4 4707 B17R2.3956 Cc1cncnc1SCSc2ccccc2 62a_100011998708_100011218342 [0,1,0,0,0,1|2,0,0]=4 4708 B17R2.3956 Cc1ncccc1CSCc2ccccc2 62a_100000211182_100000732876 [0,1,0,0,0,1|2,0,0]=4 4709 B17R2.3956 Cc1ncccc1CSCc2ccccc2 62a_100000732876_100015291786 [0,1,0,0,0,1|2,0,0]=4 4710 B17R2.3956 Cc1ncccc1SCCc2ccccc2 62a_100000751574_100011218657 [0,1,0,0,0,1|2,0,0]=4 4711 B17R2.3956 Cc1ncccc1SCCc2ccccc2 62a_100000765856_100000751574 [0,1,0,0,0,1|2,0,0]=4 4712 B17R2.3956 Cc1ncccc1SCSc2ccccc2 62a_100000751574_100011218342 [0,1,0,0,0,1|1,0,0]=3 4713 B17R2.3956 Cc1ncccc1SCSc2ccccc2 62a_100011218342_100000751574 [0,1,0,0,0,1|1,0,0]=3 4714 B17R2.3956 Cc1nccnc1SCSc2ccccc2 62a_100011218342_100011999405 [0,1,0,0,0,1|2,0,0]=4 4715 B17R2.3956 Cc1nccnc1SCSc2ccccc2 62a_100011999405_100011218342 [0,1,0,0,0,1|2,0,0]=4 4716 B17R2.3956 Cc1ncncc1SCSc2ccccc2 62a_100009819671_100011218342 [0,1,0,0,0,1|2,0,0]=4 4717 B17R2.3956 Cc1ncncc1SCSc2ccccc2 62a_100011218342_100009819671 [0,1,0,0,0,1|2,0,0]=4 4718 B17R2.3956 Clc1ccccc1C=CCc2ccccc2 271570a_200016263579_100000764095 [0,1,0,0,0,1|2,0,0]=4 4719 B17R2.3956 Clc1ccccc1C=NNc2ccccc2 4a_100015195140_100000210073 [0,1,0,0,0,1|2,0,0]=4 4720 B17R2.3956 Clc1ccccc1CCNc2ccccc2 34a_100000106764_100011713703 [0,1,0,0,0,1|2,0,0]=4 4721 B17R2.3956 Clc1ccccc1CCOc2ccccc2 34a_100000210340_100011713703 [0,1,0,0,0,1|1,1,0]=4 4722 B17R2.3956 Clc1ccccc1CCOc2ccccc2 7a_100000210340_100011713703 [0,1,0,0,0,1|1,1,0]=4 4723 B17R2.3956 Clc1ccccc1CCSc2ccccc2 62a_100000719477_100011713703 [0,1,0,0,0,1|1,0,0]=3 4724 B17R2.3956 Clc1ccccc1CCSc2ccccc2 62a_100011713703_100000041952 [0,1,0,0,0,1|1,0,0]=3 4725 B17R2.3956 Clc1ccccc1CCSc2ccccn2 62a_100011216584_100011713703 [0,1,0,0,0,1|2,0,0]=4 4726 B17R2.3956 Clc1ccccc1CCSc2ccccn2 62a_100011713703_100011216584 [0,1,0,0,0,1|2,0,0]=4 4727 B17R2.3956 Clc1ccccc1CCSc2cccnc2 62a_100000210063_100011713703 [0,1,0,0,0,1|2,0,0]=4 4728 B17R2.3956 Clc1ccccc1CCSc2cccnc2 62a_100011713703_100000210063 [0,1,0,0,0,1|2,0,0]=4 4729 B17R2.3956 Clc1ccccc1CCSc2ccncc2 62a_100000728582_100011713703 [0,1,0,0,0,1|2,0,0]=4 4730 B17R2.3956 Clc1ccccc1CCSc2ccncc2 62a_100011713703_100000728582 [0,1,0,0,0,1|2,0,0]=4 4731 B17R2.3956 Clc1ccccc1CNCc2ccccc2 207a_100000174879_100015611070 [0,1,0,0,0,1|2,0,0]=4 4732 B17R2.3956 Clc1ccccc1CNCc2ccccc2 207a_100015324214_100000210073 [0,1,0,0,0,1|2,0,0]=4 4733 B17R2.3956 Clc1ccccc1CNCc2ccccc2 2230a_100000174879_100015291786 [0,1,0,0,0,1|2,0,0]=4 4734 B17R2.3956 Clc1ccccc1CNCc2ccccc2 2230a_100015324214_100000187162 [0,1,0,0,0,1|2,0,0]=4 4735 B17R2.3956 Clc1ccccc1CNCc2ccccc2 270004a_100000174879_100015611070 [0,1,0,0,0,1|2,0,0]=4 4736 B17R2.3956 Clc1ccccc1CNCc2ccccc2 270004a_100015324214_100000210073 [0,1,0,0,0,1|2,0,0]=4 4737 B17R2.3956 Clc1ccccc1CNCc2ccccc2 34a_100000174879_100015291786 [0,1,0,0,0,1|2,0,0]=4 4738 B17R2.3956 Clc1ccccc1CNCc2ccccc2 34a_100015324214_100000187162 [0,1,0,0,0,1|2,0,0]=4 4739 B17R2.3956 Clc1ccccc1COCc2ccccc2 34a_100000210790_100000187162 [0,1,0,0,0,1|1,1,0]=4 4740 B17R2.3956 Clc1ccccc1COCc2ccccc2 34a_100000210847_100015291786 [0,1,0,0,0,1|1,1,0]=4 4741 B17R2.3956 Clc1ccccc1COCc2ccccc2 7a_100000210790_100000187162 [0,1,0,0,0,1|1,1,0]=4 4742 B17R2.3956 Clc1ccccc1COCc2ccccc2 7a_100000210847_100000211182 [0,1,0,0,0,1|1,1,0]=4 4743 B17R2.3956 Clc1ccccc1CSCc2ccccc2 62a_100000187162_100015291786 [0,1,0,0,0,1|1,0,0]=3 4744 B17R2.3956 Clc1ccccc1CSCc2ccccc2 62a_100000211182_100000187162 [0,1,0,0,0,1|1,0,0]=3 4745 B17R2.3956 Clc1ccccc1CSCc2ccccn2 62a_100000187162_100000721315 [0,1,0,0,0,1|2,0,0]=4 4746 B17R2.3956 Clc1ccccc1CSCc2ccccn2 62a_100000721315_100000187162 [0,1,0,0,0,1|2,0,0]=4 4747 B17R2.3956 Clc1ccccc1CSCc2cccnc2 62a_100000187162_100000741622 [0,1,0,0,0,1|2,0,0]=4 4748 B17R2.3956 Clc1ccccc1CSCc2cccnc2 62a_100000741622_100000187162 [0,1,0,0,0,1|2,0,0]=4 4749 B17R2.3956 Clc1ccccc1CSCc2ccncc2 62a_100000187162_100015193705 [0,1,0,0,0,1|2,0,0]=4 4750 B17R2.3956 Clc1ccccc1CSCc2ccncc2 62a_100015193705_100000187162 [0,1,0,0,0,1|2,0,0]=4 4751 B17R2.3956 Clc1ccccc1NCCc2ccccc2 34a_100000185783_100000765856 [0,1,0,0,0,1|2,0,0]=4 4752 B17R2.3956 Clc1ccccc1NN=Cc2ccccc2 4a_100000683529_100015611070 [0,1,0,0,0,1|2,0,0]=4 4753 B17R2.3956 Clc1ccccc1OCCc2ccccc2 34a_100000210172_100000765856 [0,1,0,0,0,1|1,1,0]=4 4754 B17R2.3956 Clc1ccccc1OCCc2ccccc2 7a_100000210172_100000765856 [0,1,0,0,0,1|1,1,0]=4 4755 B17R2.3956 Clc1ccccc1SCCc2ccccc2 62a_100000764095_100011218657 [0,1,0,0,0,1|1,0,0]=3 4756 B17R2.3956 Clc1ccccc1SCCc2ccccc2 62a_100000765856_100000764095 [0,1,0,0,0,1|1,0,0]=3 4757 B17R2.3956 Clc1ccccc1SCCc2ccccn2 62a_100000764095_100015183660 [0,1,0,0,0,1|2,0,0]=4 4758 B17R2.3956 Clc1ccccc1SCCc2ccccn2 62a_100015183660_100000764095 [0,1,0,0,0,1|2,0,0]=4 4759 B17R2.3956 Clc1ccccc1SCCc2cccnc2 62a_100000764095_200011713674 [0,1,0,0,0,1|2,0,0]=4 4760 B17R2.3956 Clc1ccccc1SCCc2cccnc2 62a_200011713674_100000764095 [0,1,0,0,0,1|2,0,0]=4 4761 B17R2.3956 Clc1ccccc1SCCc2ccncc2 62a_100000723409_100000764095 [0,1,0,0,0,1|2,0,0]=4 4762 B17R2.3956 Clc1ccccc1SCCc2ccncc2 62a_100000764095_100000723409 [0,1,0,0,0,1|2,0,0]=4 4763 B17R2.3956 Clc1ccccc1SCSc2ccccc2 62a_100000764095_100011218342 [0,1,0,0,0,1|0,0,0]=2 4764 B17R2.3956 Clc1ccccc1SCSc2ccccc2 62a_100011218342_100000764095 [0,1,0,0,0,1|0,0,0]=2 4765 B17R2.3956 Clc1cccnc1CSCc2ccccc2 62a_100000099807_100015291786 [0,1,0,0,0,1|2,0,0]=4 4766 B17R2.3956 Clc1cccnc1CSCc2ccccc2 62a_100000211182_100000099807 [0,1,0,0,0,1|2,0,0]=4 4767 B17R2.3956 Clc1cccnc1SCCc2ccccc2 62a_100000765856_100011356963 [0,1,0,0,0,1|2,0,0]=4 4768 B17R2.3956 Clc1cccnc1SCCc2ccccc2 62a_100011356963_100011218657 [0,1,0,0,0,1|2,0,0]=4 4769 B17R2.3956 Clc1cccnc1SCSc2ccccc2 62a_100011218342_100011356963 [0,1,0,0,0,1|1,0,0]=3 4770 B17R2.3956 Clc1cccnc1SCSc2ccccc2 62a_100011356963_100011218342 [0,1,0,0,0,1|1,0,0]=3 4771 B17R2.3956 Clc1ccncc1SCCc2ccccc2 62a_100000765856_100009995489 [0,1,0,0,0,1|2,0,0]=4 4772 B17R2.3956 Clc1ccncc1SCCc2ccccc2 62a_100009995489_100011218657 [0,1,0,0,0,1|2,0,0]=4 4773 B17R2.3956 Clc1ccncc1SCSc2ccccc2 62a_100009995489_100011218342 [0,1,0,0,0,1|1,0,0]=3 4774 B17R2.3956 Clc1ccncc1SCSc2ccccc2 62a_100011218342_100009995489 [0,1,0,0,0,1|1,0,0]=3 4775 B17R2.3956 Clc1cnccc1CSCc2ccccc2 62a_100000211182_100000763264 [0,1,0,0,0,1|2,0,0]=4 4776 B17R2.3956 Clc1cnccc1CSCc2ccccc2 62a_100000763264_100015291786 [0,1,0,0,0,1|2,0,0]=4 4777 B17R2.3956 Clc1cnccc1SCCc2ccccc2 62a_100000708259_100011218657 [0,1,0,0,0,1|2,0,0]=4 4778 B17R2.3956 Clc1cnccc1SCCc2ccccc2 62a_100000765856_100000708259 [0,1,0,0,0,1|2,0,0]=4 4779 B17R2.3956 Clc1cnccc1SCSc2ccccc2 62a_100000708259_100011218342 [0,1,0,0,0,1|1,0,0]=3 4780 B17R2.3956 Clc1cnccc1SCSc2ccccc2 62a_100011218342_100000708259 [0,1,0,0,0,1|1,0,0]=3 4781 B17R2.3956 Clc1ncccc1CSCc2ccccc2 62a_100000045678_100015291786 [0,1,0,0,0,1|2,0,0]=4 4782 B17R2.3956 Clc1ncccc1CSCc2ccccc2 62a_100000211182_100000045678 [0,1,0,0,0,1|2,0,0]=4 4783 B17R2.3956 Clc1ncccc1SCCc2ccccc2 62a_100000036424_100011218657 [0,1,0,0,0,1|2,0,0]=4 4784 B17R2.3956 Clc1ncccc1SCCc2ccccc2 62a_100000765856_100000036424 [0,1,0,0,0,1|2,0,0]=4 4785 B17R2.3956 Clc1ncccc1SCSc2ccccc2 62a_100000036424_100011218342 [0,1,0,0,0,1|1,0,0]=3 4786 B17R2.3956 Clc1ncccc1SCSc2ccccc2 62a_100011218342_100000036424 [0,1,0,0,0,1|1,0,0]=3 4787 B17R2.3956 Clc1nccnc1SCSc2ccccc2 62a_100010886584_100011218342 [0,1,0,0,0,1|2,0,0]=4 4788 B17R2.3956 Clc1nccnc1SCSc2ccccc2 62a_100011218342_100010886584 [0,1,0,0,0,1|2,0,0]=4 4789 B17R2.3956 Clc1ncncc1SCSc2ccccc2 62a_100000758962_100011218342 [0,1,0,0,0,1|2,0,0]=4 4790 B17R2.3956 Clc1ncncc1SCSc2ccccc2 62a_100011218342_100000758962 [0,1,0,0,0,1|2,0,0]=4 4791 B17R2.3956 Fc1ccccc1C=CCc2ccccc2 271570a_200016263579_100011215700 [0,1,0,0,0,1|2,0,0]=4 4792 B17R2.3956 Fc1ccccc1C=NNc2ccccc2 4a_100015195140_100000210811 [0,1,0,0,0,1|2,0,0]=4 4793 B17R2.3956 Fc1ccccc1CCNc2ccccc2 34a_100000106764_100000720011 [0,1,0,0,0,1|2,0,0]=4 4794 B17R2.3956 Fc1ccccc1CCOc2ccccc2 34a_100000210340_100000720011 [0,1,0,0,0,1|1,1,0]=4 4795 B17R2.3956 Fc1ccccc1CCOc2ccccc2 7a_100000210340_100000720011 [0,1,0,0,0,1|1,1,0]=4 4796 B17R2.3956 Fc1ccccc1CCSc2ccccc2 62a_100000719477_100011713696 [0,1,0,0,0,1|1,0,0]=3 4797 B17R2.3956 Fc1ccccc1CCSc2ccccc2 62a_100011713696_100000041952 [0,1,0,0,0,1|1,0,0]=3 4798 B17R2.3956 Fc1ccccc1CCSc2ccccn2 62a_100011216584_100011713696 [0,1,0,0,0,1|2,0,0]=4 4799 B17R2.3956 Fc1ccccc1CCSc2ccccn2 62a_100011713696_100011216584 [0,1,0,0,0,1|2,0,0]=4 4800 B17R2.3956 Fc1ccccc1CCSc2cccnc2 62a_100000210063_100011713696 [0,1,0,0,0,1|2,0,0]=4 4801 B17R2.3956 Fc1ccccc1CCSc2cccnc2 62a_100011713696_100000210063 [0,1,0,0,0,1|2,0,0]=4 4802 B17R2.3956 Fc1ccccc1CCSc2ccncc2 62a_100000728582_100011713696 [0,1,0,0,0,1|2,0,0]=4 4803 B17R2.3956 Fc1ccccc1CCSc2ccncc2 62a_100011713696_100000728582 [0,1,0,0,0,1|2,0,0]=4 4804 B17R2.3956 Fc1ccccc1CNCc2ccccc2 207a_100000174869_100015611070 [0,1,0,0,0,1|2,0,0]=4 4805 B17R2.3956 Fc1ccccc1CNCc2ccccc2 207a_100015324214_100000210811 [0,1,0,0,0,1|2,0,0]=4 4806 B17R2.3956 Fc1ccccc1CNCc2ccccc2 2230a_100015324214_100000211605 [0,1,0,0,0,1|2,0,0]=4 4807 B17R2.3956 Fc1ccccc1CNCc2ccccc2 270004a_100000174869_100015611070 [0,1,0,0,0,1|2,0,0]=4 4808 B17R2.3956 Fc1ccccc1CNCc2ccccc2 270004a_100015324214_100000210811 [0,1,0,0,0,1|2,0,0]=4 4809 B17R2.3956 Fc1ccccc1CNCc2ccccc2 34a_100000174869_100015291786 [0,1,0,0,0,1|2,0,0]=4 4810 B17R2.3956 Fc1ccccc1CNCc2ccccc2 34a_100015324214_100000211605 [0,1,0,0,0,1|2,0,0]=4 4811 B17R2.3956 Fc1ccccc1COCc2ccccc2 34a_100000210790_100000211605 [0,1,0,0,0,1|1,1,0]=4 4812 B17R2.3956 Fc1ccccc1COCc2ccccc2 34a_100000211962_100015291786 [0,1,0,0,0,1|1,1,0]=4 4813 B17R2.3956 Fc1ccccc1COCc2ccccc2 7a_100000210790_100000211605 [0,1,0,0,0,1|1,1,0]=4 4814 B17R2.3956 Fc1ccccc1COCc2ccccc2 7a_100000211962_100000211182 [0,1,0,0,0,1|1,1,0]=4 4815 B17R2.3956 Fc1ccccc1CSCc2ccccc2 62a_100000211182_100000211605 [0,1,0,0,0,1|1,0,0]=3 4816 B17R2.3956 Fc1ccccc1CSCc2ccccc2 62a_100000211605_100015291786 [0,1,0,0,0,1|1,0,0]=3 4817 B17R2.3956 Fc1ccccc1CSCc2ccccn2 62a_100000211605_100000721315 [0,1,0,0,0,1|2,0,0]=4 4818 B17R2.3956 Fc1ccccc1CSCc2ccccn2 62a_100000721315_100000211605 [0,1,0,0,0,1|2,0,0]=4 4819 B17R2.3956 Fc1ccccc1CSCc2cccnc2 62a_100000211605_100000741622 [0,1,0,0,0,1|2,0,0]=4 4820 B17R2.3956 Fc1ccccc1CSCc2cccnc2 62a_100000741622_100000211605 [0,1,0,0,0,1|2,0,0]=4 4821 B17R2.3956 Fc1ccccc1CSCc2ccncc2 62a_100000211605_100015193705 [0,1,0,0,0,1|2,0,0]=4 4822 B17R2.3956 Fc1ccccc1CSCc2ccncc2 62a_100015193705_100000211605 [0,1,0,0,0,1|2,0,0]=4 4823 B17R2.3956 Fc1ccccc1NCCc2ccccc2 34a_100000210422_100000765856 [0,1,0,0,0,1|2,0,0]=4 4824 B17R2.3956 Fc1ccccc1NN=Cc2ccccc2 4a_100000239246_100015611070 [0,1,0,0,0,1|2,0,0]=4 4825 B17R2.3956 Fc1ccccc1OCCc2ccccc2 34a_100000210171_100000765856 [0,1,0,0,0,1|1,1,0]=4 4826 B17R2.3956 Fc1ccccc1OCCc2ccccc2 7a_100000210171_100000765856 [0,1,0,0,0,1|1,1,0]=4 4827 B17R2.3956 Fc1ccccc1SCCc2ccccc2 62a_100000765856_100011215700 [0,1,0,0,0,1|1,0,0]=3 4828 B17R2.3956 Fc1ccccc1SCCc2ccccc2 62a_100011215700_100011218657 [0,1,0,0,0,1|1,0,0]=3 4829 B17R2.3956 Fc1ccccc1SCCc2ccccn2 62a_100011215700_100015183660 [0,1,0,0,0,1|2,0,0]=4 4830 B17R2.3956 Fc1ccccc1SCCc2ccccn2 62a_100015183660_100011215700 [0,1,0,0,0,1|2,0,0]=4 4831 B17R2.3956 Fc1ccccc1SCCc2cccnc2 62a_100011215700_200011713674 [0,1,0,0,0,1|2,0,0]=4 4832 B17R2.3956 Fc1ccccc1SCCc2cccnc2 62a_200011713674_100011215700 [0,1,0,0,0,1|2,0,0]=4 4833 B17R2.3956 Fc1ccccc1SCCc2ccncc2 62a_100000723409_100011215700 [0,1,0,0,0,1|2,0,0]=4 4834 B17R2.3956 Fc1ccccc1SCCc2ccncc2 62a_100011215700_100000723409 [0,1,0,0,0,1|2,0,0]=4 4835 B17R2.3956 Fc1ccccc1SCSc2ccccc2 62a_100011215700_100011218342 [0,1,0,0,0,1|0,0,0]=2 4836 B17R2.3956 Fc1ccccc1SCSc2ccccc2 62a_100011218342_100011215700 [0,1,0,0,0,1|0,0,0]=2 4837 B17R2.3956 Fc1cccnc1CSCc2ccccc2 62a_100000104219_100015291786 [0,1,0,0,0,1|2,0,0]=4 4838 B17R2.3956 Fc1cccnc1CSCc2ccccc2 62a_100000211182_100000104219 [0,1,0,0,0,1|2,0,0]=4 4839 B17R2.3956 Fc1cccnc1SCCc2ccccc2 62a_100000685392_100011218657 [0,1,0,0,0,1|2,0,0]=4 4840 B17R2.3956 Fc1cccnc1SCCc2ccccc2 62a_100000765856_100000685392 [0,1,0,0,0,1|2,0,0]=4 4841 B17R2.3956 Fc1cccnc1SCSc2ccccc2 62a_100000685392_100011218342 [0,1,0,0,0,1|1,0,0]=3 4842 B17R2.3956 Fc1cccnc1SCSc2ccccc2 62a_100011218342_100000685392 [0,1,0,0,0,1|1,0,0]=3 4843 B17R2.3956 Fc1ccncc1SCCc2ccccc2 62a_100000765856_100009820683 [0,1,0,0,0,1|2,0,0]=4 4844 B17R2.3956 Fc1ccncc1SCCc2ccccc2 62a_100009820683_100011218657 [0,1,0,0,0,1|2,0,0]=4 4845 B17R2.3956 Fc1ccncc1SCSc2ccccc2 62a_100009820683_100011218342 [0,1,0,0,0,1|1,0,0]=3 4846 B17R2.3956 Fc1ccncc1SCSc2ccccc2 62a_100011218342_100009820683 [0,1,0,0,0,1|1,0,0]=3 4847 B17R2.3956 Fc1cnccc1SCCc2ccccc2 62a_100000047030_100011218657 [0,1,0,0,0,1|2,0,0]=4 4848 B17R2.3956 Fc1cnccc1SCCc2ccccc2 62a_100000765856_100000047030 [0,1,0,0,0,1|2,0,0]=4 4849 B17R2.3956 Fc1cnccc1SCSc2ccccc2 62a_100000047030_100011218342 [0,1,0,0,0,1|1,0,0]=3 4850 B17R2.3956 Fc1cnccc1SCSc2ccccc2 62a_100011218342_100000047030 [0,1,0,0,0,1|1,0,0]=3 4851 B17R2.3956 Fc1cncnc1SCSc2ccccc2 62a_100000069762_100011218342 [0,1,0,0,0,1|2,0,0]=4 4852 B17R2.3956 Fc1cncnc1SCSc2ccccc2 62a_100011218342_100000069762 [0,1,0,0,0,1|2,0,0]=4 4853 B17R2.3956 Fc1ncccc1CSCc2ccccc2 62a_100000099810_100015291786 [0,1,0,0,0,1|2,0,0]=4 4854 B17R2.3956 Fc1ncccc1CSCc2ccccc2 62a_100000211182_100000099810 [0,1,0,0,0,1|2,0,0]=4 4855 B17R2.3956 Fc1ncccc1SCCc2ccccc2 62a_100000765856_100009816115 [0,1,0,0,0,1|2,0,0]=4 4856 B17R2.3956 Fc1ncccc1SCCc2ccccc2 62a_100009816115_100011218657 [0,1,0,0,0,1|2,0,0]=4 4857 B17R2.3956 Fc1ncccc1SCSc2ccccc2 62a_100009816115_100011218342 [0,1,0,0,0,1|1,0,0]=3 4858 B17R2.3956 Fc1ncccc1SCSc2ccccc2 62a_100011218342_100009816115 [0,1,0,0,0,1|1,0,0]=3 4859 B17R2.3956 Fc1nccnc1SCSc2ccccc2 62a_100011218342_200010125657 [0,1,0,0,0,1|2,0,0]=4 4860 B17R2.3956 Fc1nccnc1SCSc2ccccc2 62a_200010125657_100011218342 [0,1,0,0,0,1|2,0,0]=4 4861 B17R2.3956 Ic1ccccc1C=NNc2ccccc2 4a_100015195140_100000010305 [0,1,0,0,0,1|2,0,0]=4 4862 B17R2.3956 Ic1ccccc1CNCc2ccccc2 207a_100015324214_100000010305 [0,1,0,0,0,1|2,0,0]=4 4863 B17R2.3956 Ic1ccccc1CNCc2ccccc2 207a_100015347259_100015611070 [0,1,0,0,0,1|2,0,0]=4 4864 B17R2.3956 Ic1ccccc1CNCc2ccccc2 2230a_100015324214_100011215278 [0,1,0,0,0,1|2,0,0]=4 4865 B17R2.3956 Ic1ccccc1CNCc2ccccc2 270004a_100015324214_100000010305 [0,1,0,0,0,1|2,0,0]=4 4866 B17R2.3956 Ic1ccccc1CNCc2ccccc2 270004a_100015347259_100015611070 [0,1,0,0,0,1|2,0,0]=4 4867 B17R2.3956 Ic1ccccc1CNCc2ccccc2 34a_100015324214_100011215278 [0,1,0,0,0,1|2,0,0]=4 4868 B17R2.3956 Ic1ccccc1COCc2ccccc2 34a_100000187465_100015291786 [0,1,0,0,0,1|1,1,0]=4 4869 B17R2.3956 Ic1ccccc1COCc2ccccc2 34a_100000210790_100011215278 [0,1,0,0,0,1|1,1,0]=4 4870 B17R2.3956 Ic1ccccc1COCc2ccccc2 7a_100000187465_100000211182 [0,1,0,0,0,1|1,1,0]=4 4871 B17R2.3956 Ic1ccccc1COCc2ccccc2 7a_100000210790_100011215278 [0,1,0,0,0,1|1,1,0]=4 4872 B17R2.3956 Ic1ccccc1CSCc2ccccc2 62a_100000211182_100011216222 [0,1,0,0,0,1|1,0,0]=3 4873 B17R2.3956 Ic1ccccc1CSCc2ccccc2 62a_100011216222_100015291786 [0,1,0,0,0,1|1,0,0]=3 4874 B17R2.3956 Ic1ccccc1CSCc2ccccn2 62a_100000721315_100011216222 [0,1,0,0,0,1|2,0,0]=4 4875 B17R2.3956 Ic1ccccc1CSCc2ccccn2 62a_100011216222_100000721315 [0,1,0,0,0,1|2,0,0]=4 4876 B17R2.3956 Ic1ccccc1CSCc2cccnc2 62a_100000741622_100011216222 [0,1,0,0,0,1|2,0,0]=4 4877 B17R2.3956 Ic1ccccc1CSCc2cccnc2 62a_100011216222_100000741622 [0,1,0,0,0,1|2,0,0]=4 4878 B17R2.3956 Ic1ccccc1CSCc2ccncc2 62a_100011216222_100015193705 [0,1,0,0,0,1|2,0,0]=4 4879 B17R2.3956 Ic1ccccc1CSCc2ccncc2 62a_100015193705_100011216222 [0,1,0,0,0,1|2,0,0]=4 4880 B17R2.3956 Ic1ccccc1NCCc2ccccc2 34a_100000210053_100000765856 [0,1,0,0,0,1|2,0,0]=4 4881 B17R2.3956 Ic1ccccc1NN=Cc2ccccc2 4a_100011218156_100015611070 [0,1,0,0,0,1|2,0,0]=4 4882 B17R2.3956 Ic1ccccc1OCCc2ccccc2 34a_100000739446_100000765856 [0,1,0,0,0,1|1,1,0]=4 4883 B17R2.3956 Ic1ccccc1OCCc2ccccc2 7a_100000739446_100000765856 [0,1,0,0,0,1|1,1,0]=4 4884 B17R2.3956 Nc1ccccc1C=CCc2ccccc2 271570a_200016263579_100000210017 [0,1,0,0,0,1|2,0,0]=4 4885 B17R2.3956 Nc1ccccc1COCc2ccccc2 34a_100000212039_100015291786 [0,1,0,0,0,1|1,1,0]=4 4886 B17R2.3956 Nc1ccccc1OCCc2ccccc2 34a_100000185747_100000765856 [0,1,0,0,0,1|1,1,0]=4 4887 B17R2.3956 Nc1ccccc1OCCc2ccccc2 7a_100000185747_100000765856 [0,1,0,0,0,1|1,1,0]=4 4888 B17R2.3956 Nc1ccccc1SCCc2ccccc2 62a_100000210017_100011218657 [0,1,0,0,0,1|1,0,0]=3 4889 B17R2.3956 Nc1ccccc1SCCc2ccccc2 62a_100000765856_100000210017 [0,1,0,0,0,1|1,0,0]=3 4890 B17R2.3956 Nc1ccccc1SCCc2ccccn2 62a_100000210017_100015183660 [0,1,0,0,0,1|2,0,0]=4 4891 B17R2.3956 Nc1ccccc1SCCc2ccccn2 62a_100015183660_100000210017 [0,1,0,0,0,1|2,0,0]=4 4892 B17R2.3956 Nc1ccccc1SCCc2cccnc2 62a_100000210017_200011713674 [0,1,0,0,0,1|2,0,0]=4 4893 B17R2.3956 Nc1ccccc1SCCc2cccnc2 62a_200011713674_100000210017 [0,1,0,0,0,1|2,0,0]=4 4894 B17R2.3956 Nc1ccccc1SCCc2ccncc2 62a_100000210017_100000723409 [0,1,0,0,0,1|2,0,0]=4 4895 B17R2.3956 Nc1ccccc1SCCc2ccncc2 62a_100000723409_100000210017 [0,1,0,0,0,1|2,0,0]=4 4896 B17R2.3956 Nc1ccccc1SCSc2ccccc2 62a_100000210017_100011218342 [0,1,0,0,0,1|0,0,0]=2 4897 B17R2.3956 Nc1ccccc1SCSc2ccccc2 62a_100011218342_100000210017 [0,1,0,0,0,1|0,0,0]=2 4898 B17R2.3956 Nc1cccnc1SCCc2ccccc2 62a_100000688686_100011218657 [0,1,0,0,0,1|2,0,0]=4 4899 B17R2.3956 Nc1cccnc1SCCc2ccccc2 62a_100000765856_100000688686 [0,1,0,0,0,1|2,0,0]=4 4900 B17R2.3956 Nc1cccnc1SCSc2ccccc2 62a_100000688686_100011218342 [0,1,0,0,0,1|1,0,0]=3 4901 B17R2.3956 Nc1cccnc1SCSc2ccccc2 62a_100011218342_100000688686 [0,1,0,0,0,1|1,0,0]=3 4902 B17R2.3956 Nc1ccncc1SCCc2ccccc2 62a_100000047001_100011218657 [0,1,0,0,0,1|2,0,0]=4 4903 B17R2.3956 Nc1ccncc1SCCc2ccccc2 62a_100000765856_100000047001 [0,1,0,0,0,1|2,0,0]=4 4904 B17R2.3956 Nc1ccncc1SCSc2ccccc2 62a_100000047001_100011218342 [0,1,0,0,0,1|1,0,0]=3 4905 B17R2.3956 Nc1ccncc1SCSc2ccccc2 62a_100011218342_100000047001 [0,1,0,0,0,1|1,0,0]=3 4906 B17R2.3956 Nc1cnccc1SCCc2ccccc2 62a_100000756074_100011218657 [0,1,0,0,0,1|2,0,0]=4 4907 B17R2.3956 Nc1cnccc1SCCc2ccccc2 62a_100000765856_100000756074 [0,1,0,0,0,1|2,0,0]=4 4908 B17R2.3956 Nc1cnccc1SCSc2ccccc2 62a_100000756074_100011218342 [0,1,0,0,0,1|1,0,0]=3 4909 B17R2.3956 Nc1cnccc1SCSc2ccccc2 62a_100011218342_100000756074 [0,1,0,0,0,1|1,0,0]=3 4910 B17R2.3956 Nc1cncnc1SCSc2ccccc2 62a_100000709731_100011218342 [0,1,0,0,0,1|2,0,0]=4 4911 B17R2.3956 Nc1cncnc1SCSc2ccccc2 62a_100011218342_100000709731 [0,1,0,0,0,1|2,0,0]=4 4912 B17R2.3956 Nc1cnncc1SCSc2ccccc2 62a_100009829405_100011218342 [0,1,0,0,0,1|2,0,0]=4 4913 B17R2.3956 Nc1cnncc1SCSc2ccccc2 62a_100011218342_100009829405 [0,1,0,0,0,1|2,0,0]=4 4914 B17R2.3956 Nc1ncccc1SCCc2ccccc2 62a_100000045569_100011218657 [0,1,0,0,0,1|2,0,0]=4 4915 B17R2.3956 Nc1ncccc1SCCc2ccccc2 62a_100000765856_100000045569 [0,1,0,0,0,1|2,0,0]=4 4916 B17R2.3956 Nc1ncccc1SCSc2ccccc2 62a_100000045569_100011218342 [0,1,0,0,0,1|1,0,0]=3 4917 B17R2.3956 Nc1ncccc1SCSc2ccccc2 62a_100011218342_100000045569 [0,1,0,0,0,1|1,0,0]=3 4918 B17R2.3956 Nc1nccnc1SCSc2ccccc2 62a_100000747729_100011218342 [0,1,0,0,0,1|2,0,0]=4 4919 B17R2.3956 Nc1nccnc1SCSc2ccccc2 62a_100011218342_100000747729 [0,1,0,0,0,1|2,0,0]=4 4920 B17R2.3956 Nc1ncncc1SCSc2ccccc2 62a_100011218342_100011996079 [0,1,0,0,0,1|2,0,0]=4 4921 B17R2.3956 Nc1ncncc1SCSc2ccccc2 62a_100011996079_100011218342 [0,1,0,0,0,1|2,0,0]=4 4922 B17R2.3956 O=c1[nH]ccnc1SCSc2ccccc2 62a_100011218342_100000763361 [0,1,0,0,0,1|2,0,0]=4 4923 B17R2.3956 O=c1[nH]nccc1SCSc2ccccc2 62a_100011218342_100000087129 [0,1,0,0,0,1|2,0,0]=4 4924 B17R2.3956 O=c1cc[nH]cc1SCCc2ccccc2 62a_100000765856_100009998708 [0,1,0,0,0,1|2,0,0]=4 4925 B17R2.3956 O=c1cc[nH]cc1SCCc2ccccc2 62a_100009998708_100011218657 [0,1,0,0,0,1|2,0,0]=4 4926 B17R2.3956 O=c1cc[nH]cc1SCSc2ccccc2 62a_100009998708_100011218342 [0,1,0,0,0,1|1,0,0]=3 4927 B17R2.3956 O=c1cc[nH]cc1SCSc2ccccc2 62a_100011218342_100009998708 [0,1,0,0,0,1|1,0,0]=3 4928 B17R2.3956 Oc1ccccc1C=CCc2ccccc2 271570a_200016263579_100000739446 [0,1,0,0,0,1|2,0,0]=4 4929 B17R2.3956 Oc1ccccc1C=NNc2ccccc2 4a_100015195140_100000185834 [0,1,0,0,0,1|2,0,0]=4 4930 B17R2.3956 Oc1ccccc1CCNc2ccccc2 34a_100000106764_100000722297 [0,1,0,0,0,1|2,0,0]=4 4931 B17R2.3956 Oc1ccccc1CCOc2ccccc2 34a_100000210340_100000722297 [0,1,0,0,0,1|1,1,0]=4 4932 B17R2.3956 Oc1ccccc1CCOc2ccccc2 7a_100000210340_100000722297 [0,1,0,0,0,1|1,1,0]=4 4933 B17R2.3956 Oc1ccccc1CCSc2ccccc2 62a_100000719477_100000722297 [0,1,0,0,0,1|1,0,0]=3 4934 B17R2.3956 Oc1ccccc1CCSc2ccccc2 62a_100000722297_100000041952 [0,1,0,0,0,1|1,0,0]=3 4935 B17R2.3956 Oc1ccccc1CCSc2ccccn2 62a_100000722297_100011216584 [0,1,0,0,0,1|2,0,0]=4 4936 B17R2.3956 Oc1ccccc1CCSc2ccccn2 62a_100011216584_100000722297 [0,1,0,0,0,1|2,0,0]=4 4937 B17R2.3956 Oc1ccccc1CCSc2cccnc2 62a_100000210063_100000722297 [0,1,0,0,0,1|2,0,0]=4 4938 B17R2.3956 Oc1ccccc1CCSc2cccnc2 62a_100000722297_100000210063 [0,1,0,0,0,1|2,0,0]=4 4939 B17R2.3956 Oc1ccccc1CCSc2ccncc2 62a_100000722297_100000728582 [0,1,0,0,0,1|2,0,0]=4 4940 B17R2.3956 Oc1ccccc1CCSc2ccncc2 62a_100000728582_100000722297 [0,1,0,0,0,1|2,0,0]=4 4941 B17R2.3956 Oc1ccccc1CNCc2ccccc2 207a_100000185550_100015611070 [0,1,0,0,0,1|2,0,0]=4 4942 B17R2.3956 Oc1ccccc1CNCc2ccccc2 270004a_100000185550_100015611070 [0,1,0,0,0,1|2,0,0]=4 4943 B17R2.3956 Oc1ccccc1CNCc2ccccc2 271570a_203496583355_200000195884 [0,1,0,0,0,1|2,0,0]=4 4944 B17R2.3956 Oc1ccccc1CNCc2ccccc2 34a_100000185550_100015291786 [0,1,0,0,0,1|2,0,0]=4 4945 B17R2.3956 Oc1ccccc1NCCc2ccccc2 34a_100000185747_100000765856 [0,1,0,0,0,1|2,0,0]=4 4946 B17R2.3956 Oc1ccccc1SCCc2ccccc2 62a_100000739446_100011218657 [0,1,0,0,0,1|1,0,0]=3 4947 B17R2.3956 Oc1ccccc1SCCc2ccccc2 62a_100000765856_100000739446 [0,1,0,0,0,1|1,0,0]=3 4948 B17R2.3956 Oc1ccccc1SCCc2ccccn2 62a_100000739446_100015183660 [0,1,0,0,0,1|2,0,0]=4 4949 B17R2.3956 Oc1ccccc1SCCc2ccccn2 62a_100015183660_100000739446 [0,1,0,0,0,1|2,0,0]=4 4950 B17R2.3956 Oc1ccccc1SCCc2cccnc2 62a_100000739446_200011713674 [0,1,0,0,0,1|2,0,0]=4 4951 B17R2.3956 Oc1ccccc1SCCc2cccnc2 62a_200011713674_100000739446 [0,1,0,0,0,1|2,0,0]=4 4952 B17R2.3956 Oc1ccccc1SCCc2ccncc2 62a_100000723409_100000739446 [0,1,0,0,0,1|2,0,0]=4 4953 B17R2.3956 Oc1ccccc1SCCc2ccncc2 62a_100000739446_100000723409 [0,1,0,0,0,1|2,0,0]=4 4954 B17R2.3956 Oc1ccccc1SCSc2ccccc2 62a_100000739446_100011218342 [0,1,0,0,0,1|0,0,0]=2 4955 B17R2.3956 Oc1ccccc1SCSc2ccccc2 62a_100011218342_100000739446 [0,1,0,0,0,1|0,0,0]=2 4956 B17R2.3956 Oc1cccnc1CSCc2ccccc2 62a_100000211182_200020655725 [0,1,0,0,0,1|2,0,0]=4 4957 B17R2.3956 Oc1cccnc1CSCc2ccccc2 62a_200020655725_100015291786 [0,1,0,0,0,1|2,0,0]=4 4958 B17R2.3956 Oc1cccnc1SCCc2ccccc2 62a_100000034122_100011218657 [0,1,0,0,0,1|2,0,0]=4 4959 B17R2.3956 Oc1cccnc1SCCc2ccccc2 62a_100000765856_100000034122 [0,1,0,0,0,1|2,0,0]=4 4960 B17R2.3956 Oc1cccnc1SCSc2ccccc2 62a_100000034122_100011218342 [0,1,0,0,0,1|1,0,0]=3 4961 B17R2.3956 Oc1cccnc1SCSc2ccccc2 62a_100011218342_100000034122 [0,1,0,0,0,1|1,0,0]=3 4962 B17R2.3956 Oc1cnccc1SCCc2ccccc2 62a_100000765856_100009817591 [0,1,0,0,0,1|2,0,0]=4 4963 B17R2.3956 Oc1cnccc1SCCc2ccccc2 62a_100009817591_100011218657 [0,1,0,0,0,1|2,0,0]=4 4964 B17R2.3956 Oc1cnccc1SCSc2ccccc2 62a_100009817591_100011218342 [0,1,0,0,0,1|1,0,0]=3 4965 B17R2.3956 Oc1cnccc1SCSc2ccccc2 62a_100011218342_100009817591 [0,1,0,0,0,1|1,0,0]=3 4966 B17R2.3956 Oc1ncccc1SCCc2ccccc2 62a_100000760158_100011218657 [0,1,0,0,0,1|2,0,0]=4 4967 B17R2.3956 Oc1ncccc1SCCc2ccccc2 62a_100000765856_100000760158 [0,1,0,0,0,1|2,0,0]=4 4968 B17R2.3956 Oc1ncccc1SCSc2ccccc2 62a_100000760158_100011218342 [0,1,0,0,0,1|1,0,0]=3 4969 B17R2.3956 Oc1ncccc1SCSc2ccccc2 62a_100011218342_100000760158 [0,1,0,0,0,1|1,0,0]=3 4970 B17R2.3956 Oc1ncncc1SCSc2ccccc2 62a_100000751107_100011218342 [0,1,0,0,0,1|2,0,0]=4 4971 B17R2.3956 Oc1ncncc1SCSc2ccccc2 62a_100011218342_100000751107 [0,1,0,0,0,1|2,0,0]=4 4972 B17R2.3956 S=c1cc[nH]cc1SCCc2ccccc2 62a_100000765856_200012280681 [0,1,0,0,0,1|2,0,0]=4 4973 B17R2.3956 S=c1cc[nH]cc1SCCc2ccccc2 62a_200012280681_100011218657 [0,1,0,0,0,1|2,0,0]=4 4974 B17R2.3956 S=c1cc[nH]cc1SCSc2ccccc2 62a_100011218342_200012280681 [0,1,0,0,0,1|1,0,0]=3 4975 B17R2.3956 S=c1cc[nH]cc1SCSc2ccccc2 62a_200012280681_100011218342 [0,1,0,0,0,1|1,0,0]=3 4976 B17R2.3956 [O-][n+]1ccccc1SCCc2ccccc2 62a_100000765856_200000042595 [0,1,0,0,0,1|2,0,0]=4 4977 B17R2.3956 [O-][n+]1ccccc1SCSc2ccccc2 62a_100011218342_200000042595 [0,1,0,0,0,1|1,0,0]=3 4978 B17R2.5301 Brc1cc(ccn1)CSCc2ccccc2 62a_100000211182_100010243470 [0,1,0,0,0,1|2,0,0]=4 4979 B17R2.5301 Brc1cc(ccn1)CSCc2ccccc2 62a_100010254460_100015291786 [0,1,0,0,0,1|2,0,0]=4 4980 B17R2.5301 Brc1cc(ccn1)SCCc2ccccc2 62a_100000765856_100009814637 [0,1,0,0,0,1|2,0,0]=4 4981 B17R2.5301 Brc1cc(ccn1)SCCc2ccccc2 62a_100009814637_100011218657 [0,1,0,0,0,1|2,0,0]=4 4982 B17R2.5301 Brc1cc(ccn1)SCSc2ccccc2 62a_100009814637_100011218342 [0,1,0,0,0,1|1,0,0]=3 4983 B17R2.5301 Brc1cc(ccn1)SCSc2ccccc2 62a_100011218342_100009814637 [0,1,0,0,0,1|1,0,0]=3 4984 B17R2.5301 Brc1cccc(c1)C=CCc2ccccc2 271570a_200016263579_100000691529 [0,1,0,0,0,1|2,0,0]=4 4985 B17R2.5301 Brc1cccc(c1)C=NNc2ccccc2 4a_100015195140_100000210085 [0,1,0,0,0,1|2,0,0]=4 4986 B17R2.5301 Brc1cccc(c1)CCNc2ccccc2 34a_100000106764_100011740638 [0,1,0,0,0,1|2,0,0]=4 4987 B17R2.5301 Brc1cccc(c1)CCOc2ccccc2 34a_100000210340_100011740638 [0,1,0,0,0,1|1,1,0]=4 4988 B17R2.5301 Brc1cccc(c1)CCOc2ccccc2 7a_100000210340_100011740638 [0,1,0,0,0,1|1,1,0]=4 4989 B17R2.5301 Brc1cccc(c1)CCSc2ccccc2 62a_100000719477_100011740638 [0,1,0,0,0,1|1,0,0]=3 4990 B17R2.5301 Brc1cccc(c1)CCSc2ccccc2 62a_100011740638_100000041952 [0,1,0,0,0,1|1,0,0]=3 4991 B17R2.5301 Brc1cccc(c1)CCSc2ccccn2 62a_100011216584_100011740638 [0,1,0,0,0,1|2,0,0]=4 4992 B17R2.5301 Brc1cccc(c1)CCSc2ccccn2 62a_100011740638_100011216584 [0,1,0,0,0,1|2,0,0]=4 4993 B17R2.5301 Brc1cccc(c1)CCSc2cccnc2 62a_100000210063_100011740638 [0,1,0,0,0,1|2,0,0]=4 4994 B17R2.5301 Brc1cccc(c1)CCSc2cccnc2 62a_100011740638_100000210063 [0,1,0,0,0,1|2,0,0]=4 4995 B17R2.5301 Brc1cccc(c1)CCSc2ccncc2 62a_100000728582_100011740638 [0,1,0,0,0,1|2,0,0]=4 4996 B17R2.5301 Brc1cccc(c1)CCSc2ccncc2 62a_100011740638_100000728582 [0,1,0,0,0,1|2,0,0]=4 4997 B17R2.5301 Brc1cccc(c1)CNCc2ccccc2 207a_100000174977_100015611070 [0,1,0,0,0,1|2,0,0]=4 4998 B17R2.5301 Brc1cccc(c1)CNCc2ccccc2 207a_100015324214_100000210085 [0,1,0,0,0,1|2,0,0]=4 4999 B17R2.5301 Brc1cccc(c1)CNCc2ccccc2 2230a_100000174977_100015291786 [0,1,0,0,0,1|2,0,0]=4 5000 B17R2.5301 Brc1cccc(c1)CNCc2ccccc2 2230a_100015324214_100000698116 [0,1,0,0,0,1|2,0,0]=4 5001 B17R2.5301 Brc1cccc(c1)CNCc2ccccc2 270004a_100000174977_100015611070 [0,1,0,0,0,1|2,0,0]=4 5002 B17R2.5301 Brc1cccc(c1)CNCc2ccccc2 270004a_100015324214_100000210085 [0,1,0,0,0,1|2,0,0]=4 5003 B17R2.5301 Brc1cccc(c1)CNCc2ccccc2 34a_100000174977_100015291786 [0,1,0,0,0,1|2,0,0]=4 5004 B17R2.5301 Brc1cccc(c1)CNCc2ccccc2 34a_100015324214_100000698116 [0,1,0,0,0,1|2,0,0]=4 5005 B17R2.5301 Brc1cccc(c1)COCc2ccccc2 34a_100000210790_100000698116 [0,1,0,0,0,1|1,1,0]=4 5006 B17R2.5301 Brc1cccc(c1)COCc2ccccc2 34a_100000687537_100015291786 [0,1,0,0,0,1|1,1,0]=4 5007 B17R2.5301 Brc1cccc(c1)COCc2ccccc2 7a_100000210790_100000211773 [0,1,0,0,0,1|1,1,0]=4 5008 B17R2.5301 Brc1cccc(c1)COCc2ccccc2 7a_100000687537_100000211182 [0,1,0,0,0,1|1,1,0]=4 5009 B17R2.5301 Brc1cccc(c1)CSCc2ccccc2 62a_100000211182_100000211773 [0,1,0,0,0,1|1,0,0]=3 5010 B17R2.5301 Brc1cccc(c1)CSCc2ccccc2 62a_100000211773_100015291786 [0,1,0,0,0,1|1,0,0]=3 5011 B17R2.5301 Brc1cccc(c1)CSCc2ccccn2 62a_100000211773_100000721315 [0,1,0,0,0,1|2,0,0]=4 5012 B17R2.5301 Brc1cccc(c1)CSCc2ccccn2 62a_100000721315_100000211773 [0,1,0,0,0,1|2,0,0]=4 5013 B17R2.5301 Brc1cccc(c1)CSCc2cccnc2 62a_100000211773_100000741622 [0,1,0,0,0,1|2,0,0]=4 5014 B17R2.5301 Brc1cccc(c1)CSCc2cccnc2 62a_100000741622_100000211773 [0,1,0,0,0,1|2,0,0]=4 5015 B17R2.5301 Brc1cccc(c1)CSCc2ccncc2 62a_100000211773_100015193705 [0,1,0,0,0,1|2,0,0]=4 5016 B17R2.5301 Brc1cccc(c1)CSCc2ccncc2 62a_100015193705_100000211773 [0,1,0,0,0,1|2,0,0]=4 5017 B17R2.5301 Brc1cccc(c1)NCCc2ccccc2 34a_100000210019_100000765856 [0,1,0,0,0,1|2,0,0]=4 5018 B17R2.5301 Brc1cccc(c1)NN=Cc2ccccc2 4a_100000217339_100015611070 [0,1,0,0,0,1|2,0,0]=4 5019 B17R2.5301 Brc1cccc(c1)OCCc2ccccc2 34a_100000210342_100000765856 [0,1,0,0,0,1|1,1,0]=4 5020 B17R2.5301 Brc1cccc(c1)OCCc2ccccc2 7a_100000210342_100000765856 [0,1,0,0,0,1|1,1,0]=4 5021 B17R2.5301 Brc1cccc(c1)SCCc2ccccc2 62a_100000691529_100011218657 [0,1,0,0,0,1|1,0,0]=3 5022 B17R2.5301 Brc1cccc(c1)SCCc2ccccc2 62a_100000765856_100000691529 [0,1,0,0,0,1|1,0,0]=3 5023 B17R2.5301 Brc1cccc(c1)SCCc2ccccn2 62a_100000691529_100015183660 [0,1,0,0,0,1|2,0,0]=4 5024 B17R2.5301 Brc1cccc(c1)SCCc2ccccn2 62a_100015183660_100000691529 [0,1,0,0,0,1|2,0,0]=4 5025 B17R2.5301 Brc1cccc(c1)SCCc2cccnc2 62a_100000691529_200011713674 [0,1,0,0,0,1|2,0,0]=4 5026 B17R2.5301 Brc1cccc(c1)SCCc2cccnc2 62a_200011713674_100000691529 [0,1,0,0,0,1|2,0,0]=4 5027 B17R2.5301 Brc1cccc(c1)SCCc2ccncc2 62a_100000691529_100000723409 [0,1,0,0,0,1|2,0,0]=4 5028 B17R2.5301 Brc1cccc(c1)SCCc2ccncc2 62a_100000723409_100000691529 [0,1,0,0,0,1|2,0,0]=4 5029 B17R2.5301 Brc1cccc(c1)SCSc2ccccc2 62a_100000691529_100011218342 [0,1,0,0,0,1|0,0,0]=2 5030 B17R2.5301 Brc1cccc(c1)SCSc2ccccc2 62a_100011218342_100000691529 [0,1,0,0,0,1|0,0,0]=2 5031 B17R2.5301 Brc1cccc(n1)CSCc2ccccc2 62a_100000211182_100009889011 [0,1,0,0,0,1|2,0,0]=4 5032 B17R2.5301 Brc1cccc(n1)CSCc2ccccc2 62a_100009889011_100015291786 [0,1,0,0,0,1|2,0,0]=4 5033 B17R2.5301 Brc1cccc(n1)SCCc2ccccc2 62a_100000684672_100011218657 [0,1,0,0,0,1|2,0,0]=4 5034 B17R2.5301 Brc1cccc(n1)SCCc2ccccc2 62a_100000765856_100000684672 [0,1,0,0,0,1|2,0,0]=4 5035 B17R2.5301 Brc1cccc(n1)SCSc2ccccc2 62a_100000684672_100011218342 [0,1,0,0,0,1|1,0,0]=3 5036 B17R2.5301 Brc1cccc(n1)SCSc2ccccc2 62a_100011218342_100000684672 [0,1,0,0,0,1|1,0,0]=3 5037 B17R2.5301 Brc1ccnc(c1)CSCc2ccccc2 62a_100000211182_100010173614 [0,1,0,0,0,1|2,0,0]=4 5038 B17R2.5301 Brc1ccnc(c1)CSCc2ccccc2 62a_100010173614_100015291786 [0,1,0,0,0,1|2,0,0]=4 5039 B17R2.5301 Brc1cncc(c1)CSCc2ccccc2 62a_100000211182_100000738771 [0,1,0,0,0,1|2,0,0]=4 5040 B17R2.5301 Brc1cncc(c1)CSCc2ccccc2 62a_100000738771_100015291786 [0,1,0,0,0,1|2,0,0]=4 5041 B17R2.5301 Brc1cncc(c1)SCCc2ccccc2 62a_100000728054_100011218657 [0,1,0,0,0,1|2,0,0]=4 5042 B17R2.5301 Brc1cncc(c1)SCCc2ccccc2 62a_100000765856_100000728054 [0,1,0,0,0,1|2,0,0]=4 5043 B17R2.5301 Brc1cncc(c1)SCSc2ccccc2 62a_100000728054_100011218342 [0,1,0,0,0,1|1,0,0]=3 5044 B17R2.5301 Brc1cncc(c1)SCSc2ccccc2 62a_100011218342_100000728054 [0,1,0,0,0,1|1,0,0]=3 5045 B17R2.5301 C[n+]1cccc(c1)SCCc2ccccc2 62a_100000765856_100009996589 [0,1,0,0,0,1|2,0,0]=4 5046 B17R2.5301 C[n+]1cccc(c1)SCCc2ccccc2 62a_100009996589_100011218657 [0,1,0,0,0,1|2,0,0]=4 5047 B17R2.5301 C[n+]1cccc(c1)SCSc2ccccc2 62a_100009996589_100011218342 [0,1,0,0,0,1|1,0,0]=3 5048 B17R2.5301 C[n+]1cccc(c1)SCSc2ccccc2 62a_100011218342_100009996589 [0,1,0,0,0,1|1,0,0]=3 5049 B17R2.5301 Cc1cc(ccn1)CSCc2ccccc2 62a_100000211182_200020672517 [0,1,0,0,0,1|2,0,0]=4 5050 B17R2.5301 Cc1cc(ccn1)CSCc2ccccc2 62a_200020672517_100015291786 [0,1,0,0,0,1|2,0,0]=4 5051 B17R2.5301 Cc1cc(ccn1)SCCc2ccccc2 62a_100000758586_100011218657 [0,1,0,0,0,1|2,0,0]=4 5052 B17R2.5301 Cc1cc(ccn1)SCCc2ccccc2 62a_100000765856_100000758586 [0,1,0,0,0,1|2,0,0]=4 5053 B17R2.5301 Cc1cc(ccn1)SCSc2ccccc2 62a_100000758586_100011218342 [0,1,0,0,0,1|1,0,0]=3 5054 B17R2.5301 Cc1cc(ccn1)SCSc2ccccc2 62a_100011218342_100000758586 [0,1,0,0,0,1|1,0,0]=3 5055 B17R2.5301 Cc1cc(ncn1)SCSc2ccccc2 62a_100000744208_100011218342 [0,1,0,0,0,1|2,0,0]=4 5056 B17R2.5301 Cc1cc(ncn1)SCSc2ccccc2 62a_100011218342_100000744208 [0,1,0,0,0,1|2,0,0]=4 5057 B17R2.5301 Cc1cccc(c1)C=CCc2ccccc2 271570a_200016263579_100011215228 [0,1,0,0,0,1|2,0,0]=4 5058 B17R2.5301 Cc1cccc(c1)C=NNc2ccccc2 4a_100015195140_100000211157 [0,1,0,0,0,1|2,0,0]=4 5059 B17R2.5301 Cc1cccc(c1)CCNc2ccccc2 34a_100000106764_100011713685 [0,1,0,0,0,1|2,0,0]=4 5060 B17R2.5301 Cc1cccc(c1)CCOc2ccccc2 34a_100000210340_100011713685 [0,1,0,0,0,1|1,1,0]=4 5061 B17R2.5301 Cc1cccc(c1)CCOc2ccccc2 7a_100000210340_100011713685 [0,1,0,0,0,1|1,1,0]=4 5062 B17R2.5301 Cc1cccc(c1)CCSc2ccccc2 62a_100000719477_100011713685 [0,1,0,0,0,1|1,0,0]=3 5063 B17R2.5301 Cc1cccc(c1)CCSc2ccccc2 62a_100011713685_100000041952 [0,1,0,0,0,1|1,0,0]=3 5064 B17R2.5301 Cc1cccc(c1)CCSc2ccccn2 62a_100011216584_100011713685 [0,1,0,0,0,1|2,0,0]=4 5065 B17R2.5301 Cc1cccc(c1)CCSc2ccccn2 62a_100011713685_100011216584 [0,1,0,0,0,1|2,0,0]=4 5066 B17R2.5301 Cc1cccc(c1)CCSc2cccnc2 62a_100000210063_100011713685 [0,1,0,0,0,1|2,0,0]=4 5067 B17R2.5301 Cc1cccc(c1)CCSc2cccnc2 62a_100011713685_100000210063 [0,1,0,0,0,1|2,0,0]=4 5068 B17R2.5301 Cc1cccc(c1)CCSc2ccncc2 62a_100000728582_100011713685 [0,1,0,0,0,1|2,0,0]=4 5069 B17R2.5301 Cc1cccc(c1)CCSc2ccncc2 62a_100011713685_100000728582 [0,1,0,0,0,1|2,0,0]=4 5070 B17R2.5301 Cc1cccc(c1)CNCc2ccccc2 207a_100000185548_100015611070 [0,1,0,0,0,1|2,0,0]=4 5071 B17R2.5301 Cc1cccc(c1)CNCc2ccccc2 207a_100015324214_100000211157 [0,1,0,0,0,1|2,0,0]=4 5072 B17R2.5301 Cc1cccc(c1)CNCc2ccccc2 2230a_100000185548_100015291786 [0,1,0,0,0,1|2,0,0]=4 5073 B17R2.5301 Cc1cccc(c1)CNCc2ccccc2 2230a_100015324214_100000211840 [0,1,0,0,0,1|2,0,0]=4 5074 B17R2.5301 Cc1cccc(c1)CNCc2ccccc2 270004a_100000185548_100015611070 [0,1,0,0,0,1|2,0,0]=4 5075 B17R2.5301 Cc1cccc(c1)CNCc2ccccc2 270004a_100015324214_100000211157 [0,1,0,0,0,1|2,0,0]=4 5076 B17R2.5301 Cc1cccc(c1)CNCc2ccccc2 34a_100000185548_100015291786 [0,1,0,0,0,1|2,0,0]=4 5077 B17R2.5301 Cc1cccc(c1)CNCc2ccccc2 34a_100015324214_100000211840 [0,1,0,0,0,1|2,0,0]=4 5078 B17R2.5301 Cc1cccc(c1)COCc2ccccc2 34a_100000210790_100000211840 [0,1,0,0,0,1|1,1,0]=4 5079 B17R2.5301 Cc1cccc(c1)COCc2ccccc2 34a_100011217746_100015291786 [0,1,0,0,0,1|1,1,0]=4 5080 B17R2.5301 Cc1cccc(c1)COCc2ccccc2 7a_100000210790_100000211840 [0,1,0,0,0,1|1,1,0]=4 5081 B17R2.5301 Cc1cccc(c1)COCc2ccccc2 7a_100011217746_100000211182 [0,1,0,0,0,1|1,1,0]=4 5082 B17R2.5301 Cc1cccc(c1)CSCc2ccccc2 62a_100000211182_100000211840 [0,1,0,0,0,1|1,0,0]=3 5083 B17R2.5301 Cc1cccc(c1)CSCc2ccccc2 62a_100000211840_100015291786 [0,1,0,0,0,1|1,0,0]=3 5084 B17R2.5301 Cc1cccc(c1)CSCc2ccccn2 62a_100000211840_100000721315 [0,1,0,0,0,1|2,0,0]=4 5085 B17R2.5301 Cc1cccc(c1)CSCc2ccccn2 62a_100000721315_100000211840 [0,1,0,0,0,1|2,0,0]=4 5086 B17R2.5301 Cc1cccc(c1)CSCc2cccnc2 62a_100000211840_100000741622 [0,1,0,0,0,1|2,0,0]=4 5087 B17R2.5301 Cc1cccc(c1)CSCc2cccnc2 62a_100000741622_100000211840 [0,1,0,0,0,1|2,0,0]=4 5088 B17R2.5301 Cc1cccc(c1)CSCc2ccncc2 62a_100000211840_100015193705 [0,1,0,0,0,1|2,0,0]=4 5089 B17R2.5301 Cc1cccc(c1)CSCc2ccncc2 62a_100015193705_100000211840 [0,1,0,0,0,1|2,0,0]=4 5090 B17R2.5301 Cc1cccc(c1)NCCc2ccccc2 2230a_100000188690_100000765856 [0,1,0,0,0,1|2,0,0]=4 5091 B17R2.5301 Cc1cccc(c1)NCCc2ccccc2 34a_100000188690_100000765856 [0,1,0,0,0,1|2,0,0]=4 5092 B17R2.5301 Cc1cccc(c1)NCSc2ccccc2 2230a_100000188690_100011218342 [0,1,0,0,0,1|1,0,0]=3 5093 B17R2.5301 Cc1cccc(c1)NN=Cc2ccccc2 4a_100000681630_100015611070 [0,1,0,0,0,1|2,0,0]=4 5094 B17R2.5301 Cc1cccc(c1)OCCc2ccccc2 34a_100000210337_100000765856 [0,1,0,0,0,1|1,1,0]=4 5095 B17R2.5301 Cc1cccc(c1)OCCc2ccccc2 7a_100000210337_100000765856 [0,1,0,0,0,1|1,1,0]=4 5096 B17R2.5301 Cc1cccc(c1)SCCc2ccccc2 62a_100000765856_100011215228 [0,1,0,0,0,1|1,0,0]=3 5097 B17R2.5301 Cc1cccc(c1)SCCc2ccccc2 62a_100011215228_100011218657 [0,1,0,0,0,1|1,0,0]=3 5098 B17R2.5301 Cc1cccc(c1)SCCc2ccccn2 62a_100011215228_100015183660 [0,1,0,0,0,1|2,0,0]=4 5099 B17R2.5301 Cc1cccc(c1)SCCc2ccccn2 62a_100015183660_100011215228 [0,1,0,0,0,1|2,0,0]=4 5100 B17R2.5301 Cc1cccc(c1)SCCc2cccnc2 62a_100011215228_200011713674 [0,1,0,0,0,1|2,0,0]=4 5101 B17R2.5301 Cc1cccc(c1)SCCc2cccnc2 62a_200011713674_100011215228 [0,1,0,0,0,1|2,0,0]=4 5102 B17R2.5301 Cc1cccc(c1)SCCc2ccncc2 62a_100000723409_100011215228 [0,1,0,0,0,1|2,0,0]=4 5103 B17R2.5301 Cc1cccc(c1)SCCc2ccncc2 62a_100011215228_100000723409 [0,1,0,0,0,1|2,0,0]=4 5104 B17R2.5301 Cc1cccc(c1)SCSc2ccccc2 62a_100011215228_100011218342 [0,1,0,0,0,1|0,0,0]=2 5105 B17R2.5301 Cc1cccc(c1)SCSc2ccccc2 62a_100011218342_100011215228 [0,1,0,0,0,1|0,0,0]=2 5106 B17R2.5301 Cc1cccc(n1)CSCc2ccccc2 62a_100000211182_100000757606 [0,1,0,0,0,1|2,0,0]=4 5107 B17R2.5301 Cc1cccc(n1)CSCc2ccccc2 62a_100000757606_100015291786 [0,1,0,0,0,1|2,0,0]=4 5108 B17R2.5301 Cc1cccc(n1)SCCc2ccccc2 62a_100000742759_100011218657 [0,1,0,0,0,1|2,0,0]=4 5109 B17R2.5301 Cc1cccc(n1)SCCc2ccccc2 62a_100000765856_100000742759 [0,1,0,0,0,1|2,0,0]=4 5110 B17R2.5301 Cc1cccc(n1)SCSc2ccccc2 62a_100000742759_100011218342 [0,1,0,0,0,1|1,0,0]=3 5111 B17R2.5301 Cc1cccc(n1)SCSc2ccccc2 62a_100011218342_100000742759 [0,1,0,0,0,1|1,0,0]=3 5112 B17R2.5301 Cc1ccnc(c1)CSCc2ccccc2 62a_100000211182_100000718516 [0,1,0,0,0,1|2,0,0]=4 5113 B17R2.5301 Cc1ccnc(c1)CSCc2ccccc2 62a_100000718516_100015291786 [0,1,0,0,0,1|2,0,0]=4 5114 B17R2.5301 Cc1ccnc(c1)SCCc2ccccc2 62a_100000750283_100011218657 [0,1,0,0,0,1|2,0,0]=4 5115 B17R2.5301 Cc1ccnc(c1)SCCc2ccccc2 62a_100000765856_100000750283 [0,1,0,0,0,1|2,0,0]=4 5116 B17R2.5301 Cc1ccnc(c1)SCSc2ccccc2 62a_100000750283_100011218342 [0,1,0,0,0,1|1,0,0]=3 5117 B17R2.5301 Cc1ccnc(c1)SCSc2ccccc2 62a_100011218342_100000750283 [0,1,0,0,0,1|1,0,0]=3 5118 B17R2.5301 Cc1ccnc(n1)SCSc2ccccc2 62a_100011218342_100011243806 [0,1,0,0,0,1|2,0,0]=4 5119 B17R2.5301 Cc1ccnc(n1)SCSc2ccccc2 62a_100011243806_100011218342 [0,1,0,0,0,1|2,0,0]=4 5120 B17R2.5301 Cc1cncc(c1)CSCc2ccccc2 62a_100000211182_100000716715 [0,1,0,0,0,1|2,0,0]=4 5121 B17R2.5301 Cc1cncc(c1)CSCc2ccccc2 62a_100000716715_100015291786 [0,1,0,0,0,1|2,0,0]=4 5122 B17R2.5301 Cc1cncc(c1)SCCc2ccccc2 62a_100000760492_100011218657 [0,1,0,0,0,1|2,0,0]=4 5123 B17R2.5301 Cc1cncc(c1)SCCc2ccccc2 62a_100000765856_100000760492 [0,1,0,0,0,1|2,0,0]=4 5124 B17R2.5301 Cc1cncc(c1)SCSc2ccccc2 62a_100000760492_100011218342 [0,1,0,0,0,1|1,0,0]=3 5125 B17R2.5301 Cc1cncc(c1)SCSc2ccccc2 62a_100011218342_100000760492 [0,1,0,0,0,1|1,0,0]=3 5126 B17R2.5301 Cc1cncc(n1)SCSc2ccccc2 62a_100000754123_100011218342 [0,1,0,0,0,1|2,0,0]=4 5127 B17R2.5301 Cc1cncc(n1)SCSc2ccccc2 62a_100011218342_100000754123 [0,1,0,0,0,1|2,0,0]=4 5128 B17R2.5301 Cc1cnnc(c1)SCSc2ccccc2 62a_100000070100_100011218342 [0,1,0,0,0,1|2,0,0]=4 5129 B17R2.5301 Cc1cnnc(c1)SCSc2ccccc2 62a_100011218342_100000070100 [0,1,0,0,0,1|2,0,0]=4 5130 B17R2.5301 Cc1nccc(n1)SCSc2ccccc2 62a_100000749937_100011218342 [0,1,0,0,0,1|2,0,0]=4 5131 B17R2.5301 Cc1nccc(n1)SCSc2ccccc2 62a_100011218342_100000749937 [0,1,0,0,0,1|2,0,0]=4 5132 B17R2.5301 Clc1cc(ccn1)CSCc2ccccc2 62a_100000211182_100000764220 [0,1,0,0,0,1|2,0,0]=4 5133 B17R2.5301 Clc1cc(ccn1)CSCc2ccccc2 62a_100000764220_100015291786 [0,1,0,0,0,1|2,0,0]=4 5134 B17R2.5301 Clc1cc(ccn1)SCCc2ccccc2 62a_100000035001_100011218657 [0,1,0,0,0,1|2,0,0]=4 5135 B17R2.5301 Clc1cc(ccn1)SCCc2ccccc2 62a_100000765856_100000035001 [0,1,0,0,0,1|2,0,0]=4 5136 B17R2.5301 Clc1cc(ccn1)SCSc2ccccc2 62a_100000035001_100011218342 [0,1,0,0,0,1|1,0,0]=3 5137 B17R2.5301 Clc1cc(ccn1)SCSc2ccccc2 62a_100011218342_100000035001 [0,1,0,0,0,1|1,0,0]=3 5138 B17R2.5301 Clc1cc(ncn1)SCSc2ccccc2 62a_100010161198_100011218342 [0,1,0,0,0,1|2,0,0]=4 5139 B17R2.5301 Clc1cc(ncn1)SCSc2ccccc2 62a_100011218342_100010161198 [0,1,0,0,0,1|2,0,0]=4 5140 B17R2.5301 Clc1cccc(c1)C=CCc2ccccc2 271570a_200016263579_100000699651 [0,1,0,0,0,1|2,0,0]=4 5141 B17R2.5301 Clc1cccc(c1)C=NNc2ccccc2 4a_100015195140_100000210801 [0,1,0,0,0,1|2,0,0]=4 5142 B17R2.5301 Clc1cccc(c1)CCNc2ccccc2 34a_100000106764_100011713710 [0,1,0,0,0,1|2,0,0]=4 5143 B17R2.5301 Clc1cccc(c1)CCOc2ccccc2 34a_100000210340_100011713710 [0,1,0,0,0,1|1,1,0]=4 5144 B17R2.5301 Clc1cccc(c1)CCOc2ccccc2 7a_100000210340_100011713710 [0,1,0,0,0,1|1,1,0]=4 5145 B17R2.5301 Clc1cccc(c1)CCSc2ccccc2 62a_100000719477_100011713710 [0,1,0,0,0,1|1,0,0]=3 5146 B17R2.5301 Clc1cccc(c1)CCSc2ccccc2 62a_100011713710_100000041952 [0,1,0,0,0,1|1,0,0]=3 5147 B17R2.5301 Clc1cccc(c1)CCSc2ccccn2 62a_100011216584_100011713710 [0,1,0,0,0,1|2,0,0]=4 5148 B17R2.5301 Clc1cccc(c1)CCSc2ccccn2 62a_100011713710_100011216584 [0,1,0,0,0,1|2,0,0]=4 5149 B17R2.5301 Clc1cccc(c1)CCSc2cccnc2 62a_100000210063_100011713710 [0,1,0,0,0,1|2,0,0]=4 5150 B17R2.5301 Clc1cccc(c1)CCSc2cccnc2 62a_100011713710_100000210063 [0,1,0,0,0,1|2,0,0]=4 5151 B17R2.5301 Clc1cccc(c1)CCSc2ccncc2 62a_100000728582_100011713710 [0,1,0,0,0,1|2,0,0]=4 5152 B17R2.5301 Clc1cccc(c1)CCSc2ccncc2 62a_100011713710_100000728582 [0,1,0,0,0,1|2,0,0]=4 5153 B17R2.5301 Clc1cccc(c1)CNCc2ccccc2 207a_100000174878_100015611070 [0,1,0,0,0,1|2,0,0]=4 5154 B17R2.5301 Clc1cccc(c1)CNCc2ccccc2 207a_100015324214_100000210801 [0,1,0,0,0,1|2,0,0]=4 5155 B17R2.5301 Clc1cccc(c1)CNCc2ccccc2 2230a_100000174878_100015291786 [0,1,0,0,0,1|2,0,0]=4 5156 B17R2.5301 Clc1cccc(c1)CNCc2ccccc2 2230a_100015324214_100000181238 [0,1,0,0,0,1|2,0,0]=4 5157 B17R2.5301 Clc1cccc(c1)CNCc2ccccc2 270004a_100000174878_100015611070 [0,1,0,0,0,1|2,0,0]=4 5158 B17R2.5301 Clc1cccc(c1)CNCc2ccccc2 270004a_100015324214_100000210801 [0,1,0,0,0,1|2,0,0]=4 5159 B17R2.5301 Clc1cccc(c1)CNCc2ccccc2 34a_100000174878_100015291786 [0,1,0,0,0,1|2,0,0]=4 5160 B17R2.5301 Clc1cccc(c1)CNCc2ccccc2 34a_100015324214_100000187163 [0,1,0,0,0,1|2,0,0]=4 5161 B17R2.5301 Clc1cccc(c1)COCc2ccccc2 34a_100000210790_100000187163 [0,1,0,0,0,1|1,1,0]=4 5162 B17R2.5301 Clc1cccc(c1)COCc2ccccc2 34a_100000241301_100015291786 [0,1,0,0,0,1|1,1,0]=4 5163 B17R2.5301 Clc1cccc(c1)COCc2ccccc2 7a_100000210790_100000187163 [0,1,0,0,0,1|1,1,0]=4 5164 B17R2.5301 Clc1cccc(c1)COCc2ccccc2 7a_100000241301_100000211182 [0,1,0,0,0,1|1,1,0]=4 5165 B17R2.5301 Clc1cccc(c1)CSCc2ccccc2 62a_100000187163_100015291786 [0,1,0,0,0,1|1,0,0]=3 5166 B17R2.5301 Clc1cccc(c1)CSCc2ccccc2 62a_100000211182_100000187163 [0,1,0,0,0,1|1,0,0]=3 5167 B17R2.5301 Clc1cccc(c1)CSCc2ccccn2 62a_100000187163_100000721315 [0,1,0,0,0,1|2,0,0]=4 5168 B17R2.5301 Clc1cccc(c1)CSCc2ccccn2 62a_100000721315_100000187163 [0,1,0,0,0,1|2,0,0]=4 5169 B17R2.5301 Clc1cccc(c1)CSCc2cccnc2 62a_100000187163_100000741622 [0,1,0,0,0,1|2,0,0]=4 5170 B17R2.5301 Clc1cccc(c1)CSCc2cccnc2 62a_100000741622_100000187163 [0,1,0,0,0,1|2,0,0]=4 5171 B17R2.5301 Clc1cccc(c1)CSCc2ccncc2 62a_100000187163_100015193705 [0,1,0,0,0,1|2,0,0]=4 5172 B17R2.5301 Clc1cccc(c1)CSCc2ccncc2 62a_100015193705_100000187163 [0,1,0,0,0,1|2,0,0]=4 5173 B17R2.5301 Clc1cccc(c1)NCCc2ccccc2 34a_100000185859_100000765856 [0,1,0,0,0,1|2,0,0]=4 5174 B17R2.5301 Clc1cccc(c1)NN=Cc2ccccc2 4a_100000184277_100015611070 [0,1,0,0,0,1|2,0,0]=4 5175 B17R2.5301 Clc1cccc(c1)OCCc2ccccc2 34a_100000210295_100000765856 [0,1,0,0,0,1|1,1,0]=4 5176 B17R2.5301 Clc1cccc(c1)OCCc2ccccc2 7a_100000210295_100000765856 [0,1,0,0,0,1|1,1,0]=4 5177 B17R2.5301 Clc1cccc(c1)SCCc2ccccc2 62a_100000699651_100011218657 [0,1,0,0,0,1|1,0,0]=3 5178 B17R2.5301 Clc1cccc(c1)SCCc2ccccc2 62a_100000765856_100000699651 [0,1,0,0,0,1|1,0,0]=3 5179 B17R2.5301 Clc1cccc(c1)SCCc2ccccn2 62a_100000699651_100015183660 [0,1,0,0,0,1|2,0,0]=4 5180 B17R2.5301 Clc1cccc(c1)SCCc2ccccn2 62a_100015183660_100000699651 [0,1,0,0,0,1|2,0,0]=4 5181 B17R2.5301 Clc1cccc(c1)SCCc2cccnc2 62a_100000699651_200011713674 [0,1,0,0,0,1|2,0,0]=4 5182 B17R2.5301 Clc1cccc(c1)SCCc2cccnc2 62a_200011713674_100000699651 [0,1,0,0,0,1|2,0,0]=4 5183 B17R2.5301 Clc1cccc(c1)SCCc2ccncc2 62a_100000699651_100000723409 [0,1,0,0,0,1|2,0,0]=4 5184 B17R2.5301 Clc1cccc(c1)SCCc2ccncc2 62a_100000723409_100000699651 [0,1,0,0,0,1|2,0,0]=4 5185 B17R2.5301 Clc1cccc(c1)SCSc2ccccc2 62a_100000699651_100011218342 [0,1,0,0,0,1|0,0,0]=2 5186 B17R2.5301 Clc1cccc(c1)SCSc2ccccc2 62a_100011218342_100000699651 [0,1,0,0,0,1|0,0,0]=2 5187 B17R2.5301 Clc1cccc(n1)CSCc2ccccc2 62a_100000086093_100015291786 [0,1,0,0,0,1|2,0,0]=4 5188 B17R2.5301 Clc1cccc(n1)CSCc2ccccc2 62a_100000211182_100000086093 [0,1,0,0,0,1|2,0,0]=4 5189 B17R2.5301 Clc1cccc(n1)SCCc2ccccc2 62a_100000051397_100011218657 [0,1,0,0,0,1|2,0,0]=4 5190 B17R2.5301 Clc1cccc(n1)SCCc2ccccc2 62a_100000765856_100000051397 [0,1,0,0,0,1|2,0,0]=4 5191 B17R2.5301 Clc1cccc(n1)SCSc2ccccc2 62a_100000051397_100011218342 [0,1,0,0,0,1|1,0,0]=3 5192 B17R2.5301 Clc1cccc(n1)SCSc2ccccc2 62a_100011218342_100000051397 [0,1,0,0,0,1|1,0,0]=3 5193 B17R2.5301 Clc1ccnc(c1)CSCc2ccccc2 62a_100000211182_100016988179 [0,1,0,0,0,1|2,0,0]=4 5194 B17R2.5301 Clc1ccnc(c1)CSCc2ccccc2 62a_100016988179_100015291786 [0,1,0,0,0,1|2,0,0]=4 5195 B17R2.5301 Clc1ccnc(c1)SCCc2ccccc2 62a_100000765856_100010167805 [0,1,0,0,0,1|2,0,0]=4 5196 B17R2.5301 Clc1ccnc(c1)SCCc2ccccc2 62a_100010167805_100011218657 [0,1,0,0,0,1|2,0,0]=4 5197 B17R2.5301 Clc1ccnc(c1)SCSc2ccccc2 62a_100010167805_100011218342 [0,1,0,0,0,1|1,0,0]=3 5198 B17R2.5301 Clc1ccnc(c1)SCSc2ccccc2 62a_100011218342_100010167805 [0,1,0,0,0,1|1,0,0]=3 5199 B17R2.5301 Clc1cncc(c1)CSCc2ccccc2 62a_100000211182_100016992070 [0,1,0,0,0,1|2,0,0]=4 5200 B17R2.5301 Clc1cncc(c1)CSCc2ccccc2 62a_100016992070_100015291786 [0,1,0,0,0,1|2,0,0]=4 5201 B17R2.5301 Clc1cncc(c1)SCCc2ccccc2 62a_100000049639_100011218657 [0,1,0,0,0,1|2,0,0]=4 5202 B17R2.5301 Clc1cncc(c1)SCCc2ccccc2 62a_100000765856_100000049639 [0,1,0,0,0,1|2,0,0]=4 5203 B17R2.5301 Clc1cncc(c1)SCSc2ccccc2 62a_100000049639_100011218342 [0,1,0,0,0,1|1,0,0]=3 5204 B17R2.5301 Clc1cncc(c1)SCSc2ccccc2 62a_100011218342_100000049639 [0,1,0,0,0,1|1,0,0]=3 5205 B17R2.5301 Clc1cncc(n1)SCSc2ccccc2 62a_100010892449_100011218342 [0,1,0,0,0,1|2,0,0]=4 5206 B17R2.5301 Clc1cncc(n1)SCSc2ccccc2 62a_100011218342_100010892449 [0,1,0,0,0,1|2,0,0]=4 5207 B17R2.5301 Clc1nccc(n1)SCSc2ccccc2 62a_100010154678_100011218342 [0,1,0,0,0,1|2,0,0]=4 5208 B17R2.5301 Clc1nccc(n1)SCSc2ccccc2 62a_100011218342_100010154678 [0,1,0,0,0,1|2,0,0]=4 5209 B17R2.5301 Fc1cc(ccn1)SCCc2ccccc2 62a_100000765856_100009816116 [0,1,0,0,0,1|2,0,0]=4 5210 B17R2.5301 Fc1cc(ccn1)SCCc2ccccc2 62a_100009816116_100011218657 [0,1,0,0,0,1|2,0,0]=4 5211 B17R2.5301 Fc1cc(ccn1)SCSc2ccccc2 62a_100009816116_100011218342 [0,1,0,0,0,1|1,0,0]=3 5212 B17R2.5301 Fc1cc(ccn1)SCSc2ccccc2 62a_100011218342_100009816116 [0,1,0,0,0,1|1,0,0]=3 5213 B17R2.5301 Fc1cc(ncn1)SCSc2ccccc2 62a_100011218342_200009880791 [0,1,0,0,0,1|2,0,0]=4 5214 B17R2.5301 Fc1cc(ncn1)SCSc2ccccc2 62a_200009880791_100011218342 [0,1,0,0,0,1|2,0,0]=4 5215 B17R2.5301 Fc1cccc(c1)C=CCc2ccccc2 271570a_200016263579_100000685547 [0,1,0,0,0,1|2,0,0]=4 5216 B17R2.5301 Fc1cccc(c1)C=NNc2ccccc2 4a_100015195140_100000210812 [0,1,0,0,0,1|2,0,0]=4 5217 B17R2.5301 Fc1cccc(c1)CCNc2ccccc2 34a_100000106764_100011217235 [0,1,0,0,0,1|2,0,0]=4 5218 B17R2.5301 Fc1cccc(c1)CCOc2ccccc2 34a_100000210340_100011217235 [0,1,0,0,0,1|1,1,0]=4 5219 B17R2.5301 Fc1cccc(c1)CCOc2ccccc2 7a_100000210340_100011217235 [0,1,0,0,0,1|1,1,0]=4 5220 B17R2.5301 Fc1cccc(c1)CCSc2ccccc2 62a_100000719477_100011217235 [0,1,0,0,0,1|1,0,0]=3 5221 B17R2.5301 Fc1cccc(c1)CCSc2ccccc2 62a_100011217235_100000041952 [0,1,0,0,0,1|1,0,0]=3 5222 B17R2.5301 Fc1cccc(c1)CCSc2ccccn2 62a_100011216584_100011217235 [0,1,0,0,0,1|2,0,0]=4 5223 B17R2.5301 Fc1cccc(c1)CCSc2ccccn2 62a_100011217235_100011216584 [0,1,0,0,0,1|2,0,0]=4 5224 B17R2.5301 Fc1cccc(c1)CCSc2cccnc2 62a_100000210063_100011217235 [0,1,0,0,0,1|2,0,0]=4 5225 B17R2.5301 Fc1cccc(c1)CCSc2cccnc2 62a_100011217235_100000210063 [0,1,0,0,0,1|2,0,0]=4 5226 B17R2.5301 Fc1cccc(c1)CCSc2ccncc2 62a_100000728582_100011217235 [0,1,0,0,0,1|2,0,0]=4 5227 B17R2.5301 Fc1cccc(c1)CCSc2ccncc2 62a_100011217235_100000728582 [0,1,0,0,0,1|2,0,0]=4 5228 B17R2.5301 Fc1cccc(c1)CNCc2ccccc2 207a_100000174948_100015611070 [0,1,0,0,0,1|2,0,0]=4 5229 B17R2.5301 Fc1cccc(c1)CNCc2ccccc2 207a_100015324214_100000210812 [0,1,0,0,0,1|2,0,0]=4 5230 B17R2.5301 Fc1cccc(c1)CNCc2ccccc2 2230a_100000174948_100015291786 [0,1,0,0,0,1|2,0,0]=4 5231 B17R2.5301 Fc1cccc(c1)CNCc2ccccc2 2230a_100015324214_100000230114 [0,1,0,0,0,1|2,0,0]=4 5232 B17R2.5301 Fc1cccc(c1)CNCc2ccccc2 270004a_100000174948_100015611070 [0,1,0,0,0,1|2,0,0]=4 5233 B17R2.5301 Fc1cccc(c1)CNCc2ccccc2 270004a_100015324214_100000210812 [0,1,0,0,0,1|2,0,0]=4 5234 B17R2.5301 Fc1cccc(c1)CNCc2ccccc2 34a_100000174948_100015291786 [0,1,0,0,0,1|2,0,0]=4 5235 B17R2.5301 Fc1cccc(c1)CNCc2ccccc2 34a_100015324214_100000187166 [0,1,0,0,0,1|2,0,0]=4 5236 B17R2.5301 Fc1cccc(c1)COCc2ccccc2 34a_100000210790_100000187166 [0,1,0,0,0,1|1,1,0]=4 5237 B17R2.5301 Fc1cccc(c1)COCc2ccccc2 34a_100000210976_100015291786 [0,1,0,0,0,1|1,1,0]=4 5238 B17R2.5301 Fc1cccc(c1)COCc2ccccc2 7a_100000210790_100000230114 [0,1,0,0,0,1|1,1,0]=4 5239 B17R2.5301 Fc1cccc(c1)COCc2ccccc2 7a_100000210976_100000211182 [0,1,0,0,0,1|1,1,0]=4 5240 B17R2.5301 Fc1cccc(c1)CSCc2ccccc2 62a_100000211182_100000230114 [0,1,0,0,0,1|1,0,0]=3 5241 B17R2.5301 Fc1cccc(c1)CSCc2ccccc2 62a_100000230114_100015291786 [0,1,0,0,0,1|1,0,0]=3 5242 B17R2.5301 Fc1cccc(c1)CSCc2ccccn2 62a_100000230114_100000721315 [0,1,0,0,0,1|2,0,0]=4 5243 B17R2.5301 Fc1cccc(c1)CSCc2ccccn2 62a_100000721315_100000230114 [0,1,0,0,0,1|2,0,0]=4 5244 B17R2.5301 Fc1cccc(c1)CSCc2cccnc2 62a_100000230114_100000741622 [0,1,0,0,0,1|2,0,0]=4 5245 B17R2.5301 Fc1cccc(c1)CSCc2cccnc2 62a_100000741622_100000230114 [0,1,0,0,0,1|2,0,0]=4 5246 B17R2.5301 Fc1cccc(c1)CSCc2ccncc2 62a_100000230114_100015193705 [0,1,0,0,0,1|2,0,0]=4 5247 B17R2.5301 Fc1cccc(c1)CSCc2ccncc2 62a_100015193705_100000230114 [0,1,0,0,0,1|2,0,0]=4 5248 B17R2.5301 Fc1cccc(c1)NCCc2ccccc2 34a_100000210047_100000765856 [0,1,0,0,0,1|2,0,0]=4 5249 B17R2.5301 Fc1cccc(c1)NN=Cc2ccccc2 4a_100000745080_100015611070 [0,1,0,0,0,1|2,0,0]=4 5250 B17R2.5301 Fc1cccc(c1)OCCc2ccccc2 34a_100000210426_100000765856 [0,1,0,0,0,1|1,1,0]=4 5251 B17R2.5301 Fc1cccc(c1)OCCc2ccccc2 7a_100000210426_100000765856 [0,1,0,0,0,1|1,1,0]=4 5252 B17R2.5301 Fc1cccc(c1)SCCc2ccccc2 62a_100000685547_100011218657 [0,1,0,0,0,1|1,0,0]=3 5253 B17R2.5301 Fc1cccc(c1)SCCc2ccccc2 62a_100000765856_100000685547 [0,1,0,0,0,1|1,0,0]=3 5254 B17R2.5301 Fc1cccc(c1)SCCc2ccccn2 62a_100000685547_100015183660 [0,1,0,0,0,1|2,0,0]=4 5255 B17R2.5301 Fc1cccc(c1)SCCc2ccccn2 62a_100015183660_100000685547 [0,1,0,0,0,1|2,0,0]=4 5256 B17R2.5301 Fc1cccc(c1)SCCc2cccnc2 62a_100000685547_200011713674 [0,1,0,0,0,1|2,0,0]=4 5257 B17R2.5301 Fc1cccc(c1)SCCc2cccnc2 62a_200011713674_100000685547 [0,1,0,0,0,1|2,0,0]=4 5258 B17R2.5301 Fc1cccc(c1)SCCc2ccncc2 62a_100000685547_100000723409 [0,1,0,0,0,1|2,0,0]=4 5259 B17R2.5301 Fc1cccc(c1)SCCc2ccncc2 62a_100000723409_100000685547 [0,1,0,0,0,1|2,0,0]=4 5260 B17R2.5301 Fc1cccc(c1)SCSc2ccccc2 62a_100000685547_100011218342 [0,1,0,0,0,1|0,0,0]=2 5261 B17R2.5301 Fc1cccc(c1)SCSc2ccccc2 62a_100011218342_100000685547 [0,1,0,0,0,1|0,0,0]=2 5262 B17R2.5301 Fc1cccc(n1)CSCc2ccccc2 62a_100000211182_100009819644 [0,1,0,0,0,1|2,0,0]=4 5263 B17R2.5301 Fc1cccc(n1)CSCc2ccccc2 62a_100009819644_100015291786 [0,1,0,0,0,1|2,0,0]=4 5264 B17R2.5301 Fc1cccc(n1)SCCc2ccccc2 62a_100000765856_100009815982 [0,1,0,0,0,1|2,0,0]=4 5265 B17R2.5301 Fc1cccc(n1)SCCc2ccccc2 62a_100009815982_100011218657 [0,1,0,0,0,1|2,0,0]=4 5266 B17R2.5301 Fc1cccc(n1)SCSc2ccccc2 62a_100009815982_100011218342 [0,1,0,0,0,1|1,0,0]=3 5267 B17R2.5301 Fc1cccc(n1)SCSc2ccccc2 62a_100011218342_100009815982 [0,1,0,0,0,1|1,0,0]=3 5268 B17R2.5301 Fc1ccnc(c1)SCCc2ccccc2 62a_100000764206_100011218657 [0,1,0,0,0,1|2,0,0]=4 5269 B17R2.5301 Fc1ccnc(c1)SCCc2ccccc2 62a_100000765856_100000764206 [0,1,0,0,0,1|2,0,0]=4 5270 B17R2.5301 Fc1ccnc(c1)SCSc2ccccc2 62a_100000764206_100011218342 [0,1,0,0,0,1|1,0,0]=3 5271 B17R2.5301 Fc1ccnc(c1)SCSc2ccccc2 62a_100011218342_100000764206 [0,1,0,0,0,1|1,0,0]=3 5272 B17R2.5301 Fc1cncc(c1)CSCc2ccccc2 62a_100000211182_100000725299 [0,1,0,0,0,1|2,0,0]=4 5273 B17R2.5301 Fc1cncc(c1)CSCc2ccccc2 62a_100000725299_100015291786 [0,1,0,0,0,1|2,0,0]=4 5274 B17R2.5301 Fc1cncc(c1)SCCc2ccccc2 62a_100000744099_100011218657 [0,1,0,0,0,1|2,0,0]=4 5275 B17R2.5301 Fc1cncc(c1)SCCc2ccccc2 62a_100000765856_100000744099 [0,1,0,0,0,1|2,0,0]=4 5276 B17R2.5301 Fc1cncc(c1)SCSc2ccccc2 62a_100000744099_100011218342 [0,1,0,0,0,1|1,0,0]=3 5277 B17R2.5301 Fc1cncc(c1)SCSc2ccccc2 62a_100011218342_100000744099 [0,1,0,0,0,1|1,0,0]=3 5278 B17R2.5301 Fc1cncc(n1)SCSc2ccccc2 62a_100011218342_200009863489 [0,1,0,0,0,1|2,0,0]=4 5279 B17R2.5301 Fc1cncc(n1)SCSc2ccccc2 62a_200009863489_100011218342 [0,1,0,0,0,1|2,0,0]=4 5280 B17R2.5301 Ic1cccc(c1)C=NNc2ccccc2 4a_100015195140_100000014684 [0,1,0,0,0,1|2,0,0]=4 5281 B17R2.5301 Ic1cccc(c1)CNCc2ccccc2 207a_100000106179_100015611070 [0,1,0,0,0,1|2,0,0]=4 5282 B17R2.5301 Ic1cccc(c1)CNCc2ccccc2 207a_100015324214_100000014684 [0,1,0,0,0,1|2,0,0]=4 5283 B17R2.5301 Ic1cccc(c1)CNCc2ccccc2 2230a_100000106179_100015291786 [0,1,0,0,0,1|2,0,0]=4 5284 B17R2.5301 Ic1cccc(c1)CNCc2ccccc2 2230a_100015324214_100011218688 [0,1,0,0,0,1|2,0,0]=4 5285 B17R2.5301 Ic1cccc(c1)CNCc2ccccc2 270004a_100000106179_100015611070 [0,1,0,0,0,1|2,0,0]=4 5286 B17R2.5301 Ic1cccc(c1)CNCc2ccccc2 270004a_100015324214_100000014684 [0,1,0,0,0,1|2,0,0]=4 5287 B17R2.5301 Ic1cccc(c1)CNCc2ccccc2 34a_100000106179_100015291786 [0,1,0,0,0,1|2,0,0]=4 5288 B17R2.5301 Ic1cccc(c1)CNCc2ccccc2 34a_100015324214_100011218688 [0,1,0,0,0,1|2,0,0]=4 5289 B17R2.5301 Ic1cccc(c1)COCc2ccccc2 34a_100000210790_100011218688 [0,1,0,0,0,1|1,1,0]=4 5290 B17R2.5301 Ic1cccc(c1)COCc2ccccc2 34a_100011215336_100015291786 [0,1,0,0,0,1|1,1,0]=4 5291 B17R2.5301 Ic1cccc(c1)COCc2ccccc2 7a_100000210790_100011218688 [0,1,0,0,0,1|1,1,0]=4 5292 B17R2.5301 Ic1cccc(c1)COCc2ccccc2 7a_100011215336_100000211182 [0,1,0,0,0,1|1,1,0]=4 5293 B17R2.5301 Ic1cccc(c1)CSCc2ccccc2 62a_100000211182_100011218688 [0,1,0,0,0,1|1,0,0]=3 5294 B17R2.5301 Ic1cccc(c1)CSCc2ccccc2 62a_100011218688_100015291786 [0,1,0,0,0,1|1,0,0]=3 5295 B17R2.5301 Ic1cccc(c1)CSCc2ccccn2 62a_100000721315_100011218688 [0,1,0,0,0,1|2,0,0]=4 5296 B17R2.5301 Ic1cccc(c1)CSCc2ccccn2 62a_100011218688_100000721315 [0,1,0,0,0,1|2,0,0]=4 5297 B17R2.5301 Ic1cccc(c1)CSCc2cccnc2 62a_100000741622_100011218688 [0,1,0,0,0,1|2,0,0]=4 5298 B17R2.5301 Ic1cccc(c1)CSCc2cccnc2 62a_100011218688_100000741622 [0,1,0,0,0,1|2,0,0]=4 5299 B17R2.5301 Ic1cccc(c1)CSCc2ccncc2 62a_100011218688_100015193705 [0,1,0,0,0,1|2,0,0]=4 5300 B17R2.5301 Ic1cccc(c1)CSCc2ccncc2 62a_100015193705_100011218688 [0,1,0,0,0,1|2,0,0]=4 5301 B17R2.5301 Ic1cccc(c1)NCCc2ccccc2 34a_100000211102_100000765856 [0,1,0,0,0,1|2,0,0]=4 5302 B17R2.5301 Ic1cccc(c1)NN=Cc2ccccc2 4a_100020605690_100015611070 [0,1,0,0,0,1|2,0,0]=4 5303 B17R2.5301 Ic1cccc(c1)OCCc2ccccc2 34a_100000211634_100000765856 [0,1,0,0,0,1|1,1,0]=4 5304 B17R2.5301 Ic1cccc(c1)OCCc2ccccc2 7a_100000211634_100000765856 [0,1,0,0,0,1|1,1,0]=4 5305 B17R2.5301 Nc1cc(ccn1)SCCc2ccccc2 62a_100000049665_100011218657 [0,1,0,0,0,1|2,0,0]=4 5306 B17R2.5301 Nc1cc(ccn1)SCCc2ccccc2 62a_100000765856_100000049665 [0,1,0,0,0,1|2,0,0]=4 5307 B17R2.5301 Nc1cc(ccn1)SCSc2ccccc2 62a_100000049665_100011218342 [0,1,0,0,0,1|1,0,0]=3 5308 B17R2.5301 Nc1cc(ccn1)SCSc2ccccc2 62a_100011218342_100000049665 [0,1,0,0,0,1|1,0,0]=3 5309 B17R2.5301 Nc1cc(cnn1)SCSc2ccccc2 62a_100000130277_100011218342 [0,1,0,0,0,1|2,0,0]=4 5310 B17R2.5301 Nc1cc(cnn1)SCSc2ccccc2 62a_100011218342_100000130277 [0,1,0,0,0,1|2,0,0]=4 5311 B17R2.5301 Nc1cc(ncn1)SCSc2ccccc2 62a_100000701291_100011218342 [0,1,0,0,0,1|2,0,0]=4 5312 B17R2.5301 Nc1cc(ncn1)SCSc2ccccc2 62a_100011218342_100000701291 [0,1,0,0,0,1|2,0,0]=4 5313 B17R2.5301 Nc1cccc(c1)C=CCc2ccccc2 271570a_200016263579_100000210019 [0,1,0,0,0,1|2,0,0]=4 5314 B17R2.5301 Nc1cccc(c1)COCc2ccccc2 34a_100000211919_100015291786 [0,1,0,0,0,1|1,1,0]=4 5315 B17R2.5301 Nc1cccc(c1)OCCc2ccccc2 34a_100000210217_100000765856 [0,1,0,0,0,1|1,1,0]=4 5316 B17R2.5301 Nc1cccc(c1)SCCc2ccccc2 62a_100000210019_100011218657 [0,1,0,0,0,1|1,0,0]=3 5317 B17R2.5301 Nc1cccc(c1)SCCc2ccccc2 62a_100000765856_100000210019 [0,1,0,0,0,1|1,0,0]=3 5318 B17R2.5301 Nc1cccc(c1)SCCc2ccccn2 62a_100000210019_100015183660 [0,1,0,0,0,1|2,0,0]=4 5319 B17R2.5301 Nc1cccc(c1)SCCc2ccccn2 62a_100015183660_100000210019 [0,1,0,0,0,1|2,0,0]=4 5320 B17R2.5301 Nc1cccc(c1)SCCc2cccnc2 62a_100000210019_200011713674 [0,1,0,0,0,1|2,0,0]=4 5321 B17R2.5301 Nc1cccc(c1)SCCc2cccnc2 62a_200011713674_100000210019 [0,1,0,0,0,1|2,0,0]=4 5322 B17R2.5301 Nc1cccc(c1)SCCc2ccncc2 62a_100000210019_100000723409 [0,1,0,0,0,1|2,0,0]=4 5323 B17R2.5301 Nc1cccc(c1)SCCc2ccncc2 62a_100000723409_100000210019 [0,1,0,0,0,1|2,0,0]=4 5324 B17R2.5301 Nc1cccc(c1)SCSc2ccccc2 62a_100000210019_100011218342 [0,1,0,0,0,1|0,0,0]=2 5325 B17R2.5301 Nc1cccc(c1)SCSc2ccccc2 62a_100011218342_100000210019 [0,1,0,0,0,1|0,0,0]=2 5326 B17R2.5301 Nc1cccc(n1)SCCc2ccccc2 62a_100000740741_100011218657 [0,1,0,0,0,1|2,0,0]=4 5327 B17R2.5301 Nc1cccc(n1)SCCc2ccccc2 62a_100000765856_100000740741 [0,1,0,0,0,1|2,0,0]=4 5328 B17R2.5301 Nc1cccc(n1)SCSc2ccccc2 62a_100000740741_100011218342 [0,1,0,0,0,1|1,0,0]=3 5329 B17R2.5301 Nc1cccc(n1)SCSc2ccccc2 62a_100011218342_100000740741 [0,1,0,0,0,1|1,0,0]=3 5330 B17R2.5301 Nc1ccnc(c1)SCCc2ccccc2 62a_100000765856_100009814236 [0,1,0,0,0,1|2,0,0]=4 5331 B17R2.5301 Nc1ccnc(c1)SCCc2ccccc2 62a_100009814236_100011218657 [0,1,0,0,0,1|2,0,0]=4 5332 B17R2.5301 Nc1ccnc(c1)SCSc2ccccc2 62a_100009814236_100011218342 [0,1,0,0,0,1|1,0,0]=3 5333 B17R2.5301 Nc1ccnc(c1)SCSc2ccccc2 62a_100011218342_100009814236 [0,1,0,0,0,1|1,0,0]=3 5334 B17R2.5301 Nc1ccnc(n1)SCSc2ccccc2 62a_100000757536_100011218342 [0,1,0,0,0,1|2,0,0]=4 5335 B17R2.5301 Nc1ccnc(n1)SCSc2ccccc2 62a_100011218342_100000757536 [0,1,0,0,0,1|2,0,0]=4 5336 B17R2.5301 Nc1cncc(c1)SCCc2ccccc2 62a_100000687067_100011218657 [0,1,0,0,0,1|2,0,0]=4 5337 B17R2.5301 Nc1cncc(c1)SCCc2ccccc2 62a_100000765856_100000687067 [0,1,0,0,0,1|2,0,0]=4 5338 B17R2.5301 Nc1cncc(c1)SCSc2ccccc2 62a_100000687067_100011218342 [0,1,0,0,0,1|1,0,0]=3 5339 B17R2.5301 Nc1cncc(c1)SCSc2ccccc2 62a_100011218342_100000687067 [0,1,0,0,0,1|1,0,0]=3 5340 B17R2.5301 Nc1cncc(n1)SCSc2ccccc2 62a_100000747728_100011218342 [0,1,0,0,0,1|2,0,0]=4 5341 B17R2.5301 Nc1cncc(n1)SCSc2ccccc2 62a_100011218342_100000747728 [0,1,0,0,0,1|2,0,0]=4 5342 B17R2.5301 Nc1cnnc(c1)SCSc2ccccc2 62a_100011218342_100011996757 [0,1,0,0,0,1|2,0,0]=4 5343 B17R2.5301 Nc1cnnc(c1)SCSc2ccccc2 62a_100011996757_100011218342 [0,1,0,0,0,1|2,0,0]=4 5344 B17R2.5301 Nc1nccc(n1)SCSc2ccccc2 62a_100000055538_100011218342 [0,1,0,0,0,1|2,0,0]=4 5345 B17R2.5301 Nc1nccc(n1)SCSc2ccccc2 62a_100011218342_100000055538 [0,1,0,0,0,1|2,0,0]=4 5346 B17R2.5301 O=c1cc(cc[nH]1)SCCc2ccccc2 62a_100000765856_100009816521 [0,1,0,0,0,1|2,0,0]=4 5347 B17R2.5301 O=c1cc(cc[nH]1)SCCc2ccccc2 62a_100009816521_100011218657 [0,1,0,0,0,1|2,0,0]=4 5348 B17R2.5301 O=c1cc(cc[nH]1)SCSc2ccccc2 62a_100009816521_100011218342 [0,1,0,0,0,1|1,0,0]=3 5349 B17R2.5301 O=c1cc(cc[nH]1)SCSc2ccccc2 62a_100011218342_100009816521 [0,1,0,0,0,1|1,0,0]=3 5350 B17R2.5301 O=c1cc(cn[nH]1)SCSc2ccccc2 62a_100011218342_100010197405 [0,1,0,0,0,1|2,0,0]=4 5351 B17R2.5301 O=c1cc(nc[nH]1)SCSc2ccccc2 62a_100012002517_100011218342 [0,1,0,0,0,1|2,0,0]=4 5352 B17R2.5301 O=c1cc[nH]c(c1)SCCc2ccccc2 62a_100009817434_100011218657 [0,1,0,0,0,1|2,0,0]=4 5353 B17R2.5301 O=c1cc[nH]c(c1)SCSc2ccccc2 62a_100009817434_100011218342 [0,1,0,0,0,1|1,0,0]=3 5354 B17R2.5301 O=c1cccc([nH]1)SCCc2ccccc2 62a_100000765856_100000752884 [0,1,0,0,0,1|2,0,0]=4 5355 B17R2.5301 O=c1cccc([nH]1)SCSc2ccccc2 62a_100011218342_100000752884 [0,1,0,0,0,1|1,0,0]=3 5356 B17R2.5301 O=c1nc(cc[nH]1)SCSc2ccccc2 62a_100011218342_200000134032 [0,1,0,0,0,1|2,0,0]=4 5357 B17R2.5301 Oc1cc(ncn1)SCSc2ccccc2 62a_100011218342_100000765262 [0,1,0,0,0,1|2,0,0]=4 5358 B17R2.5301 Oc1cccc(c1)C=CCc2ccccc2 271570a_200016263579_100000211634 [0,1,0,0,0,1|2,0,0]=4 5359 B17R2.5301 Oc1cccc(c1)C=NNc2ccccc2 4a_100015195140_100000188321 [0,1,0,0,0,1|2,0,0]=4 5360 B17R2.5301 Oc1cccc(c1)CNCc2ccccc2 207a_100000743036_100015611070 [0,1,0,0,0,1|2,0,0]=4 5361 B17R2.5301 Oc1cccc(c1)CNCc2ccccc2 207a_100015324214_100000188321 [0,1,0,0,0,1|2,0,0]=4 5362 B17R2.5301 Oc1cccc(c1)CNCc2ccccc2 2230a_100000743036_100015291786 [0,1,0,0,0,1|2,0,0]=4 5363 B17R2.5301 Oc1cccc(c1)CNCc2ccccc2 2230a_100015324214_100011660834 [0,1,0,0,0,1|2,0,0]=4 5364 B17R2.5301 Oc1cccc(c1)CNCc2ccccc2 270004a_100000743036_100015611070 [0,1,0,0,0,1|2,0,0]=4 5365 B17R2.5301 Oc1cccc(c1)CNCc2ccccc2 270004a_100015324214_100000188321 [0,1,0,0,0,1|2,0,0]=4 5366 B17R2.5301 Oc1cccc(c1)CNCc2ccccc2 34a_100000743036_100015291786 [0,1,0,0,0,1|2,0,0]=4 5367 B17R2.5301 Oc1cccc(c1)CNCc2ccccc2 34a_100015324214_100011660834 [0,1,0,0,0,1|2,0,0]=4 5368 B17R2.5301 Oc1cccc(c1)COCc2ccccc2 34a_100000210790_100011660834 [0,1,0,0,0,1|1,1,0]=4 5369 B17R2.5301 Oc1cccc(c1)COCc2ccccc2 7a_100000210790_100000084143 [0,1,0,0,0,1|1,1,0]=4 5370 B17R2.5301 Oc1cccc(c1)CSCc2ccccc2 62a_100000211182_100011660834 [0,1,0,0,0,1|1,0,0]=3 5371 B17R2.5301 Oc1cccc(c1)CSCc2ccccc2 62a_100011660834_100015291786 [0,1,0,0,0,1|1,0,0]=3 5372 B17R2.5301 Oc1cccc(c1)CSCc2ccccn2 62a_100000721315_100011660834 [0,1,0,0,0,1|2,0,0]=4 5373 B17R2.5301 Oc1cccc(c1)CSCc2ccccn2 62a_100011660834_100000721315 [0,1,0,0,0,1|2,0,0]=4 5374 B17R2.5301 Oc1cccc(c1)CSCc2cccnc2 62a_100000741622_100011660834 [0,1,0,0,0,1|2,0,0]=4 5375 B17R2.5301 Oc1cccc(c1)CSCc2cccnc2 62a_100011660834_100000741622 [0,1,0,0,0,1|2,0,0]=4 5376 B17R2.5301 Oc1cccc(c1)CSCc2ccncc2 62a_100011660834_100015193705 [0,1,0,0,0,1|2,0,0]=4 5377 B17R2.5301 Oc1cccc(c1)CSCc2ccncc2 62a_100015193705_100011660834 [0,1,0,0,0,1|2,0,0]=4 5378 B17R2.5301 Oc1cccc(c1)NCCc2ccccc2 34a_100000210217_100000765856 [0,1,0,0,0,1|2,0,0]=4 5379 B17R2.5301 Oc1cccc(c1)SCCc2ccccc2 62a_100000765856_100000211634 [0,1,0,0,0,1|1,0,0]=3 5380 B17R2.5301 Oc1cccc(c1)SCCc2ccccn2 62a_100015183660_100000211634 [0,1,0,0,0,1|2,0,0]=4 5381 B17R2.5301 Oc1cccc(c1)SCCc2cccnc2 62a_200011713674_100000211634 [0,1,0,0,0,1|2,0,0]=4 5382 B17R2.5301 Oc1cccc(c1)SCCc2ccncc2 62a_100000723409_100000211634 [0,1,0,0,0,1|2,0,0]=4 5383 B17R2.5301 Oc1cccc(c1)SCSc2ccccc2 62a_100011218342_100000211634 [0,1,0,0,0,1|0,0,0]=2 5384 B17R2.5301 Oc1ccnc(c1)SCCc2ccccc2 62a_100000765856_100000762945 [0,1,0,0,0,1|2,0,0]=4 5385 B17R2.5301 Oc1ccnc(c1)SCSc2ccccc2 62a_100011218342_100000762945 [0,1,0,0,0,1|1,0,0]=3 5386 B17R2.5301 Oc1ccnc(n1)SCSc2ccccc2 62a_100011218342_100011649813 [0,1,0,0,0,1|2,0,0]=4 5387 B17R2.5301 Oc1cncc(c1)SCCc2ccccc2 62a_100000754920_100011218657 [0,1,0,0,0,1|2,0,0]=4 5388 B17R2.5301 Oc1cncc(c1)SCCc2ccccc2 62a_100000765856_100000754920 [0,1,0,0,0,1|2,0,0]=4 5389 B17R2.5301 Oc1cncc(c1)SCSc2ccccc2 62a_100000754920_100011218342 [0,1,0,0,0,1|1,0,0]=3 5390 B17R2.5301 Oc1cncc(c1)SCSc2ccccc2 62a_100011218342_100000754920 [0,1,0,0,0,1|1,0,0]=3 5391 B17R2.5301 Oc1cncc(n1)SCSc2ccccc2 62a_100011218342_100011269956 [0,1,0,0,0,1|2,0,0]=4 5392 B17R2.5301 Oc1cnnc(c1)SCSc2ccccc2 62a_100011218342_200010734679 [0,1,0,0,0,1|2,0,0]=4 5393 B17R2.5301 [O-][n+]1cccc(c1)SCCc2ccccc2 62a_100000765856_100009815978 [0,1,0,0,0,1|2,0,0]=4 5394 B17R2.5301 [O-][n+]1cccc(c1)SCSc2ccccc2 62a_100011218342_100009815978 [0,1,0,0,0,1|1,0,0]=3 5395 B17R2.5301 [O-][n+]1ccnc(c1)SCSc2ccccc2 62a_100011218342_100009880115 [0,1,0,0,0,1|2,0,0]=4 5396 B17R2.5301 [S]c1cccc(c1)C=CCc2ccccc2 271570a_200016263579_114929384022 [0,1,0,0,0,1|2,0,0]=4 5397 B17R2.5301 [S]c1cccc(c1)SCCc2ccccc2 62a_100000765856_114929384022 [0,1,0,0,0,1|1,0,0]=3 5398 B17R2.5301 [S]c1cccc(c1)SCCc2ccccc2 62a_114929384022_100011218657 [0,1,0,0,0,1|1,0,0]=3 5399 B17R2.5301 [S]c1cccc(c1)SCCc2ccccn2 62a_100015183660_114929384022 [0,1,0,0,0,1|2,0,0]=4 5400 B17R2.5301 [S]c1cccc(c1)SCCc2ccccn2 62a_114929384022_100015183660 [0,1,0,0,0,1|2,0,0]=4 5401 B17R2.5301 [S]c1cccc(c1)SCCc2cccnc2 62a_114929384022_200011713674 [0,1,0,0,0,1|2,0,0]=4 5402 B17R2.5301 [S]c1cccc(c1)SCCc2cccnc2 62a_200011713674_114929384022 [0,1,0,0,0,1|2,0,0]=4 5403 B17R2.5301 [S]c1cccc(c1)SCCc2ccncc2 62a_100000723409_114929384022 [0,1,0,0,0,1|2,0,0]=4 5404 B17R2.5301 [S]c1cccc(c1)SCCc2ccncc2 62a_114929384022_100000723409 [0,1,0,0,0,1|2,0,0]=4 5405 B17R2.5301 [S]c1cccc(c1)SCSc2ccccc2 62a_100011218342_114929384022 [0,1,0,0,0,1|0,0,0]=2 5406 B17R2.5301 [S]c1cccc(c1)SCSc2ccccc2 62a_114929384022_100011218342 [0,1,0,0,0,1|0,0,0]=2 5407 B17R2.3395 O=c1cccccc1OCc2ccccc2 34a_100000036025_100015291786 [0,1,0,0,0,1|1,1,0]=4 5408 B17R2.3395 O=c1cccccc1OCc2ccccc2 7a_100000036025_100000211182 [0,1,0,0,0,1|1,1,0]=4 5409 B17R2.262 C#Cc1ccccc1NCc2ccccc2 34a_100011470550_100015291786 [0,2,0,0,0,0|2,0,0]=4 5410 B17R2.262 C#Cc1ccccc1OCc2ccccc2 34a_200011470546_100015291786 [0,2,0,0,0,0|1,1,0]=4 5411 B17R2.262 C#Cc1ccccc1OCc2ccccc2 7a_200011470546_100000211182 [0,2,0,0,0,0|1,1,0]=4 5412 B17R2.262 C=Cc1ccccc1C#Cc2ccccc2 271570a_100011290941_100010200916 [0,2,0,0,0,0|2,0,0]=4 5413 B17R2.262 C=Cc1ccccc1CNc2ccccc2 270302a_100000106764_200011996377 [0,2,0,0,0,0|2,0,0]=4 5414 B17R2.262 C=Cc1ccccc1NCc2ccccc2 207a_100012022501_100015611070 [0,2,0,0,0,0|2,0,0]=4 5415 B17R2.262 C=Cc1ccccc1NCc2ccccc2 34a_100012022501_100015291786 [0,2,0,0,0,0|2,0,0]=4 5416 B17R2.262 C=Cc1ccccc1OCc2ccccc2 271570a_100011290941_100000151716 [0,2,0,0,0,0|1,1,0]=4 5417 B17R2.262 C=Cc1ccccc1SCc2ccccc2 62a_100000211182_100011218376 [0,2,0,0,0,0|1,0,0]=3 5418 B17R2.262 C=Cc1ccccc1SCc2ccccc2 62a_100011218376_100015291786 [0,2,0,0,0,0|1,0,0]=3 5419 B17R2.262 C=Cc1ccccc1SCc2ccccn2 62a_100000721315_100011218376 [0,2,0,0,0,0|2,0,0]=4 5420 B17R2.262 C=Cc1ccccc1SCc2ccccn2 62a_100011218376_100000721315 [0,2,0,0,0,0|2,0,0]=4 5421 B17R2.262 C=Cc1ccccc1SCc2cccnc2 62a_100000741622_100011218376 [0,2,0,0,0,0|2,0,0]=4 5422 B17R2.262 C=Cc1ccccc1SCc2cccnc2 62a_100011218376_100000741622 [0,2,0,0,0,0|2,0,0]=4 5423 B17R2.262 C=Cc1ccccc1SCc2ccncc2 62a_100011218376_100015193705 [0,2,0,0,0,0|2,0,0]=4 5424 B17R2.262 C=Cc1ccccc1SCc2ccncc2 62a_100015193705_100011218376 [0,2,0,0,0,0|2,0,0]=4 5425 B17R2.262 CCc1ccccc1C#Cc2ccccc2 271570a_100000069678_100011215823 [0,2,0,0,0,0|2,0,0]=4 5426 B17R2.262 CCc1ccccc1C=Cc2ccccc2 271570a_100102527694_100011215823 [0,2,0,0,0,0|2,0,0]=4 5427 B17R2.262 CCc1ccccc1CNc2ccccc2 207a_100000106764_100011219594 [0,2,0,0,0,0|2,0,0]=4 5428 B17R2.262 CCc1ccccc1CNc2ccccc2 270302a_100000106764_100011219594 [0,2,0,0,0,0|2,0,0]=4 5429 B17R2.262 CCc1ccccc1NCc2ccccc2 207a_100000212081_100015611070 [0,2,0,0,0,0|2,0,0]=4 5430 B17R2.262 CCc1ccccc1NCc2ccccc2 2230a_100000212081_100015291786 [0,2,0,0,0,0|2,0,0]=4 5431 B17R2.262 CCc1ccccc1NCc2ccccc2 270302a_100000212081_100015611070 [0,2,0,0,0,0|2,0,0]=4 5432 B17R2.262 CCc1ccccc1NCc2ccccc2 34a_100000212081_100015291786 [0,2,0,0,0,0|2,0,0]=4 5433 B17R2.262 CCc1ccccc1NCc2ccccc2 7a_100000212081_100000211182 [0,2,0,0,0,0|2,0,0]=4 5434 B17R2.262 CCc1ccccc1OCc2ccccc2 34a_100000210936_100015291786 [0,2,0,0,0,0|1,1,0]=4 5435 B17R2.262 CCc1ccccc1OCc2ccccc2 7a_100000210936_100000211182 [0,2,0,0,0,0|1,1,0]=4 5436 B17R2.262 CCc1ccccc1SCc2ccccc2 62a_100000211182_100011215823 [0,2,0,0,0,0|1,0,0]=3 5437 B17R2.262 CCc1ccccc1SCc2ccccc2 62a_100011215823_100015291786 [0,2,0,0,0,0|1,0,0]=3 5438 B17R2.262 CCc1ccccc1SCc2ccccn2 62a_100000721315_100011215823 [0,2,0,0,0,0|2,0,0]=4 5439 B17R2.262 CCc1ccccc1SCc2ccccn2 62a_100011215823_100000721315 [0,2,0,0,0,0|2,0,0]=4 5440 B17R2.262 CCc1ccccc1SCc2cccnc2 62a_100000741622_100011215823 [0,2,0,0,0,0|2,0,0]=4 5441 B17R2.262 CCc1ccccc1SCc2cccnc2 62a_100011215823_100000741622 [0,2,0,0,0,0|2,0,0]=4 5442 B17R2.262 CCc1ccccc1SCc2ccncc2 62a_100011215823_100015193705 [0,2,0,0,0,0|2,0,0]=4 5443 B17R2.262 CCc1ccccc1SCc2ccncc2 62a_100015193705_100011215823 [0,2,0,0,0,0|2,0,0]=4 5444 B17R2.262 CCc1ccncc1SCc2ccccc2 62a_100000211182_100009819861 [0,2,0,0,0,0|2,0,0]=4 5445 B17R2.262 CCc1ccncc1SCc2ccccc2 62a_100009819861_100015291786 [0,2,0,0,0,0|2,0,0]=4 5446 B17R2.262 CCc1cnccc1SCc2ccccc2 62a_100000211182_100025704421 [0,2,0,0,0,0|2,0,0]=4 5447 B17R2.262 CCc1cnccc1SCc2ccccc2 62a_100025704421_100015291786 [0,2,0,0,0,0|2,0,0]=4 5448 B17R2.262 CCc1ncccc1SCc2ccccc2 62a_100000211182_100009877225 [0,2,0,0,0,0|2,0,0]=4 5449 B17R2.262 CCc1ncccc1SCc2ccccc2 62a_100009877225_100015291786 [0,2,0,0,0,0|2,0,0]=4 5450 B17R2.262 CNc1ccccc1C#Cc2ccccc2 2230a_100000044502_200000210301 [0,2,0,0,0,0|2,0,0]=4 5451 B17R2.262 CNc1ccccc1C#Cc2ccccc2 271570a_100000069678_100020606079 [0,2,0,0,0,0|2,0,0]=4 5452 B17R2.262 CNc1ccccc1C#Cc2ccccc2 34a_100000044502_200000210301 [0,2,0,0,0,0|2,0,0]=4 5453 B17R2.262 CNc1ccccc1C=Cc2ccccc2 271570a_100102527694_100020606079 [0,2,0,0,0,0|2,0,0]=4 5454 B17R2.262 CNc1ccccc1COc2ccccc2 2230a_100000742786_200000210301 [0,2,0,0,0,0|1,1,0]=4 5455 B17R2.262 CNc1ccccc1COc2ccccc2 34a_100000742786_200000210301 [0,2,0,0,0,0|1,1,0]=4 5456 B17R2.262 CNc1ccccc1COc2ccccc2 7a_100000742786_200000210301 [0,2,0,0,0,0|1,1,0]=4 5457 B17R2.262 CNc1ccccc1OCc2ccccc2 34a_100000033821_100015291786 [0,2,0,0,0,0|1,1,0]=4 5458 B17R2.262 CNc1ccccc1OCc2ccccc2 34a_100011193923_200000210301 [0,2,0,0,0,0|1,1,0]=4 5459 B17R2.262 CNc1ccccc1SCc2ccccc2 34a_100000198535_200000210301 [0,2,0,0,0,0|1,0,0]=3 5460 B17R2.262 CNc1ccccc1SCc2ccccc2 62a_100000211182_100020606079 [0,2,0,0,0,0|1,0,0]=3 5461 B17R2.262 CNc1ccccc1SCc2ccccc2 62a_100020606079_100015291786 [0,2,0,0,0,0|1,0,0]=3 5462 B17R2.262 CNc1ccccc1SCc2ccccc2 7a_100000198535_200000210301 [0,2,0,0,0,0|1,0,0]=3 5463 B17R2.262 CNc1ccccc1SCc2ccccn2 62a_100000721315_100020606079 [0,2,0,0,0,0|2,0,0]=4 5464 B17R2.262 CNc1ccccc1SCc2ccccn2 62a_100020606079_100000721315 [0,2,0,0,0,0|2,0,0]=4 5465 B17R2.262 CNc1ccccc1SCc2cccnc2 62a_100000741622_100020606079 [0,2,0,0,0,0|2,0,0]=4 5466 B17R2.262 CNc1ccccc1SCc2cccnc2 62a_100020606079_100000741622 [0,2,0,0,0,0|2,0,0]=4 5467 B17R2.262 CNc1ccccc1SCc2ccncc2 62a_100015193705_100020606079 [0,2,0,0,0,0|2,0,0]=4 5468 B17R2.262 CNc1ccccc1SCc2ccncc2 62a_100020606079_100015193705 [0,2,0,0,0,0|2,0,0]=4 5469 B17R2.262 CNc1cccnc1SCc2ccccc2 62a_100000211182_200011806188 [0,2,0,0,0,0|2,0,0]=4 5470 B17R2.262 CNc1ccncc1SCc2ccccc2 62a_100000211182_100010069531 [0,2,0,0,0,0|2,0,0]=4 5471 B17R2.262 CNc1ccncc1SCc2ccccc2 62a_100010069531_100015291786 [0,2,0,0,0,0|2,0,0]=4 5472 B17R2.262 CNc1ncccc1SCc2ccccc2 62a_100000211182_100000700899 [0,2,0,0,0,0|2,0,0]=4 5473 B17R2.262 CNc1ncccc1SCc2ccccc2 62a_100000700899_100015291786 [0,2,0,0,0,0|2,0,0]=4 5474 B17R2.262 COc1ccccc1C#Cc2ccccc2 271570a_100000069678_100000174000 [0,2,0,0,0,0|2,0,0]=4 5475 B17R2.262 COc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000174000 [0,2,0,0,0,0|2,0,0]=4 5476 B17R2.262 COc1ccccc1CNc2ccccc2 207a_100000106764_100000169842 [0,2,0,0,0,0|2,0,0]=4 5477 B17R2.262 COc1ccccc1CNc2ccccc2 270302a_100000106764_100000169842 [0,2,0,0,0,0|2,0,0]=4 5478 B17R2.262 COc1ccccc1CNc2ccccc2 34a_100000106764_100000210004 [0,2,0,0,0,0|2,0,0]=4 5479 B17R2.262 COc1ccccc1COc2ccccc2 34a_100000210340_100000210004 [0,2,0,0,0,0|1,1,0]=4 5480 B17R2.262 COc1ccccc1COc2ccccc2 7a_100000210340_100000210004 [0,2,0,0,0,0|1,1,0]=4 5481 B17R2.262 COc1ccccc1CSc2ccccc2 62a_100000210004_100000041952 [0,2,0,0,0,0|1,0,0]=3 5482 B17R2.262 COc1ccccc1CSc2ccccc2 62a_100000719477_100000210004 [0,2,0,0,0,0|1,0,0]=3 5483 B17R2.262 COc1ccccc1CSc2ccccn2 62a_100000210004_100011216584 [0,2,0,0,0,0|2,0,0]=4 5484 B17R2.262 COc1ccccc1CSc2ccccn2 62a_100011216584_100000210004 [0,2,0,0,0,0|2,0,0]=4 5485 B17R2.262 COc1ccccc1CSc2cccnc2 62a_100000210004_100000210063 [0,2,0,0,0,0|2,0,0]=4 5486 B17R2.262 COc1ccccc1CSc2cccnc2 62a_100000210063_100000210004 [0,2,0,0,0,0|2,0,0]=4 5487 B17R2.262 COc1ccccc1CSc2ccncc2 62a_100000210004_100000728582 [0,2,0,0,0,0|2,0,0]=4 5488 B17R2.262 COc1ccccc1CSc2ccncc2 62a_100000728582_100000210004 [0,2,0,0,0,0|2,0,0]=4 5489 B17R2.262 COc1ccccc1NCc2ccccc2 207a_100000210025_100015611070 [0,2,0,0,0,0|2,0,0]=4 5490 B17R2.262 COc1ccccc1NCc2ccccc2 270302a_100000210025_100015611070 [0,2,0,0,0,0|2,0,0]=4 5491 B17R2.262 COc1ccccc1NCc2ccccc2 34a_100000210025_100015291786 [0,2,0,0,0,0|2,0,0]=4 5492 B17R2.262 COc1ccccc1OCc2ccccc2 34a_100000187230_200000210301 [0,2,0,0,0,0|1,1,0]=4 5493 B17R2.262 COc1ccccc1OCc2ccccc2 34a_100000210385_100015291786 [0,2,0,0,0,0|1,1,0]=4 5494 B17R2.262 COc1ccccc1OCc2ccccc2 7a_100000187230_200000210301 [0,2,0,0,0,0|1,1,0]=4 5495 B17R2.262 COc1ccccc1SCc2ccccc2 62a_100000210334_100015291786 [0,2,0,0,0,0|1,0,0]=3 5496 B17R2.262 COc1ccccc1SCc2ccccc2 62a_100000211182_100000210334 [0,2,0,0,0,0|1,0,0]=3 5497 B17R2.262 COc1ccccc1SCc2ccccn2 62a_100000210334_100000721315 [0,2,0,0,0,0|2,0,0]=4 5498 B17R2.262 COc1ccccc1SCc2ccccn2 62a_100000721315_100000210334 [0,2,0,0,0,0|2,0,0]=4 5499 B17R2.262 COc1ccccc1SCc2cccnc2 62a_100000210334_100000741622 [0,2,0,0,0,0|2,0,0]=4 5500 B17R2.262 COc1ccccc1SCc2cccnc2 62a_100000741622_100000210334 [0,2,0,0,0,0|2,0,0]=4 5501 B17R2.262 COc1ccccc1SCc2ccncc2 62a_100000210334_100015193705 [0,2,0,0,0,0|2,0,0]=4 5502 B17R2.262 COc1ccccc1SCc2ccncc2 62a_100015193705_100000210334 [0,2,0,0,0,0|2,0,0]=4 5503 B17R2.262 COc1cccnc1SCc2ccccc2 62a_100000211182_100000690851 [0,2,0,0,0,0|2,0,0]=4 5504 B17R2.262 COc1cccnc1SCc2ccccc2 62a_100000767102_100015291786 [0,2,0,0,0,0|2,0,0]=4 5505 B17R2.262 COc1ccncc1SCc2ccccc2 62a_100000211182_100011997281 [0,2,0,0,0,0|2,0,0]=4 5506 B17R2.262 COc1ccncc1SCc2ccccc2 62a_100011997281_100015291786 [0,2,0,0,0,0|2,0,0]=4 5507 B17R2.262 COc1cnccc1CSc2ccccc2 62a_100000719477_100020635607 [0,2,0,0,0,0|2,0,0]=4 5508 B17R2.262 COc1cnccc1CSc2ccccc2 62a_100020635607_100000041952 [0,2,0,0,0,0|2,0,0]=4 5509 B17R2.262 COc1cnccc1SCc2ccccc2 62a_100000211182_100016988167 [0,2,0,0,0,0|2,0,0]=4 5510 B17R2.262 COc1cnccc1SCc2ccccc2 62a_100016988167_100015291786 [0,2,0,0,0,0|2,0,0]=4 5511 B17R2.262 COc1ncccc1CSc2ccccc2 62a_100000719477_100020631285 [0,2,0,0,0,0|2,0,0]=4 5512 B17R2.262 COc1ncccc1CSc2ccccc2 62a_100020631285_100000041952 [0,2,0,0,0,0|2,0,0]=4 5513 B17R2.262 COc1ncccc1SCc2ccccc2 62a_100000047025_100015291786 [0,2,0,0,0,0|2,0,0]=4 5514 B17R2.262 COc1ncccc1SCc2ccccc2 62a_100000211182_100000047025 [0,2,0,0,0,0|2,0,0]=4 5515 B17R2.262 CSc1ccccc1C#Cc2ccccc2 271570a_100000069678_100011217816 [0,2,0,0,0,0|2,0,0]=4 5516 B17R2.262 CSc1ccccc1C#Cc2ccccc2 62a_200000210301_100010200916 [0,2,0,0,0,0|2,0,0]=4 5517 B17R2.262 CSc1ccccc1C=Cc2ccccc2 271570a_100102527694_100011217816 [0,2,0,0,0,0|2,0,0]=4 5518 B17R2.262 CSc1ccccc1CNc2ccccc2 207a_100000106764_100011217347 [0,2,0,0,0,0|2,0,0]=4 5519 B17R2.262 CSc1ccccc1CNc2ccccc2 34a_100000106764_100000699184 [0,2,0,0,0,0|2,0,0]=4 5520 B17R2.262 CSc1ccccc1COc2ccccc2 34a_100000210340_100000699184 [0,2,0,0,0,0|1,1,0]=4 5521 B17R2.262 CSc1ccccc1COc2ccccc2 7a_100000210340_100000699184 [0,2,0,0,0,0|1,1,0]=4 5522 B17R2.262 CSc1ccccc1CSc2ccccc2 62a_100000699184_100000041952 [0,2,0,0,0,0|1,0,0]=3 5523 B17R2.262 CSc1ccccc1CSc2ccccc2 62a_100000719477_100000699184 [0,2,0,0,0,0|1,0,0]=3 5524 B17R2.262 CSc1ccccc1CSc2ccccn2 62a_100000699184_100011216584 [0,2,0,0,0,0|2,0,0]=4 5525 B17R2.262 CSc1ccccc1CSc2ccccn2 62a_100011216584_100000699184 [0,2,0,0,0,0|2,0,0]=4 5526 B17R2.262 CSc1ccccc1CSc2cccnc2 62a_100000210063_100000699184 [0,2,0,0,0,0|2,0,0]=4 5527 B17R2.262 CSc1ccccc1CSc2cccnc2 62a_100000699184_100000210063 [0,2,0,0,0,0|2,0,0]=4 5528 B17R2.262 CSc1ccccc1CSc2ccncc2 62a_100000699184_100000728582 [0,2,0,0,0,0|2,0,0]=4 5529 B17R2.262 CSc1ccccc1CSc2ccncc2 62a_100000728582_100000699184 [0,2,0,0,0,0|2,0,0]=4 5530 B17R2.262 CSc1ccccc1NCc2ccccc2 207a_100000211160_100015611070 [0,2,0,0,0,0|2,0,0]=4 5531 B17R2.262 CSc1ccccc1NCc2ccccc2 270302a_100000211160_100015611070 [0,2,0,0,0,0|2,0,0]=4 5532 B17R2.262 CSc1ccccc1NCc2ccccc2 34a_100000211160_100015291786 [0,2,0,0,0,0|2,0,0]=4 5533 B17R2.262 CSc1ccccc1OCc2ccccc2 34a_100011216402_100015291786 [0,2,0,0,0,0|1,1,0]=4 5534 B17R2.262 CSc1ccccc1OCc2ccccc2 62a_100000151716_200000210301 [0,2,0,0,0,0|1,1,0]=4 5535 B17R2.262 CSc1ccccc1OCc2ccccc2 62a_200000210301_100000151716 [0,2,0,0,0,0|1,1,0]=4 5536 B17R2.262 CSc1ccccc1SCc2ccccc2 62a_100000211182_100011217816 [0,2,0,0,0,0|1,0,0]=3 5537 B17R2.262 CSc1ccccc1SCc2ccccc2 62a_100011217816_100015291786 [0,2,0,0,0,0|1,0,0]=3 5538 B17R2.262 CSc1ccccc1SCc2ccccn2 62a_100000721315_100011217816 [0,2,0,0,0,0|2,0,0]=4 5539 B17R2.262 CSc1ccccc1SCc2ccccn2 62a_100011217816_100000721315 [0,2,0,0,0,0|2,0,0]=4 5540 B17R2.262 CSc1ccccc1SCc2cccnc2 62a_100000741622_100011217816 [0,2,0,0,0,0|2,0,0]=4 5541 B17R2.262 CSc1ccccc1SCc2cccnc2 62a_100011217816_100000741622 [0,2,0,0,0,0|2,0,0]=4 5542 B17R2.262 CSc1ccccc1SCc2ccncc2 62a_100011217816_100015193705 [0,2,0,0,0,0|2,0,0]=4 5543 B17R2.262 CSc1ccccc1SCc2ccncc2 62a_100015193705_100011217816 [0,2,0,0,0,0|2,0,0]=4 5544 B17R2.262 CSc1ncccc1SCc2ccccc2 62a_100000211182_100011465278 [0,2,0,0,0,0|2,0,0]=4 5545 B17R2.262 CSc1ncccc1SCc2ccccc2 62a_100011465278_100015291786 [0,2,0,0,0,0|2,0,0]=4 5546 B17R2.262 N#Cc1ccccc1C#Cc2ccccc2 271570a_100000069678_100000188569 [0,2,0,0,0,0|2,0,0]=4 5547 B17R2.262 N#Cc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000188569 [0,2,0,0,0,0|2,0,0]=4 5548 B17R2.262 N#Cc1ccccc1CNc2ccccc2 34a_100000106764_100000181865 [0,2,0,0,0,0|2,0,0]=4 5549 B17R2.262 N#Cc1ccccc1COc2ccccc2 34a_100000210340_100000181865 [0,2,0,0,0,0|1,1,0]=4 5550 B17R2.262 N#Cc1ccccc1COc2ccccc2 7a_100000210340_100000181865 [0,2,0,0,0,0|1,1,0]=4 5551 B17R2.262 N#Cc1ccccc1CSc2ccccc2 62a_100000186380_100000041952 [0,2,0,0,0,0|1,0,0]=3 5552 B17R2.262 N#Cc1ccccc1CSc2ccccc2 62a_100000719477_100000181865 [0,2,0,0,0,0|1,0,0]=3 5553 B17R2.262 N#Cc1ccccc1CSc2ccccn2 62a_100000186380_100011216584 [0,2,0,0,0,0|2,0,0]=4 5554 B17R2.262 N#Cc1ccccc1CSc2ccccn2 62a_100011216584_100000181865 [0,2,0,0,0,0|2,0,0]=4 5555 B17R2.262 N#Cc1ccccc1CSc2cccnc2 62a_100000186380_100000210063 [0,2,0,0,0,0|2,0,0]=4 5556 B17R2.262 N#Cc1ccccc1CSc2cccnc2 62a_100000210063_100000181865 [0,2,0,0,0,0|2,0,0]=4 5557 B17R2.262 N#Cc1ccccc1CSc2ccncc2 62a_100000186380_100000728582 [0,2,0,0,0,0|2,0,0]=4 5558 B17R2.262 N#Cc1ccccc1CSc2ccncc2 62a_100000728582_100000181865 [0,2,0,0,0,0|2,0,0]=4 5559 B17R2.262 N#Cc1ccccc1NCc2ccccc2 270302a_100000211148_100015611070 [0,2,0,0,0,0|2,0,0]=4 5560 B17R2.262 N#Cc1ccccc1NCc2ccccc2 34a_100000211148_100015291786 [0,2,0,0,0,0|2,0,0]=4 5561 B17R2.262 N#Cc1ccccc1OCc2ccccc2 34a_100000211048_100015291786 [0,2,0,0,0,0|1,1,0]=4 5562 B17R2.262 N#Cc1ccccc1OCc2ccccc2 7a_100000211048_100000211182 [0,2,0,0,0,0|1,1,0]=4 5563 B17R2.262 N#Cc1ccccc1SCc2ccccc2 62a_100000211182_100000188569 [0,2,0,0,0,0|1,0,0]=3 5564 B17R2.262 N#Cc1ccccc1SCc2ccccn2 62a_100000721315_100000188569 [0,2,0,0,0,0|2,0,0]=4 5565 B17R2.262 N#Cc1ccccc1SCc2cccnc2 62a_100000741622_100000188569 [0,2,0,0,0,0|2,0,0]=4 5566 B17R2.262 N#Cc1ccccc1SCc2ccncc2 62a_100015193705_100000188569 [0,2,0,0,0,0|2,0,0]=4 5567 B17R2.262 N#Cc1cccnc1CSc2ccccc2 62a_100000719477_100000099805 [0,2,0,0,0,0|2,0,0]=4 5568 B17R2.262 N#Cc1cccnc1SCc2ccccc2 62a_100000211182_100000211984 [0,2,0,0,0,0|2,0,0]=4 5569 B17R2.262 N#Cc1ccncc1SCc2ccccc2 62a_100000211182_100000684818 [0,2,0,0,0,0|2,0,0]=4 5570 B17R2.262 N#Cc1cnccc1SCc2ccccc2 62a_100000211182_100000687039 [0,2,0,0,0,0|2,0,0]=4 5571 B17R2.262 N#Cc1ncccc1CSc2ccccc2 62a_100000719477_100011768898 [0,2,0,0,0,0|2,0,0]=4 5572 B17R2.262 N#Cc1ncccc1SCc2ccccc2 62a_100000211182_100000685805 [0,2,0,0,0,0|2,0,0]=4 5573 B17R2.262 NCc1ccccc1C#Cc2ccccc2 271570a_100000069678_100000689332 [0,2,0,0,0,0|2,0,0]=4 5574 B17R2.262 NCc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000689332 [0,2,0,0,0,0|2,0,0]=4 5575 B17R2.262 NCc1ccccc1OCc2ccccc2 34a_100000185550_100015291786 [0,2,0,0,0,0|1,1,0]=4 5576 B17R2.262 NCc1ccccc1SCc2ccccc2 62a_100000211182_100000689332 [0,2,0,0,0,0|1,0,0]=3 5577 B17R2.262 NCc1ccccc1SCc2ccccc2 62a_100000689332_100015291786 [0,2,0,0,0,0|1,0,0]=3 5578 B17R2.262 NCc1ccccc1SCc2ccccn2 62a_100000689332_100000721315 [0,2,0,0,0,0|2,0,0]=4 5579 B17R2.262 NCc1ccccc1SCc2ccccn2 62a_100000721315_100000689332 [0,2,0,0,0,0|2,0,0]=4 5580 B17R2.262 NCc1ccccc1SCc2cccnc2 62a_100000689332_100000741622 [0,2,0,0,0,0|2,0,0]=4 5581 B17R2.262 NCc1ccccc1SCc2cccnc2 62a_100000741622_100000689332 [0,2,0,0,0,0|2,0,0]=4 5582 B17R2.262 NCc1ccccc1SCc2ccncc2 62a_100000689332_100015193705 [0,2,0,0,0,0|2,0,0]=4 5583 B17R2.262 NCc1ccccc1SCc2ccncc2 62a_100015193705_100000689332 [0,2,0,0,0,0|2,0,0]=4 5584 B17R2.262 NCc1cccnc1SCc2ccccc2 62a_100000211182_100015189234 [0,2,0,0,0,0|2,0,0]=4 5585 B17R2.262 NCc1cccnc1SCc2ccccc2 62a_100015189234_100015291786 [0,2,0,0,0,0|2,0,0]=4 5586 B17R2.262 NCc1ccncc1SCc2ccccc2 62a_100000211182_100020640021 [0,2,0,0,0,0|2,0,0]=4 5587 B17R2.262 NCc1ccncc1SCc2ccccc2 62a_100020640021_100015291786 [0,2,0,0,0,0|2,0,0]=4 5588 B17R2.262 NCc1ncccc1SCc2ccccc2 62a_100000211182_100020591323 [0,2,0,0,0,0|2,0,0]=4 5589 B17R2.262 NCc1ncccc1SCc2ccccc2 62a_100020591323_100015291786 [0,2,0,0,0,0|2,0,0]=4 5590 B17R2.262 NNc1ccccc1C#Cc2ccccc2 271570a_100000069678_100000241748 [0,2,0,0,0,0|2,0,0]=4 5591 B17R2.262 NNc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000241748 [0,2,0,0,0,0|2,0,0]=4 5592 B17R2.262 NNc1ccccc1SCc2ccccc2 62a_100000211182_100000241748 [0,2,0,0,0,0|1,0,0]=3 5593 B17R2.262 NNc1ccccc1SCc2ccccc2 62a_100000241748_100015291786 [0,2,0,0,0,0|1,0,0]=3 5594 B17R2.262 NNc1ccccc1SCc2ccccn2 62a_100000241748_100000721315 [0,2,0,0,0,0|2,0,0]=4 5595 B17R2.262 NNc1ccccc1SCc2ccccn2 62a_100000721315_100000241748 [0,2,0,0,0,0|2,0,0]=4 5596 B17R2.262 NNc1ccccc1SCc2cccnc2 62a_100000241748_100000741622 [0,2,0,0,0,0|2,0,0]=4 5597 B17R2.262 NNc1ccccc1SCc2cccnc2 62a_100000741622_100000241748 [0,2,0,0,0,0|2,0,0]=4 5598 B17R2.262 NNc1ccccc1SCc2ccncc2 62a_100000241748_100015193705 [0,2,0,0,0,0|2,0,0]=4 5599 B17R2.262 NNc1ccccc1SCc2ccncc2 62a_100015193705_100000241748 [0,2,0,0,0,0|2,0,0]=4 5600 B17R2.262 NNc1ccncc1SCc2ccccc2 62a_100000211182_100013404636 [0,2,0,0,0,0|2,0,0]=4 5601 B17R2.262 NNc1ccncc1SCc2ccccc2 62a_100013404636_100015291786 [0,2,0,0,0,0|2,0,0]=4 5602 B17R2.262 NNc1ncccc1SCc2ccccc2 62a_100000211182_100011464834 [0,2,0,0,0,0|2,0,0]=4 5603 B17R2.262 NNc1ncccc1SCc2ccccc2 62a_100011464834_100015291786 [0,2,0,0,0,0|2,0,0]=4 5604 B17R2.262 O=Cc1ccccc1C#Cc2ccccc2 271570a_100000069678_100000211189 [0,2,0,0,0,0|2,0,0]=4 5605 B17R2.262 O=Cc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000211189 [0,2,0,0,0,0|2,0,0]=4 5606 B17R2.262 O=Cc1ccccc1CNc2ccccc2 34a_100000106764_200009853537 [0,2,0,0,0,0|2,0,0]=4 5607 B17R2.262 O=Cc1ccccc1COc2ccccc2 34a_100000210340_200009853537 [0,2,0,0,0,0|1,1,0]=4 5608 B17R2.262 O=Cc1ccccc1COc2ccccc2 7a_100000210340_200009853537 [0,2,0,0,0,0|1,1,0]=4 5609 B17R2.262 O=Cc1ccccc1CSc2ccccc2 62a_100000719477_200009853537 [0,2,0,0,0,0|1,0,0]=3 5610 B17R2.262 O=Cc1ccccc1CSc2ccccc2 62a_200009853537_100000041952 [0,2,0,0,0,0|1,0,0]=3 5611 B17R2.262 O=Cc1ccccc1CSc2ccccn2 62a_100011216584_200009853537 [0,2,0,0,0,0|2,0,0]=4 5612 B17R2.262 O=Cc1ccccc1CSc2ccccn2 62a_200009853537_100011216584 [0,2,0,0,0,0|2,0,0]=4 5613 B17R2.262 O=Cc1ccccc1CSc2cccnc2 62a_100000210063_200009853537 [0,2,0,0,0,0|2,0,0]=4 5614 B17R2.262 O=Cc1ccccc1CSc2cccnc2 62a_200009853537_100000210063 [0,2,0,0,0,0|2,0,0]=4 5615 B17R2.262 O=Cc1ccccc1CSc2ccncc2 62a_100000728582_200009853537 [0,2,0,0,0,0|2,0,0]=4 5616 B17R2.262 O=Cc1ccccc1CSc2ccncc2 62a_200009853537_100000728582 [0,2,0,0,0,0|2,0,0]=4 5617 B17R2.262 O=Cc1ccccc1SCc2ccccc2 62a_100000210073_100015291786 [0,2,0,0,0,0|1,0,0]=3 5618 B17R2.262 O=Cc1ccccc1SCc2ccccc2 62a_100000211182_100000210073 [0,2,0,0,0,0|1,0,0]=3 5619 B17R2.262 O=Cc1ccccc1SCc2ccccn2 62a_100000210073_100000721315 [0,2,0,0,0,0|2,0,0]=4 5620 B17R2.262 O=Cc1ccccc1SCc2ccccn2 62a_100000721315_100000210073 [0,2,0,0,0,0|2,0,0]=4 5621 B17R2.262 O=Cc1ccccc1SCc2cccnc2 62a_100000210073_100000741622 [0,2,0,0,0,0|2,0,0]=4 5622 B17R2.262 O=Cc1ccccc1SCc2cccnc2 62a_100000741622_100000210073 [0,2,0,0,0,0|2,0,0]=4 5623 B17R2.262 O=Cc1ccccc1SCc2ccncc2 62a_100000210073_100015193705 [0,2,0,0,0,0|2,0,0]=4 5624 B17R2.262 O=Cc1ccccc1SCc2ccncc2 62a_100015193705_100000210073 [0,2,0,0,0,0|2,0,0]=4 5625 B17R2.262 O=Cc1cccnc1SCc2ccccc2 62a_100000211182_100009816751 [0,2,0,0,0,0|2,0,0]=4 5626 B17R2.262 O=Cc1cccnc1SCc2ccccc2 62a_100009816751_100015291786 [0,2,0,0,0,0|2,0,0]=4 5627 B17R2.262 O=Cc1ccncc1SCc2ccccc2 62a_100000211182_100011934409 [0,2,0,0,0,0|2,0,0]=4 5628 B17R2.262 O=Cc1ccncc1SCc2ccccc2 62a_100011934409_100015291786 [0,2,0,0,0,0|2,0,0]=4 5629 B17R2.262 O=Cc1cnccc1SCc2ccccc2 62a_100000050567_100015291786 [0,2,0,0,0,0|2,0,0]=4 5630 B17R2.262 O=Cc1cnccc1SCc2ccccc2 62a_100000211182_100000050567 [0,2,0,0,0,0|2,0,0]=4 5631 B17R2.262 O=Cc1ncccc1SCc2ccccc2 62a_100000211182_100011934733 [0,2,0,0,0,0|2,0,0]=4 5632 B17R2.262 O=Cc1ncccc1SCc2ccccc2 62a_100011934733_100015291786 [0,2,0,0,0,0|2,0,0]=4 5633 B17R2.262 OCc1ccccc1C#Cc2ccccc2 271570a_100000069678_100000187465 [0,2,0,0,0,0|2,0,0]=4 5634 B17R2.262 OCc1ccccc1C=Cc2ccccc2 271570a_100102527694_100000187465 [0,2,0,0,0,0|2,0,0]=4 5635 B17R2.262 OCc1ccccc1CNc2ccccc2 34a_100000106764_100009816955 [0,2,0,0,0,0|2,0,0]=4 5636 B17R2.262 OCc1ccccc1COc2ccccc2 34a_100000210340_100009816955 [0,2,0,0,0,0|1,1,0]=4 5637 B17R2.262 OCc1ccccc1COc2ccccc2 7a_100000210340_100009816955 [0,2,0,0,0,0|1,1,0]=4 5638 B17R2.262 OCc1ccccc1CSc2ccccc2 62a_100000719477_100009816955 [0,2,0,0,0,0|1,0,0]=3 5639 B17R2.262 OCc1ccccc1CSc2ccccc2 62a_100009816955_100000041952 [0,2,0,0,0,0|1,0,0]=3 5640 B17R2.262 OCc1ccccc1CSc2ccccn2 62a_100009816955_100011216584 [0,2,0,0,0,0|2,0,0]=4 5641 B17R2.262 OCc1ccccc1CSc2ccccn2 62a_100011216584_100009816955 [0,2,0,0,0,0|2,0,0]=4 5642 B17R2.262 OCc1ccccc1CSc2cccnc2 62a_100000210063_100009816955 [0,2,0,0,0,0|2,0,0]=4 5643 B17R2.262 OCc1ccccc1CSc2cccnc2 62a_100009816955_100000210063 [0,2,0,0,0,0|2,0,0]=4 5644 B17R2.262 OCc1ccccc1CSc2ccncc2 62a_100000728582_100009816955 [0,2,0,0,0,0|2,0,0]=4 5645 B17R2.262 OCc1ccccc1CSc2ccncc2 62a_100009816955_100000728582 [0,2,0,0,0,0|2,0,0]=4 5646 B17R2.262 OCc1ccccc1NCc2ccccc2 207a_100000212039_100015611070 [0,2,0,0,0,0|2,0,0]=4 5647 B17R2.262 OCc1ccccc1NCc2ccccc2 270302a_100000212039_100015611070 [0,2,0,0,0,0|2,0,0]=4 5648 B17R2.262 OCc1ccccc1NCc2ccccc2 34a_100000212039_100015291786 [0,2,0,0,0,0|2,0,0]=4 5649 B17R2.262 OCc1ccccc1OCc2ccccc2 34a_100011216872_100015291786 [0,2,0,0,0,0|1,1,0]=4 5650 B17R2.262 OCc1ccccc1SCc2ccccc2 62a_100000187465_100015291786 [0,2,0,0,0,0|1,0,0]=3 5651 B17R2.262 OCc1ccccc1SCc2ccccc2 62a_100000211182_100000187465 [0,2,0,0,0,0|1,0,0]=3 5652 B17R2.262 OCc1ccccc1SCc2ccccn2 62a_100000187465_100000721315 [0,2,0,0,0,0|2,0,0]=4 5653 B17R2.262 OCc1ccccc1SCc2ccccn2 62a_100000721315_100000187465 [0,2,0,0,0,0|2,0,0]=4 5654 B17R2.262 OCc1ccccc1SCc2cccnc2 62a_100000187465_100000741622 [0,2,0,0,0,0|2,0,0]=4 5655 B17R2.262 OCc1ccccc1SCc2cccnc2 62a_100000741622_100000187465 [0,2,0,0,0,0|2,0,0]=4 5656 B17R2.262 OCc1ccccc1SCc2ccncc2 62a_100000187465_100015193705 [0,2,0,0,0,0|2,0,0]=4 5657 B17R2.262 OCc1ccccc1SCc2ccncc2 62a_100015193705_100000187465 [0,2,0,0,0,0|2,0,0]=4 5658 B17R2.262 OCc1cccnc1SCc2ccccc2 62a_100000211182_100000748726 [0,2,0,0,0,0|2,0,0]=4 5659 B17R2.262 OCc1cccnc1SCc2ccccc2 62a_100000748726_100015291786 [0,2,0,0,0,0|2,0,0]=4 5660 B17R2.262 OCc1ccncc1SCc2ccccc2 62a_100000211182_100009873359 [0,2,0,0,0,0|2,0,0]=4 5661 B17R2.262 OCc1ccncc1SCc2ccccc2 62a_100009873359_100015291786 [0,2,0,0,0,0|2,0,0]=4 5662 B17R2.262 OCc1cnccc1SCc2ccccc2 62a_100000117392_100015291786 [0,2,0,0,0,0|2,0,0]=4 5663 B17R2.262 OCc1cnccc1SCc2ccccc2 62a_100000211182_100000117392 [0,2,0,0,0,0|2,0,0]=4 5664 B17R2.262 OCc1ncccc1SCc2ccccc2 62a_100000211182_100011996772 [0,2,0,0,0,0|2,0,0]=4 5665 B17R2.262 OCc1ncccc1SCc2ccccc2 62a_100011996772_100015291786 [0,2,0,0,0,0|2,0,0]=4 5666 B17R2.262 [13CH3]Nc1ccccc1C#Cc2ccccc2 2230a_100000044502_200025704644 [0,2,0,0,0,0|2,0,0]=4 5667 B17R2.262 [13CH3]Nc1ccccc1C#Cc2ccccc2 34a_100000044502_200025704644 [0,2,0,0,0,0|2,0,0]=4 5668 B17R2.262 [13CH3]Nc1ccccc1COc2ccccc2 2230a_100000742786_200025704644 [0,2,0,0,0,0|1,1,0]=4 5669 B17R2.262 [13CH3]Nc1ccccc1COc2ccccc2 34a_100000742786_200025704644 [0,2,0,0,0,0|1,1,0]=4 5670 B17R2.262 [13CH3]Nc1ccccc1COc2ccccc2 7a_100000742786_200025704644 [0,2,0,0,0,0|1,1,0]=4 5671 B17R2.262 [13CH3]Nc1ccccc1OCc2ccccc2 34a_100011193923_200025704644 [0,2,0,0,0,0|1,1,0]=4 5672 B17R2.262 [13CH3]Nc1ccccc1SCc2ccccc2 34a_100000198535_200025704644 [0,2,0,0,0,0|1,0,0]=3 5673 B17R2.262 [13CH3]Nc1ccccc1SCc2ccccc2 7a_100000198535_200025704644 [0,2,0,0,0,0|1,0,0]=3 5674 B17R2.262 [13CH3]Oc1ccccc1OCc2ccccc2 34a_100000187230_200025704644 [0,2,0,0,0,0|1,1,0]=4 5675 B17R2.262 [13CH3]Oc1ccccc1OCc2ccccc2 7a_100000187230_200025704644 [0,2,0,0,0,0|1,1,0]=4 5676 B17R2.262 [13CH3]Sc1ccccc1C#Cc2ccccc2 62a_200025704644_100010200916 [0,2,0,0,0,0|2,0,0]=4 5677 B17R2.262 [13CH3]Sc1ccccc1OCc2ccccc2 62a_100000151716_200025704644 [0,2,0,0,0,0|1,1,0]=4 5678 B17R2.262 [13CH3]Sc1ccccc1OCc2ccccc2 62a_200025704644_100000151716 [0,2,0,0,0,0|1,1,0]=4 5679 B17R2.496 Brc1ccc(cc1)C=Cc2ccccc2Br 271570a_100102527914_100000695589 [0,2,0,0,0,0|2,0,0]=4 5680 B17R2.496 Brc1ccc(cc1)CNc2ccccc2Br 207a_100000210017_100000186029 [0,2,0,0,0,0|2,0,0]=4 5681 B17R2.496 Brc1ccc(cc1)CNc2ccccc2Br 34a_100000210017_100000189115 [0,2,0,0,0,0|2,0,0]=4 5682 B17R2.496 Brc1ccc(cc1)CNc2ccccc2I 207a_100000210053_100000186029 [0,2,0,0,0,0|2,0,0]=4 5683 B17R2.496 Brc1ccc(cc1)CNc2ccccc2I 34a_100000210053_100000189115 [0,2,0,0,0,0|2,0,0]=4 5684 B17R2.496 Brc1ccc(cc1)COc2ccccc2Br 34a_100000181306_100000189115 [0,2,0,0,0,0|1,1,0]=4 5685 B17R2.496 Brc1ccc(cc1)COc2ccccc2Br 7a_100000181306_100011217064 [0,2,0,0,0,0|1,1,0]=4 5686 B17R2.496 Brc1ccc(cc1)COc2ccccc2I 34a_100000739446_100000189115 [0,2,0,0,0,0|1,1,0]=4 5687 B17R2.496 Brc1ccc(cc1)COc2ccccc2I 7a_100000739446_100011217064 [0,2,0,0,0,0|1,1,0]=4 5688 B17R2.496 Brc1ccc(cc1)CSc2ccccc2Br 62a_100000189115_100000695589 [0,2,0,0,0,0|1,0,0]=3 5689 B17R2.496 Brc1ccc(cc1)CSc2ccccc2Br 62a_100000695589_100000189115 [0,2,0,0,0,0|1,0,0]=3 5690 B17R2.496 Brc1ccc(cc1)CSc2cccnc2Br 62a_100000189115_100010202626 [0,2,0,0,0,0|2,0,0]=4 5691 B17R2.496 Brc1ccc(cc1)CSc2cccnc2Br 62a_100010202626_100000189115 [0,2,0,0,0,0|2,0,0]=4 5692 B17R2.496 Brc1ccc(cc1)CSc2ccncc2Br 62a_100000189115_100000726257 [0,2,0,0,0,0|2,0,0]=4 5693 B17R2.496 Brc1ccc(cc1)CSc2ccncc2Br 62a_100000726257_100000189115 [0,2,0,0,0,0|2,0,0]=4 5694 B17R2.496 Brc1ccc(cc1)CSc2cnccc2Br 62a_100000189115_100010138639 [0,2,0,0,0,0|2,0,0]=4 5695 B17R2.496 Brc1ccc(cc1)CSc2cnccc2Br 62a_100010138639_100000189115 [0,2,0,0,0,0|2,0,0]=4 5696 B17R2.496 Brc1ccc(cc1)CSc2ncccc2Br 62a_100000189115_100000696092 [0,2,0,0,0,0|2,0,0]=4 5697 B17R2.496 Brc1ccc(cc1)CSc2ncccc2Br 62a_100000696092_100000189115 [0,2,0,0,0,0|2,0,0]=4 5698 B17R2.496 Brc1ccc(cc1)NCc2ccccc2Br 207a_100000210018_100000211189 [0,2,0,0,0,0|2,0,0]=4 5699 B17R2.496 Brc1ccc(cc1)NCc2ccccc2Br 2230a_100000210018_100000184730 [0,2,0,0,0,0|2,0,0]=4 5700 B17R2.496 Brc1ccc(cc1)NCc2ccccc2Br 270302a_100000210018_100000211189 [0,2,0,0,0,0|2,0,0]=4 5701 B17R2.496 Brc1ccc(cc1)NCc2ccccc2Br 34a_100000210018_100000184730 [0,2,0,0,0,0|2,0,0]=4 5702 B17R2.496 Brc1ccc(cc1)NCc2ccccc2I 207a_100000210018_100000010305 [0,2,0,0,0,0|2,0,0]=4 5703 B17R2.496 Brc1ccc(cc1)NCc2ccccc2I 2230a_100000210018_100011215278 [0,2,0,0,0,0|2,0,0]=4 5704 B17R2.496 Brc1ccc(cc1)NCc2ccccc2I 34a_100000210018_100011215278 [0,2,0,0,0,0|2,0,0]=4 5705 B17R2.496 Brc1ccc(cc1)OCc2ccccc2Br 34a_100000185759_100000184730 [0,2,0,0,0,0|1,1,0]=4 5706 B17R2.496 Brc1ccc(cc1)OCc2ccccc2Br 7a_100000185759_100000184730 [0,2,0,0,0,0|1,1,0]=4 5707 B17R2.496 Brc1ccc(cc1)OCc2ccccc2I 34a_100000185759_100011215278 [0,2,0,0,0,0|1,1,0]=4 5708 B17R2.496 Brc1ccc(cc1)OCc2ccccc2I 7a_100000185759_100011215278 [0,2,0,0,0,0|1,1,0]=4 5709 B17R2.496 Brc1ccc(cc1)SCc2ccccc2Br 62a_100000184730_100000752885 [0,2,0,0,0,0|1,0,0]=3 5710 B17R2.496 Brc1ccc(cc1)SCc2ccccc2Br 62a_100000752885_100000184730 [0,2,0,0,0,0|1,0,0]=3 5711 B17R2.496 Brc1ccc(cc1)SCc2ccccc2I 62a_100000752885_100011216222 [0,2,0,0,0,0|1,0,0]=3 5712 B17R2.496 Brc1ccc(cc1)SCc2ccccc2I 62a_100011216222_100000752885 [0,2,0,0,0,0|1,0,0]=3 5713 B17R2.496 Brc1ccc(cc1)SCc2cccnc2Br 62a_100000752885_100010140945 [0,2,0,0,0,0|2,0,0]=4 5714 B17R2.496 Brc1ccc(cc1)SCc2cccnc2Br 62a_100010140945_100000752885 [0,2,0,0,0,0|2,0,0]=4 5715 B17R2.496 Brc1ccc(cc1)SCc2ncccc2Br 62a_100000752885_100025702911 [0,2,0,0,0,0|2,0,0]=4 5716 B17R2.496 Brc1ccc(cc1)SCc2ncccc2Br 62a_100025702911_100000752885 [0,2,0,0,0,0|2,0,0]=4 5717 B17R2.496 Brc1ccc(cn1)CSc2ccccc2Br 62a_100000695589_100009831999 [0,2,0,0,0,0|2,0,0]=4 5718 B17R2.496 Brc1ccc(cn1)CSc2ccccc2Br 62a_100009831999_100000695589 [0,2,0,0,0,0|2,0,0]=4 5719 B17R2.496 Brc1ccc(cn1)SCc2ccccc2Br 62a_100000184730_100009814638 [0,2,0,0,0,0|2,0,0]=4 5720 B17R2.496 Brc1ccc(cn1)SCc2ccccc2Br 62a_100009814638_100000184730 [0,2,0,0,0,0|2,0,0]=4 5721 B17R2.496 Brc1ccc(cn1)SCc2ccccc2I 62a_100009814638_100011216222 [0,2,0,0,0,0|2,0,0]=4 5722 B17R2.496 Brc1ccc(cn1)SCc2ccccc2I 62a_100011216222_100009814638 [0,2,0,0,0,0|2,0,0]=4 5723 B17R2.496 Brc1ccc(nc1)CSc2ccccc2Br 62a_100000695589_100000702658 [0,2,0,0,0,0|2,0,0]=4 5724 B17R2.496 Brc1ccc(nc1)CSc2ccccc2Br 62a_100000702658_100000695589 [0,2,0,0,0,0|2,0,0]=4 5725 B17R2.496 Brc1ccc(nc1)SCc2ccccc2Br 62a_100000184730_100000686858 [0,2,0,0,0,0|2,0,0]=4 5726 B17R2.496 Brc1ccc(nc1)SCc2ccccc2Br 62a_100000686858_100000184730 [0,2,0,0,0,0|2,0,0]=4 5727 B17R2.496 Brc1ccc(nc1)SCc2ccccc2I 62a_100000686858_100011216222 [0,2,0,0,0,0|2,0,0]=4 5728 B17R2.496 Brc1ccc(nc1)SCc2ccccc2I 62a_100011216222_100000686858 [0,2,0,0,0,0|2,0,0]=4 5729 B17R2.496 Brc1ccccc1CNc2ccc(cc2)I 207a_100000185761_100000211189 [0,2,0,0,0,0|2,0,0]=4 5730 B17R2.496 Brc1ccccc1CNc2ccc(cc2)I 270302a_100000185761_100000211189 [0,2,0,0,0,0|2,0,0]=4 5731 B17R2.496 Brc1ccccc1CNc2ccc(cc2)I 34a_100000185761_100000184730 [0,2,0,0,0,0|2,0,0]=4 5732 B17R2.496 Brc1ccccc1COc2ccc(cc2)I 34a_100000212066_100000184730 [0,2,0,0,0,0|1,1,0]=4 5733 B17R2.496 Brc1ccccc1COc2ccc(cc2)I 7a_100000212066_100000184730 [0,2,0,0,0,0|1,1,0]=4 5734 B17R2.496 Brc1ccccc1NCc2ccc(cc2)I 207a_100000210017_100000188517 [0,2,0,0,0,0|2,0,0]=4 5735 B17R2.496 Brc1ccccc1NCc2ccc(cc2)I 34a_100000210017_100000189116 [0,2,0,0,0,0|2,0,0]=4 5736 B17R2.496 Brc1ccccc1OCc2ccc(cc2)I 34a_100000181306_100000189116 [0,2,0,0,0,0|1,1,0]=4 5737 B17R2.496 Brc1ccccc1OCc2ccc(cc2)I 7a_100000181306_100000189116 [0,2,0,0,0,0|1,1,0]=4 5738 B17R2.496 Brc1ccccc1SCc2ccc(cc2)I 62a_100000189116_100000695589 [0,2,0,0,0,0|1,0,0]=3 5739 B17R2.496 Brc1ccccc1SCc2ccc(cc2)I 62a_100000695589_100000189116 [0,2,0,0,0,0|1,0,0]=3 5740 B17R2.496 Brc1cccnc1SCc2ccc(cc2)I 62a_100000189116_100000696092 [0,2,0,0,0,0|2,0,0]=4 5741 B17R2.496 Brc1cccnc1SCc2ccc(cc2)I 62a_100000696092_100000189116 [0,2,0,0,0,0|2,0,0]=4 5742 B17R2.496 Brc1ccncc1SCc2ccc(cc2)I 62a_100000189116_100010138639 [0,2,0,0,0,0|2,0,0]=4 5743 B17R2.496 Brc1ccncc1SCc2ccc(cc2)I 62a_100010138639_100000189116 [0,2,0,0,0,0|2,0,0]=4 5744 B17R2.496 Brc1cnccc1SCc2ccc(cc2)I 62a_100000189116_100000726257 [0,2,0,0,0,0|2,0,0]=4 5745 B17R2.496 Brc1cnccc1SCc2ccc(cc2)I 62a_100000726257_100000189116 [0,2,0,0,0,0|2,0,0]=4 5746 B17R2.496 Brc1ncccc1SCc2ccc(cc2)I 62a_100000189116_100010202626 [0,2,0,0,0,0|2,0,0]=4 5747 B17R2.496 Brc1ncccc1SCc2ccc(cc2)I 62a_100010202626_100000189116 [0,2,0,0,0,0|2,0,0]=4 5748 B17R2.496 C[n+]1ccccc1SCc2ccc(cc2)Br 62a_100000189115_100000212160 [0,2,0,0,0,0|2,0,0]=4 5749 B17R2.496 C[n+]1ccccc1SCc2ccc(cc2)Cl 62a_100000187161_100000212160 [0,2,0,0,0,0|2,0,0]=4 5750 B17R2.496 C[n+]1ccccc1SCc2ccc(cc2)F 62a_100000198546_100000212160 [0,2,0,0,0,0|2,0,0]=4 5751 B17R2.496 C[n+]1ccccc1SCc2ccc(cc2)I 62a_100000189116_100000212160 [0,2,0,0,0,0|2,0,0]=4 5752 B17R2.496 Cc1ccc(cc1)C=Cc2ccccc2Br 271570a_100102527916_100000695589 [0,2,0,0,0,0|2,0,0]=4 5753 B17R2.496 Cc1ccc(cc1)C=Cc2ccccc2C 271570a_100102527916_100000210755 [0,2,0,0,0,0|2,0,0]=4 5754 B17R2.496 Cc1ccc(cc1)C=Cc2ccccc2Cl 271570a_100102527916_100000764095 [0,2,0,0,0,0|2,0,0]=4 5755 B17R2.496 Cc1ccc(cc1)C=Cc2ccccc2F 271570a_100102527916_100011215700 [0,2,0,0,0,0|2,0,0]=4 5756 B17R2.496 Cc1ccc(cc1)C=Cc2ccccc2F 271570a_200102527919_100000186775 [0,2,0,0,0,0|2,0,0]=4 5757 B17R2.496 Cc1ccc(cc1)C=Cc2ccccc2N 271570a_100102527916_100000210017 [0,2,0,0,0,0|2,0,0]=4 5758 B17R2.496 Cc1ccc(cc1)C=Cc2ccccc2O 271570a_100102527916_100000739446 [0,2,0,0,0,0|2,0,0]=4 5759 B17R2.496 Cc1ccc(cc1)CNc2ccccc2Br 207a_100000210017_100000211033 [0,2,0,0,0,0|2,0,0]=4 5760 B17R2.496 Cc1ccc(cc1)CNc2ccccc2Br 34a_100000210017_100000210814 [0,2,0,0,0,0|2,0,0]=4 5761 B17R2.496 Cc1ccc(cc1)CNc2ccccc2C 207a_100015192222_100000211033 [0,2,0,0,0,0|2,0,0]=4 5762 B17R2.496 Cc1ccc(cc1)CNc2ccccc2C 270302a_100015192222_100000211033 [0,2,0,0,0,0|2,0,0]=4 5763 B17R2.496 Cc1ccc(cc1)CNc2ccccc2C 34a_100015192222_100000210814 [0,2,0,0,0,0|2,0,0]=4 5764 B17R2.496 Cc1ccc(cc1)CNc2ccccc2Cl 207a_100000185783_100000211033 [0,2,0,0,0,0|2,0,0]=4 5765 B17R2.496 Cc1ccc(cc1)CNc2ccccc2Cl 34a_100000185783_100000210814 [0,2,0,0,0,0|2,0,0]=4 5766 B17R2.496 Cc1ccc(cc1)CNc2ccccc2F 207a_100000210422_100000211033 [0,2,0,0,0,0|2,0,0]=4 5767 B17R2.496 Cc1ccc(cc1)CNc2ccccc2F 34a_100000210422_100000210814 [0,2,0,0,0,0|2,0,0]=4 5768 B17R2.496 Cc1ccc(cc1)CNc2ccccc2I 207a_100000210053_100000211033 [0,2,0,0,0,0|2,0,0]=4 5769 B17R2.496 Cc1ccc(cc1)CNc2ccccc2I 34a_100000210053_100000210814 [0,2,0,0,0,0|2,0,0]=4 5770 B17R2.496 Cc1ccc(cc1)CNc2ccccc2O 34a_100000185747_100000210814 [0,2,0,0,0,0|2,0,0]=4 5771 B17R2.496 Cc1ccc(cc1)COc2ccccc2Br 34a_100000181306_100000210814 [0,2,0,0,0,0|1,1,0]=4 5772 B17R2.496 Cc1ccc(cc1)COc2ccccc2Br 7a_100000181306_100000210814 [0,2,0,0,0,0|1,1,0]=4 5773 B17R2.496 Cc1ccc(cc1)COc2ccccc2C 34a_100000210338_100000210814 [0,2,0,0,0,0|1,1,0]=4 5774 B17R2.496 Cc1ccc(cc1)COc2ccccc2C 7a_100000210338_100000210814 [0,2,0,0,0,0|1,1,0]=4 5775 B17R2.496 Cc1ccc(cc1)COc2ccccc2Cl 34a_100000210172_100000210814 [0,2,0,0,0,0|1,1,0]=4 5776 B17R2.496 Cc1ccc(cc1)COc2ccccc2Cl 7a_100000210172_100000210814 [0,2,0,0,0,0|1,1,0]=4 5777 B17R2.496 Cc1ccc(cc1)COc2ccccc2F 34a_100000210171_100000210814 [0,2,0,0,0,0|1,1,0]=4 5778 B17R2.496 Cc1ccc(cc1)COc2ccccc2F 7a_100000210171_100000210814 [0,2,0,0,0,0|1,1,0]=4 5779 B17R2.496 Cc1ccc(cc1)COc2ccccc2I 34a_100000739446_100000210814 [0,2,0,0,0,0|1,1,0]=4 5780 B17R2.496 Cc1ccc(cc1)COc2ccccc2I 7a_100000739446_100000210814 [0,2,0,0,0,0|1,1,0]=4 5781 B17R2.496 Cc1ccc(cc1)COc2ccccc2N 34a_100000185747_100000210814 [0,2,0,0,0,0|1,1,0]=4 5782 B17R2.496 Cc1ccc(cc1)COc2ccccc2N 7a_100000185747_100000210814 [0,2,0,0,0,0|1,1,0]=4 5783 B17R2.496 Cc1ccc(cc1)CSc2c[nH]ccc2=O 62a_100000210814_100009998708 [0,2,0,0,0,0|2,0,0]=4 5784 B17R2.496 Cc1ccc(cc1)CSc2c[nH]ccc2=O 62a_100009998708_100000210814 [0,2,0,0,0,0|2,0,0]=4 5785 B17R2.496 Cc1ccc(cc1)CSc2c[nH]ccc2=S 62a_100000210814_200012280681 [0,2,0,0,0,0|2,0,0]=4 5786 B17R2.496 Cc1ccc(cc1)CSc2c[nH]ccc2=S 62a_200012280681_100000210814 [0,2,0,0,0,0|2,0,0]=4 5787 B17R2.496 Cc1ccc(cc1)CSc2cccc[n+]2C 62a_100000210814_100000212160 [0,2,0,0,0,0|2,0,0]=4 5788 B17R2.496 Cc1ccc(cc1)CSc2cccc[n+]2[O-] 62a_100000210814_200000042595 [0,2,0,0,0,0|2,0,0]=4 5789 B17R2.496 Cc1ccc(cc1)CSc2ccccc2Br 62a_100000210814_100000695589 [0,2,0,0,0,0|1,0,0]=3 5790 B17R2.496 Cc1ccc(cc1)CSc2ccccc2Br 62a_100000695589_100000210814 [0,2,0,0,0,0|1,0,0]=3 5791 B17R2.496 Cc1ccc(cc1)CSc2ccccc2C 62a_100000210755_100000210814 [0,2,0,0,0,0|1,0,0]=3 5792 B17R2.496 Cc1ccc(cc1)CSc2ccccc2C 62a_100000210814_100000210755 [0,2,0,0,0,0|1,0,0]=3 5793 B17R2.496 Cc1ccc(cc1)CSc2ccccc2Cl 62a_100000210814_100000764095 [0,2,0,0,0,0|1,0,0]=3 5794 B17R2.496 Cc1ccc(cc1)CSc2ccccc2Cl 62a_100000764095_100000210814 [0,2,0,0,0,0|1,0,0]=3 5795 B17R2.496 Cc1ccc(cc1)CSc2ccccc2F 62a_100000210814_100011215700 [0,2,0,0,0,0|1,0,0]=3 5796 B17R2.496 Cc1ccc(cc1)CSc2ccccc2F 62a_100011215700_100000210814 [0,2,0,0,0,0|1,0,0]=3 5797 B17R2.496 Cc1ccc(cc1)CSc2ccccc2N 62a_100000210017_100000210814 [0,2,0,0,0,0|1,0,0]=3 5798 B17R2.496 Cc1ccc(cc1)CSc2ccccc2N 62a_100000210814_100000210017 [0,2,0,0,0,0|1,0,0]=3 5799 B17R2.496 Cc1ccc(cc1)CSc2ccccc2O 62a_100000210814_100000739446 [0,2,0,0,0,0|1,0,0]=3 5800 B17R2.496 Cc1ccc(cc1)CSc2ccccc2O 62a_100000739446_100000210814 [0,2,0,0,0,0|1,0,0]=3 5801 B17R2.496 Cc1ccc(cc1)CSc2cccnc2Br 62a_100000210814_100010202626 [0,2,0,0,0,0|2,0,0]=4 5802 B17R2.496 Cc1ccc(cc1)CSc2cccnc2Br 62a_100010202626_100000210814 [0,2,0,0,0,0|2,0,0]=4 5803 B17R2.496 Cc1ccc(cc1)CSc2cccnc2C 62a_100000210814_100000751574 [0,2,0,0,0,0|2,0,0]=4 5804 B17R2.496 Cc1ccc(cc1)CSc2cccnc2C 62a_100000751574_100000210814 [0,2,0,0,0,0|2,0,0]=4 5805 B17R2.496 Cc1ccc(cc1)CSc2cccnc2Cl 62a_100000036424_100000210814 [0,2,0,0,0,0|2,0,0]=4 5806 B17R2.496 Cc1ccc(cc1)CSc2cccnc2Cl 62a_100000210814_100000036424 [0,2,0,0,0,0|2,0,0]=4 5807 B17R2.496 Cc1ccc(cc1)CSc2cccnc2F 62a_100000210814_100009816115 [0,2,0,0,0,0|2,0,0]=4 5808 B17R2.496 Cc1ccc(cc1)CSc2cccnc2F 62a_100009816115_100000210814 [0,2,0,0,0,0|2,0,0]=4 5809 B17R2.496 Cc1ccc(cc1)CSc2cccnc2N 62a_100000045569_100000210814 [0,2,0,0,0,0|2,0,0]=4 5810 B17R2.496 Cc1ccc(cc1)CSc2cccnc2N 62a_100000210814_100000045569 [0,2,0,0,0,0|2,0,0]=4 5811 B17R2.496 Cc1ccc(cc1)CSc2cccnc2O 62a_100000210814_100000760158 [0,2,0,0,0,0|2,0,0]=4 5812 B17R2.496 Cc1ccc(cc1)CSc2cccnc2O 62a_100000760158_100000210814 [0,2,0,0,0,0|2,0,0]=4 5813 B17R2.496 Cc1ccc(cc1)CSc2ccncc2Br 62a_100000210814_100000726257 [0,2,0,0,0,0|2,0,0]=4 5814 B17R2.496 Cc1ccc(cc1)CSc2ccncc2Br 62a_100000726257_100000210814 [0,2,0,0,0,0|2,0,0]=4 5815 B17R2.496 Cc1ccc(cc1)CSc2ccncc2C 62a_100000210814_100000765111 [0,2,0,0,0,0|2,0,0]=4 5816 B17R2.496 Cc1ccc(cc1)CSc2ccncc2C 62a_100000765111_100000210814 [0,2,0,0,0,0|2,0,0]=4 5817 B17R2.496 Cc1ccc(cc1)CSc2ccncc2Cl 62a_100000210814_100000708259 [0,2,0,0,0,0|2,0,0]=4 5818 B17R2.496 Cc1ccc(cc1)CSc2ccncc2Cl 62a_100000708259_100000210814 [0,2,0,0,0,0|2,0,0]=4 5819 B17R2.496 Cc1ccc(cc1)CSc2ccncc2F 62a_100000047030_100000210814 [0,2,0,0,0,0|2,0,0]=4 5820 B17R2.496 Cc1ccc(cc1)CSc2ccncc2F 62a_100000210814_100000047030 [0,2,0,0,0,0|2,0,0]=4 5821 B17R2.496 Cc1ccc(cc1)CSc2ccncc2N 62a_100000210814_100000756074 [0,2,0,0,0,0|2,0,0]=4 5822 B17R2.496 Cc1ccc(cc1)CSc2ccncc2N 62a_100000756074_100000210814 [0,2,0,0,0,0|2,0,0]=4 5823 B17R2.496 Cc1ccc(cc1)CSc2ccncc2O 62a_100000210814_100009817591 [0,2,0,0,0,0|2,0,0]=4 5824 B17R2.496 Cc1ccc(cc1)CSc2ccncc2O 62a_100009817591_100000210814 [0,2,0,0,0,0|2,0,0]=4 5825 B17R2.496 Cc1ccc(cc1)CSc2cnccc2Br 62a_100000210814_100010138639 [0,2,0,0,0,0|2,0,0]=4 5826 B17R2.496 Cc1ccc(cc1)CSc2cnccc2Br 62a_100010138639_100000210814 [0,2,0,0,0,0|2,0,0]=4 5827 B17R2.496 Cc1ccc(cc1)CSc2cnccc2C 62a_100000210814_100000761580 [0,2,0,0,0,0|2,0,0]=4 5828 B17R2.496 Cc1ccc(cc1)CSc2cnccc2C 62a_100000761580_100000210814 [0,2,0,0,0,0|2,0,0]=4 5829 B17R2.496 Cc1ccc(cc1)CSc2cnccc2Cl 62a_100000210814_100009995489 [0,2,0,0,0,0|2,0,0]=4 5830 B17R2.496 Cc1ccc(cc1)CSc2cnccc2Cl 62a_100009995489_100000210814 [0,2,0,0,0,0|2,0,0]=4 5831 B17R2.496 Cc1ccc(cc1)CSc2cnccc2F 62a_100000210814_100009820683 [0,2,0,0,0,0|2,0,0]=4 5832 B17R2.496 Cc1ccc(cc1)CSc2cnccc2F 62a_100009820683_100000210814 [0,2,0,0,0,0|2,0,0]=4 5833 B17R2.496 Cc1ccc(cc1)CSc2cnccc2N 62a_100000047001_100000210814 [0,2,0,0,0,0|2,0,0]=4 5834 B17R2.496 Cc1ccc(cc1)CSc2cnccc2N 62a_100000210814_100000047001 [0,2,0,0,0,0|2,0,0]=4 5835 B17R2.496 Cc1ccc(cc1)CSc2ncccc2Br 62a_100000210814_100000696092 [0,2,0,0,0,0|2,0,0]=4 5836 B17R2.496 Cc1ccc(cc1)CSc2ncccc2Br 62a_100000696092_100000210814 [0,2,0,0,0,0|2,0,0]=4 5837 B17R2.496 Cc1ccc(cc1)CSc2ncccc2C 62a_100000210814_100000751373 [0,2,0,0,0,0|2,0,0]=4 5838 B17R2.496 Cc1ccc(cc1)CSc2ncccc2C 62a_100000751373_100000210814 [0,2,0,0,0,0|2,0,0]=4 5839 B17R2.496 Cc1ccc(cc1)CSc2ncccc2Cl 62a_100000210814_100011356963 [0,2,0,0,0,0|2,0,0]=4 5840 B17R2.496 Cc1ccc(cc1)CSc2ncccc2Cl 62a_100011356963_100000210814 [0,2,0,0,0,0|2,0,0]=4 5841 B17R2.496 Cc1ccc(cc1)CSc2ncccc2F 62a_100000210814_100000685392 [0,2,0,0,0,0|2,0,0]=4 5842 B17R2.496 Cc1ccc(cc1)CSc2ncccc2F 62a_100000685392_100000210814 [0,2,0,0,0,0|2,0,0]=4 5843 B17R2.496 Cc1ccc(cc1)CSc2ncccc2N 62a_100000210814_100000688686 [0,2,0,0,0,0|2,0,0]=4 5844 B17R2.496 Cc1ccc(cc1)CSc2ncccc2N 62a_100000688686_100000210814 [0,2,0,0,0,0|2,0,0]=4 5845 B17R2.496 Cc1ccc(cc1)CSc2ncccc2O 62a_100000034122_100000210814 [0,2,0,0,0,0|2,0,0]=4 5846 B17R2.496 Cc1ccc(cc1)CSc2ncccc2O 62a_100000210814_100000034122 [0,2,0,0,0,0|2,0,0]=4 5847 B17R2.496 Cc1ccc(cc1)NCc2ccccc2Br 207a_100000124888_100000211189 [0,2,0,0,0,0|2,0,0]=4 5848 B17R2.496 Cc1ccc(cc1)NCc2ccccc2Br 270302a_100000124888_100000211189 [0,2,0,0,0,0|2,0,0]=4 5849 B17R2.496 Cc1ccc(cc1)NCc2ccccc2Br 34a_100000124888_100000184730 [0,2,0,0,0,0|2,0,0]=4 5850 B17R2.496 Cc1ccc(cc1)NCc2ccccc2C 207a_100000124888_100000211143 [0,2,0,0,0,0|2,0,0]=4 5851 B17R2.496 Cc1ccc(cc1)NCc2ccccc2C 270302a_100000124888_100000211143 [0,2,0,0,0,0|2,0,0]=4 5852 B17R2.496 Cc1ccc(cc1)NCc2ccccc2C 34a_100000124888_100000211839 [0,2,0,0,0,0|2,0,0]=4 5853 B17R2.496 Cc1ccc(cc1)NCc2ccccc2Cl 207a_100000124888_100000210073 [0,2,0,0,0,0|2,0,0]=4 5854 B17R2.496 Cc1ccc(cc1)NCc2ccccc2Cl 270302a_100000124888_100000210073 [0,2,0,0,0,0|2,0,0]=4 5855 B17R2.496 Cc1ccc(cc1)NCc2ccccc2Cl 34a_100000124888_100000187162 [0,2,0,0,0,0|2,0,0]=4 5856 B17R2.496 Cc1ccc(cc1)NCc2ccccc2F 207a_100000124888_100000210811 [0,2,0,0,0,0|2,0,0]=4 5857 B17R2.496 Cc1ccc(cc1)NCc2ccccc2F 270302a_100000124888_100000210811 [0,2,0,0,0,0|2,0,0]=4 5858 B17R2.496 Cc1ccc(cc1)NCc2ccccc2F 34a_100000124888_100000211605 [0,2,0,0,0,0|2,0,0]=4 5859 B17R2.496 Cc1ccc(cc1)NCc2ccccc2I 207a_100000124888_100000010305 [0,2,0,0,0,0|2,0,0]=4 5860 B17R2.496 Cc1ccc(cc1)NCc2ccccc2I 34a_100000124888_100011215278 [0,2,0,0,0,0|2,0,0]=4 5861 B17R2.496 Cc1ccc(cc1)NCc2ccccc2O 270302a_100000124888_100000185834 [0,2,0,0,0,0|2,0,0]=4 5862 B17R2.496 Cc1ccc(cc1)OCc2ccccc2Br 34a_100000210336_100000184730 [0,2,0,0,0,0|1,1,0]=4 5863 B17R2.496 Cc1ccc(cc1)OCc2ccccc2Br 7a_100000210336_100000184730 [0,2,0,0,0,0|1,1,0]=4 5864 B17R2.496 Cc1ccc(cc1)OCc2ccccc2C 34a_100000210336_100000211839 [0,2,0,0,0,0|1,1,0]=4 5865 B17R2.496 Cc1ccc(cc1)OCc2ccccc2C 7a_100000210336_100000211839 [0,2,0,0,0,0|1,1,0]=4 5866 B17R2.496 Cc1ccc(cc1)OCc2ccccc2Cl 34a_100000210336_100000187162 [0,2,0,0,0,0|1,1,0]=4 5867 B17R2.496 Cc1ccc(cc1)OCc2ccccc2Cl 7a_100000210336_100000187162 [0,2,0,0,0,0|1,1,0]=4 5868 B17R2.496 Cc1ccc(cc1)OCc2ccccc2F 34a_100000210336_100000211605 [0,2,0,0,0,0|1,1,0]=4 5869 B17R2.496 Cc1ccc(cc1)OCc2ccccc2F 7a_100000210336_100000211605 [0,2,0,0,0,0|1,1,0]=4 5870 B17R2.496 Cc1ccc(cc1)OCc2ccccc2I 34a_100000210336_100011215278 [0,2,0,0,0,0|1,1,0]=4 5871 B17R2.496 Cc1ccc(cc1)OCc2ccccc2I 7a_100000210336_100011215278 [0,2,0,0,0,0|1,1,0]=4 5872 B17R2.496 Cc1ccc(cc1)SCc2ccccc2Br 62a_100000184730_100000186775 [0,2,0,0,0,0|1,0,0]=3 5873 B17R2.496 Cc1ccc(cc1)SCc2ccccc2Br 62a_100000186775_100000184730 [0,2,0,0,0,0|1,0,0]=3 5874 B17R2.496 Cc1ccc(cc1)SCc2ccccc2C 62a_100000186775_100000211839 [0,2,0,0,0,0|1,0,0]=3 5875 B17R2.496 Cc1ccc(cc1)SCc2ccccc2C 62a_100000211839_100000186775 [0,2,0,0,0,0|1,0,0]=3 5876 B17R2.496 Cc1ccc(cc1)SCc2ccccc2Cl 62a_100000186775_100000187162 [0,2,0,0,0,0|1,0,0]=3 5877 B17R2.496 Cc1ccc(cc1)SCc2ccccc2Cl 62a_100000187162_100000186775 [0,2,0,0,0,0|1,0,0]=3 5878 B17R2.496 Cc1ccc(cc1)SCc2ccccc2F 62a_100000186775_100000211605 [0,2,0,0,0,0|1,0,0]=3 5879 B17R2.496 Cc1ccc(cc1)SCc2ccccc2F 62a_100000211605_100000186775 [0,2,0,0,0,0|1,0,0]=3 5880 B17R2.496 Cc1ccc(cc1)SCc2ccccc2I 62a_100000186775_100011216222 [0,2,0,0,0,0|1,0,0]=3 5881 B17R2.496 Cc1ccc(cc1)SCc2ccccc2I 62a_100011216222_100000186775 [0,2,0,0,0,0|1,0,0]=3 5882 B17R2.496 Cc1ccc(cc1)SCc2cccnc2Br 62a_100000186775_100010140945 [0,2,0,0,0,0|2,0,0]=4 5883 B17R2.496 Cc1ccc(cc1)SCc2cccnc2Br 62a_100010140945_100000186775 [0,2,0,0,0,0|2,0,0]=4 5884 B17R2.496 Cc1ccc(cc1)SCc2cccnc2C 62a_100000186775_100000732876 [0,2,0,0,0,0|2,0,0]=4 5885 B17R2.496 Cc1ccc(cc1)SCc2cccnc2C 62a_100000732876_100000186775 [0,2,0,0,0,0|2,0,0]=4 5886 B17R2.496 Cc1ccc(cc1)SCc2cccnc2Cl 62a_100000045678_100000186775 [0,2,0,0,0,0|2,0,0]=4 5887 B17R2.496 Cc1ccc(cc1)SCc2cccnc2Cl 62a_100000186775_100000045678 [0,2,0,0,0,0|2,0,0]=4 5888 B17R2.496 Cc1ccc(cc1)SCc2cccnc2F 62a_100000099810_100000186775 [0,2,0,0,0,0|2,0,0]=4 5889 B17R2.496 Cc1ccc(cc1)SCc2cccnc2F 62a_100000186775_100000099810 [0,2,0,0,0,0|2,0,0]=4 5890 B17R2.496 Cc1ccc(cc1)SCc2ccncc2C 62a_100000186775_100020672808 [0,2,0,0,0,0|2,0,0]=4 5891 B17R2.496 Cc1ccc(cc1)SCc2ccncc2C 62a_100020672808_100000186775 [0,2,0,0,0,0|2,0,0]=4 5892 B17R2.496 Cc1ccc(cc1)SCc2ccncc2Cl 62a_100000186775_100000763264 [0,2,0,0,0,0|2,0,0]=4 5893 B17R2.496 Cc1ccc(cc1)SCc2ccncc2Cl 62a_100000763264_100000186775 [0,2,0,0,0,0|2,0,0]=4 5894 B17R2.496 Cc1ccc(cc1)SCc2cnccc2C 62a_100000186775_100000690890 [0,2,0,0,0,0|2,0,0]=4 5895 B17R2.496 Cc1ccc(cc1)SCc2cnccc2C 62a_100000690890_100000186775 [0,2,0,0,0,0|2,0,0]=4 5896 B17R2.496 Cc1ccc(cc1)SCc2ncccc2Br 62a_100000186775_100025702911 [0,2,0,0,0,0|2,0,0]=4 5897 B17R2.496 Cc1ccc(cc1)SCc2ncccc2Br 62a_100025702911_100000186775 [0,2,0,0,0,0|2,0,0]=4 5898 B17R2.496 Cc1ccc(cc1)SCc2ncccc2C 62a_100000186775_100000696600 [0,2,0,0,0,0|2,0,0]=4 5899 B17R2.496 Cc1ccc(cc1)SCc2ncccc2C 62a_100000696600_100000186775 [0,2,0,0,0,0|2,0,0]=4 5900 B17R2.496 Cc1ccc(cc1)SCc2ncccc2Cl 62a_100000099807_100000186775 [0,2,0,0,0,0|2,0,0]=4 5901 B17R2.496 Cc1ccc(cc1)SCc2ncccc2Cl 62a_100000186775_100000099807 [0,2,0,0,0,0|2,0,0]=4 5902 B17R2.496 Cc1ccc(cc1)SCc2ncccc2F 62a_100000104219_100000186775 [0,2,0,0,0,0|2,0,0]=4 5903 B17R2.496 Cc1ccc(cc1)SCc2ncccc2F 62a_100000186775_100000104219 [0,2,0,0,0,0|2,0,0]=4 5904 B17R2.496 Cc1ccc(cc1)SCc2ncccc2O 62a_100000186775_200020655725 [0,2,0,0,0,0|2,0,0]=4 5905 B17R2.496 Cc1ccc(cc1)SCc2ncccc2O 62a_200020655725_100000186775 [0,2,0,0,0,0|2,0,0]=4 5906 B17R2.496 Cc1ccc(cn1)CSc2ccccc2Br 62a_100000695589_100016987292 [0,2,0,0,0,0|2,0,0]=4 5907 B17R2.496 Cc1ccc(cn1)CSc2ccccc2Br 62a_100016987292_100000695589 [0,2,0,0,0,0|2,0,0]=4 5908 B17R2.496 Cc1ccc(cn1)CSc2ccccc2C 62a_100000210755_100016987292 [0,2,0,0,0,0|2,0,0]=4 5909 B17R2.496 Cc1ccc(cn1)CSc2ccccc2C 62a_100016987292_100000210755 [0,2,0,0,0,0|2,0,0]=4 5910 B17R2.496 Cc1ccc(cn1)CSc2ccccc2Cl 62a_100000764095_100016987292 [0,2,0,0,0,0|2,0,0]=4 5911 B17R2.496 Cc1ccc(cn1)CSc2ccccc2Cl 62a_100016987292_100000764095 [0,2,0,0,0,0|2,0,0]=4 5912 B17R2.496 Cc1ccc(cn1)CSc2ccccc2F 62a_100011215700_100016987292 [0,2,0,0,0,0|2,0,0]=4 5913 B17R2.496 Cc1ccc(cn1)CSc2ccccc2F 62a_100016987292_100011215700 [0,2,0,0,0,0|2,0,0]=4 5914 B17R2.496 Cc1ccc(cn1)CSc2ccccc2N 62a_100000210017_100016987292 [0,2,0,0,0,0|2,0,0]=4 5915 B17R2.496 Cc1ccc(cn1)CSc2ccccc2N 62a_100016987292_100000210017 [0,2,0,0,0,0|2,0,0]=4 5916 B17R2.496 Cc1ccc(cn1)CSc2ccccc2O 62a_100000739446_100016987292 [0,2,0,0,0,0|2,0,0]=4 5917 B17R2.496 Cc1ccc(cn1)CSc2ccccc2O 62a_100016987292_100000739446 [0,2,0,0,0,0|2,0,0]=4 5918 B17R2.496 Cc1ccc(cn1)SCc2ccccc2Br 62a_100000184730_100000751577 [0,2,0,0,0,0|2,0,0]=4 5919 B17R2.496 Cc1ccc(cn1)SCc2ccccc2Br 62a_100000751577_100000184730 [0,2,0,0,0,0|2,0,0]=4 5920 B17R2.496 Cc1ccc(cn1)SCc2ccccc2C 62a_100000211839_100000751577 [0,2,0,0,0,0|2,0,0]=4 5921 B17R2.496 Cc1ccc(cn1)SCc2ccccc2C 62a_100000751577_100000211839 [0,2,0,0,0,0|2,0,0]=4 5922 B17R2.496 Cc1ccc(cn1)SCc2ccccc2Cl 62a_100000187162_100000751577 [0,2,0,0,0,0|2,0,0]=4 5923 B17R2.496 Cc1ccc(cn1)SCc2ccccc2Cl 62a_100000751577_100000187162 [0,2,0,0,0,0|2,0,0]=4 5924 B17R2.496 Cc1ccc(cn1)SCc2ccccc2F 62a_100000211605_100000751577 [0,2,0,0,0,0|2,0,0]=4 5925 B17R2.496 Cc1ccc(cn1)SCc2ccccc2F 62a_100000751577_100000211605 [0,2,0,0,0,0|2,0,0]=4 5926 B17R2.496 Cc1ccc(cn1)SCc2ccccc2I 62a_100000751577_100011216222 [0,2,0,0,0,0|2,0,0]=4 5927 B17R2.496 Cc1ccc(cn1)SCc2ccccc2I 62a_100011216222_100000751577 [0,2,0,0,0,0|2,0,0]=4 5928 B17R2.496 Cc1ccc(nc1)CSc2ccccc2Br 62a_100000691093_100000695589 [0,2,0,0,0,0|2,0,0]=4 5929 B17R2.496 Cc1ccc(nc1)CSc2ccccc2Br 62a_100000695589_100000691093 [0,2,0,0,0,0|2,0,0]=4 5930 B17R2.496 Cc1ccc(nc1)CSc2ccccc2C 62a_100000210755_100000691093 [0,2,0,0,0,0|2,0,0]=4 5931 B17R2.496 Cc1ccc(nc1)CSc2ccccc2C 62a_100000691093_100000210755 [0,2,0,0,0,0|2,0,0]=4 5932 B17R2.496 Cc1ccc(nc1)CSc2ccccc2Cl 62a_100000691093_100000764095 [0,2,0,0,0,0|2,0,0]=4 5933 B17R2.496 Cc1ccc(nc1)CSc2ccccc2Cl 62a_100000764095_100000691093 [0,2,0,0,0,0|2,0,0]=4 5934 B17R2.496 Cc1ccc(nc1)CSc2ccccc2F 62a_100000691093_100011215700 [0,2,0,0,0,0|2,0,0]=4 5935 B17R2.496 Cc1ccc(nc1)CSc2ccccc2F 62a_100011215700_100000691093 [0,2,0,0,0,0|2,0,0]=4 5936 B17R2.496 Cc1ccc(nc1)CSc2ccccc2N 62a_100000210017_100000691093 [0,2,0,0,0,0|2,0,0]=4 5937 B17R2.496 Cc1ccc(nc1)CSc2ccccc2N 62a_100000691093_100000210017 [0,2,0,0,0,0|2,0,0]=4 5938 B17R2.496 Cc1ccc(nc1)CSc2ccccc2O 62a_100000691093_100000739446 [0,2,0,0,0,0|2,0,0]=4 5939 B17R2.496 Cc1ccc(nc1)CSc2ccccc2O 62a_100000739446_100000691093 [0,2,0,0,0,0|2,0,0]=4 5940 B17R2.496 Cc1ccc(nc1)SCc2ccccc2Br 62a_100000184730_100000754016 [0,2,0,0,0,0|2,0,0]=4 5941 B17R2.496 Cc1ccc(nc1)SCc2ccccc2Br 62a_100011192072_100000184730 [0,2,0,0,0,0|2,0,0]=4 5942 B17R2.496 Cc1ccc(nc1)SCc2ccccc2C 62a_100000211839_100000754016 [0,2,0,0,0,0|2,0,0]=4 5943 B17R2.496 Cc1ccc(nc1)SCc2ccccc2C 62a_100011192072_100000211839 [0,2,0,0,0,0|2,0,0]=4 5944 B17R2.496 Cc1ccc(nc1)SCc2ccccc2Cl 62a_100000187162_100000754016 [0,2,0,0,0,0|2,0,0]=4 5945 B17R2.496 Cc1ccc(nc1)SCc2ccccc2Cl 62a_100011192072_100000187162 [0,2,0,0,0,0|2,0,0]=4 5946 B17R2.496 Cc1ccc(nc1)SCc2ccccc2F 62a_100000211605_100000754016 [0,2,0,0,0,0|2,0,0]=4 5947 B17R2.496 Cc1ccc(nc1)SCc2ccccc2F 62a_100011192072_100000211605 [0,2,0,0,0,0|2,0,0]=4 5948 B17R2.496 Cc1ccc(nc1)SCc2ccccc2I 62a_100011192072_100011216222 [0,2,0,0,0,0|2,0,0]=4 5949 B17R2.496 Cc1ccc(nc1)SCc2ccccc2I 62a_100011216222_100000754016 [0,2,0,0,0,0|2,0,0]=4 5950 B17R2.496 Cc1ccccc1C=Cc2ccc(cc2)Br 271570a_100102527914_100000210755 [0,2,0,0,0,0|2,0,0]=4 5951 B17R2.496 Cc1ccccc1C=Cc2ccc(cc2)Cl 271570a_100102527930_100000210755 [0,2,0,0,0,0|2,0,0]=4 5952 B17R2.496 Cc1ccccc1C=Cc2ccc(cc2)F 271570a_100102525539_100000210755 [0,2,0,0,0,0|2,0,0]=4 5953 B17R2.496 Cc1ccccc1CNc2ccc(cc2)Br 207a_100000210018_100000211143 [0,2,0,0,0,0|2,0,0]=4 5954 B17R2.496 Cc1ccccc1CNc2ccc(cc2)Br 2230a_100000210018_100000211839 [0,2,0,0,0,0|2,0,0]=4 5955 B17R2.496 Cc1ccccc1CNc2ccc(cc2)Br 270302a_100000210018_100000211143 [0,2,0,0,0,0|2,0,0]=4 5956 B17R2.496 Cc1ccccc1CNc2ccc(cc2)Br 34a_100000210018_100000211839 [0,2,0,0,0,0|2,0,0]=4 5957 B17R2.496 Cc1ccccc1CNc2ccc(cc2)Cl 207a_100000210052_100000211143 [0,2,0,0,0,0|2,0,0]=4 5958 B17R2.496 Cc1ccccc1CNc2ccc(cc2)Cl 2230a_100000210052_100000211839 [0,2,0,0,0,0|2,0,0]=4 5959 B17R2.496 Cc1ccccc1CNc2ccc(cc2)Cl 270302a_100000210052_100000211143 [0,2,0,0,0,0|2,0,0]=4 5960 B17R2.496 Cc1ccccc1CNc2ccc(cc2)Cl 34a_100000210052_100000211839 [0,2,0,0,0,0|2,0,0]=4 5961 B17R2.496 Cc1ccccc1CNc2ccc(cc2)F 207a_100000185862_100000211143 [0,2,0,0,0,0|2,0,0]=4 5962 B17R2.496 Cc1ccccc1CNc2ccc(cc2)F 270302a_100000185862_100000211143 [0,2,0,0,0,0|2,0,0]=4 5963 B17R2.496 Cc1ccccc1CNc2ccc(cc2)F 34a_100000185862_100000211839 [0,2,0,0,0,0|2,0,0]=4 5964 B17R2.496 Cc1ccccc1CNc2ccc(cc2)I 207a_100000185761_100000211143 [0,2,0,0,0,0|2,0,0]=4 5965 B17R2.496 Cc1ccccc1CNc2ccc(cc2)I 270302a_100000185761_100000211143 [0,2,0,0,0,0|2,0,0]=4 5966 B17R2.496 Cc1ccccc1CNc2ccc(cc2)I 34a_100000185761_100000211839 [0,2,0,0,0,0|2,0,0]=4 5967 B17R2.496 Cc1ccccc1CNc2ccc(cc2)O 270302a_100000185829_100000211143 [0,2,0,0,0,0|2,0,0]=4 5968 B17R2.496 Cc1ccccc1CNc2ccc(cc2)O 34a_100000185829_100000211839 [0,2,0,0,0,0|2,0,0]=4 5969 B17R2.496 Cc1ccccc1COc2ccc(cc2)Br 34a_100000185759_100000211839 [0,2,0,0,0,0|1,1,0]=4 5970 B17R2.496 Cc1ccccc1COc2ccc(cc2)Br 7a_100000185759_100000211839 [0,2,0,0,0,0|1,1,0]=4 5971 B17R2.496 Cc1ccccc1COc2ccc(cc2)Cl 34a_100000210216_100000211839 [0,2,0,0,0,0|1,1,0]=4 5972 B17R2.496 Cc1ccccc1COc2ccc(cc2)Cl 7a_100000210216_100000211839 [0,2,0,0,0,0|1,1,0]=4 5973 B17R2.496 Cc1ccccc1COc2ccc(cc2)F 34a_100000210339_100000211839 [0,2,0,0,0,0|1,1,0]=4 5974 B17R2.496 Cc1ccccc1COc2ccc(cc2)I 34a_100000212066_100000211839 [0,2,0,0,0,0|1,1,0]=4 5975 B17R2.496 Cc1ccccc1COc2ccc(cc2)I 7a_100000212066_100000211839 [0,2,0,0,0,0|1,1,0]=4 5976 B17R2.496 Cc1ccccc1COc2ccc(cc2)N 34a_100000185829_100000211839 [0,2,0,0,0,0|1,1,0]=4 5977 B17R2.496 Cc1ccccc1CSc2cc[n+](cc2)[O-] 62a_100000211839_100000039755 [0,2,0,0,0,0|2,0,0]=4 5978 B17R2.496 Cc1ccccc1CSc2ccc(=O)[nH]c2 62a_100000211839_100000212171 [0,2,0,0,0,0|2,0,0]=4 5979 B17R2.496 Cc1ccccc1CSc2ccc(=O)[nH]c2 62a_100000212171_100000211839 [0,2,0,0,0,0|2,0,0]=4 5980 B17R2.496 Cc1ccccc1CSc2ccc(cc2)Br 62a_100000211839_100000752885 [0,2,0,0,0,0|1,0,0]=3 5981 B17R2.496 Cc1ccccc1CSc2ccc(cc2)Br 62a_100000752885_100000211839 [0,2,0,0,0,0|1,0,0]=3 5982 B17R2.496 Cc1ccccc1CSc2ccc(cc2)Cl 62a_100000211839_100000755918 [0,2,0,0,0,0|1,0,0]=3 5983 B17R2.496 Cc1ccccc1CSc2ccc(cc2)Cl 62a_100000755918_100000211839 [0,2,0,0,0,0|1,0,0]=3 5984 B17R2.496 Cc1ccccc1CSc2ccc(cc2)F 62a_100000211213_100000211839 [0,2,0,0,0,0|1,0,0]=3 5985 B17R2.496 Cc1ccccc1CSc2ccc(cc2)F 62a_100000211839_100000211213 [0,2,0,0,0,0|1,0,0]=3 5986 B17R2.496 Cc1ccccc1CSc2ccc(cc2)N 62a_100000185761_100000211839 [0,2,0,0,0,0|1,0,0]=3 5987 B17R2.496 Cc1ccccc1CSc2ccc(cc2)N 62a_100000211839_100000185761 [0,2,0,0,0,0|1,0,0]=3 5988 B17R2.496 Cc1ccccc1CSc2ccc(cc2)O 62a_100000211839_100000185759 [0,2,0,0,0,0|1,0,0]=3 5989 B17R2.496 Cc1ccccc1CSc2ccc(cn2)Br 62a_100000211839_100000686858 [0,2,0,0,0,0|2,0,0]=4 5990 B17R2.496 Cc1ccccc1CSc2ccc(cn2)Br 62a_100000686858_100000211839 [0,2,0,0,0,0|2,0,0]=4 5991 B17R2.496 Cc1ccccc1CSc2ccc(cn2)Cl 62a_100000211839_100011356976 [0,2,0,0,0,0|2,0,0]=4 5992 B17R2.496 Cc1ccccc1CSc2ccc(cn2)Cl 62a_100011356976_100000211839 [0,2,0,0,0,0|2,0,0]=4 5993 B17R2.496 Cc1ccccc1CSc2ccc(cn2)F 62a_100000211839_100000744514 [0,2,0,0,0,0|2,0,0]=4 5994 B17R2.496 Cc1ccccc1CSc2ccc(cn2)F 62a_100000744514_100000211839 [0,2,0,0,0,0|2,0,0]=4 5995 B17R2.496 Cc1ccccc1CSc2ccc(cn2)N 62a_100000211839_100000737798 [0,2,0,0,0,0|2,0,0]=4 5996 B17R2.496 Cc1ccccc1CSc2ccc(cn2)N 62a_100000737798_100000211839 [0,2,0,0,0,0|2,0,0]=4 5997 B17R2.496 Cc1ccccc1CSc2ccc(cn2)O 62a_100000211839_100000744096 [0,2,0,0,0,0|2,0,0]=4 5998 B17R2.496 Cc1ccccc1CSc2ccc(cn2)O 62a_100000685995_100000211839 [0,2,0,0,0,0|2,0,0]=4 5999 B17R2.496 Cc1ccccc1CSc2ccc(nc2)Br 62a_100000211839_100009814638 [0,2,0,0,0,0|2,0,0]=4 6000 B17R2.496 Cc1ccccc1CSc2ccc(nc2)Br 62a_100009814638_100000211839 [0,2,0,0,0,0|2,0,0]=4 6001 B17R2.496 Cc1ccccc1CSc2ccc(nc2)Cl 62a_100000034144_100000211839 [0,2,0,0,0,0|2,0,0]=4 6002 B17R2.496 Cc1ccccc1CSc2ccc(nc2)Cl 62a_100000211839_100000034144 [0,2,0,0,0,0|2,0,0]=4 6003 B17R2.496 Cc1ccccc1CSc2ccc(nc2)F 62a_100000042367_100000211839 [0,2,0,0,0,0|2,0,0]=4 6004 B17R2.496 Cc1ccccc1CSc2ccc(nc2)F 62a_100000211839_100000042367 [0,2,0,0,0,0|2,0,0]=4 6005 B17R2.496 Cc1ccccc1CSc2ccc(nc2)N 62a_100000187370_100000211839 [0,2,0,0,0,0|2,0,0]=4 6006 B17R2.496 Cc1ccccc1CSc2ccc(nc2)N 62a_100000211839_100000187370 [0,2,0,0,0,0|2,0,0]=4 6007 B17R2.496 Cc1ccccc1NCc2ccc(cc2)Br 207a_100015192222_100000186029 [0,2,0,0,0,0|2,0,0]=4 6008 B17R2.496 Cc1ccccc1NCc2ccc(cc2)Br 270302a_100015192222_100000186029 [0,2,0,0,0,0|2,0,0]=4 6009 B17R2.496 Cc1ccccc1NCc2ccc(cc2)Br 34a_100015192222_100000189115 [0,2,0,0,0,0|2,0,0]=4 6010 B17R2.496 Cc1ccccc1NCc2ccc(cc2)Cl 207a_100015192222_100000189385 [0,2,0,0,0,0|2,0,0]=4 6011 B17R2.496 Cc1ccccc1NCc2ccc(cc2)Cl 270302a_100015192222_100000189385 [0,2,0,0,0,0|2,0,0]=4 6012 B17R2.496 Cc1ccccc1NCc2ccc(cc2)Cl 34a_100015192222_100000694040 [0,2,0,0,0,0|2,0,0]=4 6013 B17R2.496 Cc1ccccc1NCc2ccc(cc2)F 207a_100015192222_100000210084 [0,2,0,0,0,0|2,0,0]=4 6014 B17R2.496 Cc1ccccc1NCc2ccc(cc2)F 270302a_100015192222_100000210084 [0,2,0,0,0,0|2,0,0]=4 6015 B17R2.496 Cc1ccccc1NCc2ccc(cc2)F 34a_100015192222_100000198546 [0,2,0,0,0,0|2,0,0]=4 6016 B17R2.496 Cc1ccccc1NCc2ccc(cc2)I 207a_100015192222_100000188517 [0,2,0,0,0,0|2,0,0]=4 6017 B17R2.496 Cc1ccccc1NCc2ccc(cc2)I 270302a_100015192222_100000188517 [0,2,0,0,0,0|2,0,0]=4 6018 B17R2.496 Cc1ccccc1NCc2ccc(cc2)I 34a_100015192222_100000189116 [0,2,0,0,0,0|2,0,0]=4 6019 B17R2.496 Cc1ccccc1OCc2ccc(cc2)Br 34a_100000210338_100000189115 [0,2,0,0,0,0|1,1,0]=4 6020 B17R2.496 Cc1ccccc1OCc2ccc(cc2)Br 7a_100000210338_100011217064 [0,2,0,0,0,0|1,1,0]=4 6021 B17R2.496 Cc1ccccc1OCc2ccc(cc2)Cl 34a_100000210338_100000694040 [0,2,0,0,0,0|1,1,0]=4 6022 B17R2.496 Cc1ccccc1OCc2ccc(cc2)Cl 7a_100000210338_100000187161 [0,2,0,0,0,0|1,1,0]=4 6023 B17R2.496 Cc1ccccc1OCc2ccc(cc2)F 34a_100000210338_100000198546 [0,2,0,0,0,0|1,1,0]=4 6024 B17R2.496 Cc1ccccc1OCc2ccc(cc2)F 7a_100000210338_100000198546 [0,2,0,0,0,0|1,1,0]=4 6025 B17R2.496 Cc1ccccc1OCc2ccc(cc2)I 34a_100000210338_100000189116 [0,2,0,0,0,0|1,1,0]=4 6026 B17R2.496 Cc1ccccc1OCc2ccc(cc2)I 7a_100000210338_100000189116 [0,2,0,0,0,0|1,1,0]=4 6027 B17R2.496 Cc1ccccc1SCc2ccc(cc2)Br 62a_100000189115_100000210755 [0,2,0,0,0,0|1,0,0]=3 6028 B17R2.496 Cc1ccccc1SCc2ccc(cc2)Br 62a_100000210755_100000189115 [0,2,0,0,0,0|1,0,0]=3 6029 B17R2.496 Cc1ccccc1SCc2ccc(cc2)Cl 62a_100000187161_100000210755 [0,2,0,0,0,0|1,0,0]=3 6030 B17R2.496 Cc1ccccc1SCc2ccc(cc2)Cl 62a_100000210755_100000187161 [0,2,0,0,0,0|1,0,0]=3 6031 B17R2.496 Cc1ccccc1SCc2ccc(cc2)F 62a_100000198546_100000210755 [0,2,0,0,0,0|1,0,0]=3 6032 B17R2.496 Cc1ccccc1SCc2ccc(cc2)F 62a_100000210755_100000187164 [0,2,0,0,0,0|1,0,0]=3 6033 B17R2.496 Cc1ccccc1SCc2ccc(cc2)I 62a_100000189116_100000210755 [0,2,0,0,0,0|1,0,0]=3 6034 B17R2.496 Cc1ccccc1SCc2ccc(cc2)I 62a_100000210755_100000189116 [0,2,0,0,0,0|1,0,0]=3 6035 B17R2.496 Cc1ccccc1SCc2ccc(cn2)Br 62a_100000210755_100000702658 [0,2,0,0,0,0|2,0,0]=4 6036 B17R2.496 Cc1ccccc1SCc2ccc(cn2)Br 62a_100000702658_100000210755 [0,2,0,0,0,0|2,0,0]=4 6037 B17R2.496 Cc1ccccc1SCc2ccc(cn2)Cl 62a_100000210755_100000697101 [0,2,0,0,0,0|2,0,0]=4 6038 B17R2.496 Cc1ccccc1SCc2ccc(cn2)Cl 62a_100012066911_100000210755 [0,2,0,0,0,0|2,0,0]=4 6039 B17R2.496 Cc1ccccc1SCc2ccc(cn2)F 62a_100000210755_100000703193 [0,2,0,0,0,0|2,0,0]=4 6040 B17R2.496 Cc1ccccc1SCc2ccc(cn2)F 62a_100000703193_100000210755 [0,2,0,0,0,0|2,0,0]=4 6041 B17R2.496 Cc1ccccc1SCc2ccc(nc2)Br 62a_100000210755_100009831999 [0,2,0,0,0,0|2,0,0]=4 6042 B17R2.496 Cc1ccccc1SCc2ccc(nc2)Br 62a_100009831999_100000210755 [0,2,0,0,0,0|2,0,0]=4 6043 B17R2.496 Cc1ccccc1SCc2ccc(nc2)Cl 62a_100000210755_100000735431 [0,2,0,0,0,0|2,0,0]=4 6044 B17R2.496 Cc1ccccc1SCc2ccc(nc2)Cl 62a_100000735431_100000210755 [0,2,0,0,0,0|2,0,0]=4 6045 B17R2.496 Cc1ccccc1SCc2ccc(nc2)F 62a_100000210755_100000099788 [0,2,0,0,0,0|2,0,0]=4 6046 B17R2.496 Cc1ccccc1SCc2ccc(nc2)F 62a_100009820150_100000210755 [0,2,0,0,0,0|2,0,0]=4 6047 B17R2.496 Cc1cccnc1CSc2ccc(cc2)Br 62a_100000696600_100000752885 [0,2,0,0,0,0|2,0,0]=4 6048 B17R2.496 Cc1cccnc1CSc2ccc(cc2)Br 62a_100000752885_100000696600 [0,2,0,0,0,0|2,0,0]=4 6049 B17R2.496 Cc1cccnc1CSc2ccc(cc2)Cl 62a_100000696600_100000755918 [0,2,0,0,0,0|2,0,0]=4 6050 B17R2.496 Cc1cccnc1CSc2ccc(cc2)Cl 62a_100000755918_100000696600 [0,2,0,0,0,0|2,0,0]=4 6051 B17R2.496 Cc1cccnc1CSc2ccc(cc2)F 62a_100000211213_100000696600 [0,2,0,0,0,0|2,0,0]=4 6052 B17R2.496 Cc1cccnc1CSc2ccc(cc2)F 62a_100000696600_100000211213 [0,2,0,0,0,0|2,0,0]=4 6053 B17R2.496 Cc1cccnc1CSc2ccc(cc2)N 62a_100000185761_100000696600 [0,2,0,0,0,0|2,0,0]=4 6054 B17R2.496 Cc1cccnc1CSc2ccc(cc2)N 62a_100000696600_100000185761 [0,2,0,0,0,0|2,0,0]=4 6055 B17R2.496 Cc1cccnc1CSc2ccc(cc2)O 62a_100000696600_100000185759 [0,2,0,0,0,0|2,0,0]=4 6056 B17R2.496 Cc1cccnc1SCc2ccc(cc2)Br 62a_100000189115_100000751373 [0,2,0,0,0,0|2,0,0]=4 6057 B17R2.496 Cc1cccnc1SCc2ccc(cc2)Br 62a_100000751373_100000189115 [0,2,0,0,0,0|2,0,0]=4 6058 B17R2.496 Cc1cccnc1SCc2ccc(cc2)Cl 62a_100000187161_100000751373 [0,2,0,0,0,0|2,0,0]=4 6059 B17R2.496 Cc1cccnc1SCc2ccc(cc2)Cl 62a_100000751373_100000187161 [0,2,0,0,0,0|2,0,0]=4 6060 B17R2.496 Cc1cccnc1SCc2ccc(cc2)F 62a_100000198546_100000751373 [0,2,0,0,0,0|2,0,0]=4 6061 B17R2.496 Cc1cccnc1SCc2ccc(cc2)F 62a_100000751373_100000187164 [0,2,0,0,0,0|2,0,0]=4 6062 B17R2.496 Cc1cccnc1SCc2ccc(cc2)I 62a_100000189116_100000751373 [0,2,0,0,0,0|2,0,0]=4 6063 B17R2.496 Cc1cccnc1SCc2ccc(cc2)I 62a_100000751373_100000189116 [0,2,0,0,0,0|2,0,0]=4 6064 B17R2.496 Cc1ccncc1CSc2ccc(cc2)Br 62a_100000690890_100000752885 [0,2,0,0,0,0|2,0,0]=4 6065 B17R2.496 Cc1ccncc1CSc2ccc(cc2)Br 62a_100000752885_100000690890 [0,2,0,0,0,0|2,0,0]=4 6066 B17R2.496 Cc1ccncc1CSc2ccc(cc2)Cl 62a_100000690890_100000755918 [0,2,0,0,0,0|2,0,0]=4 6067 B17R2.496 Cc1ccncc1CSc2ccc(cc2)Cl 62a_100000755918_100000690890 [0,2,0,0,0,0|2,0,0]=4 6068 B17R2.496 Cc1ccncc1CSc2ccc(cc2)F 62a_100000211213_100000690890 [0,2,0,0,0,0|2,0,0]=4 6069 B17R2.496 Cc1ccncc1CSc2ccc(cc2)F 62a_100000690890_100000211213 [0,2,0,0,0,0|2,0,0]=4 6070 B17R2.496 Cc1ccncc1CSc2ccc(cc2)N 62a_100000185761_100000690890 [0,2,0,0,0,0|2,0,0]=4 6071 B17R2.496 Cc1ccncc1CSc2ccc(cc2)N 62a_100000690890_100000185761 [0,2,0,0,0,0|2,0,0]=4 6072 B17R2.496 Cc1ccncc1CSc2ccc(cc2)O 62a_100000690890_100000185759 [0,2,0,0,0,0|2,0,0]=4 6073 B17R2.496 Cc1ccncc1SCc2ccc(cc2)Br 62a_100000189115_100000761580 [0,2,0,0,0,0|2,0,0]=4 6074 B17R2.496 Cc1ccncc1SCc2ccc(cc2)Br 62a_100000761580_100000189115 [0,2,0,0,0,0|2,0,0]=4 6075 B17R2.496 Cc1ccncc1SCc2ccc(cc2)Cl 62a_100000187161_100000761580 [0,2,0,0,0,0|2,0,0]=4 6076 B17R2.496 Cc1ccncc1SCc2ccc(cc2)Cl 62a_100000761580_100000187161 [0,2,0,0,0,0|2,0,0]=4 6077 B17R2.496 Cc1ccncc1SCc2ccc(cc2)F 62a_100000198546_100000761580 [0,2,0,0,0,0|2,0,0]=4 6078 B17R2.496 Cc1ccncc1SCc2ccc(cc2)F 62a_100000761580_100000187164 [0,2,0,0,0,0|2,0,0]=4 6079 B17R2.496 Cc1ccncc1SCc2ccc(cc2)I 62a_100000189116_100000761580 [0,2,0,0,0,0|2,0,0]=4 6080 B17R2.496 Cc1ccncc1SCc2ccc(cc2)I 62a_100000761580_100000189116 [0,2,0,0,0,0|2,0,0]=4 6081 B17R2.496 Cc1cnccc1CSc2ccc(cc2)Br 62a_100000752885_100020672808 [0,2,0,0,0,0|2,0,0]=4 6082 B17R2.496 Cc1cnccc1CSc2ccc(cc2)Br 62a_100020672808_100000752885 [0,2,0,0,0,0|2,0,0]=4 6083 B17R2.496 Cc1cnccc1CSc2ccc(cc2)Cl 62a_100000755918_100020672808 [0,2,0,0,0,0|2,0,0]=4 6084 B17R2.496 Cc1cnccc1CSc2ccc(cc2)Cl 62a_100020672808_100000755918 [0,2,0,0,0,0|2,0,0]=4 6085 B17R2.496 Cc1cnccc1CSc2ccc(cc2)F 62a_100000211213_100020672808 [0,2,0,0,0,0|2,0,0]=4 6086 B17R2.496 Cc1cnccc1CSc2ccc(cc2)F 62a_100020672808_100000211213 [0,2,0,0,0,0|2,0,0]=4 6087 B17R2.496 Cc1cnccc1CSc2ccc(cc2)N 62a_100000185761_100020672808 [0,2,0,0,0,0|2,0,0]=4 6088 B17R2.496 Cc1cnccc1CSc2ccc(cc2)N 62a_100020672808_100000185761 [0,2,0,0,0,0|2,0,0]=4 6089 B17R2.496 Cc1cnccc1CSc2ccc(cc2)O 62a_100020672808_100000185759 [0,2,0,0,0,0|2,0,0]=4 6090 B17R2.496 Cc1cnccc1SCc2ccc(cc2)Br 62a_100000189115_100000765111 [0,2,0,0,0,0|2,0,0]=4 6091 B17R2.496 Cc1cnccc1SCc2ccc(cc2)Br 62a_100000765111_100000189115 [0,2,0,0,0,0|2,0,0]=4 6092 B17R2.496 Cc1cnccc1SCc2ccc(cc2)Cl 62a_100000187161_100000765111 [0,2,0,0,0,0|2,0,0]=4 6093 B17R2.496 Cc1cnccc1SCc2ccc(cc2)Cl 62a_100000765111_100000187161 [0,2,0,0,0,0|2,0,0]=4 6094 B17R2.496 Cc1cnccc1SCc2ccc(cc2)F 62a_100000198546_100000765111 [0,2,0,0,0,0|2,0,0]=4 6095 B17R2.496 Cc1cnccc1SCc2ccc(cc2)F 62a_100000765111_100000187164 [0,2,0,0,0,0|2,0,0]=4 6096 B17R2.496 Cc1cnccc1SCc2ccc(cc2)I 62a_100000189116_100000765111 [0,2,0,0,0,0|2,0,0]=4 6097 B17R2.496 Cc1cnccc1SCc2ccc(cc2)I 62a_100000765111_100000189116 [0,2,0,0,0,0|2,0,0]=4 6098 B17R2.496 Cc1ncccc1CSc2ccc(cc2)Br 62a_100000732876_100000752885 [0,2,0,0,0,0|2,0,0]=4 6099 B17R2.496 Cc1ncccc1CSc2ccc(cc2)Br 62a_100000752885_100000732876 [0,2,0,0,0,0|2,0,0]=4 6100 B17R2.496 Cc1ncccc1CSc2ccc(cc2)Cl 62a_100000732876_100000755918 [0,2,0,0,0,0|2,0,0]=4 6101 B17R2.496 Cc1ncccc1CSc2ccc(cc2)Cl 62a_100000755918_100000732876 [0,2,0,0,0,0|2,0,0]=4 6102 B17R2.496 Cc1ncccc1CSc2ccc(cc2)F 62a_100000211213_100000732876 [0,2,0,0,0,0|2,0,0]=4 6103 B17R2.496 Cc1ncccc1CSc2ccc(cc2)F 62a_100000732876_100000211213 [0,2,0,0,0,0|2,0,0]=4 6104 B17R2.496 Cc1ncccc1CSc2ccc(cc2)N 62a_100000185761_100000732876 [0,2,0,0,0,0|2,0,0]=4 6105 B17R2.496 Cc1ncccc1CSc2ccc(cc2)N 62a_100000732876_100000185761 [0,2,0,0,0,0|2,0,0]=4 6106 B17R2.496 Cc1ncccc1CSc2ccc(cc2)O 62a_100000732876_100000185759 [0,2,0,0,0,0|2,0,0]=4 6107 B17R2.496 Cc1ncccc1SCc2ccc(cc2)Br 62a_100000189115_100000751574 [0,2,0,0,0,0|2,0,0]=4 6108 B17R2.496 Cc1ncccc1SCc2ccc(cc2)Br 62a_100000751574_100000189115 [0,2,0,0,0,0|2,0,0]=4 6109 B17R2.496 Cc1ncccc1SCc2ccc(cc2)Cl 62a_100000187161_100000751574 [0,2,0,0,0,0|2,0,0]=4 6110 B17R2.496 Cc1ncccc1SCc2ccc(cc2)Cl 62a_100000751574_100000187161 [0,2,0,0,0,0|2,0,0]=4 6111 B17R2.496 Cc1ncccc1SCc2ccc(cc2)F 62a_100000198546_100000751574 [0,2,0,0,0,0|2,0,0]=4 6112 B17R2.496 Cc1ncccc1SCc2ccc(cc2)F 62a_100000751574_100000187164 [0,2,0,0,0,0|2,0,0]=4 6113 B17R2.496 Cc1ncccc1SCc2ccc(cc2)I 62a_100000189116_100000751574 [0,2,0,0,0,0|2,0,0]=4 6114 B17R2.496 Cc1ncccc1SCc2ccc(cc2)I 62a_100000751574_100000189116 [0,2,0,0,0,0|2,0,0]=4 6115 B17R2.496 Clc1ccc(cc1)C=Cc2ccccc2Br 271570a_100102527930_100000695589 [0,2,0,0,0,0|2,0,0]=4 6116 B17R2.496 Clc1ccc(cc1)C=Cc2ccccc2Cl 271570a_100102527930_100000764095 [0,2,0,0,0,0|2,0,0]=4 6117 B17R2.496 Clc1ccc(cc1)CNc2ccccc2Br 207a_100000210017_100000189385 [0,2,0,0,0,0|2,0,0]=4 6118 B17R2.496 Clc1ccc(cc1)CNc2ccccc2Br 34a_100000210017_100000694040 [0,2,0,0,0,0|2,0,0]=4 6119 B17R2.496 Clc1ccc(cc1)CNc2ccccc2Cl 207a_100000185783_100000189385 [0,2,0,0,0,0|2,0,0]=4 6120 B17R2.496 Clc1ccc(cc1)CNc2ccccc2Cl 34a_100000185783_100000694040 [0,2,0,0,0,0|2,0,0]=4 6121 B17R2.496 Clc1ccc(cc1)CNc2ccccc2I 207a_100000210053_100000189385 [0,2,0,0,0,0|2,0,0]=4 6122 B17R2.496 Clc1ccc(cc1)CNc2ccccc2I 34a_100000210053_100000694040 [0,2,0,0,0,0|2,0,0]=4 6123 B17R2.496 Clc1ccc(cc1)COc2ccccc2Br 34a_100000181306_100000694040 [0,2,0,0,0,0|1,1,0]=4 6124 B17R2.496 Clc1ccc(cc1)COc2ccccc2Br 7a_100000181306_100000187161 [0,2,0,0,0,0|1,1,0]=4 6125 B17R2.496 Clc1ccc(cc1)COc2ccccc2Cl 34a_100000210172_100000694040 [0,2,0,0,0,0|1,1,0]=4 6126 B17R2.496 Clc1ccc(cc1)COc2ccccc2Cl 7a_100000210172_100000187161 [0,2,0,0,0,0|1,1,0]=4 6127 B17R2.496 Clc1ccc(cc1)COc2ccccc2I 34a_100000739446_100000694040 [0,2,0,0,0,0|1,1,0]=4 6128 B17R2.496 Clc1ccc(cc1)COc2ccccc2I 7a_100000739446_100000187161 [0,2,0,0,0,0|1,1,0]=4 6129 B17R2.496 Clc1ccc(cc1)CSc2ccccc2Br 62a_100000187161_100000695589 [0,2,0,0,0,0|1,0,0]=3 6130 B17R2.496 Clc1ccc(cc1)CSc2ccccc2Br 62a_100000695589_100000187161 [0,2,0,0,0,0|1,0,0]=3 6131 B17R2.496 Clc1ccc(cc1)CSc2ccccc2Cl 62a_100000187161_100000764095 [0,2,0,0,0,0|1,0,0]=3 6132 B17R2.496 Clc1ccc(cc1)CSc2ccccc2Cl 62a_100000764095_100000187161 [0,2,0,0,0,0|1,0,0]=3 6133 B17R2.496 Clc1ccc(cc1)CSc2cccnc2Br 62a_100000187161_100010202626 [0,2,0,0,0,0|2,0,0]=4 6134 B17R2.496 Clc1ccc(cc1)CSc2cccnc2Br 62a_100010202626_100000187161 [0,2,0,0,0,0|2,0,0]=4 6135 B17R2.496 Clc1ccc(cc1)CSc2cccnc2Cl 62a_100000036424_100000187161 [0,2,0,0,0,0|2,0,0]=4 6136 B17R2.496 Clc1ccc(cc1)CSc2cccnc2Cl 62a_100000187161_100000036424 [0,2,0,0,0,0|2,0,0]=4 6137 B17R2.496 Clc1ccc(cc1)CSc2ccncc2Br 62a_100000187161_100000726257 [0,2,0,0,0,0|2,0,0]=4 6138 B17R2.496 Clc1ccc(cc1)CSc2ccncc2Br 62a_100000726257_100000187161 [0,2,0,0,0,0|2,0,0]=4 6139 B17R2.496 Clc1ccc(cc1)CSc2ccncc2Cl 62a_100000187161_100000708259 [0,2,0,0,0,0|2,0,0]=4 6140 B17R2.496 Clc1ccc(cc1)CSc2ccncc2Cl 62a_100000708259_100000187161 [0,2,0,0,0,0|2,0,0]=4 6141 B17R2.496 Clc1ccc(cc1)CSc2cnccc2Br 62a_100000187161_100010138639 [0,2,0,0,0,0|2,0,0]=4 6142 B17R2.496 Clc1ccc(cc1)CSc2cnccc2Br 62a_100010138639_100000187161 [0,2,0,0,0,0|2,0,0]=4 6143 B17R2.496 Clc1ccc(cc1)CSc2cnccc2Cl 62a_100000187161_100009995489 [0,2,0,0,0,0|2,0,0]=4 6144 B17R2.496 Clc1ccc(cc1)CSc2cnccc2Cl 62a_100009995489_100000187161 [0,2,0,0,0,0|2,0,0]=4 6145 B17R2.496 Clc1ccc(cc1)CSc2ncccc2Br 62a_100000187161_100000696092 [0,2,0,0,0,0|2,0,0]=4 6146 B17R2.496 Clc1ccc(cc1)CSc2ncccc2Br 62a_100000696092_100000187161 [0,2,0,0,0,0|2,0,0]=4 6147 B17R2.496 Clc1ccc(cc1)CSc2ncccc2Cl 62a_100000187161_100011356963 [0,2,0,0,0,0|2,0,0]=4 6148 B17R2.496 Clc1ccc(cc1)CSc2ncccc2Cl 62a_100011356963_100000187161 [0,2,0,0,0,0|2,0,0]=4 6149 B17R2.496 Clc1ccc(cc1)NCc2ccccc2Br 207a_100000210052_100000211189 [0,2,0,0,0,0|2,0,0]=4 6150 B17R2.496 Clc1ccc(cc1)NCc2ccccc2Br 2230a_100000210052_100000184730 [0,2,0,0,0,0|2,0,0]=4 6151 B17R2.496 Clc1ccc(cc1)NCc2ccccc2Br 270302a_100000210052_100000211189 [0,2,0,0,0,0|2,0,0]=4 6152 B17R2.496 Clc1ccc(cc1)NCc2ccccc2Br 34a_100000210052_100000184730 [0,2,0,0,0,0|2,0,0]=4 6153 B17R2.496 Clc1ccc(cc1)NCc2ccccc2Cl 207a_100000210052_100000210073 [0,2,0,0,0,0|2,0,0]=4 6154 B17R2.496 Clc1ccc(cc1)NCc2ccccc2Cl 2230a_100000210052_100000187162 [0,2,0,0,0,0|2,0,0]=4 6155 B17R2.496 Clc1ccc(cc1)NCc2ccccc2Cl 270302a_100000210052_100000210073 [0,2,0,0,0,0|2,0,0]=4 6156 B17R2.496 Clc1ccc(cc1)NCc2ccccc2Cl 34a_100000210052_100000187162 [0,2,0,0,0,0|2,0,0]=4 6157 B17R2.496 Clc1ccc(cc1)NCc2ccccc2I 207a_100000210052_100000010305 [0,2,0,0,0,0|2,0,0]=4 6158 B17R2.496 Clc1ccc(cc1)NCc2ccccc2I 2230a_100000210052_100011215278 [0,2,0,0,0,0|2,0,0]=4 6159 B17R2.496 Clc1ccc(cc1)NCc2ccccc2I 34a_100000210052_100011215278 [0,2,0,0,0,0|2,0,0]=4 6160 B17R2.496 Clc1ccc(cc1)OCc2ccccc2Br 34a_100000210216_100000184730 [0,2,0,0,0,0|1,1,0]=4 6161 B17R2.496 Clc1ccc(cc1)OCc2ccccc2Br 7a_100000210216_100000184730 [0,2,0,0,0,0|1,1,0]=4 6162 B17R2.496 Clc1ccc(cc1)OCc2ccccc2Cl 34a_100000210216_100000187162 [0,2,0,0,0,0|1,1,0]=4 6163 B17R2.496 Clc1ccc(cc1)OCc2ccccc2Cl 7a_100000210216_100000187162 [0,2,0,0,0,0|1,1,0]=4 6164 B17R2.496 Clc1ccc(cc1)OCc2ccccc2I 34a_100000210216_100011215278 [0,2,0,0,0,0|1,1,0]=4 6165 B17R2.496 Clc1ccc(cc1)OCc2ccccc2I 7a_100000210216_100011215278 [0,2,0,0,0,0|1,1,0]=4 6166 B17R2.496 Clc1ccc(cc1)SCc2ccccc2Br 62a_100000184730_100000755918 [0,2,0,0,0,0|1,0,0]=3 6167 B17R2.496 Clc1ccc(cc1)SCc2ccccc2Br 62a_100000755918_100000184730 [0,2,0,0,0,0|1,0,0]=3 6168 B17R2.496 Clc1ccc(cc1)SCc2ccccc2Cl 62a_100000187162_100000755918 [0,2,0,0,0,0|1,0,0]=3 6169 B17R2.496 Clc1ccc(cc1)SCc2ccccc2Cl 62a_100000755918_100000187162 [0,2,0,0,0,0|1,0,0]=3 6170 B17R2.496 Clc1ccc(cc1)SCc2ccccc2I 62a_100000755918_100011216222 [0,2,0,0,0,0|1,0,0]=3 6171 B17R2.496 Clc1ccc(cc1)SCc2ccccc2I 62a_100011216222_100000755918 [0,2,0,0,0,0|1,0,0]=3 6172 B17R2.496 Clc1ccc(cc1)SCc2cccnc2Br 62a_100000755918_100010140945 [0,2,0,0,0,0|2,0,0]=4 6173 B17R2.496 Clc1ccc(cc1)SCc2cccnc2Br 62a_100010140945_100000755918 [0,2,0,0,0,0|2,0,0]=4 6174 B17R2.496 Clc1ccc(cc1)SCc2cccnc2Cl 62a_100000045678_100000755918 [0,2,0,0,0,0|2,0,0]=4 6175 B17R2.496 Clc1ccc(cc1)SCc2cccnc2Cl 62a_100000755918_100000045678 [0,2,0,0,0,0|2,0,0]=4 6176 B17R2.496 Clc1ccc(cc1)SCc2ccncc2Cl 62a_100000755918_100000763264 [0,2,0,0,0,0|2,0,0]=4 6177 B17R2.496 Clc1ccc(cc1)SCc2ccncc2Cl 62a_100000763264_100000755918 [0,2,0,0,0,0|2,0,0]=4 6178 B17R2.496 Clc1ccc(cc1)SCc2ncccc2Br 62a_100000755918_100025702911 [0,2,0,0,0,0|2,0,0]=4 6179 B17R2.496 Clc1ccc(cc1)SCc2ncccc2Br 62a_100025702911_100000755918 [0,2,0,0,0,0|2,0,0]=4 6180 B17R2.496 Clc1ccc(cc1)SCc2ncccc2Cl 62a_100000099807_100000755918 [0,2,0,0,0,0|2,0,0]=4 6181 B17R2.496 Clc1ccc(cc1)SCc2ncccc2Cl 62a_100000755918_100000099807 [0,2,0,0,0,0|2,0,0]=4 6182 B17R2.496 Clc1ccc(cn1)CSc2ccccc2Br 62a_100000695589_100000735431 [0,2,0,0,0,0|2,0,0]=4 6183 B17R2.496 Clc1ccc(cn1)CSc2ccccc2Br 62a_100000735431_100000695589 [0,2,0,0,0,0|2,0,0]=4 6184 B17R2.496 Clc1ccc(cn1)CSc2ccccc2Cl 62a_100000735431_100000764095 [0,2,0,0,0,0|2,0,0]=4 6185 B17R2.496 Clc1ccc(cn1)CSc2ccccc2Cl 62a_100000764095_100000735431 [0,2,0,0,0,0|2,0,0]=4 6186 B17R2.496 Clc1ccc(cn1)SCc2ccccc2Br 62a_100000034144_100000184730 [0,2,0,0,0,0|2,0,0]=4 6187 B17R2.496 Clc1ccc(cn1)SCc2ccccc2Br 62a_100000184730_100000034144 [0,2,0,0,0,0|2,0,0]=4 6188 B17R2.496 Clc1ccc(cn1)SCc2ccccc2Cl 62a_100000034144_100000187162 [0,2,0,0,0,0|2,0,0]=4 6189 B17R2.496 Clc1ccc(cn1)SCc2ccccc2Cl 62a_100000187162_100000034144 [0,2,0,0,0,0|2,0,0]=4 6190 B17R2.496 Clc1ccc(cn1)SCc2ccccc2I 62a_100000034144_100011216222 [0,2,0,0,0,0|2,0,0]=4 6191 B17R2.496 Clc1ccc(cn1)SCc2ccccc2I 62a_100011216222_100000034144 [0,2,0,0,0,0|2,0,0]=4 6192 B17R2.496 Clc1ccc(nc1)CSc2ccccc2Br 62a_100000695589_100000697101 [0,2,0,0,0,0|2,0,0]=4 6193 B17R2.496 Clc1ccc(nc1)CSc2ccccc2Br 62a_100012066911_100000695589 [0,2,0,0,0,0|2,0,0]=4 6194 B17R2.496 Clc1ccc(nc1)CSc2ccccc2Cl 62a_100000764095_100000697101 [0,2,0,0,0,0|2,0,0]=4 6195 B17R2.496 Clc1ccc(nc1)CSc2ccccc2Cl 62a_100012066911_100000764095 [0,2,0,0,0,0|2,0,0]=4 6196 B17R2.496 Clc1ccc(nc1)SCc2ccccc2Br 62a_100000184730_100011356976 [0,2,0,0,0,0|2,0,0]=4 6197 B17R2.496 Clc1ccc(nc1)SCc2ccccc2Br 62a_100011356976_100000184730 [0,2,0,0,0,0|2,0,0]=4 6198 B17R2.496 Clc1ccc(nc1)SCc2ccccc2Cl 62a_100000187162_100011356976 [0,2,0,0,0,0|2,0,0]=4 6199 B17R2.496 Clc1ccc(nc1)SCc2ccccc2Cl 62a_100011356976_100000187162 [0,2,0,0,0,0|2,0,0]=4 6200 B17R2.496 Clc1ccc(nc1)SCc2ccccc2I 62a_100011216222_100011356976 [0,2,0,0,0,0|2,0,0]=4 6201 B17R2.496 Clc1ccc(nc1)SCc2ccccc2I 62a_100011356976_100011216222 [0,2,0,0,0,0|2,0,0]=4 6202 B17R2.496 Clc1ccccc1C=Cc2ccc(cc2)Br 271570a_100102527914_100000764095 [0,2,0,0,0,0|2,0,0]=4 6203 B17R2.496 Clc1ccccc1CNc2ccc(cc2)Br 207a_100000210018_100000210073 [0,2,0,0,0,0|2,0,0]=4 6204 B17R2.496 Clc1ccccc1CNc2ccc(cc2)Br 2230a_100000210018_100000187162 [0,2,0,0,0,0|2,0,0]=4 6205 B17R2.496 Clc1ccccc1CNc2ccc(cc2)Br 270302a_100000210018_100000210073 [0,2,0,0,0,0|2,0,0]=4 6206 B17R2.496 Clc1ccccc1CNc2ccc(cc2)Br 34a_100000210018_100000187162 [0,2,0,0,0,0|2,0,0]=4 6207 B17R2.496 Clc1ccccc1CNc2ccc(cc2)I 207a_100000185761_100000210073 [0,2,0,0,0,0|2,0,0]=4 6208 B17R2.496 Clc1ccccc1CNc2ccc(cc2)I 270302a_100000185761_100000210073 [0,2,0,0,0,0|2,0,0]=4 6209 B17R2.496 Clc1ccccc1CNc2ccc(cc2)I 34a_100000185761_100000187162 [0,2,0,0,0,0|2,0,0]=4 6210 B17R2.496 Clc1ccccc1COc2ccc(cc2)Br 34a_100000185759_100000187162 [0,2,0,0,0,0|1,1,0]=4 6211 B17R2.496 Clc1ccccc1COc2ccc(cc2)Br 7a_100000185759_100000187162 [0,2,0,0,0,0|1,1,0]=4 6212 B17R2.496 Clc1ccccc1COc2ccc(cc2)I 34a_100000212066_100000187162 [0,2,0,0,0,0|1,1,0]=4 6213 B17R2.496 Clc1ccccc1COc2ccc(cc2)I 7a_100000212066_100000187162 [0,2,0,0,0,0|1,1,0]=4 6214 B17R2.496 Clc1ccccc1CSc2ccc(cc2)Br 62a_100000187162_100000752885 [0,2,0,0,0,0|1,0,0]=3 6215 B17R2.496 Clc1ccccc1CSc2ccc(cc2)Br 62a_100000752885_100000187162 [0,2,0,0,0,0|1,0,0]=3 6216 B17R2.496 Clc1ccccc1CSc2ccc(cn2)Br 62a_100000187162_100000686858 [0,2,0,0,0,0|2,0,0]=4 6217 B17R2.496 Clc1ccccc1CSc2ccc(cn2)Br 62a_100000686858_100000187162 [0,2,0,0,0,0|2,0,0]=4 6218 B17R2.496 Clc1ccccc1CSc2ccc(nc2)Br 62a_100000187162_100009814638 [0,2,0,0,0,0|2,0,0]=4 6219 B17R2.496 Clc1ccccc1CSc2ccc(nc2)Br 62a_100009814638_100000187162 [0,2,0,0,0,0|2,0,0]=4 6220 B17R2.496 Clc1ccccc1NCc2ccc(cc2)Br 207a_100000185783_100000186029 [0,2,0,0,0,0|2,0,0]=4 6221 B17R2.496 Clc1ccccc1NCc2ccc(cc2)Br 34a_100000185783_100000189115 [0,2,0,0,0,0|2,0,0]=4 6222 B17R2.496 Clc1ccccc1NCc2ccc(cc2)I 207a_100000185783_100000188517 [0,2,0,0,0,0|2,0,0]=4 6223 B17R2.496 Clc1ccccc1NCc2ccc(cc2)I 34a_100000185783_100000189116 [0,2,0,0,0,0|2,0,0]=4 6224 B17R2.496 Clc1ccccc1OCc2ccc(cc2)Br 34a_100000210172_100000189115 [0,2,0,0,0,0|1,1,0]=4 6225 B17R2.496 Clc1ccccc1OCc2ccc(cc2)Br 7a_100000210172_100011217064 [0,2,0,0,0,0|1,1,0]=4 6226 B17R2.496 Clc1ccccc1OCc2ccc(cc2)I 34a_100000210172_100000189116 [0,2,0,0,0,0|1,1,0]=4 6227 B17R2.496 Clc1ccccc1OCc2ccc(cc2)I 7a_100000210172_100000189116 [0,2,0,0,0,0|1,1,0]=4 6228 B17R2.496 Clc1ccccc1SCc2ccc(cc2)Br 62a_100000189115_100000764095 [0,2,0,0,0,0|1,0,0]=3 6229 B17R2.496 Clc1ccccc1SCc2ccc(cc2)Br 62a_100000764095_100000189115 [0,2,0,0,0,0|1,0,0]=3 6230 B17R2.496 Clc1ccccc1SCc2ccc(cc2)I 62a_100000189116_100000764095 [0,2,0,0,0,0|1,0,0]=3 6231 B17R2.496 Clc1ccccc1SCc2ccc(cc2)I 62a_100000764095_100000189116 [0,2,0,0,0,0|1,0,0]=3 6232 B17R2.496 Clc1ccccc1SCc2ccc(cn2)Br 62a_100000702658_100000764095 [0,2,0,0,0,0|2,0,0]=4 6233 B17R2.496 Clc1ccccc1SCc2ccc(cn2)Br 62a_100000764095_100000702658 [0,2,0,0,0,0|2,0,0]=4 6234 B17R2.496 Clc1ccccc1SCc2ccc(nc2)Br 62a_100000764095_100009831999 [0,2,0,0,0,0|2,0,0]=4 6235 B17R2.496 Clc1ccccc1SCc2ccc(nc2)Br 62a_100009831999_100000764095 [0,2,0,0,0,0|2,0,0]=4 6236 B17R2.496 Clc1cccnc1CSc2ccc(cc2)Br 62a_100000099807_100000752885 [0,2,0,0,0,0|2,0,0]=4 6237 B17R2.496 Clc1cccnc1CSc2ccc(cc2)Br 62a_100000752885_100000099807 [0,2,0,0,0,0|2,0,0]=4 6238 B17R2.496 Clc1cccnc1SCc2ccc(cc2)Br 62a_100000189115_100011356963 [0,2,0,0,0,0|2,0,0]=4 6239 B17R2.496 Clc1cccnc1SCc2ccc(cc2)Br 62a_100011356963_100000189115 [0,2,0,0,0,0|2,0,0]=4 6240 B17R2.496 Clc1cccnc1SCc2ccc(cc2)I 62a_100000189116_100011356963 [0,2,0,0,0,0|2,0,0]=4 6241 B17R2.496 Clc1cccnc1SCc2ccc(cc2)I 62a_100011356963_100000189116 [0,2,0,0,0,0|2,0,0]=4 6242 B17R2.496 Clc1ccncc1SCc2ccc(cc2)Br 62a_100000189115_100009995489 [0,2,0,0,0,0|2,0,0]=4 6243 B17R2.496 Clc1ccncc1SCc2ccc(cc2)Br 62a_100009995489_100000189115 [0,2,0,0,0,0|2,0,0]=4 6244 B17R2.496 Clc1ccncc1SCc2ccc(cc2)I 62a_100000189116_100009995489 [0,2,0,0,0,0|2,0,0]=4 6245 B17R2.496 Clc1ccncc1SCc2ccc(cc2)I 62a_100009995489_100000189116 [0,2,0,0,0,0|2,0,0]=4 6246 B17R2.496 Clc1cnccc1CSc2ccc(cc2)Br 62a_100000752885_100000763264 [0,2,0,0,0,0|2,0,0]=4 6247 B17R2.496 Clc1cnccc1CSc2ccc(cc2)Br 62a_100000763264_100000752885 [0,2,0,0,0,0|2,0,0]=4 6248 B17R2.496 Clc1cnccc1SCc2ccc(cc2)Br 62a_100000189115_100000708259 [0,2,0,0,0,0|2,0,0]=4 6249 B17R2.496 Clc1cnccc1SCc2ccc(cc2)Br 62a_100000708259_100000189115 [0,2,0,0,0,0|2,0,0]=4 6250 B17R2.496 Clc1cnccc1SCc2ccc(cc2)I 62a_100000189116_100000708259 [0,2,0,0,0,0|2,0,0]=4 6251 B17R2.496 Clc1cnccc1SCc2ccc(cc2)I 62a_100000708259_100000189116 [0,2,0,0,0,0|2,0,0]=4 6252 B17R2.496 Clc1ncccc1CSc2ccc(cc2)Br 62a_100000045678_100000752885 [0,2,0,0,0,0|2,0,0]=4 6253 B17R2.496 Clc1ncccc1CSc2ccc(cc2)Br 62a_100000752885_100000045678 [0,2,0,0,0,0|2,0,0]=4 6254 B17R2.496 Clc1ncccc1SCc2ccc(cc2)Br 62a_100000036424_100000189115 [0,2,0,0,0,0|2,0,0]=4 6255 B17R2.496 Clc1ncccc1SCc2ccc(cc2)Br 62a_100000189115_100000036424 [0,2,0,0,0,0|2,0,0]=4 6256 B17R2.496 Clc1ncccc1SCc2ccc(cc2)I 62a_100000036424_100000189116 [0,2,0,0,0,0|2,0,0]=4 6257 B17R2.496 Clc1ncccc1SCc2ccc(cc2)I 62a_100000189116_100000036424 [0,2,0,0,0,0|2,0,0]=4 6258 B17R2.496 Fc1ccc(cc1)C=Cc2ccccc2Br 271570a_100102525539_100000695589 [0,2,0,0,0,0|2,0,0]=4 6259 B17R2.496 Fc1ccc(cc1)C=Cc2ccccc2Cl 271570a_100102525539_100000764095 [0,2,0,0,0,0|2,0,0]=4 6260 B17R2.496 Fc1ccc(cc1)C=Cc2ccccc2F 271570a_100102525539_100011215700 [0,2,0,0,0,0|2,0,0]=4 6261 B17R2.496 Fc1ccc(cc1)C=Cc2ccccc2F 271570a_200102527919_100000211213 [0,2,0,0,0,0|2,0,0]=4 6262 B17R2.496 Fc1ccc(cc1)CNc2ccccc2Br 207a_100000210017_100000210084 [0,2,0,0,0,0|2,0,0]=4 6263 B17R2.496 Fc1ccc(cc1)CNc2ccccc2Br 34a_100000210017_100000198546 [0,2,0,0,0,0|2,0,0]=4 6264 B17R2.496 Fc1ccc(cc1)CNc2ccccc2Cl 207a_100000185783_100000210084 [0,2,0,0,0,0|2,0,0]=4 6265 B17R2.496 Fc1ccc(cc1)CNc2ccccc2Cl 34a_100000185783_100000198546 [0,2,0,0,0,0|2,0,0]=4 6266 B17R2.496 Fc1ccc(cc1)CNc2ccccc2F 207a_100000210422_100000210084 [0,2,0,0,0,0|2,0,0]=4 6267 B17R2.496 Fc1ccc(cc1)CNc2ccccc2F 34a_100000210422_100000198546 [0,2,0,0,0,0|2,0,0]=4 6268 B17R2.496 Fc1ccc(cc1)CNc2ccccc2I 207a_100000210053_100000210084 [0,2,0,0,0,0|2,0,0]=4 6269 B17R2.496 Fc1ccc(cc1)CNc2ccccc2I 34a_100000210053_100000198546 [0,2,0,0,0,0|2,0,0]=4 6270 B17R2.496 Fc1ccc(cc1)COc2ccccc2Br 34a_100000181306_100000198546 [0,2,0,0,0,0|1,1,0]=4 6271 B17R2.496 Fc1ccc(cc1)COc2ccccc2Br 7a_100000181306_100000198546 [0,2,0,0,0,0|1,1,0]=4 6272 B17R2.496 Fc1ccc(cc1)COc2ccccc2Cl 34a_100000210172_100000198546 [0,2,0,0,0,0|1,1,0]=4 6273 B17R2.496 Fc1ccc(cc1)COc2ccccc2Cl 7a_100000210172_100000198546 [0,2,0,0,0,0|1,1,0]=4 6274 B17R2.496 Fc1ccc(cc1)COc2ccccc2F 34a_100000210171_100000198546 [0,2,0,0,0,0|1,1,0]=4 6275 B17R2.496 Fc1ccc(cc1)COc2ccccc2F 7a_100000210171_100000198546 [0,2,0,0,0,0|1,1,0]=4 6276 B17R2.496 Fc1ccc(cc1)COc2ccccc2I 34a_100000739446_100000198546 [0,2,0,0,0,0|1,1,0]=4 6277 B17R2.496 Fc1ccc(cc1)COc2ccccc2I 7a_100000739446_100000198546 [0,2,0,0,0,0|1,1,0]=4 6278 B17R2.496 Fc1ccc(cc1)CSc2c[nH]ccc2=S 62a_100000198546_200012280681 [0,2,0,0,0,0|2,0,0]=4 6279 B17R2.496 Fc1ccc(cc1)CSc2c[nH]ccc2=S 62a_200012280681_100000187164 [0,2,0,0,0,0|2,0,0]=4 6280 B17R2.496 Fc1ccc(cc1)CSc2ccccc2Br 62a_100000198546_100000695589 [0,2,0,0,0,0|1,0,0]=3 6281 B17R2.496 Fc1ccc(cc1)CSc2ccccc2Br 62a_100000695589_100000187164 [0,2,0,0,0,0|1,0,0]=3 6282 B17R2.496 Fc1ccc(cc1)CSc2ccccc2Cl 62a_100000198546_100000764095 [0,2,0,0,0,0|1,0,0]=3 6283 B17R2.496 Fc1ccc(cc1)CSc2ccccc2Cl 62a_100000764095_100000187164 [0,2,0,0,0,0|1,0,0]=3 6284 B17R2.496 Fc1ccc(cc1)CSc2ccccc2F 62a_100000198546_100011215700 [0,2,0,0,0,0|1,0,0]=3 6285 B17R2.496 Fc1ccc(cc1)CSc2ccccc2F 62a_100011215700_100000187164 [0,2,0,0,0,0|1,0,0]=3 6286 B17R2.496 Fc1ccc(cc1)CSc2cccnc2Br 62a_100000198546_100010202626 [0,2,0,0,0,0|2,0,0]=4 6287 B17R2.496 Fc1ccc(cc1)CSc2cccnc2Br 62a_100010202626_100000187164 [0,2,0,0,0,0|2,0,0]=4 6288 B17R2.496 Fc1ccc(cc1)CSc2cccnc2Cl 62a_100000036424_100000187164 [0,2,0,0,0,0|2,0,0]=4 6289 B17R2.496 Fc1ccc(cc1)CSc2cccnc2Cl 62a_100000198546_100000036424 [0,2,0,0,0,0|2,0,0]=4 6290 B17R2.496 Fc1ccc(cc1)CSc2cccnc2F 62a_100000198546_100009816115 [0,2,0,0,0,0|2,0,0]=4 6291 B17R2.496 Fc1ccc(cc1)CSc2cccnc2F 62a_100009816115_100000187164 [0,2,0,0,0,0|2,0,0]=4 6292 B17R2.496 Fc1ccc(cc1)CSc2ccncc2Br 62a_100000198546_100000726257 [0,2,0,0,0,0|2,0,0]=4 6293 B17R2.496 Fc1ccc(cc1)CSc2ccncc2Br 62a_100000726257_100000187164 [0,2,0,0,0,0|2,0,0]=4 6294 B17R2.496 Fc1ccc(cc1)CSc2ccncc2Cl 62a_100000198546_100000708259 [0,2,0,0,0,0|2,0,0]=4 6295 B17R2.496 Fc1ccc(cc1)CSc2ccncc2Cl 62a_100000708259_100000187164 [0,2,0,0,0,0|2,0,0]=4 6296 B17R2.496 Fc1ccc(cc1)CSc2ccncc2F 62a_100000047030_100000187164 [0,2,0,0,0,0|2,0,0]=4 6297 B17R2.496 Fc1ccc(cc1)CSc2ccncc2F 62a_100000198546_100000047030 [0,2,0,0,0,0|2,0,0]=4 6298 B17R2.496 Fc1ccc(cc1)CSc2cnccc2Br 62a_100000198546_100010138639 [0,2,0,0,0,0|2,0,0]=4 6299 B17R2.496 Fc1ccc(cc1)CSc2cnccc2Br 62a_100010138639_100000187164 [0,2,0,0,0,0|2,0,0]=4 6300 B17R2.496 Fc1ccc(cc1)CSc2cnccc2Cl 62a_100000198546_100009995489 [0,2,0,0,0,0|2,0,0]=4 6301 B17R2.496 Fc1ccc(cc1)CSc2cnccc2Cl 62a_100009995489_100000187164 [0,2,0,0,0,0|2,0,0]=4 6302 B17R2.496 Fc1ccc(cc1)CSc2cnccc2F 62a_100000198546_100009820683 [0,2,0,0,0,0|2,0,0]=4 6303 B17R2.496 Fc1ccc(cc1)CSc2cnccc2F 62a_100009820683_100000187164 [0,2,0,0,0,0|2,0,0]=4 6304 B17R2.496 Fc1ccc(cc1)CSc2ncccc2Br 62a_100000198546_100000696092 [0,2,0,0,0,0|2,0,0]=4 6305 B17R2.496 Fc1ccc(cc1)CSc2ncccc2Br 62a_100000696092_100000187164 [0,2,0,0,0,0|2,0,0]=4 6306 B17R2.496 Fc1ccc(cc1)CSc2ncccc2Cl 62a_100000198546_100011356963 [0,2,0,0,0,0|2,0,0]=4 6307 B17R2.496 Fc1ccc(cc1)CSc2ncccc2Cl 62a_100011356963_100000187164 [0,2,0,0,0,0|2,0,0]=4 6308 B17R2.496 Fc1ccc(cc1)CSc2ncccc2F 62a_100000198546_100000685392 [0,2,0,0,0,0|2,0,0]=4 6309 B17R2.496 Fc1ccc(cc1)CSc2ncccc2F 62a_100000685392_100000187164 [0,2,0,0,0,0|2,0,0]=4 6310 B17R2.496 Fc1ccc(cc1)NCc2ccccc2Br 207a_100000185862_100000211189 [0,2,0,0,0,0|2,0,0]=4 6311 B17R2.496 Fc1ccc(cc1)NCc2ccccc2Br 270302a_100000185862_100000211189 [0,2,0,0,0,0|2,0,0]=4 6312 B17R2.496 Fc1ccc(cc1)NCc2ccccc2Br 34a_100000185862_100000184730 [0,2,0,0,0,0|2,0,0]=4 6313 B17R2.496 Fc1ccc(cc1)NCc2ccccc2Cl 207a_100000185862_100000210073 [0,2,0,0,0,0|2,0,0]=4 6314 B17R2.496 Fc1ccc(cc1)NCc2ccccc2Cl 270302a_100000185862_100000210073 [0,2,0,0,0,0|2,0,0]=4 6315 B17R2.496 Fc1ccc(cc1)NCc2ccccc2Cl 34a_100000185862_100000187162 [0,2,0,0,0,0|2,0,0]=4 6316 B17R2.496 Fc1ccc(cc1)NCc2ccccc2F 207a_100000185862_100000210811 [0,2,0,0,0,0|2,0,0]=4 6317 B17R2.496 Fc1ccc(cc1)NCc2ccccc2F 270302a_100000185862_100000210811 [0,2,0,0,0,0|2,0,0]=4 6318 B17R2.496 Fc1ccc(cc1)NCc2ccccc2F 34a_100000185862_100000211605 [0,2,0,0,0,0|2,0,0]=4 6319 B17R2.496 Fc1ccc(cc1)NCc2ccccc2I 207a_100000185862_100000010305 [0,2,0,0,0,0|2,0,0]=4 6320 B17R2.496 Fc1ccc(cc1)NCc2ccccc2I 34a_100000185862_100011215278 [0,2,0,0,0,0|2,0,0]=4 6321 B17R2.496 Fc1ccc(cc1)OCc2ccccc2Br 34a_100000210339_100000184730 [0,2,0,0,0,0|1,1,0]=4 6322 B17R2.496 Fc1ccc(cc1)OCc2ccccc2Cl 34a_100000210339_100000187162 [0,2,0,0,0,0|1,1,0]=4 6323 B17R2.496 Fc1ccc(cc1)OCc2ccccc2F 34a_100000210339_100000211605 [0,2,0,0,0,0|1,1,0]=4 6324 B17R2.496 Fc1ccc(cc1)OCc2ccccc2I 34a_100000210339_100011215278 [0,2,0,0,0,0|1,1,0]=4 6325 B17R2.496 Fc1ccc(cc1)SCc2ccccc2Br 62a_100000184730_100000211213 [0,2,0,0,0,0|1,0,0]=3 6326 B17R2.496 Fc1ccc(cc1)SCc2ccccc2Br 62a_100000211213_100000184730 [0,2,0,0,0,0|1,0,0]=3 6327 B17R2.496 Fc1ccc(cc1)SCc2ccccc2Cl 62a_100000187162_100000211213 [0,2,0,0,0,0|1,0,0]=3 6328 B17R2.496 Fc1ccc(cc1)SCc2ccccc2Cl 62a_100000211213_100000187162 [0,2,0,0,0,0|1,0,0]=3 6329 B17R2.496 Fc1ccc(cc1)SCc2ccccc2F 62a_100000211213_100000211605 [0,2,0,0,0,0|1,0,0]=3 6330 B17R2.496 Fc1ccc(cc1)SCc2ccccc2F 62a_100000211605_100000211213 [0,2,0,0,0,0|1,0,0]=3 6331 B17R2.496 Fc1ccc(cc1)SCc2ccccc2I 62a_100000211213_100011216222 [0,2,0,0,0,0|1,0,0]=3 6332 B17R2.496 Fc1ccc(cc1)SCc2ccccc2I 62a_100011216222_100000211213 [0,2,0,0,0,0|1,0,0]=3 6333 B17R2.496 Fc1ccc(cc1)SCc2cccnc2Br 62a_100000211213_100010140945 [0,2,0,0,0,0|2,0,0]=4 6334 B17R2.496 Fc1ccc(cc1)SCc2cccnc2Br 62a_100010140945_100000211213 [0,2,0,0,0,0|2,0,0]=4 6335 B17R2.496 Fc1ccc(cc1)SCc2cccnc2Cl 62a_100000045678_100000211213 [0,2,0,0,0,0|2,0,0]=4 6336 B17R2.496 Fc1ccc(cc1)SCc2cccnc2Cl 62a_100000211213_100000045678 [0,2,0,0,0,0|2,0,0]=4 6337 B17R2.496 Fc1ccc(cc1)SCc2cccnc2F 62a_100000099810_100000211213 [0,2,0,0,0,0|2,0,0]=4 6338 B17R2.496 Fc1ccc(cc1)SCc2cccnc2F 62a_100000211213_100000099810 [0,2,0,0,0,0|2,0,0]=4 6339 B17R2.496 Fc1ccc(cc1)SCc2ccncc2Cl 62a_100000211213_100000763264 [0,2,0,0,0,0|2,0,0]=4 6340 B17R2.496 Fc1ccc(cc1)SCc2ccncc2Cl 62a_100000763264_100000211213 [0,2,0,0,0,0|2,0,0]=4 6341 B17R2.496 Fc1ccc(cc1)SCc2ncccc2Br 62a_100000211213_100025702911 [0,2,0,0,0,0|2,0,0]=4 6342 B17R2.496 Fc1ccc(cc1)SCc2ncccc2Br 62a_100025702911_100000211213 [0,2,0,0,0,0|2,0,0]=4 6343 B17R2.496 Fc1ccc(cc1)SCc2ncccc2Cl 62a_100000099807_100000211213 [0,2,0,0,0,0|2,0,0]=4 6344 B17R2.496 Fc1ccc(cc1)SCc2ncccc2Cl 62a_100000211213_100000099807 [0,2,0,0,0,0|2,0,0]=4 6345 B17R2.496 Fc1ccc(cc1)SCc2ncccc2F 62a_100000104219_100000211213 [0,2,0,0,0,0|2,0,0]=4 6346 B17R2.496 Fc1ccc(cc1)SCc2ncccc2F 62a_100000211213_100000104219 [0,2,0,0,0,0|2,0,0]=4 6347 B17R2.496 Fc1ccc(cn1)CSc2ccccc2Br 62a_100000695589_100000099788 [0,2,0,0,0,0|2,0,0]=4 6348 B17R2.496 Fc1ccc(cn1)CSc2ccccc2Br 62a_100009820150_100000695589 [0,2,0,0,0,0|2,0,0]=4 6349 B17R2.496 Fc1ccc(cn1)CSc2ccccc2Cl 62a_100000764095_100000099788 [0,2,0,0,0,0|2,0,0]=4 6350 B17R2.496 Fc1ccc(cn1)CSc2ccccc2Cl 62a_100009820150_100000764095 [0,2,0,0,0,0|2,0,0]=4 6351 B17R2.496 Fc1ccc(cn1)CSc2ccccc2F 62a_100009820150_100011215700 [0,2,0,0,0,0|2,0,0]=4 6352 B17R2.496 Fc1ccc(cn1)CSc2ccccc2F 62a_100011215700_100000099788 [0,2,0,0,0,0|2,0,0]=4 6353 B17R2.496 Fc1ccc(cn1)SCc2ccccc2Br 62a_100000042367_100000184730 [0,2,0,0,0,0|2,0,0]=4 6354 B17R2.496 Fc1ccc(cn1)SCc2ccccc2Br 62a_100000184730_100000042367 [0,2,0,0,0,0|2,0,0]=4 6355 B17R2.496 Fc1ccc(cn1)SCc2ccccc2Cl 62a_100000042367_100000187162 [0,2,0,0,0,0|2,0,0]=4 6356 B17R2.496 Fc1ccc(cn1)SCc2ccccc2Cl 62a_100000187162_100000042367 [0,2,0,0,0,0|2,0,0]=4 6357 B17R2.496 Fc1ccc(cn1)SCc2ccccc2F 62a_100000042367_100000211605 [0,2,0,0,0,0|2,0,0]=4 6358 B17R2.496 Fc1ccc(cn1)SCc2ccccc2F 62a_100000211605_100000042367 [0,2,0,0,0,0|2,0,0]=4 6359 B17R2.496 Fc1ccc(cn1)SCc2ccccc2I 62a_100000042367_100011216222 [0,2,0,0,0,0|2,0,0]=4 6360 B17R2.496 Fc1ccc(cn1)SCc2ccccc2I 62a_100011216222_100000042367 [0,2,0,0,0,0|2,0,0]=4 6361 B17R2.496 Fc1ccc(nc1)CSc2ccccc2Br 62a_100000695589_100000703193 [0,2,0,0,0,0|2,0,0]=4 6362 B17R2.496 Fc1ccc(nc1)CSc2ccccc2Br 62a_100000703193_100000695589 [0,2,0,0,0,0|2,0,0]=4 6363 B17R2.496 Fc1ccc(nc1)CSc2ccccc2Cl 62a_100000703193_100000764095 [0,2,0,0,0,0|2,0,0]=4 6364 B17R2.496 Fc1ccc(nc1)CSc2ccccc2Cl 62a_100000764095_100000703193 [0,2,0,0,0,0|2,0,0]=4 6365 B17R2.496 Fc1ccc(nc1)CSc2ccccc2F 62a_100000703193_100011215700 [0,2,0,0,0,0|2,0,0]=4 6366 B17R2.496 Fc1ccc(nc1)CSc2ccccc2F 62a_100011215700_100000703193 [0,2,0,0,0,0|2,0,0]=4 6367 B17R2.496 Fc1ccc(nc1)SCc2ccccc2Br 62a_100000184730_100000744514 [0,2,0,0,0,0|2,0,0]=4 6368 B17R2.496 Fc1ccc(nc1)SCc2ccccc2Br 62a_100000744514_100000184730 [0,2,0,0,0,0|2,0,0]=4 6369 B17R2.496 Fc1ccc(nc1)SCc2ccccc2Cl 62a_100000187162_100000744514 [0,2,0,0,0,0|2,0,0]=4 6370 B17R2.496 Fc1ccc(nc1)SCc2ccccc2Cl 62a_100000744514_100000187162 [0,2,0,0,0,0|2,0,0]=4 6371 B17R2.496 Fc1ccc(nc1)SCc2ccccc2F 62a_100000211605_100000744514 [0,2,0,0,0,0|2,0,0]=4 6372 B17R2.496 Fc1ccc(nc1)SCc2ccccc2F 62a_100000744514_100000211605 [0,2,0,0,0,0|2,0,0]=4 6373 B17R2.496 Fc1ccc(nc1)SCc2ccccc2I 62a_100000744514_100011216222 [0,2,0,0,0,0|2,0,0]=4 6374 B17R2.496 Fc1ccc(nc1)SCc2ccccc2I 62a_100011216222_100000744514 [0,2,0,0,0,0|2,0,0]=4 6375 B17R2.496 Fc1ccccc1C=Cc2ccc(cc2)Br 271570a_100102527914_100011215700 [0,2,0,0,0,0|2,0,0]=4 6376 B17R2.496 Fc1ccccc1C=Cc2ccc(cc2)Br 271570a_200102527919_100000752885 [0,2,0,0,0,0|2,0,0]=4 6377 B17R2.496 Fc1ccccc1C=Cc2ccc(cc2)Cl 271570a_100102527930_100011215700 [0,2,0,0,0,0|2,0,0]=4 6378 B17R2.496 Fc1ccccc1C=Cc2ccc(cc2)Cl 271570a_200102527919_100000755918 [0,2,0,0,0,0|2,0,0]=4 6379 B17R2.496 Fc1ccccc1CNc2ccc(cc2)Br 207a_100000210018_100000210811 [0,2,0,0,0,0|2,0,0]=4 6380 B17R2.496 Fc1ccccc1CNc2ccc(cc2)Br 2230a_100000210018_100000211605 [0,2,0,0,0,0|2,0,0]=4 6381 B17R2.496 Fc1ccccc1CNc2ccc(cc2)Br 270302a_100000210018_100000210811 [0,2,0,0,0,0|2,0,0]=4 6382 B17R2.496 Fc1ccccc1CNc2ccc(cc2)Br 34a_100000210018_100000211605 [0,2,0,0,0,0|2,0,0]=4 6383 B17R2.496 Fc1ccccc1CNc2ccc(cc2)Cl 207a_100000210052_100000210811 [0,2,0,0,0,0|2,0,0]=4 6384 B17R2.496 Fc1ccccc1CNc2ccc(cc2)Cl 2230a_100000210052_100000211605 [0,2,0,0,0,0|2,0,0]=4 6385 B17R2.496 Fc1ccccc1CNc2ccc(cc2)Cl 270302a_100000210052_100000210811 [0,2,0,0,0,0|2,0,0]=4 6386 B17R2.496 Fc1ccccc1CNc2ccc(cc2)Cl 34a_100000210052_100000211605 [0,2,0,0,0,0|2,0,0]=4 6387 B17R2.496 Fc1ccccc1CNc2ccc(cc2)I 207a_100000185761_100000210811 [0,2,0,0,0,0|2,0,0]=4 6388 B17R2.496 Fc1ccccc1CNc2ccc(cc2)I 270302a_100000185761_100000210811 [0,2,0,0,0,0|2,0,0]=4 6389 B17R2.496 Fc1ccccc1CNc2ccc(cc2)I 34a_100000185761_100000211605 [0,2,0,0,0,0|2,0,0]=4 6390 B17R2.496 Fc1ccccc1COc2ccc(cc2)Br 34a_100000185759_100000211605 [0,2,0,0,0,0|1,1,0]=4 6391 B17R2.496 Fc1ccccc1COc2ccc(cc2)Br 7a_100000185759_100000211605 [0,2,0,0,0,0|1,1,0]=4 6392 B17R2.496 Fc1ccccc1COc2ccc(cc2)Cl 34a_100000210216_100000211605 [0,2,0,0,0,0|1,1,0]=4 6393 B17R2.496 Fc1ccccc1COc2ccc(cc2)Cl 7a_100000210216_100000211605 [0,2,0,0,0,0|1,1,0]=4 6394 B17R2.496 Fc1ccccc1COc2ccc(cc2)I 34a_100000212066_100000211605 [0,2,0,0,0,0|1,1,0]=4 6395 B17R2.496 Fc1ccccc1COc2ccc(cc2)I 7a_100000212066_100000211605 [0,2,0,0,0,0|1,1,0]=4 6396 B17R2.496 Fc1ccccc1CSc2ccc(cc2)Br 62a_100000211605_100000752885 [0,2,0,0,0,0|1,0,0]=3 6397 B17R2.496 Fc1ccccc1CSc2ccc(cc2)Br 62a_100000752885_100000211605 [0,2,0,0,0,0|1,0,0]=3 6398 B17R2.496 Fc1ccccc1CSc2ccc(cc2)Cl 62a_100000211605_100000755918 [0,2,0,0,0,0|1,0,0]=3 6399 B17R2.496 Fc1ccccc1CSc2ccc(cc2)Cl 62a_100000755918_100000211605 [0,2,0,0,0,0|1,0,0]=3 6400 B17R2.496 Fc1ccccc1CSc2ccc(cn2)Br 62a_100000211605_100000686858 [0,2,0,0,0,0|2,0,0]=4 6401 B17R2.496 Fc1ccccc1CSc2ccc(cn2)Br 62a_100000686858_100000211605 [0,2,0,0,0,0|2,0,0]=4 6402 B17R2.496 Fc1ccccc1CSc2ccc(cn2)Cl 62a_100000211605_100011356976 [0,2,0,0,0,0|2,0,0]=4 6403 B17R2.496 Fc1ccccc1CSc2ccc(cn2)Cl 62a_100011356976_100000211605 [0,2,0,0,0,0|2,0,0]=4 6404 B17R2.496 Fc1ccccc1CSc2ccc(nc2)Br 62a_100000211605_100009814638 [0,2,0,0,0,0|2,0,0]=4 6405 B17R2.496 Fc1ccccc1CSc2ccc(nc2)Br 62a_100009814638_100000211605 [0,2,0,0,0,0|2,0,0]=4 6406 B17R2.496 Fc1ccccc1CSc2ccc(nc2)Cl 62a_100000034144_100000211605 [0,2,0,0,0,0|2,0,0]=4 6407 B17R2.496 Fc1ccccc1CSc2ccc(nc2)Cl 62a_100000211605_100000034144 [0,2,0,0,0,0|2,0,0]=4 6408 B17R2.496 Fc1ccccc1NCc2ccc(cc2)Br 207a_100000210422_100000186029 [0,2,0,0,0,0|2,0,0]=4 6409 B17R2.496 Fc1ccccc1NCc2ccc(cc2)Br 34a_100000210422_100000189115 [0,2,0,0,0,0|2,0,0]=4 6410 B17R2.496 Fc1ccccc1NCc2ccc(cc2)Cl 207a_100000210422_100000189385 [0,2,0,0,0,0|2,0,0]=4 6411 B17R2.496 Fc1ccccc1NCc2ccc(cc2)Cl 34a_100000210422_100000694040 [0,2,0,0,0,0|2,0,0]=4 6412 B17R2.496 Fc1ccccc1NCc2ccc(cc2)I 207a_100000210422_100000188517 [0,2,0,0,0,0|2,0,0]=4 6413 B17R2.496 Fc1ccccc1NCc2ccc(cc2)I 34a_100000210422_100000189116 [0,2,0,0,0,0|2,0,0]=4 6414 B17R2.496 Fc1ccccc1OCc2ccc(cc2)Br 34a_100000210171_100000189115 [0,2,0,0,0,0|1,1,0]=4 6415 B17R2.496 Fc1ccccc1OCc2ccc(cc2)Br 7a_100000210171_100011217064 [0,2,0,0,0,0|1,1,0]=4 6416 B17R2.496 Fc1ccccc1OCc2ccc(cc2)Cl 34a_100000210171_100000694040 [0,2,0,0,0,0|1,1,0]=4 6417 B17R2.496 Fc1ccccc1OCc2ccc(cc2)Cl 7a_100000210171_100000187161 [0,2,0,0,0,0|1,1,0]=4 6418 B17R2.496 Fc1ccccc1OCc2ccc(cc2)I 34a_100000210171_100000189116 [0,2,0,0,0,0|1,1,0]=4 6419 B17R2.496 Fc1ccccc1OCc2ccc(cc2)I 7a_100000210171_100000189116 [0,2,0,0,0,0|1,1,0]=4 6420 B17R2.496 Fc1ccccc1SCc2ccc(cc2)Br 62a_100000189115_100011215700 [0,2,0,0,0,0|1,0,0]=3 6421 B17R2.496 Fc1ccccc1SCc2ccc(cc2)Br 62a_100011215700_100000189115 [0,2,0,0,0,0|1,0,0]=3 6422 B17R2.496 Fc1ccccc1SCc2ccc(cc2)Cl 62a_100000187161_100011215700 [0,2,0,0,0,0|1,0,0]=3 6423 B17R2.496 Fc1ccccc1SCc2ccc(cc2)Cl 62a_100011215700_100000187161 [0,2,0,0,0,0|1,0,0]=3 6424 B17R2.496 Fc1ccccc1SCc2ccc(cc2)I 62a_100000189116_100011215700 [0,2,0,0,0,0|1,0,0]=3 6425 B17R2.496 Fc1ccccc1SCc2ccc(cc2)I 62a_100011215700_100000189116 [0,2,0,0,0,0|1,0,0]=3 6426 B17R2.496 Fc1ccccc1SCc2ccc(cn2)Br 62a_100000702658_100011215700 [0,2,0,0,0,0|2,0,0]=4 6427 B17R2.496 Fc1ccccc1SCc2ccc(cn2)Br 62a_100011215700_100000702658 [0,2,0,0,0,0|2,0,0]=4 6428 B17R2.496 Fc1ccccc1SCc2ccc(cn2)Cl 62a_100011215700_100000697101 [0,2,0,0,0,0|2,0,0]=4 6429 B17R2.496 Fc1ccccc1SCc2ccc(cn2)Cl 62a_100012066911_100011215700 [0,2,0,0,0,0|2,0,0]=4 6430 B17R2.496 Fc1ccccc1SCc2ccc(nc2)Br 62a_100009831999_100011215700 [0,2,0,0,0,0|2,0,0]=4 6431 B17R2.496 Fc1ccccc1SCc2ccc(nc2)Br 62a_100011215700_100009831999 [0,2,0,0,0,0|2,0,0]=4 6432 B17R2.496 Fc1ccccc1SCc2ccc(nc2)Cl 62a_100000735431_100011215700 [0,2,0,0,0,0|2,0,0]=4 6433 B17R2.496 Fc1ccccc1SCc2ccc(nc2)Cl 62a_100011215700_100000735431 [0,2,0,0,0,0|2,0,0]=4 6434 B17R2.496 Fc1cccnc1CSc2ccc(cc2)Br 62a_100000104219_100000752885 [0,2,0,0,0,0|2,0,0]=4 6435 B17R2.496 Fc1cccnc1CSc2ccc(cc2)Br 62a_100000752885_100000104219 [0,2,0,0,0,0|2,0,0]=4 6436 B17R2.496 Fc1cccnc1CSc2ccc(cc2)Cl 62a_100000104219_100000755918 [0,2,0,0,0,0|2,0,0]=4 6437 B17R2.496 Fc1cccnc1CSc2ccc(cc2)Cl 62a_100000755918_100000104219 [0,2,0,0,0,0|2,0,0]=4 6438 B17R2.496 Fc1cccnc1SCc2ccc(cc2)Br 62a_100000189115_100000685392 [0,2,0,0,0,0|2,0,0]=4 6439 B17R2.496 Fc1cccnc1SCc2ccc(cc2)Br 62a_100000685392_100000189115 [0,2,0,0,0,0|2,0,0]=4 6440 B17R2.496 Fc1cccnc1SCc2ccc(cc2)Cl 62a_100000187161_100000685392 [0,2,0,0,0,0|2,0,0]=4 6441 B17R2.496 Fc1cccnc1SCc2ccc(cc2)Cl 62a_100000685392_100000187161 [0,2,0,0,0,0|2,0,0]=4 6442 B17R2.496 Fc1cccnc1SCc2ccc(cc2)I 62a_100000189116_100000685392 [0,2,0,0,0,0|2,0,0]=4 6443 B17R2.496 Fc1cccnc1SCc2ccc(cc2)I 62a_100000685392_100000189116 [0,2,0,0,0,0|2,0,0]=4 6444 B17R2.496 Fc1ccncc1SCc2ccc(cc2)Br 62a_100000189115_100009820683 [0,2,0,0,0,0|2,0,0]=4 6445 B17R2.496 Fc1ccncc1SCc2ccc(cc2)Br 62a_100009820683_100000189115 [0,2,0,0,0,0|2,0,0]=4 6446 B17R2.496 Fc1ccncc1SCc2ccc(cc2)Cl 62a_100000187161_100009820683 [0,2,0,0,0,0|2,0,0]=4 6447 B17R2.496 Fc1ccncc1SCc2ccc(cc2)Cl 62a_100009820683_100000187161 [0,2,0,0,0,0|2,0,0]=4 6448 B17R2.496 Fc1ccncc1SCc2ccc(cc2)I 62a_100000189116_100009820683 [0,2,0,0,0,0|2,0,0]=4 6449 B17R2.496 Fc1ccncc1SCc2ccc(cc2)I 62a_100009820683_100000189116 [0,2,0,0,0,0|2,0,0]=4 6450 B17R2.496 Fc1cnccc1SCc2ccc(cc2)Br 62a_100000047030_100000189115 [0,2,0,0,0,0|2,0,0]=4 6451 B17R2.496 Fc1cnccc1SCc2ccc(cc2)Br 62a_100000189115_100000047030 [0,2,0,0,0,0|2,0,0]=4 6452 B17R2.496 Fc1cnccc1SCc2ccc(cc2)Cl 62a_100000047030_100000187161 [0,2,0,0,0,0|2,0,0]=4 6453 B17R2.496 Fc1cnccc1SCc2ccc(cc2)Cl 62a_100000187161_100000047030 [0,2,0,0,0,0|2,0,0]=4 6454 B17R2.496 Fc1cnccc1SCc2ccc(cc2)I 62a_100000047030_100000189116 [0,2,0,0,0,0|2,0,0]=4 6455 B17R2.496 Fc1cnccc1SCc2ccc(cc2)I 62a_100000189116_100000047030 [0,2,0,0,0,0|2,0,0]=4 6456 B17R2.496 Fc1ncccc1CSc2ccc(cc2)Br 62a_100000099810_100000752885 [0,2,0,0,0,0|2,0,0]=4 6457 B17R2.496 Fc1ncccc1CSc2ccc(cc2)Br 62a_100000752885_100000099810 [0,2,0,0,0,0|2,0,0]=4 6458 B17R2.496 Fc1ncccc1CSc2ccc(cc2)Cl 62a_100000099810_100000755918 [0,2,0,0,0,0|2,0,0]=4 6459 B17R2.496 Fc1ncccc1CSc2ccc(cc2)Cl 62a_100000755918_100000099810 [0,2,0,0,0,0|2,0,0]=4 6460 B17R2.496 Fc1ncccc1SCc2ccc(cc2)Br 62a_100000189115_100009816115 [0,2,0,0,0,0|2,0,0]=4 6461 B17R2.496 Fc1ncccc1SCc2ccc(cc2)Br 62a_100009816115_100000189115 [0,2,0,0,0,0|2,0,0]=4 6462 B17R2.496 Fc1ncccc1SCc2ccc(cc2)Cl 62a_100000187161_100009816115 [0,2,0,0,0,0|2,0,0]=4 6463 B17R2.496 Fc1ncccc1SCc2ccc(cc2)Cl 62a_100009816115_100000187161 [0,2,0,0,0,0|2,0,0]=4 6464 B17R2.496 Fc1ncccc1SCc2ccc(cc2)I 62a_100000189116_100009816115 [0,2,0,0,0,0|2,0,0]=4 6465 B17R2.496 Fc1ncccc1SCc2ccc(cc2)I 62a_100009816115_100000189116 [0,2,0,0,0,0|2,0,0]=4 6466 B17R2.496 Ic1ccc(cc1)CNc2ccccc2I 207a_100000210053_100000188517 [0,2,0,0,0,0|2,0,0]=4 6467 B17R2.496 Ic1ccc(cc1)CNc2ccccc2I 34a_100000210053_100000189116 [0,2,0,0,0,0|2,0,0]=4 6468 B17R2.496 Ic1ccc(cc1)COc2ccccc2I 34a_100000739446_100000189116 [0,2,0,0,0,0|1,1,0]=4 6469 B17R2.496 Ic1ccc(cc1)COc2ccccc2I 7a_100000739446_100000189116 [0,2,0,0,0,0|1,1,0]=4 6470 B17R2.496 Ic1ccc(cc1)NCc2ccccc2I 207a_100000185761_100000010305 [0,2,0,0,0,0|2,0,0]=4 6471 B17R2.496 Ic1ccc(cc1)NCc2ccccc2I 34a_100000185761_100011215278 [0,2,0,0,0,0|2,0,0]=4 6472 B17R2.496 Ic1ccc(cc1)OCc2ccccc2I 34a_100000212066_100011215278 [0,2,0,0,0,0|1,1,0]=4 6473 B17R2.496 Ic1ccc(cc1)OCc2ccccc2I 7a_100000212066_100011215278 [0,2,0,0,0,0|1,1,0]=4 6474 B17R2.496 Nc1ccc(cc1)C=Cc2ccccc2F 271570a_200102527919_100000185761 [0,2,0,0,0,0|2,0,0]=4 6475 B17R2.496 Nc1ccc(cc1)OCc2ccccc2Br 34a_100000185829_100000184730 [0,2,0,0,0,0|1,1,0]=4 6476 B17R2.496 Nc1ccc(cc1)OCc2ccccc2Cl 34a_100000185829_100000187162 [0,2,0,0,0,0|1,1,0]=4 6477 B17R2.496 Nc1ccc(cc1)OCc2ccccc2F 34a_100000185829_100000211605 [0,2,0,0,0,0|1,1,0]=4 6478 B17R2.496 Nc1ccc(cc1)OCc2ccccc2I 34a_100000185829_100011215278 [0,2,0,0,0,0|1,1,0]=4 6479 B17R2.496 Nc1ccc(cc1)SCc2ccccc2Br 62a_100000184730_100000185761 [0,2,0,0,0,0|1,0,0]=3 6480 B17R2.496 Nc1ccc(cc1)SCc2ccccc2Br 62a_100000185761_100000184730 [0,2,0,0,0,0|1,0,0]=3 6481 B17R2.496 Nc1ccc(cc1)SCc2ccccc2Cl 62a_100000185761_100000187162 [0,2,0,0,0,0|1,0,0]=3 6482 B17R2.496 Nc1ccc(cc1)SCc2ccccc2Cl 62a_100000187162_100000185761 [0,2,0,0,0,0|1,0,0]=3 6483 B17R2.496 Nc1ccc(cc1)SCc2ccccc2F 62a_100000185761_100000211605 [0,2,0,0,0,0|1,0,0]=3 6484 B17R2.496 Nc1ccc(cc1)SCc2ccccc2F 62a_100000211605_100000185761 [0,2,0,0,0,0|1,0,0]=3 6485 B17R2.496 Nc1ccc(cc1)SCc2ccccc2I 62a_100000185761_100011216222 [0,2,0,0,0,0|1,0,0]=3 6486 B17R2.496 Nc1ccc(cc1)SCc2ccccc2I 62a_100011216222_100000185761 [0,2,0,0,0,0|1,0,0]=3 6487 B17R2.496 Nc1ccc(cc1)SCc2cccnc2Br 62a_100000185761_100010140945 [0,2,0,0,0,0|2,0,0]=4 6488 B17R2.496 Nc1ccc(cc1)SCc2cccnc2Br 62a_100010140945_100000185761 [0,2,0,0,0,0|2,0,0]=4 6489 B17R2.496 Nc1ccc(cc1)SCc2cccnc2Cl 62a_100000045678_100000185761 [0,2,0,0,0,0|2,0,0]=4 6490 B17R2.496 Nc1ccc(cc1)SCc2cccnc2Cl 62a_100000185761_100000045678 [0,2,0,0,0,0|2,0,0]=4 6491 B17R2.496 Nc1ccc(cc1)SCc2cccnc2F 62a_100000099810_100000185761 [0,2,0,0,0,0|2,0,0]=4 6492 B17R2.496 Nc1ccc(cc1)SCc2cccnc2F 62a_100000185761_100000099810 [0,2,0,0,0,0|2,0,0]=4 6493 B17R2.496 Nc1ccc(cc1)SCc2ccncc2Cl 62a_100000185761_100000763264 [0,2,0,0,0,0|2,0,0]=4 6494 B17R2.496 Nc1ccc(cc1)SCc2ccncc2Cl 62a_100000763264_100000185761 [0,2,0,0,0,0|2,0,0]=4 6495 B17R2.496 Nc1ccc(cc1)SCc2ncccc2Br 62a_100000185761_100025702911 [0,2,0,0,0,0|2,0,0]=4 6496 B17R2.496 Nc1ccc(cc1)SCc2ncccc2Br 62a_100025702911_100000185761 [0,2,0,0,0,0|2,0,0]=4 6497 B17R2.496 Nc1ccc(cc1)SCc2ncccc2Cl 62a_100000099807_100000185761 [0,2,0,0,0,0|2,0,0]=4 6498 B17R2.496 Nc1ccc(cc1)SCc2ncccc2Cl 62a_100000185761_100000099807 [0,2,0,0,0,0|2,0,0]=4 6499 B17R2.496 Nc1ccc(cc1)SCc2ncccc2F 62a_100000104219_100000185761 [0,2,0,0,0,0|2,0,0]=4 6500 B17R2.496 Nc1ccc(cc1)SCc2ncccc2F 62a_100000185761_100000104219 [0,2,0,0,0,0|2,0,0]=4 6501 B17R2.496 Nc1ccc(cc1)SCc2ncccc2O 62a_100000185761_200020655725 [0,2,0,0,0,0|2,0,0]=4 6502 B17R2.496 Nc1ccc(cc1)SCc2ncccc2O 62a_200020655725_100000185761 [0,2,0,0,0,0|2,0,0]=4 6503 B17R2.496 Nc1ccc(cn1)SCc2ccccc2Br 62a_100000184730_100000187370 [0,2,0,0,0,0|2,0,0]=4 6504 B17R2.496 Nc1ccc(cn1)SCc2ccccc2Br 62a_100000187370_100000184730 [0,2,0,0,0,0|2,0,0]=4 6505 B17R2.496 Nc1ccc(cn1)SCc2ccccc2Cl 62a_100000187162_100000187370 [0,2,0,0,0,0|2,0,0]=4 6506 B17R2.496 Nc1ccc(cn1)SCc2ccccc2Cl 62a_100000187370_100000187162 [0,2,0,0,0,0|2,0,0]=4 6507 B17R2.496 Nc1ccc(cn1)SCc2ccccc2F 62a_100000187370_100000211605 [0,2,0,0,0,0|2,0,0]=4 6508 B17R2.496 Nc1ccc(cn1)SCc2ccccc2F 62a_100000211605_100000187370 [0,2,0,0,0,0|2,0,0]=4 6509 B17R2.496 Nc1ccc(cn1)SCc2ccccc2I 62a_100000187370_100011216222 [0,2,0,0,0,0|2,0,0]=4 6510 B17R2.496 Nc1ccc(cn1)SCc2ccccc2I 62a_100011216222_100000187370 [0,2,0,0,0,0|2,0,0]=4 6511 B17R2.496 Nc1ccc(nc1)SCc2ccccc2Br 62a_100000184730_100000737798 [0,2,0,0,0,0|2,0,0]=4 6512 B17R2.496 Nc1ccc(nc1)SCc2ccccc2Br 62a_100000737798_100000184730 [0,2,0,0,0,0|2,0,0]=4 6513 B17R2.496 Nc1ccc(nc1)SCc2ccccc2Cl 62a_100000187162_100000737798 [0,2,0,0,0,0|2,0,0]=4 6514 B17R2.496 Nc1ccc(nc1)SCc2ccccc2Cl 62a_100000737798_100000187162 [0,2,0,0,0,0|2,0,0]=4 6515 B17R2.496 Nc1ccc(nc1)SCc2ccccc2F 62a_100000211605_100000737798 [0,2,0,0,0,0|2,0,0]=4 6516 B17R2.496 Nc1ccc(nc1)SCc2ccccc2F 62a_100000737798_100000211605 [0,2,0,0,0,0|2,0,0]=4 6517 B17R2.496 Nc1ccc(nc1)SCc2ccccc2I 62a_100000737798_100011216222 [0,2,0,0,0,0|2,0,0]=4 6518 B17R2.496 Nc1ccc(nc1)SCc2ccccc2I 62a_100011216222_100000737798 [0,2,0,0,0,0|2,0,0]=4 6519 B17R2.496 Nc1ccccc1C=Cc2ccc(cc2)Br 271570a_100102527914_100000210017 [0,2,0,0,0,0|2,0,0]=4 6520 B17R2.496 Nc1ccccc1C=Cc2ccc(cc2)Cl 271570a_100102527930_100000210017 [0,2,0,0,0,0|2,0,0]=4 6521 B17R2.496 Nc1ccccc1C=Cc2ccc(cc2)F 271570a_100102525539_100000210017 [0,2,0,0,0,0|2,0,0]=4 6522 B17R2.496 Nc1ccccc1OCc2ccc(cc2)Br 34a_100000185747_100000189115 [0,2,0,0,0,0|1,1,0]=4 6523 B17R2.496 Nc1ccccc1OCc2ccc(cc2)Br 7a_100000185747_100011217064 [0,2,0,0,0,0|1,1,0]=4 6524 B17R2.496 Nc1ccccc1OCc2ccc(cc2)Cl 34a_100000185747_100000694040 [0,2,0,0,0,0|1,1,0]=4 6525 B17R2.496 Nc1ccccc1OCc2ccc(cc2)Cl 7a_100000185747_100000187161 [0,2,0,0,0,0|1,1,0]=4 6526 B17R2.496 Nc1ccccc1OCc2ccc(cc2)F 34a_100000185747_100000198546 [0,2,0,0,0,0|1,1,0]=4 6527 B17R2.496 Nc1ccccc1OCc2ccc(cc2)F 7a_100000185747_100000198546 [0,2,0,0,0,0|1,1,0]=4 6528 B17R2.496 Nc1ccccc1OCc2ccc(cc2)I 34a_100000185747_100000189116 [0,2,0,0,0,0|1,1,0]=4 6529 B17R2.496 Nc1ccccc1OCc2ccc(cc2)I 7a_100000185747_100000189116 [0,2,0,0,0,0|1,1,0]=4 6530 B17R2.496 Nc1ccccc1SCc2ccc(cc2)Br 62a_100000189115_100000210017 [0,2,0,0,0,0|1,0,0]=3 6531 B17R2.496 Nc1ccccc1SCc2ccc(cc2)Br 62a_100000210017_100000189115 [0,2,0,0,0,0|1,0,0]=3 6532 B17R2.496 Nc1ccccc1SCc2ccc(cc2)Cl 62a_100000187161_100000210017 [0,2,0,0,0,0|1,0,0]=3 6533 B17R2.496 Nc1ccccc1SCc2ccc(cc2)Cl 62a_100000210017_100000187161 [0,2,0,0,0,0|1,0,0]=3 6534 B17R2.496 Nc1ccccc1SCc2ccc(cc2)F 62a_100000198546_100000210017 [0,2,0,0,0,0|1,0,0]=3 6535 B17R2.496 Nc1ccccc1SCc2ccc(cc2)F 62a_100000210017_100000187164 [0,2,0,0,0,0|1,0,0]=3 6536 B17R2.496 Nc1ccccc1SCc2ccc(cc2)I 62a_100000189116_100000210017 [0,2,0,0,0,0|1,0,0]=3 6537 B17R2.496 Nc1ccccc1SCc2ccc(cc2)I 62a_100000210017_100000189116 [0,2,0,0,0,0|1,0,0]=3 6538 B17R2.496 Nc1ccccc1SCc2ccc(cn2)Br 62a_100000210017_100000702658 [0,2,0,0,0,0|2,0,0]=4 6539 B17R2.496 Nc1ccccc1SCc2ccc(cn2)Br 62a_100000702658_100000210017 [0,2,0,0,0,0|2,0,0]=4 6540 B17R2.496 Nc1ccccc1SCc2ccc(cn2)Cl 62a_100000210017_100000697101 [0,2,0,0,0,0|2,0,0]=4 6541 B17R2.496 Nc1ccccc1SCc2ccc(cn2)Cl 62a_100012066911_100000210017 [0,2,0,0,0,0|2,0,0]=4 6542 B17R2.496 Nc1ccccc1SCc2ccc(cn2)F 62a_100000210017_100000703193 [0,2,0,0,0,0|2,0,0]=4 6543 B17R2.496 Nc1ccccc1SCc2ccc(cn2)F 62a_100000703193_100000210017 [0,2,0,0,0,0|2,0,0]=4 6544 B17R2.496 Nc1ccccc1SCc2ccc(nc2)Br 62a_100000210017_100009831999 [0,2,0,0,0,0|2,0,0]=4 6545 B17R2.496 Nc1ccccc1SCc2ccc(nc2)Br 62a_100009831999_100000210017 [0,2,0,0,0,0|2,0,0]=4 6546 B17R2.496 Nc1ccccc1SCc2ccc(nc2)Cl 62a_100000210017_100000735431 [0,2,0,0,0,0|2,0,0]=4 6547 B17R2.496 Nc1ccccc1SCc2ccc(nc2)Cl 62a_100000735431_100000210017 [0,2,0,0,0,0|2,0,0]=4 6548 B17R2.496 Nc1ccccc1SCc2ccc(nc2)F 62a_100000210017_100000099788 [0,2,0,0,0,0|2,0,0]=4 6549 B17R2.496 Nc1ccccc1SCc2ccc(nc2)F 62a_100009820150_100000210017 [0,2,0,0,0,0|2,0,0]=4 6550 B17R2.496 Nc1cccnc1SCc2ccc(cc2)Br 62a_100000189115_100000688686 [0,2,0,0,0,0|2,0,0]=4 6551 B17R2.496 Nc1cccnc1SCc2ccc(cc2)Br 62a_100000688686_100000189115 [0,2,0,0,0,0|2,0,0]=4 6552 B17R2.496 Nc1cccnc1SCc2ccc(cc2)Cl 62a_100000187161_100000688686 [0,2,0,0,0,0|2,0,0]=4 6553 B17R2.496 Nc1cccnc1SCc2ccc(cc2)Cl 62a_100000688686_100000187161 [0,2,0,0,0,0|2,0,0]=4 6554 B17R2.496 Nc1cccnc1SCc2ccc(cc2)F 62a_100000198546_100000688686 [0,2,0,0,0,0|2,0,0]=4 6555 B17R2.496 Nc1cccnc1SCc2ccc(cc2)F 62a_100000688686_100000187164 [0,2,0,0,0,0|2,0,0]=4 6556 B17R2.496 Nc1cccnc1SCc2ccc(cc2)I 62a_100000189116_100000688686 [0,2,0,0,0,0|2,0,0]=4 6557 B17R2.496 Nc1cccnc1SCc2ccc(cc2)I 62a_100000688686_100000189116 [0,2,0,0,0,0|2,0,0]=4 6558 B17R2.496 Nc1ccncc1SCc2ccc(cc2)Br 62a_100000047001_100000189115 [0,2,0,0,0,0|2,0,0]=4 6559 B17R2.496 Nc1ccncc1SCc2ccc(cc2)Br 62a_100000189115_100000047001 [0,2,0,0,0,0|2,0,0]=4 6560 B17R2.496 Nc1ccncc1SCc2ccc(cc2)Cl 62a_100000047001_100000187161 [0,2,0,0,0,0|2,0,0]=4 6561 B17R2.496 Nc1ccncc1SCc2ccc(cc2)Cl 62a_100000187161_100000047001 [0,2,0,0,0,0|2,0,0]=4 6562 B17R2.496 Nc1ccncc1SCc2ccc(cc2)F 62a_100000047001_100000187164 [0,2,0,0,0,0|2,0,0]=4 6563 B17R2.496 Nc1ccncc1SCc2ccc(cc2)F 62a_100000198546_100000047001 [0,2,0,0,0,0|2,0,0]=4 6564 B17R2.496 Nc1ccncc1SCc2ccc(cc2)I 62a_100000047001_100000189116 [0,2,0,0,0,0|2,0,0]=4 6565 B17R2.496 Nc1ccncc1SCc2ccc(cc2)I 62a_100000189116_100000047001 [0,2,0,0,0,0|2,0,0]=4 6566 B17R2.496 Nc1cnccc1SCc2ccc(cc2)Br 62a_100000189115_100000756074 [0,2,0,0,0,0|2,0,0]=4 6567 B17R2.496 Nc1cnccc1SCc2ccc(cc2)Br 62a_100000756074_100000189115 [0,2,0,0,0,0|2,0,0]=4 6568 B17R2.496 Nc1cnccc1SCc2ccc(cc2)Cl 62a_100000187161_100000756074 [0,2,0,0,0,0|2,0,0]=4 6569 B17R2.496 Nc1cnccc1SCc2ccc(cc2)Cl 62a_100000756074_100000187161 [0,2,0,0,0,0|2,0,0]=4 6570 B17R2.496 Nc1cnccc1SCc2ccc(cc2)F 62a_100000198546_100000756074 [0,2,0,0,0,0|2,0,0]=4 6571 B17R2.496 Nc1cnccc1SCc2ccc(cc2)F 62a_100000756074_100000187164 [0,2,0,0,0,0|2,0,0]=4 6572 B17R2.496 Nc1cnccc1SCc2ccc(cc2)I 62a_100000189116_100000756074 [0,2,0,0,0,0|2,0,0]=4 6573 B17R2.496 Nc1cnccc1SCc2ccc(cc2)I 62a_100000756074_100000189116 [0,2,0,0,0,0|2,0,0]=4 6574 B17R2.496 Nc1ncccc1SCc2ccc(cc2)Br 62a_100000045569_100000189115 [0,2,0,0,0,0|2,0,0]=4 6575 B17R2.496 Nc1ncccc1SCc2ccc(cc2)Br 62a_100000189115_100000045569 [0,2,0,0,0,0|2,0,0]=4 6576 B17R2.496 Nc1ncccc1SCc2ccc(cc2)Cl 62a_100000045569_100000187161 [0,2,0,0,0,0|2,0,0]=4 6577 B17R2.496 Nc1ncccc1SCc2ccc(cc2)Cl 62a_100000187161_100000045569 [0,2,0,0,0,0|2,0,0]=4 6578 B17R2.496 Nc1ncccc1SCc2ccc(cc2)F 62a_100000045569_100000187164 [0,2,0,0,0,0|2,0,0]=4 6579 B17R2.496 Nc1ncccc1SCc2ccc(cc2)F 62a_100000198546_100000045569 [0,2,0,0,0,0|2,0,0]=4 6580 B17R2.496 Nc1ncccc1SCc2ccc(cc2)I 62a_100000045569_100000189116 [0,2,0,0,0,0|2,0,0]=4 6581 B17R2.496 Nc1ncccc1SCc2ccc(cc2)I 62a_100000189116_100000045569 [0,2,0,0,0,0|2,0,0]=4 6582 B17R2.496 O=c1cc[nH]cc1SCc2ccc(cc2)Br 62a_100000189115_100009998708 [0,2,0,0,0,0|2,0,0]=4 6583 B17R2.496 O=c1cc[nH]cc1SCc2ccc(cc2)Br 62a_100009998708_100000189115 [0,2,0,0,0,0|2,0,0]=4 6584 B17R2.496 O=c1cc[nH]cc1SCc2ccc(cc2)Cl 62a_100000187161_100009998708 [0,2,0,0,0,0|2,0,0]=4 6585 B17R2.496 O=c1cc[nH]cc1SCc2ccc(cc2)Cl 62a_100009998708_100000187161 [0,2,0,0,0,0|2,0,0]=4 6586 B17R2.496 O=c1cc[nH]cc1SCc2ccc(cc2)F 62a_100000198546_100009998708 [0,2,0,0,0,0|2,0,0]=4 6587 B17R2.496 O=c1cc[nH]cc1SCc2ccc(cc2)F 62a_100009998708_100000187164 [0,2,0,0,0,0|2,0,0]=4 6588 B17R2.496 O=c1cc[nH]cc1SCc2ccc(cc2)I 62a_100000189116_100009998708 [0,2,0,0,0,0|2,0,0]=4 6589 B17R2.496 O=c1cc[nH]cc1SCc2ccc(cc2)I 62a_100009998708_100000189116 [0,2,0,0,0,0|2,0,0]=4 6590 B17R2.496 O=c1ccc(c[nH]1)SCc2ccccc2Br 62a_100000184730_100000212171 [0,2,0,0,0,0|2,0,0]=4 6591 B17R2.496 O=c1ccc(c[nH]1)SCc2ccccc2Br 62a_100000212171_100000184730 [0,2,0,0,0,0|2,0,0]=4 6592 B17R2.496 O=c1ccc(c[nH]1)SCc2ccccc2Cl 62a_100000187162_100000212171 [0,2,0,0,0,0|2,0,0]=4 6593 B17R2.496 O=c1ccc(c[nH]1)SCc2ccccc2Cl 62a_100000212171_100000187162 [0,2,0,0,0,0|2,0,0]=4 6594 B17R2.496 O=c1ccc(c[nH]1)SCc2ccccc2F 62a_100000211605_100000212171 [0,2,0,0,0,0|2,0,0]=4 6595 B17R2.496 O=c1ccc(c[nH]1)SCc2ccccc2F 62a_100000212171_100000211605 [0,2,0,0,0,0|2,0,0]=4 6596 B17R2.496 O=c1ccc(c[nH]1)SCc2ccccc2I 62a_100000212171_100011216222 [0,2,0,0,0,0|2,0,0]=4 6597 B17R2.496 O=c1ccc(c[nH]1)SCc2ccccc2I 62a_100011216222_100000212171 [0,2,0,0,0,0|2,0,0]=4 6598 B17R2.496 Oc1ccc(cc1)C=Cc2ccccc2F 271570a_200102527919_100000185759 [0,2,0,0,0,0|2,0,0]=4 6599 B17R2.496 Oc1ccc(cc1)NCc2ccccc2Br 270302a_100000185829_100000211189 [0,2,0,0,0,0|2,0,0]=4 6600 B17R2.496 Oc1ccc(cc1)NCc2ccccc2Br 34a_100000185829_100000184730 [0,2,0,0,0,0|2,0,0]=4 6601 B17R2.496 Oc1ccc(cc1)NCc2ccccc2Cl 270302a_100000185829_100000210073 [0,2,0,0,0,0|2,0,0]=4 6602 B17R2.496 Oc1ccc(cc1)NCc2ccccc2Cl 34a_100000185829_100000187162 [0,2,0,0,0,0|2,0,0]=4 6603 B17R2.496 Oc1ccc(cc1)NCc2ccccc2F 270302a_100000185829_100000210811 [0,2,0,0,0,0|2,0,0]=4 6604 B17R2.496 Oc1ccc(cc1)NCc2ccccc2F 34a_100000185829_100000211605 [0,2,0,0,0,0|2,0,0]=4 6605 B17R2.496 Oc1ccc(cc1)NCc2ccccc2I 34a_100000185829_100011215278 [0,2,0,0,0,0|2,0,0]=4 6606 B17R2.496 Oc1ccc(cc1)NCc2ccccc2O 270302a_100000185829_100000185834 [0,2,0,0,0,0|2,0,0]=4 6607 B17R2.496 Oc1ccc(cc1)NCc2ccccc2O 271570a_203496583355_200000313668 [0,2,0,0,0,0|2,0,0]=4 6608 B17R2.496 Oc1ccc(cc1)OCc2ccccc2F 271570a_203496583355_200000151781 [0,2,0,0,0,0|1,1,0]=4 6609 B17R2.496 Oc1ccc(cc1)SCc2ccccc2Br 62a_100000184730_100000185759 [0,2,0,0,0,0|1,0,0]=3 6610 B17R2.496 Oc1ccc(cc1)SCc2ccccc2Cl 62a_100000187162_100000185759 [0,2,0,0,0,0|1,0,0]=3 6611 B17R2.496 Oc1ccc(cc1)SCc2ccccc2F 62a_100000211605_100000185759 [0,2,0,0,0,0|1,0,0]=3 6612 B17R2.496 Oc1ccc(cc1)SCc2ccccc2I 62a_100011216222_100000185759 [0,2,0,0,0,0|1,0,0]=3 6613 B17R2.496 Oc1ccc(cc1)SCc2cccnc2Br 62a_100010140945_100000185759 [0,2,0,0,0,0|2,0,0]=4 6614 B17R2.496 Oc1ccc(cc1)SCc2cccnc2Cl 62a_100000045678_100000185759 [0,2,0,0,0,0|2,0,0]=4 6615 B17R2.496 Oc1ccc(cc1)SCc2cccnc2F 62a_100000099810_100000185759 [0,2,0,0,0,0|2,0,0]=4 6616 B17R2.496 Oc1ccc(cc1)SCc2ccncc2Cl 62a_100000763264_100000185759 [0,2,0,0,0,0|2,0,0]=4 6617 B17R2.496 Oc1ccc(cc1)SCc2ncccc2Br 62a_100025702911_100000185759 [0,2,0,0,0,0|2,0,0]=4 6618 B17R2.496 Oc1ccc(cc1)SCc2ncccc2Cl 62a_100000099807_100000185759 [0,2,0,0,0,0|2,0,0]=4 6619 B17R2.496 Oc1ccc(cc1)SCc2ncccc2F 62a_100000104219_100000185759 [0,2,0,0,0,0|2,0,0]=4 6620 B17R2.496 Oc1ccc(cc1)SCc2ncccc2O 62a_200020655725_100000185759 [0,2,0,0,0,0|2,0,0]=4 6621 B17R2.496 Oc1ccc(nc1)SCc2ccccc2Br 62a_100000184730_100000744096 [0,2,0,0,0,0|2,0,0]=4 6622 B17R2.496 Oc1ccc(nc1)SCc2ccccc2Br 62a_100000685995_100000184730 [0,2,0,0,0,0|2,0,0]=4 6623 B17R2.496 Oc1ccc(nc1)SCc2ccccc2Cl 62a_100000187162_100000744096 [0,2,0,0,0,0|2,0,0]=4 6624 B17R2.496 Oc1ccc(nc1)SCc2ccccc2Cl 62a_100000685995_100000187162 [0,2,0,0,0,0|2,0,0]=4 6625 B17R2.496 Oc1ccc(nc1)SCc2ccccc2F 62a_100000211605_100000744096 [0,2,0,0,0,0|2,0,0]=4 6626 B17R2.496 Oc1ccc(nc1)SCc2ccccc2F 62a_100000685995_100000211605 [0,2,0,0,0,0|2,0,0]=4 6627 B17R2.496 Oc1ccc(nc1)SCc2ccccc2I 62a_100000685995_100011216222 [0,2,0,0,0,0|2,0,0]=4 6628 B17R2.496 Oc1ccc(nc1)SCc2ccccc2I 62a_100011216222_100000744096 [0,2,0,0,0,0|2,0,0]=4 6629 B17R2.496 Oc1ccccc1C=Cc2ccc(cc2)Br 271570a_100102527914_100000739446 [0,2,0,0,0,0|2,0,0]=4 6630 B17R2.496 Oc1ccccc1C=Cc2ccc(cc2)Cl 271570a_100102527930_100000739446 [0,2,0,0,0,0|2,0,0]=4 6631 B17R2.496 Oc1ccccc1C=Cc2ccc(cc2)F 271570a_100102525539_100000739446 [0,2,0,0,0,0|2,0,0]=4 6632 B17R2.496 Oc1ccccc1CNc2ccc(cc2)Br 270302a_100000210018_100000185834 [0,2,0,0,0,0|2,0,0]=4 6633 B17R2.496 Oc1ccccc1CNc2ccc(cc2)Cl 270302a_100000210052_100000185834 [0,2,0,0,0,0|2,0,0]=4 6634 B17R2.496 Oc1ccccc1CNc2ccc(cc2)F 270302a_100000185862_100000185834 [0,2,0,0,0,0|2,0,0]=4 6635 B17R2.496 Oc1ccccc1CNc2ccc(cc2)I 270302a_100000185761_100000185834 [0,2,0,0,0,0|2,0,0]=4 6636 B17R2.496 Oc1ccccc1NCc2ccc(cc2)Br 34a_100000185747_100000189115 [0,2,0,0,0,0|2,0,0]=4 6637 B17R2.496 Oc1ccccc1NCc2ccc(cc2)Cl 34a_100000185747_100000694040 [0,2,0,0,0,0|2,0,0]=4 6638 B17R2.496 Oc1ccccc1NCc2ccc(cc2)F 34a_100000185747_100000198546 [0,2,0,0,0,0|2,0,0]=4 6639 B17R2.496 Oc1ccccc1NCc2ccc(cc2)I 34a_100000185747_100000189116 [0,2,0,0,0,0|2,0,0]=4 6640 B17R2.496 Oc1ccccc1OCc2ccc(cc2)F 271570a_203496583355_200000151720 [0,2,0,0,0,0|1,1,0]=4 6641 B17R2.496 Oc1ccccc1SCc2ccc(cc2)Br 62a_100000189115_100000739446 [0,2,0,0,0,0|1,0,0]=3 6642 B17R2.496 Oc1ccccc1SCc2ccc(cc2)Br 62a_100000739446_100000189115 [0,2,0,0,0,0|1,0,0]=3 6643 B17R2.496 Oc1ccccc1SCc2ccc(cc2)Cl 62a_100000187161_100000739446 [0,2,0,0,0,0|1,0,0]=3 6644 B17R2.496 Oc1ccccc1SCc2ccc(cc2)Cl 62a_100000739446_100000187161 [0,2,0,0,0,0|1,0,0]=3 6645 B17R2.496 Oc1ccccc1SCc2ccc(cc2)F 62a_100000198546_100000739446 [0,2,0,0,0,0|1,0,0]=3 6646 B17R2.496 Oc1ccccc1SCc2ccc(cc2)F 62a_100000739446_100000187164 [0,2,0,0,0,0|1,0,0]=3 6647 B17R2.496 Oc1ccccc1SCc2ccc(cc2)I 62a_100000189116_100000739446 [0,2,0,0,0,0|1,0,0]=3 6648 B17R2.496 Oc1ccccc1SCc2ccc(cc2)I 62a_100000739446_100000189116 [0,2,0,0,0,0|1,0,0]=3 6649 B17R2.496 Oc1ccccc1SCc2ccc(cn2)Br 62a_100000702658_100000739446 [0,2,0,0,0,0|2,0,0]=4 6650 B17R2.496 Oc1ccccc1SCc2ccc(cn2)Br 62a_100000739446_100000702658 [0,2,0,0,0,0|2,0,0]=4 6651 B17R2.496 Oc1ccccc1SCc2ccc(cn2)Cl 62a_100000739446_100000697101 [0,2,0,0,0,0|2,0,0]=4 6652 B17R2.496 Oc1ccccc1SCc2ccc(cn2)Cl 62a_100012066911_100000739446 [0,2,0,0,0,0|2,0,0]=4 6653 B17R2.496 Oc1ccccc1SCc2ccc(cn2)F 62a_100000703193_100000739446 [0,2,0,0,0,0|2,0,0]=4 6654 B17R2.496 Oc1ccccc1SCc2ccc(cn2)F 62a_100000739446_100000703193 [0,2,0,0,0,0|2,0,0]=4 6655 B17R2.496 Oc1ccccc1SCc2ccc(nc2)Br 62a_100000739446_100009831999 [0,2,0,0,0,0|2,0,0]=4 6656 B17R2.496 Oc1ccccc1SCc2ccc(nc2)Br 62a_100009831999_100000739446 [0,2,0,0,0,0|2,0,0]=4 6657 B17R2.496 Oc1ccccc1SCc2ccc(nc2)Cl 62a_100000735431_100000739446 [0,2,0,0,0,0|2,0,0]=4 6658 B17R2.496 Oc1ccccc1SCc2ccc(nc2)Cl 62a_100000739446_100000735431 [0,2,0,0,0,0|2,0,0]=4 6659 B17R2.496 Oc1ccccc1SCc2ccc(nc2)F 62a_100000739446_100000099788 [0,2,0,0,0,0|2,0,0]=4 6660 B17R2.496 Oc1ccccc1SCc2ccc(nc2)F 62a_100009820150_100000739446 [0,2,0,0,0,0|2,0,0]=4 6661 B17R2.496 Oc1cccnc1CSc2ccc(cc2)Br 62a_100000752885_200020655725 [0,2,0,0,0,0|2,0,0]=4 6662 B17R2.496 Oc1cccnc1CSc2ccc(cc2)Br 62a_200020655725_100000752885 [0,2,0,0,0,0|2,0,0]=4 6663 B17R2.496 Oc1cccnc1CSc2ccc(cc2)Cl 62a_100000755918_200020655725 [0,2,0,0,0,0|2,0,0]=4 6664 B17R2.496 Oc1cccnc1CSc2ccc(cc2)Cl 62a_200020655725_100000755918 [0,2,0,0,0,0|2,0,0]=4 6665 B17R2.496 Oc1cccnc1CSc2ccc(cc2)F 62a_100000211213_200020655725 [0,2,0,0,0,0|2,0,0]=4 6666 B17R2.496 Oc1cccnc1CSc2ccc(cc2)F 62a_200020655725_100000211213 [0,2,0,0,0,0|2,0,0]=4 6667 B17R2.496 Oc1cccnc1SCc2ccc(cc2)Br 62a_100000034122_100000189115 [0,2,0,0,0,0|2,0,0]=4 6668 B17R2.496 Oc1cccnc1SCc2ccc(cc2)Br 62a_100000189115_100000034122 [0,2,0,0,0,0|2,0,0]=4 6669 B17R2.496 Oc1cccnc1SCc2ccc(cc2)Cl 62a_100000034122_100000187161 [0,2,0,0,0,0|2,0,0]=4 6670 B17R2.496 Oc1cccnc1SCc2ccc(cc2)Cl 62a_100000187161_100000034122 [0,2,0,0,0,0|2,0,0]=4 6671 B17R2.496 Oc1cccnc1SCc2ccc(cc2)F 62a_100000034122_100000187164 [0,2,0,0,0,0|2,0,0]=4 6672 B17R2.496 Oc1cccnc1SCc2ccc(cc2)F 62a_100000198546_100000034122 [0,2,0,0,0,0|2,0,0]=4 6673 B17R2.496 Oc1cccnc1SCc2ccc(cc2)I 62a_100000034122_100000189116 [0,2,0,0,0,0|2,0,0]=4 6674 B17R2.496 Oc1cccnc1SCc2ccc(cc2)I 62a_100000189116_100000034122 [0,2,0,0,0,0|2,0,0]=4 6675 B17R2.496 Oc1cnccc1SCc2ccc(cc2)Br 62a_100000189115_100009817591 [0,2,0,0,0,0|2,0,0]=4 6676 B17R2.496 Oc1cnccc1SCc2ccc(cc2)Br 62a_100009817591_100000189115 [0,2,0,0,0,0|2,0,0]=4 6677 B17R2.496 Oc1cnccc1SCc2ccc(cc2)Cl 62a_100000187161_100009817591 [0,2,0,0,0,0|2,0,0]=4 6678 B17R2.496 Oc1cnccc1SCc2ccc(cc2)Cl 62a_100009817591_100000187161 [0,2,0,0,0,0|2,0,0]=4 6679 B17R2.496 Oc1cnccc1SCc2ccc(cc2)F 62a_100000198546_100009817591 [0,2,0,0,0,0|2,0,0]=4 6680 B17R2.496 Oc1cnccc1SCc2ccc(cc2)F 62a_100009817591_100000187164 [0,2,0,0,0,0|2,0,0]=4 6681 B17R2.496 Oc1cnccc1SCc2ccc(cc2)I 62a_100000189116_100009817591 [0,2,0,0,0,0|2,0,0]=4 6682 B17R2.496 Oc1cnccc1SCc2ccc(cc2)I 62a_100009817591_100000189116 [0,2,0,0,0,0|2,0,0]=4 6683 B17R2.496 Oc1ncccc1SCc2ccc(cc2)Br 62a_100000189115_100000760158 [0,2,0,0,0,0|2,0,0]=4 6684 B17R2.496 Oc1ncccc1SCc2ccc(cc2)Br 62a_100000760158_100000189115 [0,2,0,0,0,0|2,0,0]=4 6685 B17R2.496 Oc1ncccc1SCc2ccc(cc2)Cl 62a_100000187161_100000760158 [0,2,0,0,0,0|2,0,0]=4 6686 B17R2.496 Oc1ncccc1SCc2ccc(cc2)Cl 62a_100000760158_100000187161 [0,2,0,0,0,0|2,0,0]=4 6687 B17R2.496 Oc1ncccc1SCc2ccc(cc2)F 62a_100000198546_100000760158 [0,2,0,0,0,0|2,0,0]=4 6688 B17R2.496 Oc1ncccc1SCc2ccc(cc2)F 62a_100000760158_100000187164 [0,2,0,0,0,0|2,0,0]=4 6689 B17R2.496 Oc1ncccc1SCc2ccc(cc2)I 62a_100000189116_100000760158 [0,2,0,0,0,0|2,0,0]=4 6690 B17R2.496 Oc1ncccc1SCc2ccc(cc2)I 62a_100000760158_100000189116 [0,2,0,0,0,0|2,0,0]=4 6691 B17R2.496 S=c1cc[nH]cc1SCc2ccc(cc2)Br 62a_100000189115_200012280681 [0,2,0,0,0,0|2,0,0]=4 6692 B17R2.496 S=c1cc[nH]cc1SCc2ccc(cc2)Br 62a_200012280681_100000189115 [0,2,0,0,0,0|2,0,0]=4 6693 B17R2.496 S=c1cc[nH]cc1SCc2ccc(cc2)Cl 62a_100000187161_200012280681 [0,2,0,0,0,0|2,0,0]=4 6694 B17R2.496 S=c1cc[nH]cc1SCc2ccc(cc2)Cl 62a_200012280681_100000187161 [0,2,0,0,0,0|2,0,0]=4 6695 B17R2.496 S=c1cc[nH]cc1SCc2ccc(cc2)I 62a_100000189116_200012280681 [0,2,0,0,0,0|2,0,0]=4 6696 B17R2.496 S=c1cc[nH]cc1SCc2ccc(cc2)I 62a_200012280681_100000189116 [0,2,0,0,0,0|2,0,0]=4 6697 B17R2.496 [O-][n+]1ccc(cc1)SCc2ccccc2Br 62a_100000184730_100000039755 [0,2,0,0,0,0|2,0,0]=4 6698 B17R2.496 [O-][n+]1ccc(cc1)SCc2ccccc2Cl 62a_100000187162_100000039755 [0,2,0,0,0,0|2,0,0]=4 6699 B17R2.496 [O-][n+]1ccc(cc1)SCc2ccccc2F 62a_100000211605_100000039755 [0,2,0,0,0,0|2,0,0]=4 6700 B17R2.496 [O-][n+]1ccc(cc1)SCc2ccccc2I 62a_100011216222_100000039755 [0,2,0,0,0,0|2,0,0]=4 6701 B17R2.496 [O-][n+]1ccccc1SCc2ccc(cc2)Br 62a_100000189115_200000042595 [0,2,0,0,0,0|2,0,0]=4 6702 B17R2.496 [O-][n+]1ccccc1SCc2ccc(cc2)Cl 62a_100000187161_200000042595 [0,2,0,0,0,0|2,0,0]=4 6703 B17R2.496 [O-][n+]1ccccc1SCc2ccc(cc2)F 62a_100000198546_200000042595 [0,2,0,0,0,0|2,0,0]=4 6704 B17R2.496 [O-][n+]1ccccc1SCc2ccc(cc2)I 62a_100000189116_200000042595 [0,2,0,0,0,0|2,0,0]=4 6705 B17R2.3417 CC(Nc1ccccc1)c2ccccc2F 34a_100000106764_200000741388 [0,2,0,0,0,0|2,0,0]=4 6706 B17R2.3417 CC(Oc1ccccc1)c2ccccc2Cl 7a_100000210340_100000181259 [0,2,0,0,0,0|1,1,0]=4 6707 B17R2.3417 CC(Oc1ccccc1)c2ccccc2F 34a_100000210340_200000741388 [0,2,0,0,0,0|1,1,0]=4 6708 B17R2.3417 CC(Oc1ccccc1)c2ccccc2F 7a_100000210340_200000741388 [0,2,0,0,0,0|1,1,0]=4 6709 B17R2.3417 CC(Sc1ccccc1)c2ccccc2Cl 62a_100000181259_100000041952 [0,2,0,0,0,0|1,0,0]=3 6710 B17R2.3417 CC(Sc1ccccc1)c2ccccc2Cl 62a_100000719477_100000181259 [0,2,0,0,0,0|1,0,0]=3 6711 B17R2.3417 CC(Sc1ccccc1)c2ccccc2F 62a_100000719477_200000741388 [0,2,0,0,0,0|1,0,0]=3 6712 B17R2.3417 CC(Sc1ccccc1)c2ccccc2F 62a_200000741388_100000041952 [0,2,0,0,0,0|1,0,0]=3 6713 B17R2.3417 CC(Sc1ccccn1)c2ccccc2Cl 62a_100000181259_100011216584 [0,2,0,0,0,0|2,0,0]=4 6714 B17R2.3417 CC(Sc1ccccn1)c2ccccc2Cl 62a_100011216584_100000181259 [0,2,0,0,0,0|2,0,0]=4 6715 B17R2.3417 CC(Sc1ccccn1)c2ccccc2F 62a_100011216584_200000741388 [0,2,0,0,0,0|2,0,0]=4 6716 B17R2.3417 CC(Sc1ccccn1)c2ccccc2F 62a_200000741388_100011216584 [0,2,0,0,0,0|2,0,0]=4 6717 B17R2.3417 CC(Sc1cccnc1)c2ccccc2Cl 62a_100000181259_100000210063 [0,2,0,0,0,0|2,0,0]=4 6718 B17R2.3417 CC(Sc1cccnc1)c2ccccc2Cl 62a_100000210063_100000181259 [0,2,0,0,0,0|2,0,0]=4 6719 B17R2.3417 CC(Sc1cccnc1)c2ccccc2F 62a_100000210063_200000741388 [0,2,0,0,0,0|2,0,0]=4 6720 B17R2.3417 CC(Sc1cccnc1)c2ccccc2F 62a_200000741388_100000210063 [0,2,0,0,0,0|2,0,0]=4 6721 B17R2.3417 CC(Sc1ccncc1)c2ccccc2Cl 62a_100000181259_100000728582 [0,2,0,0,0,0|2,0,0]=4 6722 B17R2.3417 CC(Sc1ccncc1)c2ccccc2Cl 62a_100000728582_100000181259 [0,2,0,0,0,0|2,0,0]=4 6723 B17R2.3417 CC(Sc1ccncc1)c2ccccc2F 62a_100000728582_200000741388 [0,2,0,0,0,0|2,0,0]=4 6724 B17R2.3417 CC(Sc1ccncc1)c2ccccc2F 62a_200000741388_100000728582 [0,2,0,0,0,0|2,0,0]=4 6725 B17R2.3417 CN(Cc1ccccc1)c2ccccc2Br 2230a_100020606079_100015291786 [0,2,0,0,0,0|2,0,0]=4 6726 B17R2.3417 CN(Cc1ccccc1)c2ccccc2Br 269982a_100020606079_100000211182 [0,2,0,0,0,0|2,0,0]=4 6727 B17R2.3417 CN(Cc1ccccc1)c2ccccc2Br 34a_100020606079_100015291786 [0,2,0,0,0,0|2,0,0]=4 6728 B17R2.3417 CN(Cc1ccccc1)c2ccccc2Cl 2230a_100000219374_100015291786 [0,2,0,0,0,0|2,0,0]=4 6729 B17R2.3417 CN(Cc1ccccc1)c2ccccc2Cl 269982a_100000219374_100000211182 [0,2,0,0,0,0|2,0,0]=4 6730 B17R2.3417 CN(Cc1ccccc1)c2ccccc2Cl 34a_100000219374_100015291786 [0,2,0,0,0,0|2,0,0]=4 6731 B17R2.3417 CN(Cc1ccccc1)c2ccccc2F 2230a_100000220357_100015291786 [0,2,0,0,0,0|2,0,0]=4 6732 B17R2.3417 CN(Cc1ccccc1)c2ccccc2F 2230a_100025753533_200000210301 [0,2,0,0,0,0|2,0,0]=4 6733 B17R2.3417 CN(Cc1ccccc1)c2ccccc2F 269982a_100000220357_100000211182 [0,2,0,0,0,0|2,0,0]=4 6734 B17R2.3417 CN(Cc1ccccc1)c2ccccc2F 269982a_100025753533_200000210301 [0,2,0,0,0,0|2,0,0]=4 6735 B17R2.3417 CN(Cc1ccccc1)c2ccccc2F 34a_100000220357_100015291786 [0,2,0,0,0,0|2,0,0]=4 6736 B17R2.3417 CN(Cc1ccccc1)c2ccccc2F 34a_100025753533_200000210301 [0,2,0,0,0,0|2,0,0]=4 6737 B17R2.3417 CN(Cc1ccccc1)c2ccccc2F 38a_100000220357_100015291786 [0,2,0,0,0,0|2,0,0]=4 6738 B17R2.3417 CN(Cc1ccccc1)c2ccccc2O 269982a_100000033821_100000211182 [0,2,0,0,0,0|2,0,0]=4 6739 B17R2.3417 Cc1ccccc1C(=O)Cc2ccccc2 1458a_100000212026_100015291786 [0,2,0,0,0,0|2,0,0]=4 6740 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 11a_100000106764_100000212026 [0,2,0,0,0,0|2,0,0]=4 6741 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 1626a_100000106764_100000212026 [0,2,0,0,0,0|2,0,0]=4 6742 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 22a_100000106764_100000212026 [0,2,0,0,0,0|2,0,0]=4 6743 B17R2.3417 Cc1ccccc1C(=O)Nc2ccccc2 527a_100000106764_100000212026 [0,2,0,0,0,0|2,0,0]=4 6744 B17R2.3417 Cc1ccccc1N(C)Cc2ccccc2 2230a_100000219699_100015291786 [0,2,0,0,0,0|2,0,0]=4 6745 B17R2.3417 Cc1ccccc1N(C)Cc2ccccc2 2230a_100102946366_200000210301 [0,2,0,0,0,0|2,0,0]=4 6746 B17R2.3417 Cc1ccccc1N(C)Cc2ccccc2 269982a_100000219699_100000211182 [0,2,0,0,0,0|2,0,0]=4 6747 B17R2.3417 Cc1ccccc1N(C)Cc2ccccc2 269982a_100102946366_200000210301 [0,2,0,0,0,0|2,0,0]=4 6748 B17R2.3417 Cc1ccccc1N(C)Cc2ccccc2 34a_100000219699_100015291786 [0,2,0,0,0,0|2,0,0]=4 6749 B17R2.3417 Cc1ccccc1N(C)Cc2ccccc2 34a_100102946366_200000210301 [0,2,0,0,0,0|2,0,0]=4 6750 B17R2.3417 Cc1ccccc1N([13CH3])Cc2ccccc2 2230a_100102946366_200025704644 [0,2,0,0,0,0|2,0,0]=4 6751 B17R2.3417 Cc1ccccc1N([13CH3])Cc2ccccc2 269982a_100102946366_200025704644 [0,2,0,0,0,0|2,0,0]=4 6752 B17R2.3417 Cc1ccccc1N([13CH3])Cc2ccccc2 34a_100102946366_200025704644 [0,2,0,0,0,0|2,0,0]=4 6753 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2Br 1458a_100000188424_100015291786 [0,2,0,0,0,0|2,0,0]=4 6754 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2Cl 1458a_100000185844_100015291786 [0,2,0,0,0,0|2,0,0]=4 6755 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2F 1458a_100000188656_100015291786 [0,2,0,0,0,0|2,0,0]=4 6756 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2I 1458a_100000187884_100015291786 [0,2,0,0,0,0|2,0,0]=4 6757 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2O 1458a_100015234032_100015291786 [0,2,0,0,0,0|2,0,0]=4 6758 B17R2.3417 O=C(Cc1ccccc1)c2ccccc2[O-] 1458a_100009911694_100015291786 [0,2,0,0,0,0|2,0,0]=4 6759 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Br 11a_100000106764_100000188424 [0,2,0,0,0,0|2,0,0]=4 6760 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Br 1626a_100000106764_100000188424 [0,2,0,0,0,0|2,0,0]=4 6761 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Br 22a_100000106764_100000188424 [0,2,0,0,0,0|2,0,0]=4 6762 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Br 527a_100000106764_100000188424 [0,2,0,0,0,0|2,0,0]=4 6763 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Cl 11a_100000106764_100000185844 [0,2,0,0,0,0|2,0,0]=4 6764 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Cl 1626a_100000106764_100000185844 [0,2,0,0,0,0|2,0,0]=4 6765 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Cl 22a_100000106764_100000185844 [0,2,0,0,0,0|2,0,0]=4 6766 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2Cl 527a_100000106764_100000185844 [0,2,0,0,0,0|2,0,0]=4 6767 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2F 11a_100000106764_100000188656 [0,2,0,0,0,0|2,0,0]=4 6768 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2F 1626a_100000106764_100000188656 [0,2,0,0,0,0|2,0,0]=4 6769 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2F 22a_100000106764_100000188656 [0,2,0,0,0,0|2,0,0]=4 6770 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2F 527a_100000106764_100000188656 [0,2,0,0,0,0|2,0,0]=4 6771 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2I 11a_100000106764_100000187884 [0,2,0,0,0,0|2,0,0]=4 6772 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2I 1626a_100000106764_100000187884 [0,2,0,0,0,0|2,0,0]=4 6773 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2I 22a_100000106764_100000187884 [0,2,0,0,0,0|2,0,0]=4 6774 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2I 527a_100000106764_100000187884 [0,2,0,0,0,0|2,0,0]=4 6775 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2O 22a_100000106764_100015234032 [0,2,0,0,0,0|2,0,0]=4 6776 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2[O-] 1626a_100000106764_100009911694 [0,2,0,0,0,0|2,0,0]=4 6777 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2[O-] 22a_100000106764_100009911694 [0,2,0,0,0,0|2,0,0]=4 6778 B17R2.3417 O=C(Nc1ccccc1)c2ccccc2[O-] 527a_100000106764_100009911694 [0,2,0,0,0,0|2,0,0]=4 6779 B17R2.3417 [13CH3]N(Cc1ccccc1)c2ccccc2F 2230a_100025753533_200025704644 [0,2,0,0,0,0|2,0,0]=4 6780 B17R2.3417 [13CH3]N(Cc1ccccc1)c2ccccc2F 269982a_100025753533_200025704644 [0,2,0,0,0,0|2,0,0]=4 6781 B17R2.3417 [13CH3]N(Cc1ccccc1)c2ccccc2F 34a_100025753533_200025704644 [0,2,0,0,0,0|2,0,0]=4 6782 B17R2.3426 CC(Cc1ccccc1Br)c2ccccc2 271570a_100000062452_100000695589 [0,2,0,0,0,0|2,0,0]=4 6783 B17R2.3426 CC(Cc1ccccc1Cl)c2ccccc2 271570a_100000062452_100000764095 [0,2,0,0,0,0|2,0,0]=4 6784 B17R2.3426 CC(Cc1ccccc1F)c2ccccc2 271570a_100000062452_100011215700 [0,2,0,0,0,0|2,0,0]=4 6785 B17R2.3426 CC(Cc1ccccc1N)c2ccccc2 271570a_100000062452_100000210017 [0,2,0,0,0,0|2,0,0]=4 6786 B17R2.3426 CC(Cc1ccccc1O)c2ccccc2 271570a_100000062452_100000739446 [0,2,0,0,0,0|2,0,0]=4 6787 B17R2.3426 CC(Nc1ccccc1Br)c2ccccc2 34a_100000210017_100000211855 [0,2,0,0,0,0|2,0,0]=4 6788 B17R2.3426 CC(Nc1ccccc1Cl)c2ccccc2 34a_100000185783_100000211855 [0,2,0,0,0,0|2,0,0]=4 6789 B17R2.3426 CC(Nc1ccccc1F)c2ccccc2 34a_100000210422_100000211855 [0,2,0,0,0,0|2,0,0]=4 6790 B17R2.3426 CC(Nc1ccccc1I)c2ccccc2 34a_100000210053_100000211855 [0,2,0,0,0,0|2,0,0]=4 6791 B17R2.3426 CC(Nc1ccccc1O)c2ccccc2 34a_100000185747_100000211855 [0,2,0,0,0,0|2,0,0]=4 6792 B17R2.3426 CC(Oc1ccccc1Br)c2ccccc2 34a_100000181306_100000211855 [0,2,0,0,0,0|1,1,0]=4 6793 B17R2.3426 CC(Oc1ccccc1Br)c2ccccc2 7a_100000181306_100000230085 [0,2,0,0,0,0|1,1,0]=4 6794 B17R2.3426 CC(Oc1ccccc1Cl)c2ccccc2 34a_100000210172_100000211855 [0,2,0,0,0,0|1,1,0]=4 6795 B17R2.3426 CC(Oc1ccccc1Cl)c2ccccc2 7a_100000210172_100000230085 [0,2,0,0,0,0|1,1,0]=4 6796 B17R2.3426 CC(Oc1ccccc1F)c2ccccc2 34a_100000210171_100000211855 [0,2,0,0,0,0|1,1,0]=4 6797 B17R2.3426 CC(Oc1ccccc1F)c2ccccc2 7a_100000210171_100000230085 [0,2,0,0,0,0|1,1,0]=4 6798 B17R2.3426 CC(Oc1ccccc1I)c2ccccc2 34a_100000739446_100000211855 [0,2,0,0,0,0|1,1,0]=4 6799 B17R2.3426 CC(Oc1ccccc1I)c2ccccc2 7a_100000739446_100000230085 [0,2,0,0,0,0|1,1,0]=4 6800 B17R2.3426 CC(Oc1ccccc1N)c2ccccc2 34a_100000185747_100000211855 [0,2,0,0,0,0|1,1,0]=4 6801 B17R2.3426 CC(Oc1ccccc1N)c2ccccc2 7a_100000185747_100000230085 [0,2,0,0,0,0|1,1,0]=4 6802 B17R2.3426 CC(Sc1c[nH]ccc1=O)c2ccccc2 62a_100000230085_100009998708 [0,2,0,0,0,0|2,0,0]=4 6803 B17R2.3426 CC(Sc1c[nH]ccc1=O)c2ccccc2 62a_100009998708_100000230085 [0,2,0,0,0,0|2,0,0]=4 6804 B17R2.3426 CC(Sc1c[nH]ccc1=S)c2ccccc2 62a_100000230085_200012280681 [0,2,0,0,0,0|2,0,0]=4 6805 B17R2.3426 CC(Sc1c[nH]ccc1=S)c2ccccc2 62a_200012280681_100000230085 [0,2,0,0,0,0|2,0,0]=4 6806 B17R2.3426 CC(Sc1cccc[n+]1C)c2ccccc2 62a_100000230085_100000212160 [0,2,0,0,0,0|2,0,0]=4 6807 B17R2.3426 CC(Sc1cccc[n+]1[O-])c2ccccc2 62a_100000230085_200000042595 [0,2,0,0,0,0|2,0,0]=4 6808 B17R2.3426 CC(Sc1ccccc1Br)c2ccccc2 62a_100000230085_100000695589 [0,2,0,0,0,0|1,0,0]=3 6809 B17R2.3426 CC(Sc1ccccc1Br)c2ccccc2 62a_100000695589_100000230085 [0,2,0,0,0,0|1,0,0]=3 6810 B17R2.3426 CC(Sc1ccccc1Cl)c2ccccc2 62a_100000230085_100000764095 [0,2,0,0,0,0|1,0,0]=3 6811 B17R2.3426 CC(Sc1ccccc1Cl)c2ccccc2 62a_100000764095_100000230085 [0,2,0,0,0,0|1,0,0]=3 6812 B17R2.3426 CC(Sc1ccccc1F)c2ccccc2 62a_100000230085_100011215700 [0,2,0,0,0,0|1,0,0]=3 6813 B17R2.3426 CC(Sc1ccccc1F)c2ccccc2 62a_100011215700_100000230085 [0,2,0,0,0,0|1,0,0]=3 6814 B17R2.3426 CC(Sc1ccccc1N)c2ccccc2 62a_100000210017_100000230085 [0,2,0,0,0,0|1,0,0]=3 6815 B17R2.3426 CC(Sc1ccccc1N)c2ccccc2 62a_100000230085_100000210017 [0,2,0,0,0,0|1,0,0]=3 6816 B17R2.3426 CC(Sc1ccccc1O)c2ccccc2 62a_100000230085_100000739446 [0,2,0,0,0,0|1,0,0]=3 6817 B17R2.3426 CC(Sc1ccccc1O)c2ccccc2 62a_100000739446_100000230085 [0,2,0,0,0,0|1,0,0]=3 6818 B17R2.3426 CC(Sc1cccnc1Br)c2ccccc2 62a_100000230085_100010202626 [0,2,0,0,0,0|2,0,0]=4 6819 B17R2.3426 CC(Sc1cccnc1Br)c2ccccc2 62a_100010202626_100000230085 [0,2,0,0,0,0|2,0,0]=4 6820 B17R2.3426 CC(Sc1cccnc1Cl)c2ccccc2 62a_100000036424_100000230085 [0,2,0,0,0,0|2,0,0]=4 6821 B17R2.3426 CC(Sc1cccnc1Cl)c2ccccc2 62a_100000230085_100000036424 [0,2,0,0,0,0|2,0,0]=4 6822 B17R2.3426 CC(Sc1cccnc1F)c2ccccc2 62a_100000230085_100009816115 [0,2,0,0,0,0|2,0,0]=4 6823 B17R2.3426 CC(Sc1cccnc1F)c2ccccc2 62a_100009816115_100000230085 [0,2,0,0,0,0|2,0,0]=4 6824 B17R2.3426 CC(Sc1cccnc1N)c2ccccc2 62a_100000045569_100000230085 [0,2,0,0,0,0|2,0,0]=4 6825 B17R2.3426 CC(Sc1cccnc1N)c2ccccc2 62a_100000230085_100000045569 [0,2,0,0,0,0|2,0,0]=4 6826 B17R2.3426 CC(Sc1cccnc1O)c2ccccc2 62a_100000230085_100000760158 [0,2,0,0,0,0|2,0,0]=4 6827 B17R2.3426 CC(Sc1cccnc1O)c2ccccc2 62a_100000760158_100000230085 [0,2,0,0,0,0|2,0,0]=4 6828 B17R2.3426 CC(Sc1ccncc1Br)c2ccccc2 62a_100000230085_100000726257 [0,2,0,0,0,0|2,0,0]=4 6829 B17R2.3426 CC(Sc1ccncc1Br)c2ccccc2 62a_100000726257_100000230085 [0,2,0,0,0,0|2,0,0]=4 6830 B17R2.3426 CC(Sc1ccncc1Cl)c2ccccc2 62a_100000230085_100000708259 [0,2,0,0,0,0|2,0,0]=4 6831 B17R2.3426 CC(Sc1ccncc1Cl)c2ccccc2 62a_100000708259_100000230085 [0,2,0,0,0,0|2,0,0]=4 6832 B17R2.3426 CC(Sc1ccncc1F)c2ccccc2 62a_100000047030_100000230085 [0,2,0,0,0,0|2,0,0]=4 6833 B17R2.3426 CC(Sc1ccncc1F)c2ccccc2 62a_100000230085_100000047030 [0,2,0,0,0,0|2,0,0]=4 6834 B17R2.3426 CC(Sc1ccncc1N)c2ccccc2 62a_100000230085_100000756074 [0,2,0,0,0,0|2,0,0]=4 6835 B17R2.3426 CC(Sc1ccncc1N)c2ccccc2 62a_100000756074_100000230085 [0,2,0,0,0,0|2,0,0]=4 6836 B17R2.3426 CC(Sc1ccncc1O)c2ccccc2 62a_100000230085_100009817591 [0,2,0,0,0,0|2,0,0]=4 6837 B17R2.3426 CC(Sc1ccncc1O)c2ccccc2 62a_100009817591_100000230085 [0,2,0,0,0,0|2,0,0]=4 6838 B17R2.3426 CC(Sc1cnccc1Br)c2ccccc2 62a_100000230085_100010138639 [0,2,0,0,0,0|2,0,0]=4 6839 B17R2.3426 CC(Sc1cnccc1Br)c2ccccc2 62a_100010138639_100000230085 [0,2,0,0,0,0|2,0,0]=4 6840 B17R2.3426 CC(Sc1cnccc1Cl)c2ccccc2 62a_100000230085_100009995489 [0,2,0,0,0,0|2,0,0]=4 6841 B17R2.3426 CC(Sc1cnccc1Cl)c2ccccc2 62a_100009995489_100000230085 [0,2,0,0,0,0|2,0,0]=4 6842 B17R2.3426 CC(Sc1cnccc1F)c2ccccc2 62a_100000230085_100009820683 [0,2,0,0,0,0|2,0,0]=4 6843 B17R2.3426 CC(Sc1cnccc1F)c2ccccc2 62a_100009820683_100000230085 [0,2,0,0,0,0|2,0,0]=4 6844 B17R2.3426 CC(Sc1cnccc1N)c2ccccc2 62a_100000047001_100000230085 [0,2,0,0,0,0|2,0,0]=4 6845 B17R2.3426 CC(Sc1cnccc1N)c2ccccc2 62a_100000230085_100000047001 [0,2,0,0,0,0|2,0,0]=4 6846 B17R2.3426 CC(Sc1ncccc1Br)c2ccccc2 62a_100000230085_100000696092 [0,2,0,0,0,0|2,0,0]=4 6847 B17R2.3426 CC(Sc1ncccc1Br)c2ccccc2 62a_100000696092_100000230085 [0,2,0,0,0,0|2,0,0]=4 6848 B17R2.3426 CC(Sc1ncccc1Cl)c2ccccc2 62a_100000230085_100011356963 [0,2,0,0,0,0|2,0,0]=4 6849 B17R2.3426 CC(Sc1ncccc1Cl)c2ccccc2 62a_100011356963_100000230085 [0,2,0,0,0,0|2,0,0]=4 6850 B17R2.3426 CC(Sc1ncccc1F)c2ccccc2 62a_100000230085_100000685392 [0,2,0,0,0,0|2,0,0]=4 6851 B17R2.3426 CC(Sc1ncccc1F)c2ccccc2 62a_100000685392_100000230085 [0,2,0,0,0,0|2,0,0]=4 6852 B17R2.3426 CC(Sc1ncccc1N)c2ccccc2 62a_100000230085_100000688686 [0,2,0,0,0,0|2,0,0]=4 6853 B17R2.3426 CC(Sc1ncccc1N)c2ccccc2 62a_100000688686_100000230085 [0,2,0,0,0,0|2,0,0]=4 6854 B17R2.3426 CC(Sc1ncccc1O)c2ccccc2 62a_100000034122_100000230085 [0,2,0,0,0,0|2,0,0]=4 6855 B17R2.3426 CC(Sc1ncccc1O)c2ccccc2 62a_100000230085_100000034122 [0,2,0,0,0,0|2,0,0]=4 6856 B17R2.3426 CN(Cc1ccccc1Br)c2ccccc2 2230a_100000210012_100000184730 [0,2,0,0,0,0|2,0,0]=4 6857 B17R2.3426 CN(Cc1ccccc1Br)c2ccccc2 269982a_100000210012_100000184730 [0,2,0,0,0,0|2,0,0]=4 6858 B17R2.3426 CN(Cc1ccccc1Br)c2ccccc2 34a_100000210012_100000184730 [0,2,0,0,0,0|2,0,0]=4 6859 B17R2.3426 CN(Cc1ccccc1Cl)c2ccccc2 2230a_100000210012_100000187162 [0,2,0,0,0,0|2,0,0]=4 6860 B17R2.3426 CN(Cc1ccccc1Cl)c2ccccc2 269982a_100000210012_100000187162 [0,2,0,0,0,0|2,0,0]=4 6861 B17R2.3426 CN(Cc1ccccc1Cl)c2ccccc2 34a_100000210012_100000187162 [0,2,0,0,0,0|2,0,0]=4 6862 B17R2.3426 CN(Cc1ccccc1F)c2ccccc2 2230a_100000210012_100000211605 [0,2,0,0,0,0|2,0,0]=4 6863 B17R2.3426 CN(Cc1ccccc1F)c2ccccc2 2230a_100000224004_200000210301 [0,2,0,0,0,0|2,0,0]=4 6864 B17R2.3426 CN(Cc1ccccc1F)c2ccccc2 269982a_100000210012_100000211605 [0,2,0,0,0,0|2,0,0]=4 6865 B17R2.3426 CN(Cc1ccccc1F)c2ccccc2 269982a_100000224004_200000210301 [0,2,0,0,0,0|2,0,0]=4 6866 B17R2.3426 CN(Cc1ccccc1F)c2ccccc2 34a_100000210012_100000211605 [0,2,0,0,0,0|2,0,0]=4 6867 B17R2.3426 CN(Cc1ccccc1F)c2ccccc2 34a_100000224004_200000210301 [0,2,0,0,0,0|2,0,0]=4 6868 B17R2.3426 CN(Cc1ccccc1I)c2ccccc2 2230a_100000210012_100011215278 [0,2,0,0,0,0|2,0,0]=4 6869 B17R2.3426 CN(Cc1ccccc1I)c2ccccc2 269982a_100000210012_100011215278 [0,2,0,0,0,0|2,0,0]=4 6870 B17R2.3426 CN(Cc1ccccc1I)c2ccccc2 34a_100000210012_100011215278 [0,2,0,0,0,0|2,0,0]=4 6871 B17R2.3426 Cc1ccccc1CC(=O)c2ccccc2 1458a_100000185807_100000211839 [0,2,0,0,0,0|2,0,0]=4 6872 B17R2.3426 Cc1ccccc1CC(C)c2ccccc2 271570a_100000062452_100000210755 [0,2,0,0,0,0|2,0,0]=4 6873 B17R2.3426 Cc1ccccc1CN(C)c2ccccc2 2230a_100000210012_100000211839 [0,2,0,0,0,0|2,0,0]=4 6874 B17R2.3426 Cc1ccccc1CN(C)c2ccccc2 269982a_100000210012_100000211839 [0,2,0,0,0,0|2,0,0]=4 6875 B17R2.3426 Cc1ccccc1CN(C)c2ccccc2 34a_100000210012_100000211839 [0,2,0,0,0,0|2,0,0]=4 6876 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 11a_100015192222_100000185807 [0,2,0,0,0,0|2,0,0]=4 6877 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 1626a_100015192222_100000185807 [0,2,0,0,0,0|2,0,0]=4 6878 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 22a_100015192222_100000185807 [0,2,0,0,0,0|2,0,0]=4 6879 B17R2.3426 Cc1ccccc1NC(=O)c2ccccc2 527a_100015192222_100000185807 [0,2,0,0,0,0|2,0,0]=4 6880 B17R2.3426 Cc1ccccc1NC(C)c2ccccc2 34a_100015192222_100000211855 [0,2,0,0,0,0|2,0,0]=4 6881 B17R2.3426 Cc1ccccc1OC(C)c2ccccc2 34a_100000210338_100000211855 [0,2,0,0,0,0|1,1,0]=4 6882 B17R2.3426 Cc1ccccc1OC(C)c2ccccc2 7a_100000210338_100000230085 [0,2,0,0,0,0|1,1,0]=4 6883 B17R2.3426 Cc1ccccc1SC(C)c2ccccc2 62a_100000210755_100000230085 [0,2,0,0,0,0|1,0,0]=3 6884 B17R2.3426 Cc1ccccc1SC(C)c2ccccc2 62a_100000230085_100000210755 [0,2,0,0,0,0|1,0,0]=3 6885 B17R2.3426 Cc1cccnc1SC(C)c2ccccc2 62a_100000230085_100000751373 [0,2,0,0,0,0|2,0,0]=4 6886 B17R2.3426 Cc1cccnc1SC(C)c2ccccc2 62a_100000751373_100000230085 [0,2,0,0,0,0|2,0,0]=4 6887 B17R2.3426 Cc1ccncc1SC(C)c2ccccc2 62a_100000230085_100000761580 [0,2,0,0,0,0|2,0,0]=4 6888 B17R2.3426 Cc1ccncc1SC(C)c2ccccc2 62a_100000761580_100000230085 [0,2,0,0,0,0|2,0,0]=4 6889 B17R2.3426 Cc1cnccc1SC(C)c2ccccc2 62a_100000230085_100000765111 [0,2,0,0,0,0|2,0,0]=4 6890 B17R2.3426 Cc1cnccc1SC(C)c2ccccc2 62a_100000765111_100000230085 [0,2,0,0,0,0|2,0,0]=4 6891 B17R2.3426 Cc1ncccc1SC(C)c2ccccc2 62a_100000230085_100000751574 [0,2,0,0,0,0|2,0,0]=4 6892 B17R2.3426 Cc1ncccc1SC(C)c2ccccc2 62a_100000751574_100000230085 [0,2,0,0,0,0|2,0,0]=4 6893 B17R2.3426 O=C(Cc1ccccc1Br)c2ccccc2 1458a_100000185807_100000184730 [0,2,0,0,0,0|2,0,0]=4 6894 B17R2.3426 O=C(Cc1ccccc1Cl)c2ccccc2 1458a_100000185807_100000187162 [0,2,0,0,0,0|2,0,0]=4 6895 B17R2.3426 O=C(Cc1ccccc1F)c2ccccc2 1458a_100000185807_100000187165 [0,2,0,0,0,0|2,0,0]=4 6896 B17R2.3426 O=C(Cc1ccccc1I)c2ccccc2 1458a_100000185807_100011216222 [0,2,0,0,0,0|2,0,0]=4 6897 B17R2.3426 O=C(Nc1ccccc1Br)c2ccccc2 11a_100000210017_100000185807 [0,2,0,0,0,0|2,0,0]=4 6898 B17R2.3426 O=C(Nc1ccccc1Br)c2ccccc2 1626a_100000210017_100000185807 [0,2,0,0,0,0|2,0,0]=4 6899 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccccc2 11a_100000185783_100000185807 [0,2,0,0,0,0|2,0,0]=4 6900 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccccc2 1626a_100000185783_100000185807 [0,2,0,0,0,0|2,0,0]=4 6901 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccccc2 22a_100000185783_100000185807 [0,2,0,0,0,0|2,0,0]=4 6902 B17R2.3426 O=C(Nc1ccccc1Cl)c2ccccc2 527a_100000185783_100000185807 [0,2,0,0,0,0|2,0,0]=4 6903 B17R2.3426 O=C(Nc1ccccc1F)c2ccccc2 11a_100000210422_100000185807 [0,2,0,0,0,0|2,0,0]=4 6904 B17R2.3426 O=C(Nc1ccccc1F)c2ccccc2 1626a_100000210422_100000185807 [0,2,0,0,0,0|2,0,0]=4 6905 B17R2.3426 O=C(Nc1ccccc1F)c2ccccc2 22a_100000210422_100000185807 [0,2,0,0,0,0|2,0,0]=4 6906 B17R2.3426 O=C(Nc1ccccc1F)c2ccccc2 527a_100000210422_100000185807 [0,2,0,0,0,0|2,0,0]=4 6907 B17R2.3426 O=C(Nc1ccccc1I)c2ccccc2 11a_100000210053_100000185807 [0,2,0,0,0,0|2,0,0]=4 6908 B17R2.3426 O=C(Nc1ccccc1I)c2ccccc2 1626a_100000210053_100000185807 [0,2,0,0,0,0|2,0,0]=4 6909 B17R2.3426 O=C(Nc1ccccc1O)c2ccccc2 22a_100000185747_100000185807 [0,2,0,0,0,0|2,0,0]=4 6910 B17R2.3426 O=C(Nc1ccccc1O)c2ccccc2 527a_100000185747_100000185807 [0,2,0,0,0,0|2,0,0]=4 6911 B17R2.3426 [13CH3]N(Cc1ccccc1F)c2ccccc2 2230a_100000224004_200025704644 [0,2,0,0,0,0|2,0,0]=4 6912 B17R2.3426 [13CH3]N(Cc1ccccc1F)c2ccccc2 269982a_100000224004_200025704644 [0,2,0,0,0,0|2,0,0]=4 6913 B17R2.3426 [13CH3]N(Cc1ccccc1F)c2ccccc2 34a_100000224004_200025704644 [0,2,0,0,0,0|2,0,0]=4 6914 B17R2.3933 Brc1cccc(c1C#Cc2ccccc2)Br 271570a_100000069678_100009994525 [0,2,0,0,0,0|2,0,0]=4 6915 B17R2.3933 Brc1cccc(c1C=Cc2ccccc2)Br 271570a_100102527694_100009994525 [0,2,0,0,0,0|2,0,0]=4 6916 B17R2.3933 Brc1cccc(c1CNc2ccccc2)Br 207a_100000106764_100010233043 [0,2,0,0,0,0|2,0,0]=4 6917 B17R2.3933 Brc1cccc(c1CNc2ccccc2)Br 270302a_100000106764_100010233043 [0,2,0,0,0,0|2,0,0]=4 6918 B17R2.3933 Brc1cccc(c1CNc2ccccc2)I 34a_100000106764_100010146611 [0,2,0,0,0,0|2,0,0]=4 6919 B17R2.3933 Brc1cccc(c1COc2ccccc2)I 34a_100000210340_100010146611 [0,2,0,0,0,0|1,1,0]=4 6920 B17R2.3933 Brc1cccc(c1COc2ccccc2)I 7a_100000210340_100010146611 [0,2,0,0,0,0|1,1,0]=4 6921 B17R2.3933 Brc1cccc(c1CSc2ccccc2)I 62a_100000719477_100010146611 [0,2,0,0,0,0|1,0,0]=3 6922 B17R2.3933 Brc1cccc(c1CSc2ccccc2)I 62a_100010146611_100000041952 [0,2,0,0,0,0|1,0,0]=3 6923 B17R2.3933 Brc1cccc(c1CSc2ccccn2)I 62a_100010146611_100011216584 [0,2,0,0,0,0|2,0,0]=4 6924 B17R2.3933 Brc1cccc(c1CSc2ccccn2)I 62a_100011216584_100010146611 [0,2,0,0,0,0|2,0,0]=4 6925 B17R2.3933 Brc1cccc(c1CSc2cccnc2)I 62a_100000210063_100010146611 [0,2,0,0,0,0|2,0,0]=4 6926 B17R2.3933 Brc1cccc(c1CSc2cccnc2)I 62a_100010146611_100000210063 [0,2,0,0,0,0|2,0,0]=4 6927 B17R2.3933 Brc1cccc(c1CSc2ccncc2)I 62a_100000728582_100010146611 [0,2,0,0,0,0|2,0,0]=4 6928 B17R2.3933 Brc1cccc(c1CSc2ccncc2)I 62a_100010146611_100000728582 [0,2,0,0,0,0|2,0,0]=4 6929 B17R2.3933 Brc1cccc(c1NCc2ccccc2)Br 34a_100000690995_100015291786 [0,2,0,0,0,0|2,0,0]=4 6930 B17R2.3933 Brc1cccc(c1OCc2ccccc2)Br 34a_100000736428_100015291786 [0,2,0,0,0,0|1,1,0]=4 6931 B17R2.3933 Brc1cccc(c1OCc2ccccc2)Br 7a_100000736428_100000211182 [0,2,0,0,0,0|1,1,0]=4 6932 B17R2.3933 Brc1cccc(c1OCc2ccccc2)I 34a_100010084509_100015291786 [0,2,0,0,0,0|1,1,0]=4 6933 B17R2.3933 Brc1cccc(c1OCc2ccccc2)I 7a_100010084509_100000211182 [0,2,0,0,0,0|1,1,0]=4 6934 B17R2.3933 Brc1cccc(c1SCc2ccccc2)Br 62a_100000211182_100009994525 [0,2,0,0,0,0|1,0,0]=3 6935 B17R2.3933 Brc1cccc(c1SCc2ccccc2)Br 62a_100009994525_100015291786 [0,2,0,0,0,0|1,0,0]=3 6936 B17R2.3933 Brc1cccc(c1SCc2ccccn2)Br 62a_100000721315_100009994525 [0,2,0,0,0,0|2,0,0]=4 6937 B17R2.3933 Brc1cccc(c1SCc2ccccn2)Br 62a_100009994525_100000721315 [0,2,0,0,0,0|2,0,0]=4 6938 B17R2.3933 Brc1cccc(c1SCc2cccnc2)Br 62a_100000741622_100009994525 [0,2,0,0,0,0|2,0,0]=4 6939 B17R2.3933 Brc1cccc(c1SCc2cccnc2)Br 62a_100009994525_100000741622 [0,2,0,0,0,0|2,0,0]=4 6940 B17R2.3933 Brc1cccc(c1SCc2ccncc2)Br 62a_100009994525_100015193705 [0,2,0,0,0,0|2,0,0]=4 6941 B17R2.3933 Brc1cccc(c1SCc2ccncc2)Br 62a_100015193705_100009994525 [0,2,0,0,0,0|2,0,0]=4 6942 B17R2.3933 Brc1cncc(c1SCc2ccccc2)Br 62a_100000211182_100010172828 [0,2,0,0,0,0|2,0,0]=4 6943 B17R2.3933 Brc1cncc(c1SCc2ccccc2)Br 62a_100010172828_100015291786 [0,2,0,0,0,0|2,0,0]=4 6944 B17R2.3933 Cc1ccc[n+](c1SCc2ccccc2)[O-] 62a_100000211182_100116209805 [0,2,0,0,0,0|2,0,0]=4 6945 B17R2.3933 Cc1cccc(c1C#Cc2ccccc2)C 271570a_100000069678_100000033847 [0,2,0,0,0,0|2,0,0]=4 6946 B17R2.3933 Cc1cccc(c1C#Cc2ccccc2)Cl 271570a_100000069678_100000043165 [0,2,0,0,0,0|2,0,0]=4 6947 B17R2.3933 Cc1cccc(c1C#Cc2ccccc2)F 271570a_100000069678_100012349962 [0,2,0,0,0,0|2,0,0]=4 6948 B17R2.3933 Cc1cccc(c1C#Cc2ccccc2)N 271570a_100000069678_100000684715 [0,2,0,0,0,0|2,0,0]=4 6949 B17R2.3933 Cc1cccc(c1C#Cc2ccccc2)O 271570a_100000069678_100000686692 [0,2,0,0,0,0|2,0,0]=4 6950 B17R2.3933 Cc1cccc(c1C=Cc2ccccc2)C 271570a_100102527694_100000033847 [0,2,0,0,0,0|2,0,0]=4 6951 B17R2.3933 Cc1cccc(c1C=Cc2ccccc2)Cl 271570a_100102527694_100000043165 [0,2,0,0,0,0|2,0,0]=4 6952 B17R2.3933 Cc1cccc(c1C=Cc2ccccc2)F 271570a_100102527694_100012349962 [0,2,0,0,0,0|2,0,0]=4 6953 B17R2.3933 Cc1cccc(c1C=Cc2ccccc2)N 271570a_100102527694_100000684715 [0,2,0,0,0,0|2,0,0]=4 6954 B17R2.3933 Cc1cccc(c1C=Cc2ccccc2)O 271570a_100102527694_100000686692 [0,2,0,0,0,0|2,0,0]=4 6955 B17R2.3933 Cc1cccc(c1CNc2ccccc2)Br 207a_100000106764_100009881667 [0,2,0,0,0,0|2,0,0]=4 6956 B17R2.3933 Cc1cccc(c1CNc2ccccc2)Br 270302a_100000106764_100009881667 [0,2,0,0,0,0|2,0,0]=4 6957 B17R2.3933 Cc1cccc(c1CNc2ccccc2)Br 34a_100000106764_100010146847 [0,2,0,0,0,0|2,0,0]=4 6958 B17R2.3933 Cc1cccc(c1CNc2ccccc2)C 207a_100000106764_100000758299 [0,2,0,0,0,0|2,0,0]=4 6959 B17R2.3933 Cc1cccc(c1CNc2ccccc2)C 270302a_100000106764_100000758299 [0,2,0,0,0,0|2,0,0]=4 6960 B17R2.3933 Cc1cccc(c1CNc2ccccc2)C 34a_100000106764_100000758300 [0,2,0,0,0,0|2,0,0]=4 6961 B17R2.3933 Cc1cccc(c1CNc2ccccc2)Cl 207a_100000106764_100000041122 [0,2,0,0,0,0|2,0,0]=4 6962 B17R2.3933 Cc1cccc(c1CNc2ccccc2)Cl 270302a_100000106764_100000041122 [0,2,0,0,0,0|2,0,0]=4 6963 B17R2.3933 Cc1cccc(c1CNc2ccccc2)F 207a_100000106764_100000069827 [0,2,0,0,0,0|2,0,0]=4 6964 B17R2.3933 Cc1cccc(c1CNc2ccccc2)F 270302a_100000106764_100000069827 [0,2,0,0,0,0|2,0,0]=4 6965 B17R2.3933 Cc1cccc(c1CNc2ccccc2)F 34a_100000106764_100009814554 [0,2,0,0,0,0|2,0,0]=4 6966 B17R2.3933 Cc1cccc(c1CNc2ccccc2)I 34a_100000106764_100010150146 [0,2,0,0,0,0|2,0,0]=4 6967 B17R2.3933 Cc1cccc(c1COc2ccccc2)Br 34a_100000210340_100010146847 [0,2,0,0,0,0|1,1,0]=4 6968 B17R2.3933 Cc1cccc(c1COc2ccccc2)Br 7a_100000210340_100010146847 [0,2,0,0,0,0|1,1,0]=4 6969 B17R2.3933 Cc1cccc(c1COc2ccccc2)C 34a_100000210340_100000758300 [0,2,0,0,0,0|1,1,0]=4 6970 B17R2.3933 Cc1cccc(c1COc2ccccc2)C 7a_100000210340_100000758300 [0,2,0,0,0,0|1,1,0]=4 6971 B17R2.3933 Cc1cccc(c1COc2ccccc2)F 34a_100000210340_100009814554 [0,2,0,0,0,0|1,1,0]=4 6972 B17R2.3933 Cc1cccc(c1COc2ccccc2)F 7a_100000210340_100009814554 [0,2,0,0,0,0|1,1,0]=4 6973 B17R2.3933 Cc1cccc(c1COc2ccccc2)I 34a_100000210340_100010150146 [0,2,0,0,0,0|1,1,0]=4 6974 B17R2.3933 Cc1cccc(c1COc2ccccc2)I 7a_100000210340_100010150146 [0,2,0,0,0,0|1,1,0]=4 6975 B17R2.3933 Cc1cccc(c1CSc2ccccc2)Br 62a_100000719477_100010146847 [0,2,0,0,0,0|1,0,0]=3 6976 B17R2.3933 Cc1cccc(c1CSc2ccccc2)Br 62a_100010146847_100000041952 [0,2,0,0,0,0|1,0,0]=3 6977 B17R2.3933 Cc1cccc(c1CSc2ccccc2)C 62a_100000719477_100000758300 [0,2,0,0,0,0|1,0,0]=3 6978 B17R2.3933 Cc1cccc(c1CSc2ccccc2)C 62a_100000758300_100000041952 [0,2,0,0,0,0|1,0,0]=3 6979 B17R2.3933 Cc1cccc(c1CSc2ccccc2)F 62a_100000719477_100009814554 [0,2,0,0,0,0|1,0,0]=3 6980 B17R2.3933 Cc1cccc(c1CSc2ccccc2)F 62a_100009814554_100000041952 [0,2,0,0,0,0|1,0,0]=3 6981 B17R2.3933 Cc1cccc(c1CSc2ccccc2)I 62a_100000719477_100010150146 [0,2,0,0,0,0|1,0,0]=3 6982 B17R2.3933 Cc1cccc(c1CSc2ccccc2)I 62a_100010150146_100000041952 [0,2,0,0,0,0|1,0,0]=3 6983 B17R2.3933 Cc1cccc(c1CSc2ccccn2)Br 62a_100010146847_100011216584 [0,2,0,0,0,0|2,0,0]=4 6984 B17R2.3933 Cc1cccc(c1CSc2ccccn2)Br 62a_100011216584_100010146847 [0,2,0,0,0,0|2,0,0]=4 6985 B17R2.3933 Cc1cccc(c1CSc2ccccn2)C 62a_100000758300_100011216584 [0,2,0,0,0,0|2,0,0]=4 6986 B17R2.3933 Cc1cccc(c1CSc2ccccn2)C 62a_100011216584_100000758300 [0,2,0,0,0,0|2,0,0]=4 6987 B17R2.3933 Cc1cccc(c1CSc2ccccn2)F 62a_100009814554_100011216584 [0,2,0,0,0,0|2,0,0]=4 6988 B17R2.3933 Cc1cccc(c1CSc2ccccn2)F 62a_100011216584_100009814554 [0,2,0,0,0,0|2,0,0]=4 6989 B17R2.3933 Cc1cccc(c1CSc2ccccn2)I 62a_100010150146_100011216584 [0,2,0,0,0,0|2,0,0]=4 6990 B17R2.3933 Cc1cccc(c1CSc2ccccn2)I 62a_100011216584_100010150146 [0,2,0,0,0,0|2,0,0]=4 6991 B17R2.3933 Cc1cccc(c1CSc2cccnc2)Br 62a_100000210063_100010146847 [0,2,0,0,0,0|2,0,0]=4 6992 B17R2.3933 Cc1cccc(c1CSc2cccnc2)Br 62a_100010146847_100000210063 [0,2,0,0,0,0|2,0,0]=4 6993 B17R2.3933 Cc1cccc(c1CSc2cccnc2)C 62a_100000210063_100000758300 [0,2,0,0,0,0|2,0,0]=4 6994 B17R2.3933 Cc1cccc(c1CSc2cccnc2)C 62a_100000758300_100000210063 [0,2,0,0,0,0|2,0,0]=4 6995 B17R2.3933 Cc1cccc(c1CSc2cccnc2)F 62a_100000210063_100009814554 [0,2,0,0,0,0|2,0,0]=4 6996 B17R2.3933 Cc1cccc(c1CSc2cccnc2)F 62a_100009814554_100000210063 [0,2,0,0,0,0|2,0,0]=4 6997 B17R2.3933 Cc1cccc(c1CSc2cccnc2)I 62a_100000210063_100010150146 [0,2,0,0,0,0|2,0,0]=4 6998 B17R2.3933 Cc1cccc(c1CSc2cccnc2)I 62a_100010150146_100000210063 [0,2,0,0,0,0|2,0,0]=4 6999 B17R2.3933 Cc1cccc(c1CSc2ccncc2)Br 62a_100000728582_100010146847 [0,2,0,0,0,0|2,0,0]=4 7000 B17R2.3933 Cc1cccc(c1CSc2ccncc2)Br 62a_100010146847_100000728582 [0,2,0,0,0,0|2,0,0]=4 7001 B17R2.3933 Cc1cccc(c1CSc2ccncc2)C 62a_100000728582_100000758300 [0,2,0,0,0,0|2,0,0]=4 7002 B17R2.3933 Cc1cccc(c1CSc2ccncc2)C 62a_100000758300_100000728582 [0,2,0,0,0,0|2,0,0]=4 7003 B17R2.3933 Cc1cccc(c1CSc2ccncc2)F 62a_100000728582_100009814554 [0,2,0,0,0,0|2,0,0]=4 7004 B17R2.3933 Cc1cccc(c1CSc2ccncc2)F 62a_100009814554_100000728582 [0,2,0,0,0,0|2,0,0]=4 7005 B17R2.3933 Cc1cccc(c1CSc2ccncc2)I 62a_100000728582_100010150146 [0,2,0,0,0,0|2,0,0]=4 7006 B17R2.3933 Cc1cccc(c1CSc2ccncc2)I 62a_100010150146_100000728582 [0,2,0,0,0,0|2,0,0]=4 7007 B17R2.3933 Cc1cccc(c1NCc2ccccc2)Br 34a_100011834072_100015291786 [0,2,0,0,0,0|2,0,0]=4 7008 B17R2.3933 Cc1cccc(c1NCc2ccccc2)C 207a_100000185769_100015611070 [0,2,0,0,0,0|2,0,0]=4 7009 B17R2.3933 Cc1cccc(c1NCc2ccccc2)C 34a_100000185769_100015291786 [0,2,0,0,0,0|2,0,0]=4 7010 B17R2.3933 Cc1cccc(c1NCc2ccccc2)Cl 34a_100000756524_100015291786 [0,2,0,0,0,0|2,0,0]=4 7011 B17R2.3933 Cc1cccc(c1NCc2ccccc2)F 207a_100000766463_100015611070 [0,2,0,0,0,0|2,0,0]=4 7012 B17R2.3933 Cc1cccc(c1NCc2ccccc2)F 34a_100000766463_100015291786 [0,2,0,0,0,0|2,0,0]=4 7013 B17R2.3933 Cc1cccc(c1NCc2ccccc2)O 34a_100000743429_100015291786 [0,2,0,0,0,0|2,0,0]=4 7014 B17R2.3933 Cc1cccc(c1OCc2ccccc2)Br 34a_100009817157_100015291786 [0,2,0,0,0,0|1,1,0]=4 7015 B17R2.3933 Cc1cccc(c1OCc2ccccc2)Br 7a_100009817157_100000211182 [0,2,0,0,0,0|1,1,0]=4 7016 B17R2.3933 Cc1cccc(c1OCc2ccccc2)C 34a_100000210341_100015291786 [0,2,0,0,0,0|1,1,0]=4 7017 B17R2.3933 Cc1cccc(c1OCc2ccccc2)C 7a_100000210341_100000211182 [0,2,0,0,0,0|1,1,0]=4 7018 B17R2.3933 Cc1cccc(c1OCc2ccccc2)Cl 34a_100000033731_100015291786 [0,2,0,0,0,0|1,1,0]=4 7019 B17R2.3933 Cc1cccc(c1OCc2ccccc2)Cl 7a_100000033731_100000211182 [0,2,0,0,0,0|1,1,0]=4 7020 B17R2.3933 Cc1cccc(c1OCc2ccccc2)F 34a_100011659162_100015291786 [0,2,0,0,0,0|1,1,0]=4 7021 B17R2.3933 Cc1cccc(c1OCc2ccccc2)F 7a_100011659162_100000211182 [0,2,0,0,0,0|1,1,0]=4 7022 B17R2.3933 Cc1cccc(c1OCc2ccccc2)N 34a_100000756359_100015291786 [0,2,0,0,0,0|1,1,0]=4 7023 B17R2.3933 Cc1cccc(c1OCc2ccccc2)N 7a_100000756359_100000211182 [0,2,0,0,0,0|1,1,0]=4 7024 B17R2.3933 Cc1cccc(c1SCc2ccccc2)Br 62a_100000211182_100010141302 [0,2,0,0,0,0|1,0,0]=3 7025 B17R2.3933 Cc1cccc(c1SCc2ccccc2)Br 62a_100010141302_100015291786 [0,2,0,0,0,0|1,0,0]=3 7026 B17R2.3933 Cc1cccc(c1SCc2ccccc2)C 62a_100000033847_100015291786 [0,2,0,0,0,0|1,0,0]=3 7027 B17R2.3933 Cc1cccc(c1SCc2ccccc2)C 62a_100000211182_100000033847 [0,2,0,0,0,0|1,0,0]=3 7028 B17R2.3933 Cc1cccc(c1SCc2ccccc2)Cl 62a_100000043165_100015291786 [0,2,0,0,0,0|1,0,0]=3 7029 B17R2.3933 Cc1cccc(c1SCc2ccccc2)Cl 62a_100000211182_100000043165 [0,2,0,0,0,0|1,0,0]=3 7030 B17R2.3933 Cc1cccc(c1SCc2ccccc2)F 62a_100000211182_100011218421 [0,2,0,0,0,0|1,0,0]=3 7031 B17R2.3933 Cc1cccc(c1SCc2ccccc2)F 62a_100011218421_100015291786 [0,2,0,0,0,0|1,0,0]=3 7032 B17R2.3933 Cc1cccc(c1SCc2ccccc2)N 62a_100000211182_100000684715 [0,2,0,0,0,0|1,0,0]=3 7033 B17R2.3933 Cc1cccc(c1SCc2ccccc2)N 62a_100000684715_100015291786 [0,2,0,0,0,0|1,0,0]=3 7034 B17R2.3933 Cc1cccc(c1SCc2ccccc2)O 62a_100000211182_100000686692 [0,2,0,0,0,0|1,0,0]=3 7035 B17R2.3933 Cc1cccc(c1SCc2ccccc2)O 62a_100000686692_100015291786 [0,2,0,0,0,0|1,0,0]=3 7036 B17R2.3933 Cc1cccc(c1SCc2ccccn2)Br 62a_100000721315_100010141302 [0,2,0,0,0,0|2,0,0]=4 7037 B17R2.3933 Cc1cccc(c1SCc2ccccn2)Br 62a_100010141302_100000721315 [0,2,0,0,0,0|2,0,0]=4 7038 B17R2.3933 Cc1cccc(c1SCc2ccccn2)C 62a_100000033847_100000721315 [0,2,0,0,0,0|2,0,0]=4 7039 B17R2.3933 Cc1cccc(c1SCc2ccccn2)C 62a_100000721315_100000033847 [0,2,0,0,0,0|2,0,0]=4 7040 B17R2.3933 Cc1cccc(c1SCc2ccccn2)Cl 62a_100000043165_100000721315 [0,2,0,0,0,0|2,0,0]=4 7041 B17R2.3933 Cc1cccc(c1SCc2ccccn2)Cl 62a_100000721315_100000043165 [0,2,0,0,0,0|2,0,0]=4 7042 B17R2.3933 Cc1cccc(c1SCc2ccccn2)F 62a_100000721315_100011218421 [0,2,0,0,0,0|2,0,0]=4 7043 B17R2.3933 Cc1cccc(c1SCc2ccccn2)F 62a_100011218421_100000721315 [0,2,0,0,0,0|2,0,0]=4 7044 B17R2.3933 Cc1cccc(c1SCc2ccccn2)N 62a_100000684715_100000721315 [0,2,0,0,0,0|2,0,0]=4 7045 B17R2.3933 Cc1cccc(c1SCc2ccccn2)N 62a_100000721315_100000684715 [0,2,0,0,0,0|2,0,0]=4 7046 B17R2.3933 Cc1cccc(c1SCc2ccccn2)O 62a_100000686692_100000721315 [0,2,0,0,0,0|2,0,0]=4 7047 B17R2.3933 Cc1cccc(c1SCc2ccccn2)O 62a_100000721315_100000686692 [0,2,0,0,0,0|2,0,0]=4 7048 B17R2.3933 Cc1cccc(c1SCc2cccnc2)Br 62a_100000741622_100010141302 [0,2,0,0,0,0|2,0,0]=4 7049 B17R2.3933 Cc1cccc(c1SCc2cccnc2)Br 62a_100010141302_100000741622 [0,2,0,0,0,0|2,0,0]=4 7050 B17R2.3933 Cc1cccc(c1SCc2cccnc2)C 62a_100000033847_100000741622 [0,2,0,0,0,0|2,0,0]=4 7051 B17R2.3933 Cc1cccc(c1SCc2cccnc2)C 62a_100000741622_100000033847 [0,2,0,0,0,0|2,0,0]=4 7052 B17R2.3933 Cc1cccc(c1SCc2cccnc2)Cl 62a_100000043165_100000741622 [0,2,0,0,0,0|2,0,0]=4 7053 B17R2.3933 Cc1cccc(c1SCc2cccnc2)Cl 62a_100000741622_100000043165 [0,2,0,0,0,0|2,0,0]=4 7054 B17R2.3933 Cc1cccc(c1SCc2cccnc2)F 62a_100000741622_100011218421 [0,2,0,0,0,0|2,0,0]=4 7055 B17R2.3933 Cc1cccc(c1SCc2cccnc2)F 62a_100011218421_100000741622 [0,2,0,0,0,0|2,0,0]=4 7056 B17R2.3933 Cc1cccc(c1SCc2cccnc2)N 62a_100000684715_100000741622 [0,2,0,0,0,0|2,0,0]=4 7057 B17R2.3933 Cc1cccc(c1SCc2cccnc2)N 62a_100000741622_100000684715 [0,2,0,0,0,0|2,0,0]=4 7058 B17R2.3933 Cc1cccc(c1SCc2cccnc2)O 62a_100000686692_100000741622 [0,2,0,0,0,0|2,0,0]=4 7059 B17R2.3933 Cc1cccc(c1SCc2cccnc2)O 62a_100000741622_100000686692 [0,2,0,0,0,0|2,0,0]=4 7060 B17R2.3933 Cc1cccc(c1SCc2ccncc2)Br 62a_100010141302_100015193705 [0,2,0,0,0,0|2,0,0]=4 7061 B17R2.3933 Cc1cccc(c1SCc2ccncc2)Br 62a_100015193705_100010141302 [0,2,0,0,0,0|2,0,0]=4 7062 B17R2.3933 Cc1cccc(c1SCc2ccncc2)C 62a_100000033847_100015193705 [0,2,0,0,0,0|2,0,0]=4 7063 B17R2.3933 Cc1cccc(c1SCc2ccncc2)C 62a_100015193705_100000033847 [0,2,0,0,0,0|2,0,0]=4 7064 B17R2.3933 Cc1cccc(c1SCc2ccncc2)Cl 62a_100000043165_100015193705 [0,2,0,0,0,0|2,0,0]=4 7065 B17R2.3933 Cc1cccc(c1SCc2ccncc2)Cl 62a_100015193705_100000043165 [0,2,0,0,0,0|2,0,0]=4 7066 B17R2.3933 Cc1cccc(c1SCc2ccncc2)F 62a_100011218421_100015193705 [0,2,0,0,0,0|2,0,0]=4 7067 B17R2.3933 Cc1cccc(c1SCc2ccncc2)F 62a_100015193705_100011218421 [0,2,0,0,0,0|2,0,0]=4 7068 B17R2.3933 Cc1cccc(c1SCc2ccncc2)N 62a_100000684715_100015193705 [0,2,0,0,0,0|2,0,0]=4 7069 B17R2.3933 Cc1cccc(c1SCc2ccncc2)N 62a_100015193705_100000684715 [0,2,0,0,0,0|2,0,0]=4 7070 B17R2.3933 Cc1cccc(c1SCc2ccncc2)O 62a_100000686692_100015193705 [0,2,0,0,0,0|2,0,0]=4 7071 B17R2.3933 Cc1cccc(c1SCc2ccncc2)O 62a_100015193705_100000686692 [0,2,0,0,0,0|2,0,0]=4 7072 B17R2.3933 Cc1ccnc(c1SCc2ccccc2)C 62a_100000211182_100012000501 [0,2,0,0,0,0|2,0,0]=4 7073 B17R2.3933 Cc1ccnc(c1SCc2ccccc2)C 62a_100012000501_100015291786 [0,2,0,0,0,0|2,0,0]=4 7074 B17R2.3933 Cc1ccnc(c1SCc2ccccc2)Cl 62a_100000211182_100010248874 [0,2,0,0,0,0|2,0,0]=4 7075 B17R2.3933 Cc1ccnc(c1SCc2ccccc2)Cl 62a_100010248874_100015291786 [0,2,0,0,0,0|2,0,0]=4 7076 B17R2.3933 Cc1ccnc(c1SCc2ccccc2)F 62a_100000211182_100009818256 [0,2,0,0,0,0|2,0,0]=4 7077 B17R2.3933 Cc1ccnc(c1SCc2ccccc2)F 62a_100009818256_100015291786 [0,2,0,0,0,0|2,0,0]=4 7078 B17R2.3933 Cc1ccnc(c1SCc2ccccc2)N 62a_100000211182_100011998619 [0,2,0,0,0,0|2,0,0]=4 7079 B17R2.3933 Cc1ccnc(c1SCc2ccccc2)N 62a_100011998619_100015291786 [0,2,0,0,0,0|2,0,0]=4 7080 B17R2.3933 Cc1ccnc(c1SCc2ccccc2)O 62a_100000211182_100012000493 [0,2,0,0,0,0|2,0,0]=4 7081 B17R2.3933 Cc1ccnc(c1SCc2ccccc2)O 62a_100012000493_100015291786 [0,2,0,0,0,0|2,0,0]=4 7082 B17R2.3933 Cc1cncc(c1SCc2ccccc2)C 62a_100000211182_100009817138 [0,2,0,0,0,0|2,0,0]=4 7083 B17R2.3933 Cc1cncc(c1SCc2ccccc2)C 62a_100009817138_100015291786 [0,2,0,0,0,0|2,0,0]=4 7084 B17R2.3933 Cc1nccc(c1SCc2ccccc2)N 62a_100000211182_100010243816 [0,2,0,0,0,0|2,0,0]=4 7085 B17R2.3933 Cc1nccc(c1SCc2ccccc2)N 62a_100010243816_100015291786 [0,2,0,0,0,0|2,0,0]=4 7086 B17R2.3933 Clc1cccc(c1C#Cc2ccccc2)Br 271570a_100000069678_100010214488 [0,2,0,0,0,0|2,0,0]=4 7087 B17R2.3933 Clc1cccc(c1C#Cc2ccccc2)Cl 271570a_100000069678_100000034237 [0,2,0,0,0,0|2,0,0]=4 7088 B17R2.3933 Clc1cccc(c1C=Cc2ccccc2)Br 271570a_100102527694_100010214488 [0,2,0,0,0,0|2,0,0]=4 7089 B17R2.3933 Clc1cccc(c1C=Cc2ccccc2)Cl 271570a_100102527694_100000034237 [0,2,0,0,0,0|2,0,0]=4 7090 B17R2.3933 Clc1cccc(c1CNc2ccccc2)Br 207a_100000106764_100011249081 [0,2,0,0,0,0|2,0,0]=4 7091 B17R2.3933 Clc1cccc(c1CNc2ccccc2)Br 270302a_100000106764_100011249081 [0,2,0,0,0,0|2,0,0]=4 7092 B17R2.3933 Clc1cccc(c1CNc2ccccc2)Br 34a_100000106764_100010138402 [0,2,0,0,0,0|2,0,0]=4 7093 B17R2.3933 Clc1cccc(c1CNc2ccccc2)Cl 207a_100000106764_100000189306 [0,2,0,0,0,0|2,0,0]=4 7094 B17R2.3933 Clc1cccc(c1CNc2ccccc2)Cl 270302a_100000106764_100000189306 [0,2,0,0,0,0|2,0,0]=4 7095 B17R2.3933 Clc1cccc(c1CNc2ccccc2)Cl 34a_100000106764_100000187851 [0,2,0,0,0,0|2,0,0]=4 7096 B17R2.3933 Clc1cccc(c1CNc2ccccc2)I 207a_100000106764_100010147682 [0,2,0,0,0,0|2,0,0]=4 7097 B17R2.3933 Clc1cccc(c1COc2ccccc2)Br 34a_100000210340_100010138402 [0,2,0,0,0,0|1,1,0]=4 7098 B17R2.3933 Clc1cccc(c1COc2ccccc2)Br 7a_100000210340_100010138402 [0,2,0,0,0,0|1,1,0]=4 7099 B17R2.3933 Clc1cccc(c1COc2ccccc2)Cl 34a_100000210340_100000187851 [0,2,0,0,0,0|1,1,0]=4 7100 B17R2.3933 Clc1cccc(c1COc2ccccc2)Cl 7a_100000210340_100000187851 [0,2,0,0,0,0|1,1,0]=4 7101 B17R2.3933 Clc1cccc(c1CSc2ccccc2)Br 62a_100000719477_100010138402 [0,2,0,0,0,0|1,0,0]=3 7102 B17R2.3933 Clc1cccc(c1CSc2ccccc2)Br 62a_100010138402_100000041952 [0,2,0,0,0,0|1,0,0]=3 7103 B17R2.3933 Clc1cccc(c1CSc2ccccc2)Cl 62a_100000187851_100000041952 [0,2,0,0,0,0|1,0,0]=3 7104 B17R2.3933 Clc1cccc(c1CSc2ccccc2)Cl 62a_100000719477_100000187851 [0,2,0,0,0,0|1,0,0]=3 7105 B17R2.3933 Clc1cccc(c1CSc2ccccn2)Br 62a_100010138402_100011216584 [0,2,0,0,0,0|2,0,0]=4 7106 B17R2.3933 Clc1cccc(c1CSc2ccccn2)Br 62a_100011216584_100010138402 [0,2,0,0,0,0|2,0,0]=4 7107 B17R2.3933 Clc1cccc(c1CSc2ccccn2)Cl 62a_100000187851_100011216584 [0,2,0,0,0,0|2,0,0]=4 7108 B17R2.3933 Clc1cccc(c1CSc2ccccn2)Cl 62a_100011216584_100000187851 [0,2,0,0,0,0|2,0,0]=4 7109 B17R2.3933 Clc1cccc(c1CSc2cccnc2)Br 62a_100000210063_100010138402 [0,2,0,0,0,0|2,0,0]=4 7110 B17R2.3933 Clc1cccc(c1CSc2cccnc2)Br 62a_100010138402_100000210063 [0,2,0,0,0,0|2,0,0]=4 7111 B17R2.3933 Clc1cccc(c1CSc2cccnc2)Cl 62a_100000187851_100000210063 [0,2,0,0,0,0|2,0,0]=4 7112 B17R2.3933 Clc1cccc(c1CSc2cccnc2)Cl 62a_100000210063_100000187851 [0,2,0,0,0,0|2,0,0]=4 7113 B17R2.3933 Clc1cccc(c1CSc2ccncc2)Br 62a_100000728582_100010138402 [0,2,0,0,0,0|2,0,0]=4 7114 B17R2.3933 Clc1cccc(c1CSc2ccncc2)Br 62a_100010138402_100000728582 [0,2,0,0,0,0|2,0,0]=4 7115 B17R2.3933 Clc1cccc(c1CSc2ccncc2)Cl 62a_100000187851_100000728582 [0,2,0,0,0,0|2,0,0]=4 7116 B17R2.3933 Clc1cccc(c1CSc2ccncc2)Cl 62a_100000728582_100000187851 [0,2,0,0,0,0|2,0,0]=4 7117 B17R2.3933 Clc1cccc(c1NCc2ccccc2)Br 34a_100102946385_100015291786 [0,2,0,0,0,0|2,0,0]=4 7118 B17R2.3933 Clc1cccc(c1NCc2ccccc2)Cl 34a_100000210028_100015291786 [0,2,0,0,0,0|2,0,0]=4 7119 B17R2.3933 Clc1cccc(c1OCc2ccccc2)Br 34a_100010214474_100015291786 [0,2,0,0,0,0|1,1,0]=4 7120 B17R2.3933 Clc1cccc(c1OCc2ccccc2)Br 7a_100010214474_100000211182 [0,2,0,0,0,0|1,1,0]=4 7121 B17R2.3933 Clc1cccc(c1OCc2ccccc2)Cl 34a_100000211709_100015291786 [0,2,0,0,0,0|1,1,0]=4 7122 B17R2.3933 Clc1cccc(c1OCc2ccccc2)Cl 7a_100000211709_100000211182 [0,2,0,0,0,0|1,1,0]=4 7123 B17R2.3933 Clc1cccc(c1OCc2ccccc2)I 34a_100010202889_100015291786 [0,2,0,0,0,0|1,1,0]=4 7124 B17R2.3933 Clc1cccc(c1OCc2ccccc2)I 7a_100010202889_100000211182 [0,2,0,0,0,0|1,1,0]=4 7125 B17R2.3933 Clc1cccc(c1SCc2ccccc2)Br 62a_100000211182_100010214488 [0,2,0,0,0,0|1,0,0]=3 7126 B17R2.3933 Clc1cccc(c1SCc2ccccc2)Br 62a_100010214488_100015291786 [0,2,0,0,0,0|1,0,0]=3 7127 B17R2.3933 Clc1cccc(c1SCc2ccccc2)Cl 62a_100000034237_100015291786 [0,2,0,0,0,0|1,0,0]=3 7128 B17R2.3933 Clc1cccc(c1SCc2ccccc2)Cl 62a_100000211182_100000034237 [0,2,0,0,0,0|1,0,0]=3 7129 B17R2.3933 Clc1cccc(c1SCc2ccccn2)Br 62a_100000721315_100010214488 [0,2,0,0,0,0|2,0,0]=4 7130 B17R2.3933 Clc1cccc(c1SCc2ccccn2)Br 62a_100010214488_100000721315 [0,2,0,0,0,0|2,0,0]=4 7131 B17R2.3933 Clc1cccc(c1SCc2ccccn2)Cl 62a_100000034237_100000721315 [0,2,0,0,0,0|2,0,0]=4 7132 B17R2.3933 Clc1cccc(c1SCc2ccccn2)Cl 62a_100000721315_100000034237 [0,2,0,0,0,0|2,0,0]=4 7133 B17R2.3933 Clc1cccc(c1SCc2cccnc2)Br 62a_100000741622_100010214488 [0,2,0,0,0,0|2,0,0]=4 7134 B17R2.3933 Clc1cccc(c1SCc2cccnc2)Br 62a_100010214488_100000741622 [0,2,0,0,0,0|2,0,0]=4 7135 B17R2.3933 Clc1cccc(c1SCc2cccnc2)Cl 62a_100000034237_100000741622 [0,2,0,0,0,0|2,0,0]=4 7136 B17R2.3933 Clc1cccc(c1SCc2cccnc2)Cl 62a_100000741622_100000034237 [0,2,0,0,0,0|2,0,0]=4 7137 B17R2.3933 Clc1cccc(c1SCc2ccncc2)Br 62a_100010214488_100015193705 [0,2,0,0,0,0|2,0,0]=4 7138 B17R2.3933 Clc1cccc(c1SCc2ccncc2)Br 62a_100015193705_100010214488 [0,2,0,0,0,0|2,0,0]=4 7139 B17R2.3933 Clc1cccc(c1SCc2ccncc2)Cl 62a_100000034237_100015193705 [0,2,0,0,0,0|2,0,0]=4 7140 B17R2.3933 Clc1cccc(c1SCc2ccncc2)Cl 62a_100015193705_100000034237 [0,2,0,0,0,0|2,0,0]=4 7141 B17R2.3933 Clc1ccnc(c1SCc2ccccc2)Cl 62a_100000050019_100015291786 [0,2,0,0,0,0|2,0,0]=4 7142 B17R2.3933 Clc1ccnc(c1SCc2ccccc2)Cl 62a_100000211182_100000050019 [0,2,0,0,0,0|2,0,0]=4 7143 B17R2.3933 Clc1cncc(c1CSc2ccccc2)Cl 62a_100000719477_200009872113 [0,2,0,0,0,0|2,0,0]=4 7144 B17R2.3933 Clc1cncc(c1CSc2ccccc2)Cl 62a_200009872113_100000041952 [0,2,0,0,0,0|2,0,0]=4 7145 B17R2.3933 Clc1cncc(c1SCc2ccccc2)Cl 62a_100000036193_100015291786 [0,2,0,0,0,0|2,0,0]=4 7146 B17R2.3933 Clc1cncc(c1SCc2ccccc2)Cl 62a_100000211182_100000036193 [0,2,0,0,0,0|2,0,0]=4 7147 B17R2.3933 Clc1nccc(c1SCc2ccccc2)Br 62a_100000211182_100009814607 [0,2,0,0,0,0|2,0,0]=4 7148 B17R2.3933 Clc1nccc(c1SCc2ccccc2)Br 62a_100009814607_100015291786 [0,2,0,0,0,0|2,0,0]=4 7149 B17R2.3933 Fc1cccc(c1C#Cc2ccccc2)Br 271570a_100000069678_100011219512 [0,2,0,0,0,0|2,0,0]=4 7150 B17R2.3933 Fc1cccc(c1C#Cc2ccccc2)Cl 271570a_100000069678_100000050007 [0,2,0,0,0,0|2,0,0]=4 7151 B17R2.3933 Fc1cccc(c1C#Cc2ccccc2)F 271570a_100000069678_100000693133 [0,2,0,0,0,0|2,0,0]=4 7152 B17R2.3933 Fc1cccc(c1C=Cc2ccccc2)Br 271570a_100102527694_100011219512 [0,2,0,0,0,0|2,0,0]=4 7153 B17R2.3933 Fc1cccc(c1C=Cc2ccccc2)Cl 271570a_100102527694_100000050007 [0,2,0,0,0,0|2,0,0]=4 7154 B17R2.3933 Fc1cccc(c1C=Cc2ccccc2)F 271570a_100102527694_100000693133 [0,2,0,0,0,0|2,0,0]=4 7155 B17R2.3933 Fc1cccc(c1CNc2ccccc2)Br 207a_100000106764_100000752695 [0,2,0,0,0,0|2,0,0]=4 7156 B17R2.3933 Fc1cccc(c1CNc2ccccc2)Br 34a_100000106764_100012145669 [0,2,0,0,0,0|2,0,0]=4 7157 B17R2.3933 Fc1cccc(c1CNc2ccccc2)Cl 207a_100000106764_100000210083 [0,2,0,0,0,0|2,0,0]=4 7158 B17R2.3933 Fc1cccc(c1CNc2ccccc2)Cl 270302a_100000106764_100000210083 [0,2,0,0,0,0|2,0,0]=4 7159 B17R2.3933 Fc1cccc(c1CNc2ccccc2)Cl 34a_100000106764_100000187852 [0,2,0,0,0,0|2,0,0]=4 7160 B17R2.3933 Fc1cccc(c1CNc2ccccc2)F 207a_100000106764_100000211061 [0,2,0,0,0,0|2,0,0]=4 7161 B17R2.3933 Fc1cccc(c1CNc2ccccc2)F 270302a_100000106764_100000211061 [0,2,0,0,0,0|2,0,0]=4 7162 B17R2.3933 Fc1cccc(c1CNc2ccccc2)F 34a_100000106764_100000698325 [0,2,0,0,0,0|2,0,0]=4 7163 B17R2.3933 Fc1cccc(c1CNc2ccccc2)I 207a_100000106764_100010178011 [0,2,0,0,0,0|2,0,0]=4 7164 B17R2.3933 Fc1cccc(c1CNc2ccccc2)I 34a_100000106764_100010149602 [0,2,0,0,0,0|2,0,0]=4 7165 B17R2.3933 Fc1cccc(c1COc2ccccc2)Br 34a_100000210340_100012145669 [0,2,0,0,0,0|1,1,0]=4 7166 B17R2.3933 Fc1cccc(c1COc2ccccc2)Br 7a_100000210340_100000696636 [0,2,0,0,0,0|1,1,0]=4 7167 B17R2.3933 Fc1cccc(c1COc2ccccc2)Cl 34a_100000210340_100000187852 [0,2,0,0,0,0|1,1,0]=4 7168 B17R2.3933 Fc1cccc(c1COc2ccccc2)Cl 7a_100000210340_100000187852 [0,2,0,0,0,0|1,1,0]=4 7169 B17R2.3933 Fc1cccc(c1COc2ccccc2)F 34a_100000210340_100000698325 [0,2,0,0,0,0|1,1,0]=4 7170 B17R2.3933 Fc1cccc(c1COc2ccccc2)F 7a_100000210340_100000698325 [0,2,0,0,0,0|1,1,0]=4 7171 B17R2.3933 Fc1cccc(c1COc2ccccc2)I 34a_100000210340_100010149602 [0,2,0,0,0,0|1,1,0]=4 7172 B17R2.3933 Fc1cccc(c1COc2ccccc2)I 7a_100000210340_100010149602 [0,2,0,0,0,0|1,1,0]=4 7173 B17R2.3933 Fc1cccc(c1CSc2ccccc2)Br 62a_100000719477_100012145669 [0,2,0,0,0,0|1,0,0]=3 7174 B17R2.3933 Fc1cccc(c1CSc2ccccc2)Br 62a_100012145669_100000041952 [0,2,0,0,0,0|1,0,0]=3 7175 B17R2.3933 Fc1cccc(c1CSc2ccccc2)Cl 62a_100000187852_100000041952 [0,2,0,0,0,0|1,0,0]=3 7176 B17R2.3933 Fc1cccc(c1CSc2ccccc2)Cl 62a_100000719477_100000187852 [0,2,0,0,0,0|1,0,0]=3 7177 B17R2.3933 Fc1cccc(c1CSc2ccccc2)F 62a_100000709179_100000041952 [0,2,0,0,0,0|1,0,0]=3 7178 B17R2.3933 Fc1cccc(c1CSc2ccccc2)F 62a_100000719477_100000698325 [0,2,0,0,0,0|1,0,0]=3 7179 B17R2.3933 Fc1cccc(c1CSc2ccccc2)I 62a_100000719477_100010149602 [0,2,0,0,0,0|1,0,0]=3 7180 B17R2.3933 Fc1cccc(c1CSc2ccccc2)I 62a_100010149602_100000041952 [0,2,0,0,0,0|1,0,0]=3 7181 B17R2.3933 Fc1cccc(c1CSc2ccccn2)Br 62a_100011216584_100012145669 [0,2,0,0,0,0|2,0,0]=4 7182 B17R2.3933 Fc1cccc(c1CSc2ccccn2)Br 62a_100012145669_100011216584 [0,2,0,0,0,0|2,0,0]=4 7183 B17R2.3933 Fc1cccc(c1CSc2ccccn2)Cl 62a_100000187852_100011216584 [0,2,0,0,0,0|2,0,0]=4 7184 B17R2.3933 Fc1cccc(c1CSc2ccccn2)Cl 62a_100011216584_100000187852 [0,2,0,0,0,0|2,0,0]=4 7185 B17R2.3933 Fc1cccc(c1CSc2ccccn2)F 62a_100000709179_100011216584 [0,2,0,0,0,0|2,0,0]=4 7186 B17R2.3933 Fc1cccc(c1CSc2ccccn2)F 62a_100011216584_100000698325 [0,2,0,0,0,0|2,0,0]=4 7187 B17R2.3933 Fc1cccc(c1CSc2ccccn2)I 62a_100010149602_100011216584 [0,2,0,0,0,0|2,0,0]=4 7188 B17R2.3933 Fc1cccc(c1CSc2ccccn2)I 62a_100011216584_100010149602 [0,2,0,0,0,0|2,0,0]=4 7189 B17R2.3933 Fc1cccc(c1CSc2cccnc2)Br 62a_100000210063_100012145669 [0,2,0,0,0,0|2,0,0]=4 7190 B17R2.3933 Fc1cccc(c1CSc2cccnc2)Br 62a_100012145669_100000210063 [0,2,0,0,0,0|2,0,0]=4 7191 B17R2.3933 Fc1cccc(c1CSc2cccnc2)Cl 62a_100000187852_100000210063 [0,2,0,0,0,0|2,0,0]=4 7192 B17R2.3933 Fc1cccc(c1CSc2cccnc2)Cl 62a_100000210063_100000187852 [0,2,0,0,0,0|2,0,0]=4 7193 B17R2.3933 Fc1cccc(c1CSc2cccnc2)F 62a_100000210063_100000698325 [0,2,0,0,0,0|2,0,0]=4 7194 B17R2.3933 Fc1cccc(c1CSc2cccnc2)F 62a_100000709179_100000210063 [0,2,0,0,0,0|2,0,0]=4 7195 B17R2.3933 Fc1cccc(c1CSc2cccnc2)I 62a_100000210063_100010149602 [0,2,0,0,0,0|2,0,0]=4 7196 B17R2.3933 Fc1cccc(c1CSc2cccnc2)I 62a_100010149602_100000210063 [0,2,0,0,0,0|2,0,0]=4 7197 B17R2.3933 Fc1cccc(c1CSc2ccncc2)Br 62a_100000728582_100012145669 [0,2,0,0,0,0|2,0,0]=4 7198 B17R2.3933 Fc1cccc(c1CSc2ccncc2)Br 62a_100012145669_100000728582 [0,2,0,0,0,0|2,0,0]=4 7199 B17R2.3933 Fc1cccc(c1CSc2ccncc2)Cl 62a_100000187852_100000728582 [0,2,0,0,0,0|2,0,0]=4 7200 B17R2.3933 Fc1cccc(c1CSc2ccncc2)Cl 62a_100000728582_100000187852 [0,2,0,0,0,0|2,0,0]=4 7201 B17R2.3933 Fc1cccc(c1CSc2ccncc2)F 62a_100000709179_100000728582 [0,2,0,0,0,0|2,0,0]=4 7202 B17R2.3933 Fc1cccc(c1CSc2ccncc2)F 62a_100000728582_100000698325 [0,2,0,0,0,0|2,0,0]=4 7203 B17R2.3933 Fc1cccc(c1CSc2ccncc2)I 62a_100000728582_100010149602 [0,2,0,0,0,0|2,0,0]=4 7204 B17R2.3933 Fc1cccc(c1CSc2ccncc2)I 62a_100010149602_100000728582 [0,2,0,0,0,0|2,0,0]=4 7205 B17R2.3933 Fc1cccc(c1NCc2ccccc2)Br 34a_100000684712_100015291786 [0,2,0,0,0,0|2,0,0]=4 7206 B17R2.3933 Fc1cccc(c1NCc2ccccc2)Cl 34a_100000760031_100015291786 [0,2,0,0,0,0|2,0,0]=4 7207 B17R2.3933 Fc1cccc(c1NCc2ccccc2)F 207a_100000210704_100015611070 [0,2,0,0,0,0|2,0,0]=4 7208 B17R2.3933 Fc1cccc(c1NCc2ccccc2)F 2230a_100000210704_100015291786 [0,2,0,0,0,0|2,0,0]=4 7209 B17R2.3933 Fc1cccc(c1NCc2ccccc2)F 34a_100000210704_100015291786 [0,2,0,0,0,0|2,0,0]=4 7210 B17R2.3933 Fc1cccc(c1NCc2ccccc2)I 34a_100000042321_100015291786 [0,2,0,0,0,0|2,0,0]=4 7211 B17R2.3933 Fc1cccc(c1OCc2ccccc2)Br 34a_100009813666_100015291786 [0,2,0,0,0,0|1,1,0]=4 7212 B17R2.3933 Fc1cccc(c1OCc2ccccc2)Br 7a_100009813666_100000211182 [0,2,0,0,0,0|1,1,0]=4 7213 B17R2.3933 Fc1cccc(c1OCc2ccccc2)Cl 34a_100000694953_100015291786 [0,2,0,0,0,0|1,1,0]=4 7214 B17R2.3933 Fc1cccc(c1OCc2ccccc2)Cl 7a_100000694953_100000211182 [0,2,0,0,0,0|1,1,0]=4 7215 B17R2.3933 Fc1cccc(c1OCc2ccccc2)F 34a_100000230165_100015291786 [0,2,0,0,0,0|1,1,0]=4 7216 B17R2.3933 Fc1cccc(c1OCc2ccccc2)F 7a_100000230165_100000211182 [0,2,0,0,0,0|1,1,0]=4 7217 B17R2.3933 Fc1cccc(c1OCc2ccccc2)I 34a_100010186298_100015291786 [0,2,0,0,0,0|1,1,0]=4 7218 B17R2.3933 Fc1cccc(c1OCc2ccccc2)I 7a_100010186298_100000211182 [0,2,0,0,0,0|1,1,0]=4 7219 B17R2.3933 Fc1cccc(c1SCc2ccccc2)Br 62a_100000211182_100011219512 [0,2,0,0,0,0|1,0,0]=3 7220 B17R2.3933 Fc1cccc(c1SCc2ccccc2)Br 62a_100011219512_100015291786 [0,2,0,0,0,0|1,0,0]=3 7221 B17R2.3933 Fc1cccc(c1SCc2ccccc2)Cl 62a_100000050007_100015291786 [0,2,0,0,0,0|1,0,0]=3 7222 B17R2.3933 Fc1cccc(c1SCc2ccccc2)Cl 62a_100000211182_100000050007 [0,2,0,0,0,0|1,0,0]=3 7223 B17R2.3933 Fc1cccc(c1SCc2ccccc2)F 62a_100000211182_100000693133 [0,2,0,0,0,0|1,0,0]=3 7224 B17R2.3933 Fc1cccc(c1SCc2ccccc2)F 62a_100000693133_100015291786 [0,2,0,0,0,0|1,0,0]=3 7225 B17R2.3933 Fc1cccc(c1SCc2ccccn2)Br 62a_100000721315_100011219512 [0,2,0,0,0,0|2,0,0]=4 7226 B17R2.3933 Fc1cccc(c1SCc2ccccn2)Br 62a_100011219512_100000721315 [0,2,0,0,0,0|2,0,0]=4 7227 B17R2.3933 Fc1cccc(c1SCc2ccccn2)Cl 62a_100000050007_100000721315 [0,2,0,0,0,0|2,0,0]=4 7228 B17R2.3933 Fc1cccc(c1SCc2ccccn2)Cl 62a_100000721315_100000050007 [0,2,0,0,0,0|2,0,0]=4 7229 B17R2.3933 Fc1cccc(c1SCc2ccccn2)F 62a_100000693133_100000721315 [0,2,0,0,0,0|2,0,0]=4 7230 B17R2.3933 Fc1cccc(c1SCc2ccccn2)F 62a_100000721315_100000693133 [0,2,0,0,0,0|2,0,0]=4 7231 B17R2.3933 Fc1cccc(c1SCc2cccnc2)Br 62a_100000741622_100011219512 [0,2,0,0,0,0|2,0,0]=4 7232 B17R2.3933 Fc1cccc(c1SCc2cccnc2)Br 62a_100011219512_100000741622 [0,2,0,0,0,0|2,0,0]=4 7233 B17R2.3933 Fc1cccc(c1SCc2cccnc2)Cl 62a_100000050007_100000741622 [0,2,0,0,0,0|2,0,0]=4 7234 B17R2.3933 Fc1cccc(c1SCc2cccnc2)Cl 62a_100000741622_100000050007 [0,2,0,0,0,0|2,0,0]=4 7235 B17R2.3933 Fc1cccc(c1SCc2cccnc2)F 62a_100000693133_100000741622 [0,2,0,0,0,0|2,0,0]=4 7236 B17R2.3933 Fc1cccc(c1SCc2cccnc2)F 62a_100000741622_100000693133 [0,2,0,0,0,0|2,0,0]=4 7237 B17R2.3933 Fc1cccc(c1SCc2ccncc2)Br 62a_100011219512_100015193705 [0,2,0,0,0,0|2,0,0]=4 7238 B17R2.3933 Fc1cccc(c1SCc2ccncc2)Br 62a_100015193705_100011219512 [0,2,0,0,0,0|2,0,0]=4 7239 B17R2.3933 Fc1cccc(c1SCc2ccncc2)Cl 62a_100000050007_100015193705 [0,2,0,0,0,0|2,0,0]=4 7240 B17R2.3933 Fc1cccc(c1SCc2ccncc2)Cl 62a_100015193705_100000050007 [0,2,0,0,0,0|2,0,0]=4 7241 B17R2.3933 Fc1cccc(c1SCc2ccncc2)F 62a_100000693133_100015193705 [0,2,0,0,0,0|2,0,0]=4 7242 B17R2.3933 Fc1cccc(c1SCc2ccncc2)F 62a_100015193705_100000693133 [0,2,0,0,0,0|2,0,0]=4 7243 B17R2.3933 Fc1ccnc(c1SCc2ccccc2)Cl 62a_100000211182_100000716511 [0,2,0,0,0,0|2,0,0]=4 7244 B17R2.3933 Fc1ccnc(c1SCc2ccccc2)Cl 62a_100000716511_100015291786 [0,2,0,0,0,0|2,0,0]=4 7245 B17R2.3933 Fc1ccnc(c1SCc2ccccc2)F 62a_100000211182_100009874084 [0,2,0,0,0,0|2,0,0]=4 7246 B17R2.3933 Fc1ccnc(c1SCc2ccccc2)F 62a_100009874084_100015291786 [0,2,0,0,0,0|2,0,0]=4 7247 B17R2.3933 Fc1cncc(c1SCc2ccccc2)F 62a_100000211182_100000760538 [0,2,0,0,0,0|2,0,0]=4 7248 B17R2.3933 Fc1cncc(c1SCc2ccccc2)F 62a_100000760538_100015291786 [0,2,0,0,0,0|2,0,0]=4 7249 B17R2.3933 Nc1cccc(c1C#Cc2ccccc2)Br 271570a_100000069678_100020590159 [0,2,0,0,0,0|2,0,0]=4 7250 B17R2.3933 Nc1cccc(c1C#Cc2ccccc2)Cl 271570a_100000069678_100000049713 [0,2,0,0,0,0|2,0,0]=4 7251 B17R2.3933 Nc1cccc(c1C#Cc2ccccc2)F 271570a_100000069678_100011934729 [0,2,0,0,0,0|2,0,0]=4 7252 B17R2.3933 Nc1cccc(c1C#Cc2ccccc2)O 271570a_100000069678_100012183704 [0,2,0,0,0,0|2,0,0]=4 7253 B17R2.3933 Nc1cccc(c1C=Cc2ccccc2)Br 271570a_100102527694_100020590159 [0,2,0,0,0,0|2,0,0]=4 7254 B17R2.3933 Nc1cccc(c1C=Cc2ccccc2)Cl 271570a_100102527694_100000049713 [0,2,0,0,0,0|2,0,0]=4 7255 B17R2.3933 Nc1cccc(c1C=Cc2ccccc2)F 271570a_100102527694_100011934729 [0,2,0,0,0,0|2,0,0]=4 7256 B17R2.3933 Nc1cccc(c1C=Cc2ccccc2)O 271570a_100102527694_100012183704 [0,2,0,0,0,0|2,0,0]=4 7257 B17R2.3933 Nc1cccc(c1OCc2ccccc2)Br 34a_100011934915_100015291786 [0,2,0,0,0,0|1,1,0]=4 7258 B17R2.3933 Nc1cccc(c1OCc2ccccc2)Cl 34a_100000754742_100015291786 [0,2,0,0,0,0|1,1,0]=4 7259 B17R2.3933 Nc1cccc(c1OCc2ccccc2)F 34a_100011934987_100015291786 [0,2,0,0,0,0|1,1,0]=4 7260 B17R2.3933 Nc1cccc(c1OCc2ccccc2)I 34a_100010084371_100015291786 [0,2,0,0,0,0|1,1,0]=4 7261 B17R2.3933 Nc1cccc(c1OCc2ccccc2)N 34a_200016994477_100015291786 [0,2,0,0,0,0|1,1,0]=4 7262 B17R2.3933 Nc1cccc(c1SCc2ccccc2)Br 62a_100000211182_100020590159 [0,2,0,0,0,0|1,0,0]=3 7263 B17R2.3933 Nc1cccc(c1SCc2ccccc2)Br 62a_100020590159_100015291786 [0,2,0,0,0,0|1,0,0]=3 7264 B17R2.3933 Nc1cccc(c1SCc2ccccc2)Cl 62a_100000049713_100015291786 [0,2,0,0,0,0|1,0,0]=3 7265 B17R2.3933 Nc1cccc(c1SCc2ccccc2)Cl 62a_100000211182_100000049713 [0,2,0,0,0,0|1,0,0]=3 7266 B17R2.3933 Nc1cccc(c1SCc2ccccc2)F 62a_100000211182_100000690935 [0,2,0,0,0,0|1,0,0]=3 7267 B17R2.3933 Nc1cccc(c1SCc2ccccc2)F 62a_100000690935_100015291786 [0,2,0,0,0,0|1,0,0]=3 7268 B17R2.3933 Nc1cccc(c1SCc2ccccc2)O 62a_100000211182_100012183704 [0,2,0,0,0,0|1,0,0]=3 7269 B17R2.3933 Nc1cccc(c1SCc2ccccc2)O 62a_100012183704_100015291786 [0,2,0,0,0,0|1,0,0]=3 7270 B17R2.3933 Nc1cccc(c1SCc2ccccn2)Br 62a_100000721315_100020590159 [0,2,0,0,0,0|2,0,0]=4 7271 B17R2.3933 Nc1cccc(c1SCc2ccccn2)Br 62a_100020590159_100000721315 [0,2,0,0,0,0|2,0,0]=4 7272 B17R2.3933 Nc1cccc(c1SCc2ccccn2)Cl 62a_100000049713_100000721315 [0,2,0,0,0,0|2,0,0]=4 7273 B17R2.3933 Nc1cccc(c1SCc2ccccn2)Cl 62a_100000721315_100000049713 [0,2,0,0,0,0|2,0,0]=4 7274 B17R2.3933 Nc1cccc(c1SCc2ccccn2)F 62a_100000690935_100000721315 [0,2,0,0,0,0|2,0,0]=4 7275 B17R2.3933 Nc1cccc(c1SCc2ccccn2)F 62a_100000721315_100000690935 [0,2,0,0,0,0|2,0,0]=4 7276 B17R2.3933 Nc1cccc(c1SCc2ccccn2)O 62a_100000721315_100012183704 [0,2,0,0,0,0|2,0,0]=4 7277 B17R2.3933 Nc1cccc(c1SCc2ccccn2)O 62a_100012183704_100000721315 [0,2,0,0,0,0|2,0,0]=4 7278 B17R2.3933 Nc1cccc(c1SCc2cccnc2)Br 62a_100000741622_100020590159 [0,2,0,0,0,0|2,0,0]=4 7279 B17R2.3933 Nc1cccc(c1SCc2cccnc2)Br 62a_100020590159_100000741622 [0,2,0,0,0,0|2,0,0]=4 7280 B17R2.3933 Nc1cccc(c1SCc2cccnc2)Cl 62a_100000049713_100000741622 [0,2,0,0,0,0|2,0,0]=4 7281 B17R2.3933 Nc1cccc(c1SCc2cccnc2)Cl 62a_100000741622_100000049713 [0,2,0,0,0,0|2,0,0]=4 7282 B17R2.3933 Nc1cccc(c1SCc2cccnc2)F 62a_100000690935_100000741622 [0,2,0,0,0,0|2,0,0]=4 7283 B17R2.3933 Nc1cccc(c1SCc2cccnc2)F 62a_100000741622_100000690935 [0,2,0,0,0,0|2,0,0]=4 7284 B17R2.3933 Nc1cccc(c1SCc2cccnc2)O 62a_100000741622_100012183704 [0,2,0,0,0,0|2,0,0]=4 7285 B17R2.3933 Nc1cccc(c1SCc2cccnc2)O 62a_100012183704_100000741622 [0,2,0,0,0,0|2,0,0]=4 7286 B17R2.3933 Nc1cccc(c1SCc2ccncc2)Br 62a_100015193705_100020590159 [0,2,0,0,0,0|2,0,0]=4 7287 B17R2.3933 Nc1cccc(c1SCc2ccncc2)Br 62a_100020590159_100015193705 [0,2,0,0,0,0|2,0,0]=4 7288 B17R2.3933 Nc1cccc(c1SCc2ccncc2)Cl 62a_100000049713_100015193705 [0,2,0,0,0,0|2,0,0]=4 7289 B17R2.3933 Nc1cccc(c1SCc2ccncc2)Cl 62a_100015193705_100000049713 [0,2,0,0,0,0|2,0,0]=4 7290 B17R2.3933 Nc1cccc(c1SCc2ccncc2)F 62a_100000690935_100015193705 [0,2,0,0,0,0|2,0,0]=4 7291 B17R2.3933 Nc1cccc(c1SCc2ccncc2)F 62a_100015193705_100000690935 [0,2,0,0,0,0|2,0,0]=4 7292 B17R2.3933 Nc1cccc(c1SCc2ccncc2)O 62a_100012183704_100015193705 [0,2,0,0,0,0|2,0,0]=4 7293 B17R2.3933 Nc1cccc(c1SCc2ccncc2)O 62a_100015193705_100012183704 [0,2,0,0,0,0|2,0,0]=4 7294 B17R2.3933 Nc1ccnc(c1SCc2ccccc2)Cl 62a_100000211182_100010208016 [0,2,0,0,0,0|2,0,0]=4 7295 B17R2.3933 Nc1ccnc(c1SCc2ccccc2)Cl 62a_100010208016_100015291786 [0,2,0,0,0,0|2,0,0]=4 7296 B17R2.3933 Nc1ccnc(c1SCc2ccccc2)F 62a_100000211182_100010381272 [0,2,0,0,0,0|2,0,0]=4 7297 B17R2.3933 Nc1ccnc(c1SCc2ccccc2)F 62a_100010381272_100015291786 [0,2,0,0,0,0|2,0,0]=4 7298 B17R2.3933 Nc1nccc(c1SCc2ccccc2)Cl 62a_100000211182_100010199028 [0,2,0,0,0,0|2,0,0]=4 7299 B17R2.3933 Nc1nccc(c1SCc2ccccc2)Cl 62a_100010199028_100015291786 [0,2,0,0,0,0|2,0,0]=4 7300 B17R2.3933 Oc1cccc(c1C#Cc2ccccc2)Br 271570a_100000069678_100010187912 [0,2,0,0,0,0|2,0,0]=4 7301 B17R2.3933 Oc1cccc(c1C#Cc2ccccc2)Cl 271570a_100000069678_100000050174 [0,2,0,0,0,0|2,0,0]=4 7302 B17R2.3933 Oc1cccc(c1C#Cc2ccccc2)F 271570a_100000069678_100009820682 [0,2,0,0,0,0|2,0,0]=4 7303 B17R2.3933 Oc1cccc(c1C#Cc2ccccc2)O 271570a_100000069678_100010205330 [0,2,0,0,0,0|2,0,0]=4 7304 B17R2.3933 Oc1cccc(c1C=Cc2ccccc2)Br 271570a_100102527694_100010187912 [0,2,0,0,0,0|2,0,0]=4 7305 B17R2.3933 Oc1cccc(c1C=Cc2ccccc2)Cl 271570a_100102527694_100000050174 [0,2,0,0,0,0|2,0,0]=4 7306 B17R2.3933 Oc1cccc(c1C=Cc2ccccc2)F 271570a_100102527694_100009820682 [0,2,0,0,0,0|2,0,0]=4 7307 B17R2.3933 Oc1cccc(c1C=Cc2ccccc2)O 271570a_100102527694_100010205330 [0,2,0,0,0,0|2,0,0]=4 7308 B17R2.3933 Oc1cccc(c1CNc2ccccc2)Cl 270302a_100000106764_100000741911 [0,2,0,0,0,0|2,0,0]=4 7309 B17R2.3933 Oc1cccc(c1CNc2ccccc2)F 270302a_100000106764_100011217653 [0,2,0,0,0,0|2,0,0]=4 7310 B17R2.3933 Oc1cccc(c1NCc2ccccc2)Br 34a_100011934926_100015291786 [0,2,0,0,0,0|2,0,0]=4 7311 B17R2.3933 Oc1cccc(c1NCc2ccccc2)Cl 34a_100012022510_100015291786 [0,2,0,0,0,0|2,0,0]=4 7312 B17R2.3933 Oc1cccc(c1NCc2ccccc2)F 34a_100020591140_100015291786 [0,2,0,0,0,0|2,0,0]=4 7313 B17R2.3933 Oc1cccc(c1SCc2ccccc2)Br 62a_100000211182_100010187912 [0,2,0,0,0,0|1,0,0]=3 7314 B17R2.3933 Oc1cccc(c1SCc2ccccc2)Br 62a_100010187912_100015291786 [0,2,0,0,0,0|1,0,0]=3 7315 B17R2.3933 Oc1cccc(c1SCc2ccccc2)Cl 62a_100000211182_100000050174 [0,2,0,0,0,0|1,0,0]=3 7316 B17R2.3933 Oc1cccc(c1SCc2ccccc2)F 62a_100000211182_100009820682 [0,2,0,0,0,0|1,0,0]=3 7317 B17R2.3933 Oc1cccc(c1SCc2ccccc2)F 62a_100009820682_100015291786 [0,2,0,0,0,0|1,0,0]=3 7318 B17R2.3933 Oc1cccc(c1SCc2ccccc2)O 62a_100000211182_100010205330 [0,2,0,0,0,0|1,0,0]=3 7319 B17R2.3933 Oc1cccc(c1SCc2ccccn2)Br 62a_100000721315_100010187912 [0,2,0,0,0,0|2,0,0]=4 7320 B17R2.3933 Oc1cccc(c1SCc2ccccn2)Br 62a_100010187912_100000721315 [0,2,0,0,0,0|2,0,0]=4 7321 B17R2.3933 Oc1cccc(c1SCc2ccccn2)Cl 62a_100000721315_100000050174 [0,2,0,0,0,0|2,0,0]=4 7322 B17R2.3933 Oc1cccc(c1SCc2ccccn2)F 62a_100000721315_100009820682 [0,2,0,0,0,0|2,0,0]=4 7323 B17R2.3933 Oc1cccc(c1SCc2ccccn2)F 62a_100009820682_100000721315 [0,2,0,0,0,0|2,0,0]=4 7324 B17R2.3933 Oc1cccc(c1SCc2ccccn2)O 62a_100000721315_100010205330 [0,2,0,0,0,0|2,0,0]=4 7325 B17R2.3933 Oc1cccc(c1SCc2cccnc2)Br 62a_100000741622_100010187912 [0,2,0,0,0,0|2,0,0]=4 7326 B17R2.3933 Oc1cccc(c1SCc2cccnc2)Br 62a_100010187912_100000741622 [0,2,0,0,0,0|2,0,0]=4 7327 B17R2.3933 Oc1cccc(c1SCc2cccnc2)Cl 62a_100000741622_100000050174 [0,2,0,0,0,0|2,0,0]=4 7328 B17R2.3933 Oc1cccc(c1SCc2cccnc2)F 62a_100000741622_100009820682 [0,2,0,0,0,0|2,0,0]=4 7329 B17R2.3933 Oc1cccc(c1SCc2cccnc2)F 62a_100009820682_100000741622 [0,2,0,0,0,0|2,0,0]=4 7330 B17R2.3933 Oc1cccc(c1SCc2cccnc2)O 62a_100000741622_100010205330 [0,2,0,0,0,0|2,0,0]=4 7331 B17R2.3933 Oc1cccc(c1SCc2ccncc2)Br 62a_100010187912_100015193705 [0,2,0,0,0,0|2,0,0]=4 7332 B17R2.3933 Oc1cccc(c1SCc2ccncc2)Br 62a_100015193705_100010187912 [0,2,0,0,0,0|2,0,0]=4 7333 B17R2.3933 Oc1cccc(c1SCc2ccncc2)Cl 62a_100015193705_100000050174 [0,2,0,0,0,0|2,0,0]=4 7334 B17R2.3933 Oc1cccc(c1SCc2ccncc2)F 62a_100009820682_100015193705 [0,2,0,0,0,0|2,0,0]=4 7335 B17R2.3933 Oc1cccc(c1SCc2ccncc2)F 62a_100015193705_100009820682 [0,2,0,0,0,0|2,0,0]=4 7336 B17R2.3933 Oc1cccc(c1SCc2ccncc2)O 62a_100015193705_100010205330 [0,2,0,0,0,0|2,0,0]=4 7337 B17R2.3933 Oc1ccnc(c1SCc2ccccc2)O 62a_100000211182_200009817435 [0,2,0,0,0,0|2,0,0]=4 7338 B17R2.5121 Brc1ccccc1CNc2ccccc2Br 207a_100000210017_100000211189 [0,2,0,0,0,0|2,0,0]=4 7339 B17R2.5121 Brc1ccccc1CNc2ccccc2Br 34a_100000210017_100000184730 [0,2,0,0,0,0|2,0,0]=4 7340 B17R2.5121 Brc1ccccc1CNc2ccccc2I 207a_100000210053_100000211189 [0,2,0,0,0,0|2,0,0]=4 7341 B17R2.5121 Brc1ccccc1CNc2ccccc2I 34a_100000210053_100000184730 [0,2,0,0,0,0|2,0,0]=4 7342 B17R2.5121 Brc1ccccc1COc2ccccc2Br 34a_100000181306_100000184730 [0,2,0,0,0,0|1,1,0]=4 7343 B17R2.5121 Brc1ccccc1COc2ccccc2Br 7a_100000181306_100000184730 [0,2,0,0,0,0|1,1,0]=4 7344 B17R2.5121 Brc1ccccc1COc2ccccc2I 34a_100000739446_100000184730 [0,2,0,0,0,0|1,1,0]=4 7345 B17R2.5121 Brc1ccccc1COc2ccccc2I 7a_100000739446_100000184730 [0,2,0,0,0,0|1,1,0]=4 7346 B17R2.5121 Brc1ccccc1CSc2ccccc2Br 62a_100000184730_100000695589 [0,2,0,0,0,0|1,0,0]=3 7347 B17R2.5121 Brc1ccccc1CSc2ccccc2Br 62a_100000695589_100000184730 [0,2,0,0,0,0|1,0,0]=3 7348 B17R2.5121 Brc1ccccc1CSc2cccnc2Br 62a_100000184730_100010202626 [0,2,0,0,0,0|2,0,0]=4 7349 B17R2.5121 Brc1ccccc1CSc2cccnc2Br 62a_100010202626_100000184730 [0,2,0,0,0,0|2,0,0]=4 7350 B17R2.5121 Brc1ccccc1CSc2ccncc2Br 62a_100000184730_100000726257 [0,2,0,0,0,0|2,0,0]=4 7351 B17R2.5121 Brc1ccccc1CSc2ccncc2Br 62a_100000726257_100000184730 [0,2,0,0,0,0|2,0,0]=4 7352 B17R2.5121 Brc1ccccc1CSc2cnccc2Br 62a_100000184730_100010138639 [0,2,0,0,0,0|2,0,0]=4 7353 B17R2.5121 Brc1ccccc1CSc2cnccc2Br 62a_100010138639_100000184730 [0,2,0,0,0,0|2,0,0]=4 7354 B17R2.5121 Brc1ccccc1CSc2ncccc2Br 62a_100000184730_100000696092 [0,2,0,0,0,0|2,0,0]=4 7355 B17R2.5121 Brc1ccccc1CSc2ncccc2Br 62a_100000696092_100000184730 [0,2,0,0,0,0|2,0,0]=4 7356 B17R2.5121 Brc1ccccc1NCc2ccccc2I 207a_100000210017_100000010305 [0,2,0,0,0,0|2,0,0]=4 7357 B17R2.5121 Brc1ccccc1NCc2ccccc2I 34a_100000210017_100011215278 [0,2,0,0,0,0|2,0,0]=4 7358 B17R2.5121 Brc1ccccc1OCc2ccccc2I 34a_100000181306_100011215278 [0,2,0,0,0,0|1,1,0]=4 7359 B17R2.5121 Brc1ccccc1OCc2ccccc2I 7a_100000181306_100011215278 [0,2,0,0,0,0|1,1,0]=4 7360 B17R2.5121 Brc1ccccc1SCc2ccccc2I 62a_100000695589_100011216222 [0,2,0,0,0,0|1,0,0]=3 7361 B17R2.5121 Brc1ccccc1SCc2ccccc2I 62a_100011216222_100000695589 [0,2,0,0,0,0|1,0,0]=3 7362 B17R2.5121 Brc1ccccc1SCc2cccnc2Br 62a_100000695589_100010140945 [0,2,0,0,0,0|2,0,0]=4 7363 B17R2.5121 Brc1ccccc1SCc2cccnc2Br 62a_100010140945_100000695589 [0,2,0,0,0,0|2,0,0]=4 7364 B17R2.5121 Brc1ccccc1SCc2ncccc2Br 62a_100000695589_100025702911 [0,2,0,0,0,0|2,0,0]=4 7365 B17R2.5121 Brc1ccccc1SCc2ncccc2Br 62a_100025702911_100000695589 [0,2,0,0,0,0|2,0,0]=4 7366 B17R2.5121 Brc1cccnc1SCc2ccccc2I 62a_100000696092_100011216222 [0,2,0,0,0,0|2,0,0]=4 7367 B17R2.5121 Brc1cccnc1SCc2ccccc2I 62a_100011216222_100000696092 [0,2,0,0,0,0|2,0,0]=4 7368 B17R2.5121 Brc1ccncc1SCc2ccccc2I 62a_100010138639_100011216222 [0,2,0,0,0,0|2,0,0]=4 7369 B17R2.5121 Brc1ccncc1SCc2ccccc2I 62a_100011216222_100010138639 [0,2,0,0,0,0|2,0,0]=4 7370 B17R2.5121 Brc1cnccc1SCc2ccccc2I 62a_100000726257_100011216222 [0,2,0,0,0,0|2,0,0]=4 7371 B17R2.5121 Brc1cnccc1SCc2ccccc2I 62a_100011216222_100000726257 [0,2,0,0,0,0|2,0,0]=4 7372 B17R2.5121 Brc1ncccc1SCc2ccccc2I 62a_100010202626_100011216222 [0,2,0,0,0,0|2,0,0]=4 7373 B17R2.5121 Brc1ncccc1SCc2ccccc2I 62a_100011216222_100010202626 [0,2,0,0,0,0|2,0,0]=4 7374 B17R2.5121 C[n+]1ccccc1SCc2ccccc2Br 62a_100000184730_100000212160 [0,2,0,0,0,0|2,0,0]=4 7375 B17R2.5121 C[n+]1ccccc1SCc2ccccc2Cl 62a_100000187162_100000212160 [0,2,0,0,0,0|2,0,0]=4 7376 B17R2.5121 C[n+]1ccccc1SCc2ccccc2F 62a_100000211605_100000212160 [0,2,0,0,0,0|2,0,0]=4 7377 B17R2.5121 C[n+]1ccccc1SCc2ccccc2I 62a_100011216222_100000212160 [0,2,0,0,0,0|2,0,0]=4 7378 B17R2.5121 Cc1ccccc1C=Cc2ccccc2F 271570a_200102527919_100000210755 [0,2,0,0,0,0|2,0,0]=4 7379 B17R2.5121 Cc1ccccc1CNc2ccccc2Br 207a_100000210017_100000211143 [0,2,0,0,0,0|2,0,0]=4 7380 B17R2.5121 Cc1ccccc1CNc2ccccc2Br 34a_100000210017_100000211839 [0,2,0,0,0,0|2,0,0]=4 7381 B17R2.5121 Cc1ccccc1CNc2ccccc2C 207a_100015192222_100000211143 [0,2,0,0,0,0|2,0,0]=4 7382 B17R2.5121 Cc1ccccc1CNc2ccccc2C 270302a_100015192222_100000211143 [0,2,0,0,0,0|2,0,0]=4 7383 B17R2.5121 Cc1ccccc1CNc2ccccc2C 34a_100015192222_100000211839 [0,2,0,0,0,0|2,0,0]=4 7384 B17R2.5121 Cc1ccccc1CNc2ccccc2Cl 207a_100000185783_100000211143 [0,2,0,0,0,0|2,0,0]=4 7385 B17R2.5121 Cc1ccccc1CNc2ccccc2Cl 34a_100000185783_100000211839 [0,2,0,0,0,0|2,0,0]=4 7386 B17R2.5121 Cc1ccccc1CNc2ccccc2F 207a_100000210422_100000211143 [0,2,0,0,0,0|2,0,0]=4 7387 B17R2.5121 Cc1ccccc1CNc2ccccc2F 34a_100000210422_100000211839 [0,2,0,0,0,0|2,0,0]=4 7388 B17R2.5121 Cc1ccccc1CNc2ccccc2I 207a_100000210053_100000211143 [0,2,0,0,0,0|2,0,0]=4 7389 B17R2.5121 Cc1ccccc1CNc2ccccc2I 34a_100000210053_100000211839 [0,2,0,0,0,0|2,0,0]=4 7390 B17R2.5121 Cc1ccccc1CNc2ccccc2O 34a_100000185747_100000211839 [0,2,0,0,0,0|2,0,0]=4 7391 B17R2.5121 Cc1ccccc1COc2ccccc2Br 34a_100000181306_100000211839 [0,2,0,0,0,0|1,1,0]=4 7392 B17R2.5121 Cc1ccccc1COc2ccccc2Br 7a_100000181306_100000211839 [0,2,0,0,0,0|1,1,0]=4 7393 B17R2.5121 Cc1ccccc1COc2ccccc2C 34a_100000210338_100000211839 [0,2,0,0,0,0|1,1,0]=4 7394 B17R2.5121 Cc1ccccc1COc2ccccc2C 7a_100000210338_100000211839 [0,2,0,0,0,0|1,1,0]=4 7395 B17R2.5121 Cc1ccccc1COc2ccccc2Cl 34a_100000210172_100000211839 [0,2,0,0,0,0|1,1,0]=4 7396 B17R2.5121 Cc1ccccc1COc2ccccc2Cl 7a_100000210172_100000211839 [0,2,0,0,0,0|1,1,0]=4 7397 B17R2.5121 Cc1ccccc1COc2ccccc2F 34a_100000210171_100000211839 [0,2,0,0,0,0|1,1,0]=4 7398 B17R2.5121 Cc1ccccc1COc2ccccc2F 7a_100000210171_100000211839 [0,2,0,0,0,0|1,1,0]=4 7399 B17R2.5121 Cc1ccccc1COc2ccccc2I 34a_100000739446_100000211839 [0,2,0,0,0,0|1,1,0]=4 7400 B17R2.5121 Cc1ccccc1COc2ccccc2I 7a_100000739446_100000211839 [0,2,0,0,0,0|1,1,0]=4 7401 B17R2.5121 Cc1ccccc1COc2ccccc2N 34a_100000185747_100000211839 [0,2,0,0,0,0|1,1,0]=4 7402 B17R2.5121 Cc1ccccc1COc2ccccc2N 7a_100000185747_100000211839 [0,2,0,0,0,0|1,1,0]=4 7403 B17R2.5121 Cc1ccccc1COc2ccccc2O 271570a_203496583355_100000151724 [0,2,0,0,0,0|1,1,0]=4 7404 B17R2.5121 Cc1ccccc1CSc2c[nH]ccc2=O 62a_100000211839_100009998708 [0,2,0,0,0,0|2,0,0]=4 7405 B17R2.5121 Cc1ccccc1CSc2c[nH]ccc2=O 62a_100009998708_100000211839 [0,2,0,0,0,0|2,0,0]=4 7406 B17R2.5121 Cc1ccccc1CSc2c[nH]ccc2=S 62a_100000211839_200012280681 [0,2,0,0,0,0|2,0,0]=4 7407 B17R2.5121 Cc1ccccc1CSc2c[nH]ccc2=S 62a_200012280681_100000211839 [0,2,0,0,0,0|2,0,0]=4 7408 B17R2.5121 Cc1ccccc1CSc2cccc[n+]2C 62a_100000211839_100000212160 [0,2,0,0,0,0|2,0,0]=4 7409 B17R2.5121 Cc1ccccc1CSc2cccc[n+]2[O-] 62a_100000211839_200000042595 [0,2,0,0,0,0|2,0,0]=4 7410 B17R2.5121 Cc1ccccc1CSc2ccccc2Br 62a_100000211839_100000695589 [0,2,0,0,0,0|1,0,0]=3 7411 B17R2.5121 Cc1ccccc1CSc2ccccc2Br 62a_100000695589_100000211839 [0,2,0,0,0,0|1,0,0]=3 7412 B17R2.5121 Cc1ccccc1CSc2ccccc2C 62a_100000210755_100000211839 [0,2,0,0,0,0|1,0,0]=3 7413 B17R2.5121 Cc1ccccc1CSc2ccccc2C 62a_100000211839_100000210755 [0,2,0,0,0,0|1,0,0]=3 7414 B17R2.5121 Cc1ccccc1CSc2ccccc2Cl 62a_100000211839_100000764095 [0,2,0,0,0,0|1,0,0]=3 7415 B17R2.5121 Cc1ccccc1CSc2ccccc2Cl 62a_100000764095_100000211839 [0,2,0,0,0,0|1,0,0]=3 7416 B17R2.5121 Cc1ccccc1CSc2ccccc2F 62a_100000211839_100011215700 [0,2,0,0,0,0|1,0,0]=3 7417 B17R2.5121 Cc1ccccc1CSc2ccccc2F 62a_100011215700_100000211839 [0,2,0,0,0,0|1,0,0]=3 7418 B17R2.5121 Cc1ccccc1CSc2ccccc2N 62a_100000210017_100000211839 [0,2,0,0,0,0|1,0,0]=3 7419 B17R2.5121 Cc1ccccc1CSc2ccccc2N 62a_100000211839_100000210017 [0,2,0,0,0,0|1,0,0]=3 7420 B17R2.5121 Cc1ccccc1CSc2ccccc2O 62a_100000211839_100000739446 [0,2,0,0,0,0|1,0,0]=3 7421 B17R2.5121 Cc1ccccc1CSc2ccccc2O 62a_100000739446_100000211839 [0,2,0,0,0,0|1,0,0]=3 7422 B17R2.5121 Cc1ccccc1CSc2cccnc2Br 62a_100000211839_100010202626 [0,2,0,0,0,0|2,0,0]=4 7423 B17R2.5121 Cc1ccccc1CSc2cccnc2Br 62a_100010202626_100000211839 [0,2,0,0,0,0|2,0,0]=4 7424 B17R2.5121 Cc1ccccc1CSc2cccnc2C 62a_100000211839_100000751574 [0,2,0,0,0,0|2,0,0]=4 7425 B17R2.5121 Cc1ccccc1CSc2cccnc2C 62a_100000751574_100000211839 [0,2,0,0,0,0|2,0,0]=4 7426 B17R2.5121 Cc1ccccc1CSc2cccnc2Cl 62a_100000036424_100000211839 [0,2,0,0,0,0|2,0,0]=4 7427 B17R2.5121 Cc1ccccc1CSc2cccnc2Cl 62a_100000211839_100000036424 [0,2,0,0,0,0|2,0,0]=4 7428 B17R2.5121 Cc1ccccc1CSc2cccnc2F 62a_100000211839_100009816115 [0,2,0,0,0,0|2,0,0]=4 7429 B17R2.5121 Cc1ccccc1CSc2cccnc2F 62a_100009816115_100000211839 [0,2,0,0,0,0|2,0,0]=4 7430 B17R2.5121 Cc1ccccc1CSc2cccnc2N 62a_100000045569_100000211839 [0,2,0,0,0,0|2,0,0]=4 7431 B17R2.5121 Cc1ccccc1CSc2cccnc2N 62a_100000211839_100000045569 [0,2,0,0,0,0|2,0,0]=4 7432 B17R2.5121 Cc1ccccc1CSc2cccnc2O 62a_100000211839_100000760158 [0,2,0,0,0,0|2,0,0]=4 7433 B17R2.5121 Cc1ccccc1CSc2cccnc2O 62a_100000760158_100000211839 [0,2,0,0,0,0|2,0,0]=4 7434 B17R2.5121 Cc1ccccc1CSc2ccncc2Br 62a_100000211839_100000726257 [0,2,0,0,0,0|2,0,0]=4 7435 B17R2.5121 Cc1ccccc1CSc2ccncc2Br 62a_100000726257_100000211839 [0,2,0,0,0,0|2,0,0]=4 7436 B17R2.5121 Cc1ccccc1CSc2ccncc2C 62a_100000211839_100000765111 [0,2,0,0,0,0|2,0,0]=4 7437 B17R2.5121 Cc1ccccc1CSc2ccncc2C 62a_100000765111_100000211839 [0,2,0,0,0,0|2,0,0]=4 7438 B17R2.5121 Cc1ccccc1CSc2ccncc2Cl 62a_100000211839_100000708259 [0,2,0,0,0,0|2,0,0]=4 7439 B17R2.5121 Cc1ccccc1CSc2ccncc2Cl 62a_100000708259_100000211839 [0,2,0,0,0,0|2,0,0]=4 7440 B17R2.5121 Cc1ccccc1CSc2ccncc2F 62a_100000047030_100000211839 [0,2,0,0,0,0|2,0,0]=4 7441 B17R2.5121 Cc1ccccc1CSc2ccncc2F 62a_100000211839_100000047030 [0,2,0,0,0,0|2,0,0]=4 7442 B17R2.5121 Cc1ccccc1CSc2ccncc2N 62a_100000211839_100000756074 [0,2,0,0,0,0|2,0,0]=4 7443 B17R2.5121 Cc1ccccc1CSc2ccncc2N 62a_100000756074_100000211839 [0,2,0,0,0,0|2,0,0]=4 7444 B17R2.5121 Cc1ccccc1CSc2ccncc2O 62a_100000211839_100009817591 [0,2,0,0,0,0|2,0,0]=4 7445 B17R2.5121 Cc1ccccc1CSc2ccncc2O 62a_100009817591_100000211839 [0,2,0,0,0,0|2,0,0]=4 7446 B17R2.5121 Cc1ccccc1CSc2cnccc2Br 62a_100000211839_100010138639 [0,2,0,0,0,0|2,0,0]=4 7447 B17R2.5121 Cc1ccccc1CSc2cnccc2Br 62a_100010138639_100000211839 [0,2,0,0,0,0|2,0,0]=4 7448 B17R2.5121 Cc1ccccc1CSc2cnccc2C 62a_100000211839_100000761580 [0,2,0,0,0,0|2,0,0]=4 7449 B17R2.5121 Cc1ccccc1CSc2cnccc2C 62a_100000761580_100000211839 [0,2,0,0,0,0|2,0,0]=4 7450 B17R2.5121 Cc1ccccc1CSc2cnccc2Cl 62a_100000211839_100009995489 [0,2,0,0,0,0|2,0,0]=4 7451 B17R2.5121 Cc1ccccc1CSc2cnccc2Cl 62a_100009995489_100000211839 [0,2,0,0,0,0|2,0,0]=4 7452 B17R2.5121 Cc1ccccc1CSc2cnccc2F 62a_100000211839_100009820683 [0,2,0,0,0,0|2,0,0]=4 7453 B17R2.5121 Cc1ccccc1CSc2cnccc2F 62a_100009820683_100000211839 [0,2,0,0,0,0|2,0,0]=4 7454 B17R2.5121 Cc1ccccc1CSc2cnccc2N 62a_100000047001_100000211839 [0,2,0,0,0,0|2,0,0]=4 7455 B17R2.5121 Cc1ccccc1CSc2cnccc2N 62a_100000211839_100000047001 [0,2,0,0,0,0|2,0,0]=4 7456 B17R2.5121 Cc1ccccc1CSc2ncccc2Br 62a_100000211839_100000696092 [0,2,0,0,0,0|2,0,0]=4 7457 B17R2.5121 Cc1ccccc1CSc2ncccc2Br 62a_100000696092_100000211839 [0,2,0,0,0,0|2,0,0]=4 7458 B17R2.5121 Cc1ccccc1CSc2ncccc2C 62a_100000211839_100000751373 [0,2,0,0,0,0|2,0,0]=4 7459 B17R2.5121 Cc1ccccc1CSc2ncccc2C 62a_100000751373_100000211839 [0,2,0,0,0,0|2,0,0]=4 7460 B17R2.5121 Cc1ccccc1CSc2ncccc2Cl 62a_100000211839_100011356963 [0,2,0,0,0,0|2,0,0]=4 7461 B17R2.5121 Cc1ccccc1CSc2ncccc2Cl 62a_100011356963_100000211839 [0,2,0,0,0,0|2,0,0]=4 7462 B17R2.5121 Cc1ccccc1CSc2ncccc2F 62a_100000211839_100000685392 [0,2,0,0,0,0|2,0,0]=4 7463 B17R2.5121 Cc1ccccc1CSc2ncccc2F 62a_100000685392_100000211839 [0,2,0,0,0,0|2,0,0]=4 7464 B17R2.5121 Cc1ccccc1CSc2ncccc2N 62a_100000211839_100000688686 [0,2,0,0,0,0|2,0,0]=4 7465 B17R2.5121 Cc1ccccc1CSc2ncccc2N 62a_100000688686_100000211839 [0,2,0,0,0,0|2,0,0]=4 7466 B17R2.5121 Cc1ccccc1CSc2ncccc2O 62a_100000034122_100000211839 [0,2,0,0,0,0|2,0,0]=4 7467 B17R2.5121 Cc1ccccc1CSc2ncccc2O 62a_100000211839_100000034122 [0,2,0,0,0,0|2,0,0]=4 7468 B17R2.5121 Cc1ccccc1NCc2ccccc2Br 207a_100015192222_100000211189 [0,2,0,0,0,0|2,0,0]=4 7469 B17R2.5121 Cc1ccccc1NCc2ccccc2Br 270302a_100015192222_100000211189 [0,2,0,0,0,0|2,0,0]=4 7470 B17R2.5121 Cc1ccccc1NCc2ccccc2Br 34a_100015192222_100000184730 [0,2,0,0,0,0|2,0,0]=4 7471 B17R2.5121 Cc1ccccc1NCc2ccccc2Cl 207a_100015192222_100000210073 [0,2,0,0,0,0|2,0,0]=4 7472 B17R2.5121 Cc1ccccc1NCc2ccccc2Cl 270302a_100015192222_100000210073 [0,2,0,0,0,0|2,0,0]=4 7473 B17R2.5121 Cc1ccccc1NCc2ccccc2Cl 34a_100015192222_100000187162 [0,2,0,0,0,0|2,0,0]=4 7474 B17R2.5121 Cc1ccccc1NCc2ccccc2F 207a_100015192222_100000210811 [0,2,0,0,0,0|2,0,0]=4 7475 B17R2.5121 Cc1ccccc1NCc2ccccc2F 270302a_100015192222_100000210811 [0,2,0,0,0,0|2,0,0]=4 7476 B17R2.5121 Cc1ccccc1NCc2ccccc2F 34a_100015192222_100000211605 [0,2,0,0,0,0|2,0,0]=4 7477 B17R2.5121 Cc1ccccc1NCc2ccccc2I 207a_100015192222_100000010305 [0,2,0,0,0,0|2,0,0]=4 7478 B17R2.5121 Cc1ccccc1NCc2ccccc2I 34a_100015192222_100011215278 [0,2,0,0,0,0|2,0,0]=4 7479 B17R2.5121 Cc1ccccc1NCc2ccccc2O 270302a_100015192222_100000185834 [0,2,0,0,0,0|2,0,0]=4 7480 B17R2.5121 Cc1ccccc1OCc2ccccc2Br 34a_100000210338_100000184730 [0,2,0,0,0,0|1,1,0]=4 7481 B17R2.5121 Cc1ccccc1OCc2ccccc2Br 7a_100000210338_100000184730 [0,2,0,0,0,0|1,1,0]=4 7482 B17R2.5121 Cc1ccccc1OCc2ccccc2Cl 34a_100000210338_100000187162 [0,2,0,0,0,0|1,1,0]=4 7483 B17R2.5121 Cc1ccccc1OCc2ccccc2Cl 7a_100000210338_100000187162 [0,2,0,0,0,0|1,1,0]=4 7484 B17R2.5121 Cc1ccccc1OCc2ccccc2F 34a_100000210338_100000211605 [0,2,0,0,0,0|1,1,0]=4 7485 B17R2.5121 Cc1ccccc1OCc2ccccc2F 7a_100000210338_100000211605 [0,2,0,0,0,0|1,1,0]=4 7486 B17R2.5121 Cc1ccccc1OCc2ccccc2I 34a_100000210338_100011215278 [0,2,0,0,0,0|1,1,0]=4 7487 B17R2.5121 Cc1ccccc1OCc2ccccc2I 7a_100000210338_100011215278 [0,2,0,0,0,0|1,1,0]=4 7488 B17R2.5121 Cc1ccccc1SCc2ccccc2Br 62a_100000184730_100000210755 [0,2,0,0,0,0|1,0,0]=3 7489 B17R2.5121 Cc1ccccc1SCc2ccccc2Br 62a_100000210755_100000184730 [0,2,0,0,0,0|1,0,0]=3 7490 B17R2.5121 Cc1ccccc1SCc2ccccc2Cl 62a_100000187162_100000210755 [0,2,0,0,0,0|1,0,0]=3 7491 B17R2.5121 Cc1ccccc1SCc2ccccc2Cl 62a_100000210755_100000187162 [0,2,0,0,0,0|1,0,0]=3 7492 B17R2.5121 Cc1ccccc1SCc2ccccc2F 62a_100000210755_100000211605 [0,2,0,0,0,0|1,0,0]=3 7493 B17R2.5121 Cc1ccccc1SCc2ccccc2F 62a_100000211605_100000210755 [0,2,0,0,0,0|1,0,0]=3 7494 B17R2.5121 Cc1ccccc1SCc2ccccc2I 62a_100000210755_100011216222 [0,2,0,0,0,0|1,0,0]=3 7495 B17R2.5121 Cc1ccccc1SCc2ccccc2I 62a_100011216222_100000210755 [0,2,0,0,0,0|1,0,0]=3 7496 B17R2.5121 Cc1ccccc1SCc2cccnc2Br 62a_100000210755_100010140945 [0,2,0,0,0,0|2,0,0]=4 7497 B17R2.5121 Cc1ccccc1SCc2cccnc2Br 62a_100010140945_100000210755 [0,2,0,0,0,0|2,0,0]=4 7498 B17R2.5121 Cc1ccccc1SCc2cccnc2C 62a_100000210755_100000732876 [0,2,0,0,0,0|2,0,0]=4 7499 B17R2.5121 Cc1ccccc1SCc2cccnc2C 62a_100000732876_100000210755 [0,2,0,0,0,0|2,0,0]=4 7500 B17R2.5121 Cc1ccccc1SCc2cccnc2Cl 62a_100000045678_100000210755 [0,2,0,0,0,0|2,0,0]=4 7501 B17R2.5121 Cc1ccccc1SCc2cccnc2Cl 62a_100000210755_100000045678 [0,2,0,0,0,0|2,0,0]=4 7502 B17R2.5121 Cc1ccccc1SCc2cccnc2F 62a_100000099810_100000210755 [0,2,0,0,0,0|2,0,0]=4 7503 B17R2.5121 Cc1ccccc1SCc2cccnc2F 62a_100000210755_100000099810 [0,2,0,0,0,0|2,0,0]=4 7504 B17R2.5121 Cc1ccccc1SCc2ccncc2Cl 62a_100000210755_100000763264 [0,2,0,0,0,0|2,0,0]=4 7505 B17R2.5121 Cc1ccccc1SCc2ccncc2Cl 62a_100000763264_100000210755 [0,2,0,0,0,0|2,0,0]=4 7506 B17R2.5121 Cc1ccccc1SCc2ncccc2Br 62a_100000210755_100025702911 [0,2,0,0,0,0|2,0,0]=4 7507 B17R2.5121 Cc1ccccc1SCc2ncccc2Br 62a_100025702911_100000210755 [0,2,0,0,0,0|2,0,0]=4 7508 B17R2.5121 Cc1ccccc1SCc2ncccc2C 62a_100000210755_100000696600 [0,2,0,0,0,0|2,0,0]=4 7509 B17R2.5121 Cc1ccccc1SCc2ncccc2C 62a_100000696600_100000210755 [0,2,0,0,0,0|2,0,0]=4 7510 B17R2.5121 Cc1ccccc1SCc2ncccc2Cl 62a_100000099807_100000210755 [0,2,0,0,0,0|2,0,0]=4 7511 B17R2.5121 Cc1ccccc1SCc2ncccc2Cl 62a_100000210755_100000099807 [0,2,0,0,0,0|2,0,0]=4 7512 B17R2.5121 Cc1ccccc1SCc2ncccc2F 62a_100000104219_100000210755 [0,2,0,0,0,0|2,0,0]=4 7513 B17R2.5121 Cc1ccccc1SCc2ncccc2F 62a_100000210755_100000104219 [0,2,0,0,0,0|2,0,0]=4 7514 B17R2.5121 Cc1ccccc1SCc2ncccc2O 62a_100000210755_200020655725 [0,2,0,0,0,0|2,0,0]=4 7515 B17R2.5121 Cc1ccccc1SCc2ncccc2O 62a_200020655725_100000210755 [0,2,0,0,0,0|2,0,0]=4 7516 B17R2.5121 Cc1cccnc1CSc2ccccc2Br 62a_100000695589_100000696600 [0,2,0,0,0,0|2,0,0]=4 7517 B17R2.5121 Cc1cccnc1CSc2ccccc2Br 62a_100000696600_100000695589 [0,2,0,0,0,0|2,0,0]=4 7518 B17R2.5121 Cc1cccnc1CSc2ccccc2Cl 62a_100000696600_100000764095 [0,2,0,0,0,0|2,0,0]=4 7519 B17R2.5121 Cc1cccnc1CSc2ccccc2Cl 62a_100000764095_100000696600 [0,2,0,0,0,0|2,0,0]=4 7520 B17R2.5121 Cc1cccnc1CSc2ccccc2F 62a_100000696600_100011215700 [0,2,0,0,0,0|2,0,0]=4 7521 B17R2.5121 Cc1cccnc1CSc2ccccc2F 62a_100011215700_100000696600 [0,2,0,0,0,0|2,0,0]=4 7522 B17R2.5121 Cc1cccnc1CSc2ccccc2N 62a_100000210017_100000696600 [0,2,0,0,0,0|2,0,0]=4 7523 B17R2.5121 Cc1cccnc1CSc2ccccc2N 62a_100000696600_100000210017 [0,2,0,0,0,0|2,0,0]=4 7524 B17R2.5121 Cc1cccnc1CSc2ccccc2O 62a_100000696600_100000739446 [0,2,0,0,0,0|2,0,0]=4 7525 B17R2.5121 Cc1cccnc1CSc2ccccc2O 62a_100000739446_100000696600 [0,2,0,0,0,0|2,0,0]=4 7526 B17R2.5121 Cc1cccnc1SCc2ccccc2Br 62a_100000184730_100000751373 [0,2,0,0,0,0|2,0,0]=4 7527 B17R2.5121 Cc1cccnc1SCc2ccccc2Br 62a_100000751373_100000184730 [0,2,0,0,0,0|2,0,0]=4 7528 B17R2.5121 Cc1cccnc1SCc2ccccc2Cl 62a_100000187162_100000751373 [0,2,0,0,0,0|2,0,0]=4 7529 B17R2.5121 Cc1cccnc1SCc2ccccc2Cl 62a_100000751373_100000187162 [0,2,0,0,0,0|2,0,0]=4 7530 B17R2.5121 Cc1cccnc1SCc2ccccc2F 62a_100000211605_100000751373 [0,2,0,0,0,0|2,0,0]=4 7531 B17R2.5121 Cc1cccnc1SCc2ccccc2F 62a_100000751373_100000211605 [0,2,0,0,0,0|2,0,0]=4 7532 B17R2.5121 Cc1cccnc1SCc2ccccc2I 62a_100000751373_100011216222 [0,2,0,0,0,0|2,0,0]=4 7533 B17R2.5121 Cc1cccnc1SCc2ccccc2I 62a_100011216222_100000751373 [0,2,0,0,0,0|2,0,0]=4 7534 B17R2.5121 Cc1ccncc1CSc2ccccc2Br 62a_100000690890_100000695589 [0,2,0,0,0,0|2,0,0]=4 7535 B17R2.5121 Cc1ccncc1CSc2ccccc2Br 62a_100000695589_100000690890 [0,2,0,0,0,0|2,0,0]=4 7536 B17R2.5121 Cc1ccncc1CSc2ccccc2C 62a_100000210755_100000690890 [0,2,0,0,0,0|2,0,0]=4 7537 B17R2.5121 Cc1ccncc1CSc2ccccc2C 62a_100000690890_100000210755 [0,2,0,0,0,0|2,0,0]=4 7538 B17R2.5121 Cc1ccncc1CSc2ccccc2Cl 62a_100000690890_100000764095 [0,2,0,0,0,0|2,0,0]=4 7539 B17R2.5121 Cc1ccncc1CSc2ccccc2Cl 62a_100000764095_100000690890 [0,2,0,0,0,0|2,0,0]=4 7540 B17R2.5121 Cc1ccncc1CSc2ccccc2F 62a_100000690890_100011215700 [0,2,0,0,0,0|2,0,0]=4 7541 B17R2.5121 Cc1ccncc1CSc2ccccc2F 62a_100011215700_100000690890 [0,2,0,0,0,0|2,0,0]=4 7542 B17R2.5121 Cc1ccncc1CSc2ccccc2N 62a_100000210017_100000690890 [0,2,0,0,0,0|2,0,0]=4 7543 B17R2.5121 Cc1ccncc1CSc2ccccc2N 62a_100000690890_100000210017 [0,2,0,0,0,0|2,0,0]=4 7544 B17R2.5121 Cc1ccncc1CSc2ccccc2O 62a_100000690890_100000739446 [0,2,0,0,0,0|2,0,0]=4 7545 B17R2.5121 Cc1ccncc1CSc2ccccc2O 62a_100000739446_100000690890 [0,2,0,0,0,0|2,0,0]=4 7546 B17R2.5121 Cc1ccncc1SCc2ccccc2Br 62a_100000184730_100000761580 [0,2,0,0,0,0|2,0,0]=4 7547 B17R2.5121 Cc1ccncc1SCc2ccccc2Br 62a_100000761580_100000184730 [0,2,0,0,0,0|2,0,0]=4 7548 B17R2.5121 Cc1ccncc1SCc2ccccc2Cl 62a_100000187162_100000761580 [0,2,0,0,0,0|2,0,0]=4 7549 B17R2.5121 Cc1ccncc1SCc2ccccc2Cl 62a_100000761580_100000187162 [0,2,0,0,0,0|2,0,0]=4 7550 B17R2.5121 Cc1ccncc1SCc2ccccc2F 62a_100000211605_100000761580 [0,2,0,0,0,0|2,0,0]=4 7551 B17R2.5121 Cc1ccncc1SCc2ccccc2F 62a_100000761580_100000211605 [0,2,0,0,0,0|2,0,0]=4 7552 B17R2.5121 Cc1ccncc1SCc2ccccc2I 62a_100000761580_100011216222 [0,2,0,0,0,0|2,0,0]=4 7553 B17R2.5121 Cc1ccncc1SCc2ccccc2I 62a_100011216222_100000761580 [0,2,0,0,0,0|2,0,0]=4 7554 B17R2.5121 Cc1cnccc1CSc2ccccc2Br 62a_100000695589_100020672808 [0,2,0,0,0,0|2,0,0]=4 7555 B17R2.5121 Cc1cnccc1CSc2ccccc2Br 62a_100020672808_100000695589 [0,2,0,0,0,0|2,0,0]=4 7556 B17R2.5121 Cc1cnccc1CSc2ccccc2C 62a_100000210755_100020672808 [0,2,0,0,0,0|2,0,0]=4 7557 B17R2.5121 Cc1cnccc1CSc2ccccc2C 62a_100020672808_100000210755 [0,2,0,0,0,0|2,0,0]=4 7558 B17R2.5121 Cc1cnccc1CSc2ccccc2Cl 62a_100000764095_100020672808 [0,2,0,0,0,0|2,0,0]=4 7559 B17R2.5121 Cc1cnccc1CSc2ccccc2Cl 62a_100020672808_100000764095 [0,2,0,0,0,0|2,0,0]=4 7560 B17R2.5121 Cc1cnccc1CSc2ccccc2F 62a_100011215700_100020672808 [0,2,0,0,0,0|2,0,0]=4 7561 B17R2.5121 Cc1cnccc1CSc2ccccc2F 62a_100020672808_100011215700 [0,2,0,0,0,0|2,0,0]=4 7562 B17R2.5121 Cc1cnccc1CSc2ccccc2N 62a_100000210017_100020672808 [0,2,0,0,0,0|2,0,0]=4 7563 B17R2.5121 Cc1cnccc1CSc2ccccc2N 62a_100020672808_100000210017 [0,2,0,0,0,0|2,0,0]=4 7564 B17R2.5121 Cc1cnccc1CSc2ccccc2O 62a_100000739446_100020672808 [0,2,0,0,0,0|2,0,0]=4 7565 B17R2.5121 Cc1cnccc1CSc2ccccc2O 62a_100020672808_100000739446 [0,2,0,0,0,0|2,0,0]=4 7566 B17R2.5121 Cc1cnccc1SCc2ccccc2Br 62a_100000184730_100000765111 [0,2,0,0,0,0|2,0,0]=4 7567 B17R2.5121 Cc1cnccc1SCc2ccccc2Br 62a_100000765111_100000184730 [0,2,0,0,0,0|2,0,0]=4 7568 B17R2.5121 Cc1cnccc1SCc2ccccc2Cl 62a_100000187162_100000765111 [0,2,0,0,0,0|2,0,0]=4 7569 B17R2.5121 Cc1cnccc1SCc2ccccc2Cl 62a_100000765111_100000187162 [0,2,0,0,0,0|2,0,0]=4 7570 B17R2.5121 Cc1cnccc1SCc2ccccc2F 62a_100000211605_100000765111 [0,2,0,0,0,0|2,0,0]=4 7571 B17R2.5121 Cc1cnccc1SCc2ccccc2F 62a_100000765111_100000211605 [0,2,0,0,0,0|2,0,0]=4 7572 B17R2.5121 Cc1cnccc1SCc2ccccc2I 62a_100000765111_100011216222 [0,2,0,0,0,0|2,0,0]=4 7573 B17R2.5121 Cc1cnccc1SCc2ccccc2I 62a_100011216222_100000765111 [0,2,0,0,0,0|2,0,0]=4 7574 B17R2.5121 Cc1ncccc1CSc2ccccc2Br 62a_100000695589_100000732876 [0,2,0,0,0,0|2,0,0]=4 7575 B17R2.5121 Cc1ncccc1CSc2ccccc2Br 62a_100000732876_100000695589 [0,2,0,0,0,0|2,0,0]=4 7576 B17R2.5121 Cc1ncccc1CSc2ccccc2Cl 62a_100000732876_100000764095 [0,2,0,0,0,0|2,0,0]=4 7577 B17R2.5121 Cc1ncccc1CSc2ccccc2Cl 62a_100000764095_100000732876 [0,2,0,0,0,0|2,0,0]=4 7578 B17R2.5121 Cc1ncccc1CSc2ccccc2F 62a_100000732876_100011215700 [0,2,0,0,0,0|2,0,0]=4 7579 B17R2.5121 Cc1ncccc1CSc2ccccc2F 62a_100011215700_100000732876 [0,2,0,0,0,0|2,0,0]=4 7580 B17R2.5121 Cc1ncccc1CSc2ccccc2N 62a_100000210017_100000732876 [0,2,0,0,0,0|2,0,0]=4 7581 B17R2.5121 Cc1ncccc1CSc2ccccc2N 62a_100000732876_100000210017 [0,2,0,0,0,0|2,0,0]=4 7582 B17R2.5121 Cc1ncccc1CSc2ccccc2O 62a_100000732876_100000739446 [0,2,0,0,0,0|2,0,0]=4 7583 B17R2.5121 Cc1ncccc1CSc2ccccc2O 62a_100000739446_100000732876 [0,2,0,0,0,0|2,0,0]=4 7584 B17R2.5121 Cc1ncccc1SCc2ccccc2Br 62a_100000184730_100000751574 [0,2,0,0,0,0|2,0,0]=4 7585 B17R2.5121 Cc1ncccc1SCc2ccccc2Br 62a_100000751574_100000184730 [0,2,0,0,0,0|2,0,0]=4 7586 B17R2.5121 Cc1ncccc1SCc2ccccc2Cl 62a_100000187162_100000751574 [0,2,0,0,0,0|2,0,0]=4 7587 B17R2.5121 Cc1ncccc1SCc2ccccc2Cl 62a_100000751574_100000187162 [0,2,0,0,0,0|2,0,0]=4 7588 B17R2.5121 Cc1ncccc1SCc2ccccc2F 62a_100000211605_100000751574 [0,2,0,0,0,0|2,0,0]=4 7589 B17R2.5121 Cc1ncccc1SCc2ccccc2F 62a_100000751574_100000211605 [0,2,0,0,0,0|2,0,0]=4 7590 B17R2.5121 Cc1ncccc1SCc2ccccc2I 62a_100000751574_100011216222 [0,2,0,0,0,0|2,0,0]=4 7591 B17R2.5121 Cc1ncccc1SCc2ccccc2I 62a_100011216222_100000751574 [0,2,0,0,0,0|2,0,0]=4 7592 B17R2.5121 Clc1ccccc1CNc2ccccc2Br 207a_100000210017_100000210073 [0,2,0,0,0,0|2,0,0]=4 7593 B17R2.5121 Clc1ccccc1CNc2ccccc2Br 34a_100000210017_100000187162 [0,2,0,0,0,0|2,0,0]=4 7594 B17R2.5121 Clc1ccccc1CNc2ccccc2Cl 207a_100000185783_100000210073 [0,2,0,0,0,0|2,0,0]=4 7595 B17R2.5121 Clc1ccccc1CNc2ccccc2Cl 34a_100000185783_100000187162 [0,2,0,0,0,0|2,0,0]=4 7596 B17R2.5121 Clc1ccccc1CNc2ccccc2I 207a_100000210053_100000210073 [0,2,0,0,0,0|2,0,0]=4 7597 B17R2.5121 Clc1ccccc1CNc2ccccc2I 34a_100000210053_100000187162 [0,2,0,0,0,0|2,0,0]=4 7598 B17R2.5121 Clc1ccccc1COc2ccccc2Br 34a_100000181306_100000187162 [0,2,0,0,0,0|1,1,0]=4 7599 B17R2.5121 Clc1ccccc1COc2ccccc2Br 7a_100000181306_100000187162 [0,2,0,0,0,0|1,1,0]=4 7600 B17R2.5121 Clc1ccccc1COc2ccccc2Cl 34a_100000210172_100000187162 [0,2,0,0,0,0|1,1,0]=4 7601 B17R2.5121 Clc1ccccc1COc2ccccc2Cl 7a_100000210172_100000187162 [0,2,0,0,0,0|1,1,0]=4 7602 B17R2.5121 Clc1ccccc1COc2ccccc2I 34a_100000739446_100000187162 [0,2,0,0,0,0|1,1,0]=4 7603 B17R2.5121 Clc1ccccc1COc2ccccc2I 7a_100000739446_100000187162 [0,2,0,0,0,0|1,1,0]=4 7604 B17R2.5121 Clc1ccccc1CSc2ccccc2Br 62a_100000187162_100000695589 [0,2,0,0,0,0|1,0,0]=3 7605 B17R2.5121 Clc1ccccc1CSc2ccccc2Br 62a_100000695589_100000187162 [0,2,0,0,0,0|1,0,0]=3 7606 B17R2.5121 Clc1ccccc1CSc2ccccc2Cl 62a_100000187162_100000764095 [0,2,0,0,0,0|1,0,0]=3 7607 B17R2.5121 Clc1ccccc1CSc2ccccc2Cl 62a_100000764095_100000187162 [0,2,0,0,0,0|1,0,0]=3 7608 B17R2.5121 Clc1ccccc1CSc2cccnc2Br 62a_100000187162_100010202626 [0,2,0,0,0,0|2,0,0]=4 7609 B17R2.5121 Clc1ccccc1CSc2cccnc2Br 62a_100010202626_100000187162 [0,2,0,0,0,0|2,0,0]=4 7610 B17R2.5121 Clc1ccccc1CSc2cccnc2Cl 62a_100000036424_100000187162 [0,2,0,0,0,0|2,0,0]=4 7611 B17R2.5121 Clc1ccccc1CSc2cccnc2Cl 62a_100000187162_100000036424 [0,2,0,0,0,0|2,0,0]=4 7612 B17R2.5121 Clc1ccccc1CSc2ccncc2Br 62a_100000187162_100000726257 [0,2,0,0,0,0|2,0,0]=4 7613 B17R2.5121 Clc1ccccc1CSc2ccncc2Br 62a_100000726257_100000187162 [0,2,0,0,0,0|2,0,0]=4 7614 B17R2.5121 Clc1ccccc1CSc2ccncc2Cl 62a_100000187162_100000708259 [0,2,0,0,0,0|2,0,0]=4 7615 B17R2.5121 Clc1ccccc1CSc2ccncc2Cl 62a_100000708259_100000187162 [0,2,0,0,0,0|2,0,0]=4 7616 B17R2.5121 Clc1ccccc1CSc2cnccc2Br 62a_100000187162_100010138639 [0,2,0,0,0,0|2,0,0]=4 7617 B17R2.5121 Clc1ccccc1CSc2cnccc2Br 62a_100010138639_100000187162 [0,2,0,0,0,0|2,0,0]=4 7618 B17R2.5121 Clc1ccccc1CSc2cnccc2Cl 62a_100000187162_100009995489 [0,2,0,0,0,0|2,0,0]=4 7619 B17R2.5121 Clc1ccccc1CSc2cnccc2Cl 62a_100009995489_100000187162 [0,2,0,0,0,0|2,0,0]=4 7620 B17R2.5121 Clc1ccccc1CSc2ncccc2Br 62a_100000187162_100000696092 [0,2,0,0,0,0|2,0,0]=4 7621 B17R2.5121 Clc1ccccc1CSc2ncccc2Br 62a_100000696092_100000187162 [0,2,0,0,0,0|2,0,0]=4 7622 B17R2.5121 Clc1ccccc1CSc2ncccc2Cl 62a_100000187162_100011356963 [0,2,0,0,0,0|2,0,0]=4 7623 B17R2.5121 Clc1ccccc1CSc2ncccc2Cl 62a_100011356963_100000187162 [0,2,0,0,0,0|2,0,0]=4 7624 B17R2.5121 Clc1ccccc1NCc2ccccc2Br 207a_100000185783_100000211189 [0,2,0,0,0,0|2,0,0]=4 7625 B17R2.5121 Clc1ccccc1NCc2ccccc2Br 34a_100000185783_100000184730 [0,2,0,0,0,0|2,0,0]=4 7626 B17R2.5121 Clc1ccccc1NCc2ccccc2I 207a_100000185783_100000010305 [0,2,0,0,0,0|2,0,0]=4 7627 B17R2.5121 Clc1ccccc1NCc2ccccc2I 34a_100000185783_100011215278 [0,2,0,0,0,0|2,0,0]=4 7628 B17R2.5121 Clc1ccccc1OCc2ccccc2Br 34a_100000210172_100000184730 [0,2,0,0,0,0|1,1,0]=4 7629 B17R2.5121 Clc1ccccc1OCc2ccccc2Br 7a_100000210172_100000184730 [0,2,0,0,0,0|1,1,0]=4 7630 B17R2.5121 Clc1ccccc1OCc2ccccc2I 34a_100000210172_100011215278 [0,2,0,0,0,0|1,1,0]=4 7631 B17R2.5121 Clc1ccccc1OCc2ccccc2I 7a_100000210172_100011215278 [0,2,0,0,0,0|1,1,0]=4 7632 B17R2.5121 Clc1ccccc1SCc2ccccc2Br 62a_100000184730_100000764095 [0,2,0,0,0,0|1,0,0]=3 7633 B17R2.5121 Clc1ccccc1SCc2ccccc2Br 62a_100000764095_100000184730 [0,2,0,0,0,0|1,0,0]=3 7634 B17R2.5121 Clc1ccccc1SCc2ccccc2I 62a_100000764095_100011216222 [0,2,0,0,0,0|1,0,0]=3 7635 B17R2.5121 Clc1ccccc1SCc2ccccc2I 62a_100011216222_100000764095 [0,2,0,0,0,0|1,0,0]=3 7636 B17R2.5121 Clc1ccccc1SCc2cccnc2Br 62a_100000764095_100010140945 [0,2,0,0,0,0|2,0,0]=4 7637 B17R2.5121 Clc1ccccc1SCc2cccnc2Br 62a_100010140945_100000764095 [0,2,0,0,0,0|2,0,0]=4 7638 B17R2.5121 Clc1ccccc1SCc2cccnc2Cl 62a_100000045678_100000764095 [0,2,0,0,0,0|2,0,0]=4 7639 B17R2.5121 Clc1ccccc1SCc2cccnc2Cl 62a_100000764095_100000045678 [0,2,0,0,0,0|2,0,0]=4 7640 B17R2.5121 Clc1ccccc1SCc2ncccc2Br 62a_100000764095_100025702911 [0,2,0,0,0,0|2,0,0]=4 7641 B17R2.5121 Clc1ccccc1SCc2ncccc2Br 62a_100025702911_100000764095 [0,2,0,0,0,0|2,0,0]=4 7642 B17R2.5121 Clc1ccccc1SCc2ncccc2Cl 62a_100000099807_100000764095 [0,2,0,0,0,0|2,0,0]=4 7643 B17R2.5121 Clc1ccccc1SCc2ncccc2Cl 62a_100000764095_100000099807 [0,2,0,0,0,0|2,0,0]=4 7644 B17R2.5121 Clc1cccnc1CSc2ccccc2Br 62a_100000099807_100000695589 [0,2,0,0,0,0|2,0,0]=4 7645 B17R2.5121 Clc1cccnc1CSc2ccccc2Br 62a_100000695589_100000099807 [0,2,0,0,0,0|2,0,0]=4 7646 B17R2.5121 Clc1cccnc1SCc2ccccc2Br 62a_100000184730_100011356963 [0,2,0,0,0,0|2,0,0]=4 7647 B17R2.5121 Clc1cccnc1SCc2ccccc2Br 62a_100011356963_100000184730 [0,2,0,0,0,0|2,0,0]=4 7648 B17R2.5121 Clc1cccnc1SCc2ccccc2I 62a_100011216222_100011356963 [0,2,0,0,0,0|2,0,0]=4 7649 B17R2.5121 Clc1cccnc1SCc2ccccc2I 62a_100011356963_100011216222 [0,2,0,0,0,0|2,0,0]=4 7650 B17R2.5121 Clc1ccncc1SCc2ccccc2Br 62a_100000184730_100009995489 [0,2,0,0,0,0|2,0,0]=4 7651 B17R2.5121 Clc1ccncc1SCc2ccccc2Br 62a_100009995489_100000184730 [0,2,0,0,0,0|2,0,0]=4 7652 B17R2.5121 Clc1ccncc1SCc2ccccc2I 62a_100009995489_100011216222 [0,2,0,0,0,0|2,0,0]=4 7653 B17R2.5121 Clc1ccncc1SCc2ccccc2I 62a_100011216222_100009995489 [0,2,0,0,0,0|2,0,0]=4 7654 B17R2.5121 Clc1cnccc1CSc2ccccc2Br 62a_100000695589_100000763264 [0,2,0,0,0,0|2,0,0]=4 7655 B17R2.5121 Clc1cnccc1CSc2ccccc2Br 62a_100000763264_100000695589 [0,2,0,0,0,0|2,0,0]=4 7656 B17R2.5121 Clc1cnccc1CSc2ccccc2Cl 62a_100000763264_100000764095 [0,2,0,0,0,0|2,0,0]=4 7657 B17R2.5121 Clc1cnccc1CSc2ccccc2Cl 62a_100000764095_100000763264 [0,2,0,0,0,0|2,0,0]=4 7658 B17R2.5121 Clc1cnccc1SCc2ccccc2Br 62a_100000184730_100000708259 [0,2,0,0,0,0|2,0,0]=4 7659 B17R2.5121 Clc1cnccc1SCc2ccccc2Br 62a_100000708259_100000184730 [0,2,0,0,0,0|2,0,0]=4 7660 B17R2.5121 Clc1cnccc1SCc2ccccc2I 62a_100000708259_100011216222 [0,2,0,0,0,0|2,0,0]=4 7661 B17R2.5121 Clc1cnccc1SCc2ccccc2I 62a_100011216222_100000708259 [0,2,0,0,0,0|2,0,0]=4 7662 B17R2.5121 Clc1ncccc1CSc2ccccc2Br 62a_100000045678_100000695589 [0,2,0,0,0,0|2,0,0]=4 7663 B17R2.5121 Clc1ncccc1CSc2ccccc2Br 62a_100000695589_100000045678 [0,2,0,0,0,0|2,0,0]=4 7664 B17R2.5121 Clc1ncccc1SCc2ccccc2Br 62a_100000036424_100000184730 [0,2,0,0,0,0|2,0,0]=4 7665 B17R2.5121 Clc1ncccc1SCc2ccccc2Br 62a_100000184730_100000036424 [0,2,0,0,0,0|2,0,0]=4 7666 B17R2.5121 Clc1ncccc1SCc2ccccc2I 62a_100000036424_100011216222 [0,2,0,0,0,0|2,0,0]=4 7667 B17R2.5121 Clc1ncccc1SCc2ccccc2I 62a_100011216222_100000036424 [0,2,0,0,0,0|2,0,0]=4 7668 B17R2.5121 Fc1ccccc1C=Cc2ccccc2Br 271570a_200102527919_100000695589 [0,2,0,0,0,0|2,0,0]=4 7669 B17R2.5121 Fc1ccccc1C=Cc2ccccc2Cl 271570a_200102527919_100000764095 [0,2,0,0,0,0|2,0,0]=4 7670 B17R2.5121 Fc1ccccc1C=Cc2ccccc2F 271570a_200102527919_100011215700 [0,2,0,0,0,0|2,0,0]=4 7671 B17R2.5121 Fc1ccccc1CNc2ccccc2Br 207a_100000210017_100000210811 [0,2,0,0,0,0|2,0,0]=4 7672 B17R2.5121 Fc1ccccc1CNc2ccccc2Br 34a_100000210017_100000211605 [0,2,0,0,0,0|2,0,0]=4 7673 B17R2.5121 Fc1ccccc1CNc2ccccc2Cl 207a_100000185783_100000210811 [0,2,0,0,0,0|2,0,0]=4 7674 B17R2.5121 Fc1ccccc1CNc2ccccc2Cl 34a_100000185783_100000211605 [0,2,0,0,0,0|2,0,0]=4 7675 B17R2.5121 Fc1ccccc1CNc2ccccc2F 207a_100000210422_100000210811 [0,2,0,0,0,0|2,0,0]=4 7676 B17R2.5121 Fc1ccccc1CNc2ccccc2F 34a_100000210422_100000211605 [0,2,0,0,0,0|2,0,0]=4 7677 B17R2.5121 Fc1ccccc1CNc2ccccc2I 207a_100000210053_100000210811 [0,2,0,0,0,0|2,0,0]=4 7678 B17R2.5121 Fc1ccccc1CNc2ccccc2I 34a_100000210053_100000211605 [0,2,0,0,0,0|2,0,0]=4 7679 B17R2.5121 Fc1ccccc1COc2ccccc2Br 34a_100000181306_100000211605 [0,2,0,0,0,0|1,1,0]=4 7680 B17R2.5121 Fc1ccccc1COc2ccccc2Br 7a_100000181306_100000211605 [0,2,0,0,0,0|1,1,0]=4 7681 B17R2.5121 Fc1ccccc1COc2ccccc2Cl 34a_100000210172_100000211605 [0,2,0,0,0,0|1,1,0]=4 7682 B17R2.5121 Fc1ccccc1COc2ccccc2Cl 7a_100000210172_100000211605 [0,2,0,0,0,0|1,1,0]=4 7683 B17R2.5121 Fc1ccccc1COc2ccccc2F 34a_100000210171_100000211605 [0,2,0,0,0,0|1,1,0]=4 7684 B17R2.5121 Fc1ccccc1COc2ccccc2F 7a_100000210171_100000211605 [0,2,0,0,0,0|1,1,0]=4 7685 B17R2.5121 Fc1ccccc1COc2ccccc2I 34a_100000739446_100000211605 [0,2,0,0,0,0|1,1,0]=4 7686 B17R2.5121 Fc1ccccc1COc2ccccc2I 7a_100000739446_100000211605 [0,2,0,0,0,0|1,1,0]=4 7687 B17R2.5121 Fc1ccccc1CSc2c[nH]ccc2=S 62a_100000211605_200012280681 [0,2,0,0,0,0|2,0,0]=4 7688 B17R2.5121 Fc1ccccc1CSc2c[nH]ccc2=S 62a_200012280681_100000211605 [0,2,0,0,0,0|2,0,0]=4 7689 B17R2.5121 Fc1ccccc1CSc2ccccc2Br 62a_100000211605_100000695589 [0,2,0,0,0,0|1,0,0]=3 7690 B17R2.5121 Fc1ccccc1CSc2ccccc2Br 62a_100000695589_100000211605 [0,2,0,0,0,0|1,0,0]=3 7691 B17R2.5121 Fc1ccccc1CSc2ccccc2Cl 62a_100000211605_100000764095 [0,2,0,0,0,0|1,0,0]=3 7692 B17R2.5121 Fc1ccccc1CSc2ccccc2Cl 62a_100000764095_100000211605 [0,2,0,0,0,0|1,0,0]=3 7693 B17R2.5121 Fc1ccccc1CSc2ccccc2F 62a_100000211605_100011215700 [0,2,0,0,0,0|1,0,0]=3 7694 B17R2.5121 Fc1ccccc1CSc2ccccc2F 62a_100011215700_100000211605 [0,2,0,0,0,0|1,0,0]=3 7695 B17R2.5121 Fc1ccccc1CSc2cccnc2Br 62a_100000211605_100010202626 [0,2,0,0,0,0|2,0,0]=4 7696 B17R2.5121 Fc1ccccc1CSc2cccnc2Br 62a_100010202626_100000211605 [0,2,0,0,0,0|2,0,0]=4 7697 B17R2.5121 Fc1ccccc1CSc2cccnc2Cl 62a_100000036424_100000211605 [0,2,0,0,0,0|2,0,0]=4 7698 B17R2.5121 Fc1ccccc1CSc2cccnc2Cl 62a_100000211605_100000036424 [0,2,0,0,0,0|2,0,0]=4 7699 B17R2.5121 Fc1ccccc1CSc2cccnc2F 62a_100000211605_100009816115 [0,2,0,0,0,0|2,0,0]=4 7700 B17R2.5121 Fc1ccccc1CSc2cccnc2F 62a_100009816115_100000211605 [0,2,0,0,0,0|2,0,0]=4 7701 B17R2.5121 Fc1ccccc1CSc2ccncc2Br 62a_100000211605_100000726257 [0,2,0,0,0,0|2,0,0]=4 7702 B17R2.5121 Fc1ccccc1CSc2ccncc2Br 62a_100000726257_100000211605 [0,2,0,0,0,0|2,0,0]=4 7703 B17R2.5121 Fc1ccccc1CSc2ccncc2Cl 62a_100000211605_100000708259 [0,2,0,0,0,0|2,0,0]=4 7704 B17R2.5121 Fc1ccccc1CSc2ccncc2Cl 62a_100000708259_100000211605 [0,2,0,0,0,0|2,0,0]=4 7705 B17R2.5121 Fc1ccccc1CSc2ccncc2F 62a_100000047030_100000211605 [0,2,0,0,0,0|2,0,0]=4 7706 B17R2.5121 Fc1ccccc1CSc2ccncc2F 62a_100000211605_100000047030 [0,2,0,0,0,0|2,0,0]=4 7707 B17R2.5121 Fc1ccccc1CSc2cnccc2Br 62a_100000211605_100010138639 [0,2,0,0,0,0|2,0,0]=4 7708 B17R2.5121 Fc1ccccc1CSc2cnccc2Br 62a_100010138639_100000211605 [0,2,0,0,0,0|2,0,0]=4 7709 B17R2.5121 Fc1ccccc1CSc2cnccc2Cl 62a_100000211605_100009995489 [0,2,0,0,0,0|2,0,0]=4 7710 B17R2.5121 Fc1ccccc1CSc2cnccc2Cl 62a_100009995489_100000211605 [0,2,0,0,0,0|2,0,0]=4 7711 B17R2.5121 Fc1ccccc1CSc2cnccc2F 62a_100000211605_100009820683 [0,2,0,0,0,0|2,0,0]=4 7712 B17R2.5121 Fc1ccccc1CSc2cnccc2F 62a_100009820683_100000211605 [0,2,0,0,0,0|2,0,0]=4 7713 B17R2.5121 Fc1ccccc1CSc2ncccc2Br 62a_100000211605_100000696092 [0,2,0,0,0,0|2,0,0]=4 7714 B17R2.5121 Fc1ccccc1CSc2ncccc2Br 62a_100000696092_100000211605 [0,2,0,0,0,0|2,0,0]=4 7715 B17R2.5121 Fc1ccccc1CSc2ncccc2Cl 62a_100000211605_100011356963 [0,2,0,0,0,0|2,0,0]=4 7716 B17R2.5121 Fc1ccccc1CSc2ncccc2Cl 62a_100011356963_100000211605 [0,2,0,0,0,0|2,0,0]=4 7717 B17R2.5121 Fc1ccccc1CSc2ncccc2F 62a_100000211605_100000685392 [0,2,0,0,0,0|2,0,0]=4 7718 B17R2.5121 Fc1ccccc1CSc2ncccc2F 62a_100000685392_100000211605 [0,2,0,0,0,0|2,0,0]=4 7719 B17R2.5121 Fc1ccccc1NCc2ccccc2Br 207a_100000210422_100000211189 [0,2,0,0,0,0|2,0,0]=4 7720 B17R2.5121 Fc1ccccc1NCc2ccccc2Br 34a_100000210422_100000184730 [0,2,0,0,0,0|2,0,0]=4 7721 B17R2.5121 Fc1ccccc1NCc2ccccc2Cl 207a_100000210422_100000210073 [0,2,0,0,0,0|2,0,0]=4 7722 B17R2.5121 Fc1ccccc1NCc2ccccc2Cl 34a_100000210422_100000187162 [0,2,0,0,0,0|2,0,0]=4 7723 B17R2.5121 Fc1ccccc1NCc2ccccc2I 207a_100000210422_100000010305 [0,2,0,0,0,0|2,0,0]=4 7724 B17R2.5121 Fc1ccccc1NCc2ccccc2I 34a_100000210422_100011215278 [0,2,0,0,0,0|2,0,0]=4 7725 B17R2.5121 Fc1ccccc1OCc2ccccc2Br 34a_100000210171_100000184730 [0,2,0,0,0,0|1,1,0]=4 7726 B17R2.5121 Fc1ccccc1OCc2ccccc2Br 7a_100000210171_100000184730 [0,2,0,0,0,0|1,1,0]=4 7727 B17R2.5121 Fc1ccccc1OCc2ccccc2Cl 34a_100000210171_100000187162 [0,2,0,0,0,0|1,1,0]=4 7728 B17R2.5121 Fc1ccccc1OCc2ccccc2Cl 7a_100000210171_100000187162 [0,2,0,0,0,0|1,1,0]=4 7729 B17R2.5121 Fc1ccccc1OCc2ccccc2I 34a_100000210171_100011215278 [0,2,0,0,0,0|1,1,0]=4 7730 B17R2.5121 Fc1ccccc1OCc2ccccc2I 7a_100000210171_100011215278 [0,2,0,0,0,0|1,1,0]=4 7731 B17R2.5121 Fc1ccccc1SCc2ccccc2Br 62a_100000184730_100011215700 [0,2,0,0,0,0|1,0,0]=3 7732 B17R2.5121 Fc1ccccc1SCc2ccccc2Br 62a_100011215700_100000184730 [0,2,0,0,0,0|1,0,0]=3 7733 B17R2.5121 Fc1ccccc1SCc2ccccc2Cl 62a_100000187162_100011215700 [0,2,0,0,0,0|1,0,0]=3 7734 B17R2.5121 Fc1ccccc1SCc2ccccc2Cl 62a_100011215700_100000187162 [0,2,0,0,0,0|1,0,0]=3 7735 B17R2.5121 Fc1ccccc1SCc2ccccc2I 62a_100011215700_100011216222 [0,2,0,0,0,0|1,0,0]=3 7736 B17R2.5121 Fc1ccccc1SCc2ccccc2I 62a_100011216222_100011215700 [0,2,0,0,0,0|1,0,0]=3 7737 B17R2.5121 Fc1ccccc1SCc2cccnc2Br 62a_100010140945_100011215700 [0,2,0,0,0,0|2,0,0]=4 7738 B17R2.5121 Fc1ccccc1SCc2cccnc2Br 62a_100011215700_100010140945 [0,2,0,0,0,0|2,0,0]=4 7739 B17R2.5121 Fc1ccccc1SCc2cccnc2Cl 62a_100000045678_100011215700 [0,2,0,0,0,0|2,0,0]=4 7740 B17R2.5121 Fc1ccccc1SCc2cccnc2Cl 62a_100011215700_100000045678 [0,2,0,0,0,0|2,0,0]=4 7741 B17R2.5121 Fc1ccccc1SCc2cccnc2F 62a_100000099810_100011215700 [0,2,0,0,0,0|2,0,0]=4 7742 B17R2.5121 Fc1ccccc1SCc2cccnc2F 62a_100011215700_100000099810 [0,2,0,0,0,0|2,0,0]=4 7743 B17R2.5121 Fc1ccccc1SCc2ccncc2Cl 62a_100000763264_100011215700 [0,2,0,0,0,0|2,0,0]=4 7744 B17R2.5121 Fc1ccccc1SCc2ccncc2Cl 62a_100011215700_100000763264 [0,2,0,0,0,0|2,0,0]=4 7745 B17R2.5121 Fc1ccccc1SCc2ncccc2Br 62a_100011215700_100025702911 [0,2,0,0,0,0|2,0,0]=4 7746 B17R2.5121 Fc1ccccc1SCc2ncccc2Br 62a_100025702911_100011215700 [0,2,0,0,0,0|2,0,0]=4 7747 B17R2.5121 Fc1ccccc1SCc2ncccc2Cl 62a_100000099807_100011215700 [0,2,0,0,0,0|2,0,0]=4 7748 B17R2.5121 Fc1ccccc1SCc2ncccc2Cl 62a_100011215700_100000099807 [0,2,0,0,0,0|2,0,0]=4 7749 B17R2.5121 Fc1ccccc1SCc2ncccc2F 62a_100000104219_100011215700 [0,2,0,0,0,0|2,0,0]=4 7750 B17R2.5121 Fc1ccccc1SCc2ncccc2F 62a_100011215700_100000104219 [0,2,0,0,0,0|2,0,0]=4 7751 B17R2.5121 Fc1cccnc1CSc2ccccc2Br 62a_100000104219_100000695589 [0,2,0,0,0,0|2,0,0]=4 7752 B17R2.5121 Fc1cccnc1CSc2ccccc2Br 62a_100000695589_100000104219 [0,2,0,0,0,0|2,0,0]=4 7753 B17R2.5121 Fc1cccnc1CSc2ccccc2Cl 62a_100000104219_100000764095 [0,2,0,0,0,0|2,0,0]=4 7754 B17R2.5121 Fc1cccnc1CSc2ccccc2Cl 62a_100000764095_100000104219 [0,2,0,0,0,0|2,0,0]=4 7755 B17R2.5121 Fc1cccnc1SCc2ccccc2Br 62a_100000184730_100000685392 [0,2,0,0,0,0|2,0,0]=4 7756 B17R2.5121 Fc1cccnc1SCc2ccccc2Br 62a_100000685392_100000184730 [0,2,0,0,0,0|2,0,0]=4 7757 B17R2.5121 Fc1cccnc1SCc2ccccc2Cl 62a_100000187162_100000685392 [0,2,0,0,0,0|2,0,0]=4 7758 B17R2.5121 Fc1cccnc1SCc2ccccc2Cl 62a_100000685392_100000187162 [0,2,0,0,0,0|2,0,0]=4 7759 B17R2.5121 Fc1cccnc1SCc2ccccc2I 62a_100000685392_100011216222 [0,2,0,0,0,0|2,0,0]=4 7760 B17R2.5121 Fc1cccnc1SCc2ccccc2I 62a_100011216222_100000685392 [0,2,0,0,0,0|2,0,0]=4 7761 B17R2.5121 Fc1ccncc1SCc2ccccc2Br 62a_100000184730_100009820683 [0,2,0,0,0,0|2,0,0]=4 7762 B17R2.5121 Fc1ccncc1SCc2ccccc2Br 62a_100009820683_100000184730 [0,2,0,0,0,0|2,0,0]=4 7763 B17R2.5121 Fc1ccncc1SCc2ccccc2Cl 62a_100000187162_100009820683 [0,2,0,0,0,0|2,0,0]=4 7764 B17R2.5121 Fc1ccncc1SCc2ccccc2Cl 62a_100009820683_100000187162 [0,2,0,0,0,0|2,0,0]=4 7765 B17R2.5121 Fc1ccncc1SCc2ccccc2I 62a_100009820683_100011216222 [0,2,0,0,0,0|2,0,0]=4 7766 B17R2.5121 Fc1ccncc1SCc2ccccc2I 62a_100011216222_100009820683 [0,2,0,0,0,0|2,0,0]=4 7767 B17R2.5121 Fc1cnccc1SCc2ccccc2Br 62a_100000047030_100000184730 [0,2,0,0,0,0|2,0,0]=4 7768 B17R2.5121 Fc1cnccc1SCc2ccccc2Br 62a_100000184730_100000047030 [0,2,0,0,0,0|2,0,0]=4 7769 B17R2.5121 Fc1cnccc1SCc2ccccc2Cl 62a_100000047030_100000187162 [0,2,0,0,0,0|2,0,0]=4 7770 B17R2.5121 Fc1cnccc1SCc2ccccc2Cl 62a_100000187162_100000047030 [0,2,0,0,0,0|2,0,0]=4 7771 B17R2.5121 Fc1cnccc1SCc2ccccc2I 62a_100000047030_100011216222 [0,2,0,0,0,0|2,0,0]=4 7772 B17R2.5121 Fc1cnccc1SCc2ccccc2I 62a_100011216222_100000047030 [0,2,0,0,0,0|2,0,0]=4 7773 B17R2.5121 Fc1ncccc1CSc2ccccc2Br 62a_100000099810_100000695589 [0,2,0,0,0,0|2,0,0]=4 7774 B17R2.5121 Fc1ncccc1CSc2ccccc2Br 62a_100000695589_100000099810 [0,2,0,0,0,0|2,0,0]=4 7775 B17R2.5121 Fc1ncccc1CSc2ccccc2Cl 62a_100000099810_100000764095 [0,2,0,0,0,0|2,0,0]=4 7776 B17R2.5121 Fc1ncccc1CSc2ccccc2Cl 62a_100000764095_100000099810 [0,2,0,0,0,0|2,0,0]=4 7777 B17R2.5121 Fc1ncccc1SCc2ccccc2Br 62a_100000184730_100009816115 [0,2,0,0,0,0|2,0,0]=4 7778 B17R2.5121 Fc1ncccc1SCc2ccccc2Br 62a_100009816115_100000184730 [0,2,0,0,0,0|2,0,0]=4 7779 B17R2.5121 Fc1ncccc1SCc2ccccc2Cl 62a_100000187162_100009816115 [0,2,0,0,0,0|2,0,0]=4 7780 B17R2.5121 Fc1ncccc1SCc2ccccc2Cl 62a_100009816115_100000187162 [0,2,0,0,0,0|2,0,0]=4 7781 B17R2.5121 Fc1ncccc1SCc2ccccc2I 62a_100009816115_100011216222 [0,2,0,0,0,0|2,0,0]=4 7782 B17R2.5121 Fc1ncccc1SCc2ccccc2I 62a_100011216222_100009816115 [0,2,0,0,0,0|2,0,0]=4 7783 B17R2.5121 Ic1ccccc1CNc2ccccc2I 207a_100000210053_100000010305 [0,2,0,0,0,0|2,0,0]=4 7784 B17R2.5121 Ic1ccccc1CNc2ccccc2I 34a_100000210053_100011215278 [0,2,0,0,0,0|2,0,0]=4 7785 B17R2.5121 Ic1ccccc1COc2ccccc2I 34a_100000739446_100011215278 [0,2,0,0,0,0|1,1,0]=4 7786 B17R2.5121 Ic1ccccc1COc2ccccc2I 7a_100000739446_100011215278 [0,2,0,0,0,0|1,1,0]=4 7787 B17R2.5121 Nc1ccccc1C=Cc2ccccc2F 271570a_200102527919_100000210017 [0,2,0,0,0,0|2,0,0]=4 7788 B17R2.5121 Nc1ccccc1OCc2ccccc2Br 34a_100000185747_100000184730 [0,2,0,0,0,0|1,1,0]=4 7789 B17R2.5121 Nc1ccccc1OCc2ccccc2Br 7a_100000185747_100000184730 [0,2,0,0,0,0|1,1,0]=4 7790 B17R2.5121 Nc1ccccc1OCc2ccccc2Cl 34a_100000185747_100000187162 [0,2,0,0,0,0|1,1,0]=4 7791 B17R2.5121 Nc1ccccc1OCc2ccccc2Cl 7a_100000185747_100000187162 [0,2,0,0,0,0|1,1,0]=4 7792 B17R2.5121 Nc1ccccc1OCc2ccccc2F 34a_100000185747_100000211605 [0,2,0,0,0,0|1,1,0]=4 7793 B17R2.5121 Nc1ccccc1OCc2ccccc2F 7a_100000185747_100000211605 [0,2,0,0,0,0|1,1,0]=4 7794 B17R2.5121 Nc1ccccc1OCc2ccccc2I 34a_100000185747_100011215278 [0,2,0,0,0,0|1,1,0]=4 7795 B17R2.5121 Nc1ccccc1OCc2ccccc2I 7a_100000185747_100011215278 [0,2,0,0,0,0|1,1,0]=4 7796 B17R2.5121 Nc1ccccc1SCc2ccccc2Br 62a_100000184730_100000210017 [0,2,0,0,0,0|1,0,0]=3 7797 B17R2.5121 Nc1ccccc1SCc2ccccc2Br 62a_100000210017_100000184730 [0,2,0,0,0,0|1,0,0]=3 7798 B17R2.5121 Nc1ccccc1SCc2ccccc2Cl 62a_100000187162_100000210017 [0,2,0,0,0,0|1,0,0]=3 7799 B17R2.5121 Nc1ccccc1SCc2ccccc2Cl 62a_100000210017_100000187162 [0,2,0,0,0,0|1,0,0]=3 7800 B17R2.5121 Nc1ccccc1SCc2ccccc2F 62a_100000210017_100000211605 [0,2,0,0,0,0|1,0,0]=3 7801 B17R2.5121 Nc1ccccc1SCc2ccccc2F 62a_100000211605_100000210017 [0,2,0,0,0,0|1,0,0]=3 7802 B17R2.5121 Nc1ccccc1SCc2ccccc2I 62a_100000210017_100011216222 [0,2,0,0,0,0|1,0,0]=3 7803 B17R2.5121 Nc1ccccc1SCc2ccccc2I 62a_100011216222_100000210017 [0,2,0,0,0,0|1,0,0]=3 7804 B17R2.5121 Nc1ccccc1SCc2cccnc2Br 62a_100000210017_100010140945 [0,2,0,0,0,0|2,0,0]=4 7805 B17R2.5121 Nc1ccccc1SCc2cccnc2Br 62a_100010140945_100000210017 [0,2,0,0,0,0|2,0,0]=4 7806 B17R2.5121 Nc1ccccc1SCc2cccnc2Cl 62a_100000045678_100000210017 [0,2,0,0,0,0|2,0,0]=4 7807 B17R2.5121 Nc1ccccc1SCc2cccnc2Cl 62a_100000210017_100000045678 [0,2,0,0,0,0|2,0,0]=4 7808 B17R2.5121 Nc1ccccc1SCc2cccnc2F 62a_100000099810_100000210017 [0,2,0,0,0,0|2,0,0]=4 7809 B17R2.5121 Nc1ccccc1SCc2cccnc2F 62a_100000210017_100000099810 [0,2,0,0,0,0|2,0,0]=4 7810 B17R2.5121 Nc1ccccc1SCc2ccncc2Cl 62a_100000210017_100000763264 [0,2,0,0,0,0|2,0,0]=4 7811 B17R2.5121 Nc1ccccc1SCc2ccncc2Cl 62a_100000763264_100000210017 [0,2,0,0,0,0|2,0,0]=4 7812 B17R2.5121 Nc1ccccc1SCc2ncccc2Br 62a_100000210017_100025702911 [0,2,0,0,0,0|2,0,0]=4 7813 B17R2.5121 Nc1ccccc1SCc2ncccc2Br 62a_100025702911_100000210017 [0,2,0,0,0,0|2,0,0]=4 7814 B17R2.5121 Nc1ccccc1SCc2ncccc2Cl 62a_100000099807_100000210017 [0,2,0,0,0,0|2,0,0]=4 7815 B17R2.5121 Nc1ccccc1SCc2ncccc2Cl 62a_100000210017_100000099807 [0,2,0,0,0,0|2,0,0]=4 7816 B17R2.5121 Nc1ccccc1SCc2ncccc2F 62a_100000104219_100000210017 [0,2,0,0,0,0|2,0,0]=4 7817 B17R2.5121 Nc1ccccc1SCc2ncccc2F 62a_100000210017_100000104219 [0,2,0,0,0,0|2,0,0]=4 7818 B17R2.5121 Nc1ccccc1SCc2ncccc2O 62a_100000210017_200020655725 [0,2,0,0,0,0|2,0,0]=4 7819 B17R2.5121 Nc1ccccc1SCc2ncccc2O 62a_200020655725_100000210017 [0,2,0,0,0,0|2,0,0]=4 7820 B17R2.5121 Nc1cccnc1SCc2ccccc2Br 62a_100000184730_100000688686 [0,2,0,0,0,0|2,0,0]=4 7821 B17R2.5121 Nc1cccnc1SCc2ccccc2Br 62a_100000688686_100000184730 [0,2,0,0,0,0|2,0,0]=4 7822 B17R2.5121 Nc1cccnc1SCc2ccccc2Cl 62a_100000187162_100000688686 [0,2,0,0,0,0|2,0,0]=4 7823 B17R2.5121 Nc1cccnc1SCc2ccccc2Cl 62a_100000688686_100000187162 [0,2,0,0,0,0|2,0,0]=4 7824 B17R2.5121 Nc1cccnc1SCc2ccccc2F 62a_100000211605_100000688686 [0,2,0,0,0,0|2,0,0]=4 7825 B17R2.5121 Nc1cccnc1SCc2ccccc2F 62a_100000688686_100000211605 [0,2,0,0,0,0|2,0,0]=4 7826 B17R2.5121 Nc1cccnc1SCc2ccccc2I 62a_100000688686_100011216222 [0,2,0,0,0,0|2,0,0]=4 7827 B17R2.5121 Nc1cccnc1SCc2ccccc2I 62a_100011216222_100000688686 [0,2,0,0,0,0|2,0,0]=4 7828 B17R2.5121 Nc1ccncc1SCc2ccccc2Br 62a_100000047001_100000184730 [0,2,0,0,0,0|2,0,0]=4 7829 B17R2.5121 Nc1ccncc1SCc2ccccc2Br 62a_100000184730_100000047001 [0,2,0,0,0,0|2,0,0]=4 7830 B17R2.5121 Nc1ccncc1SCc2ccccc2Cl 62a_100000047001_100000187162 [0,2,0,0,0,0|2,0,0]=4 7831 B17R2.5121 Nc1ccncc1SCc2ccccc2Cl 62a_100000187162_100000047001 [0,2,0,0,0,0|2,0,0]=4 7832 B17R2.5121 Nc1ccncc1SCc2ccccc2F 62a_100000047001_100000211605 [0,2,0,0,0,0|2,0,0]=4 7833 B17R2.5121 Nc1ccncc1SCc2ccccc2F 62a_100000211605_100000047001 [0,2,0,0,0,0|2,0,0]=4 7834 B17R2.5121 Nc1ccncc1SCc2ccccc2I 62a_100000047001_100011216222 [0,2,0,0,0,0|2,0,0]=4 7835 B17R2.5121 Nc1ccncc1SCc2ccccc2I 62a_100011216222_100000047001 [0,2,0,0,0,0|2,0,0]=4 7836 B17R2.5121 Nc1cnccc1SCc2ccccc2Br 62a_100000184730_100000756074 [0,2,0,0,0,0|2,0,0]=4 7837 B17R2.5121 Nc1cnccc1SCc2ccccc2Br 62a_100000756074_100000184730 [0,2,0,0,0,0|2,0,0]=4 7838 B17R2.5121 Nc1cnccc1SCc2ccccc2Cl 62a_100000187162_100000756074 [0,2,0,0,0,0|2,0,0]=4 7839 B17R2.5121 Nc1cnccc1SCc2ccccc2Cl 62a_100000756074_100000187162 [0,2,0,0,0,0|2,0,0]=4 7840 B17R2.5121 Nc1cnccc1SCc2ccccc2F 62a_100000211605_100000756074 [0,2,0,0,0,0|2,0,0]=4 7841 B17R2.5121 Nc1cnccc1SCc2ccccc2F 62a_100000756074_100000211605 [0,2,0,0,0,0|2,0,0]=4 7842 B17R2.5121 Nc1cnccc1SCc2ccccc2I 62a_100000756074_100011216222 [0,2,0,0,0,0|2,0,0]=4 7843 B17R2.5121 Nc1cnccc1SCc2ccccc2I 62a_100011216222_100000756074 [0,2,0,0,0,0|2,0,0]=4 7844 B17R2.5121 Nc1ncccc1SCc2ccccc2Br 62a_100000045569_100000184730 [0,2,0,0,0,0|2,0,0]=4 7845 B17R2.5121 Nc1ncccc1SCc2ccccc2Br 62a_100000184730_100000045569 [0,2,0,0,0,0|2,0,0]=4 7846 B17R2.5121 Nc1ncccc1SCc2ccccc2Cl 62a_100000045569_100000187162 [0,2,0,0,0,0|2,0,0]=4 7847 B17R2.5121 Nc1ncccc1SCc2ccccc2Cl 62a_100000187162_100000045569 [0,2,0,0,0,0|2,0,0]=4 7848 B17R2.5121 Nc1ncccc1SCc2ccccc2F 62a_100000045569_100000211605 [0,2,0,0,0,0|2,0,0]=4 7849 B17R2.5121 Nc1ncccc1SCc2ccccc2F 62a_100000211605_100000045569 [0,2,0,0,0,0|2,0,0]=4 7850 B17R2.5121 Nc1ncccc1SCc2ccccc2I 62a_100000045569_100011216222 [0,2,0,0,0,0|2,0,0]=4 7851 B17R2.5121 Nc1ncccc1SCc2ccccc2I 62a_100011216222_100000045569 [0,2,0,0,0,0|2,0,0]=4 7852 B17R2.5121 O=c1cc[nH]cc1SCc2ccccc2Br 62a_100000184730_100009998708 [0,2,0,0,0,0|2,0,0]=4 7853 B17R2.5121 O=c1cc[nH]cc1SCc2ccccc2Br 62a_100009998708_100000184730 [0,2,0,0,0,0|2,0,0]=4 7854 B17R2.5121 O=c1cc[nH]cc1SCc2ccccc2Cl 62a_100000187162_100009998708 [0,2,0,0,0,0|2,0,0]=4 7855 B17R2.5121 O=c1cc[nH]cc1SCc2ccccc2Cl 62a_100009998708_100000187162 [0,2,0,0,0,0|2,0,0]=4 7856 B17R2.5121 O=c1cc[nH]cc1SCc2ccccc2F 62a_100000211605_100009998708 [0,2,0,0,0,0|2,0,0]=4 7857 B17R2.5121 O=c1cc[nH]cc1SCc2ccccc2F 62a_100009998708_100000211605 [0,2,0,0,0,0|2,0,0]=4 7858 B17R2.5121 O=c1cc[nH]cc1SCc2ccccc2I 62a_100009998708_100011216222 [0,2,0,0,0,0|2,0,0]=4 7859 B17R2.5121 O=c1cc[nH]cc1SCc2ccccc2I 62a_100011216222_100009998708 [0,2,0,0,0,0|2,0,0]=4 7860 B17R2.5121 Oc1ccccc1C=Cc2ccccc2F 271570a_200102527919_100000739446 [0,2,0,0,0,0|2,0,0]=4 7861 B17R2.5121 Oc1ccccc1NCc2ccccc2Br 34a_100000185747_100000184730 [0,2,0,0,0,0|2,0,0]=4 7862 B17R2.5121 Oc1ccccc1NCc2ccccc2Cl 34a_100000185747_100000187162 [0,2,0,0,0,0|2,0,0]=4 7863 B17R2.5121 Oc1ccccc1NCc2ccccc2F 34a_100000185747_100000211605 [0,2,0,0,0,0|2,0,0]=4 7864 B17R2.5121 Oc1ccccc1NCc2ccccc2I 34a_100000185747_100011215278 [0,2,0,0,0,0|2,0,0]=4 7865 B17R2.5121 Oc1ccccc1SCc2ccccc2Br 62a_100000184730_100000739446 [0,2,0,0,0,0|1,0,0]=3 7866 B17R2.5121 Oc1ccccc1SCc2ccccc2Br 62a_100000739446_100000184730 [0,2,0,0,0,0|1,0,0]=3 7867 B17R2.5121 Oc1ccccc1SCc2ccccc2Cl 62a_100000187162_100000739446 [0,2,0,0,0,0|1,0,0]=3 7868 B17R2.5121 Oc1ccccc1SCc2ccccc2Cl 62a_100000739446_100000187162 [0,2,0,0,0,0|1,0,0]=3 7869 B17R2.5121 Oc1ccccc1SCc2ccccc2F 62a_100000211605_100000739446 [0,2,0,0,0,0|1,0,0]=3 7870 B17R2.5121 Oc1ccccc1SCc2ccccc2F 62a_100000739446_100000211605 [0,2,0,0,0,0|1,0,0]=3 7871 B17R2.5121 Oc1ccccc1SCc2ccccc2I 62a_100000739446_100011216222 [0,2,0,0,0,0|1,0,0]=3 7872 B17R2.5121 Oc1ccccc1SCc2ccccc2I 62a_100011216222_100000739446 [0,2,0,0,0,0|1,0,0]=3 7873 B17R2.5121 Oc1ccccc1SCc2cccnc2Br 62a_100000739446_100010140945 [0,2,0,0,0,0|2,0,0]=4 7874 B17R2.5121 Oc1ccccc1SCc2cccnc2Br 62a_100010140945_100000739446 [0,2,0,0,0,0|2,0,0]=4 7875 B17R2.5121 Oc1ccccc1SCc2cccnc2Cl 62a_100000045678_100000739446 [0,2,0,0,0,0|2,0,0]=4 7876 B17R2.5121 Oc1ccccc1SCc2cccnc2Cl 62a_100000739446_100000045678 [0,2,0,0,0,0|2,0,0]=4 7877 B17R2.5121 Oc1ccccc1SCc2cccnc2F 62a_100000099810_100000739446 [0,2,0,0,0,0|2,0,0]=4 7878 B17R2.5121 Oc1ccccc1SCc2cccnc2F 62a_100000739446_100000099810 [0,2,0,0,0,0|2,0,0]=4 7879 B17R2.5121 Oc1ccccc1SCc2ccncc2Cl 62a_100000739446_100000763264 [0,2,0,0,0,0|2,0,0]=4 7880 B17R2.5121 Oc1ccccc1SCc2ccncc2Cl 62a_100000763264_100000739446 [0,2,0,0,0,0|2,0,0]=4 7881 B17R2.5121 Oc1ccccc1SCc2ncccc2Br 62a_100000739446_100025702911 [0,2,0,0,0,0|2,0,0]=4 7882 B17R2.5121 Oc1ccccc1SCc2ncccc2Br 62a_100025702911_100000739446 [0,2,0,0,0,0|2,0,0]=4 7883 B17R2.5121 Oc1ccccc1SCc2ncccc2Cl 62a_100000099807_100000739446 [0,2,0,0,0,0|2,0,0]=4 7884 B17R2.5121 Oc1ccccc1SCc2ncccc2Cl 62a_100000739446_100000099807 [0,2,0,0,0,0|2,0,0]=4 7885 B17R2.5121 Oc1ccccc1SCc2ncccc2F 62a_100000104219_100000739446 [0,2,0,0,0,0|2,0,0]=4 7886 B17R2.5121 Oc1ccccc1SCc2ncccc2F 62a_100000739446_100000104219 [0,2,0,0,0,0|2,0,0]=4 7887 B17R2.5121 Oc1ccccc1SCc2ncccc2O 62a_100000739446_200020655725 [0,2,0,0,0,0|2,0,0]=4 7888 B17R2.5121 Oc1ccccc1SCc2ncccc2O 62a_200020655725_100000739446 [0,2,0,0,0,0|2,0,0]=4 7889 B17R2.5121 Oc1cccnc1CSc2ccccc2Br 62a_100000695589_200020655725 [0,2,0,0,0,0|2,0,0]=4 7890 B17R2.5121 Oc1cccnc1CSc2ccccc2Br 62a_200020655725_100000695589 [0,2,0,0,0,0|2,0,0]=4 7891 B17R2.5121 Oc1cccnc1CSc2ccccc2Cl 62a_100000764095_200020655725 [0,2,0,0,0,0|2,0,0]=4 7892 B17R2.5121 Oc1cccnc1CSc2ccccc2Cl 62a_200020655725_100000764095 [0,2,0,0,0,0|2,0,0]=4 7893 B17R2.5121 Oc1cccnc1CSc2ccccc2F 62a_100011215700_200020655725 [0,2,0,0,0,0|2,0,0]=4 7894 B17R2.5121 Oc1cccnc1CSc2ccccc2F 62a_200020655725_100011215700 [0,2,0,0,0,0|2,0,0]=4 7895 B17R2.5121 Oc1cccnc1SCc2ccccc2Br 62a_100000034122_100000184730 [0,2,0,0,0,0|2,0,0]=4 7896 B17R2.5121 Oc1cccnc1SCc2ccccc2Br 62a_100000184730_100000034122 [0,2,0,0,0,0|2,0,0]=4 7897 B17R2.5121 Oc1cccnc1SCc2ccccc2Cl 62a_100000034122_100000187162 [0,2,0,0,0,0|2,0,0]=4 7898 B17R2.5121 Oc1cccnc1SCc2ccccc2Cl 62a_100000187162_100000034122 [0,2,0,0,0,0|2,0,0]=4 7899 B17R2.5121 Oc1cccnc1SCc2ccccc2F 62a_100000034122_100000211605 [0,2,0,0,0,0|2,0,0]=4 7900 B17R2.5121 Oc1cccnc1SCc2ccccc2F 62a_100000211605_100000034122 [0,2,0,0,0,0|2,0,0]=4 7901 B17R2.5121 Oc1cccnc1SCc2ccccc2I 62a_100000034122_100011216222 [0,2,0,0,0,0|2,0,0]=4 7902 B17R2.5121 Oc1cccnc1SCc2ccccc2I 62a_100011216222_100000034122 [0,2,0,0,0,0|2,0,0]=4 7903 B17R2.5121 Oc1cnccc1SCc2ccccc2Br 62a_100000184730_100009817591 [0,2,0,0,0,0|2,0,0]=4 7904 B17R2.5121 Oc1cnccc1SCc2ccccc2Br 62a_100009817591_100000184730 [0,2,0,0,0,0|2,0,0]=4 7905 B17R2.5121 Oc1cnccc1SCc2ccccc2Cl 62a_100000187162_100009817591 [0,2,0,0,0,0|2,0,0]=4 7906 B17R2.5121 Oc1cnccc1SCc2ccccc2Cl 62a_100009817591_100000187162 [0,2,0,0,0,0|2,0,0]=4 7907 B17R2.5121 Oc1cnccc1SCc2ccccc2F 62a_100000211605_100009817591 [0,2,0,0,0,0|2,0,0]=4 7908 B17R2.5121 Oc1cnccc1SCc2ccccc2F 62a_100009817591_100000211605 [0,2,0,0,0,0|2,0,0]=4 7909 B17R2.5121 Oc1cnccc1SCc2ccccc2I 62a_100009817591_100011216222 [0,2,0,0,0,0|2,0,0]=4 7910 B17R2.5121 Oc1cnccc1SCc2ccccc2I 62a_100011216222_100009817591 [0,2,0,0,0,0|2,0,0]=4 7911 B17R2.5121 Oc1ncccc1SCc2ccccc2Br 62a_100000184730_100000760158 [0,2,0,0,0,0|2,0,0]=4 7912 B17R2.5121 Oc1ncccc1SCc2ccccc2Br 62a_100000760158_100000184730 [0,2,0,0,0,0|2,0,0]=4 7913 B17R2.5121 Oc1ncccc1SCc2ccccc2Cl 62a_100000187162_100000760158 [0,2,0,0,0,0|2,0,0]=4 7914 B17R2.5121 Oc1ncccc1SCc2ccccc2Cl 62a_100000760158_100000187162 [0,2,0,0,0,0|2,0,0]=4 7915 B17R2.5121 Oc1ncccc1SCc2ccccc2F 62a_100000211605_100000760158 [0,2,0,0,0,0|2,0,0]=4 7916 B17R2.5121 Oc1ncccc1SCc2ccccc2F 62a_100000760158_100000211605 [0,2,0,0,0,0|2,0,0]=4 7917 B17R2.5121 Oc1ncccc1SCc2ccccc2I 62a_100000760158_100011216222 [0,2,0,0,0,0|2,0,0]=4 7918 B17R2.5121 Oc1ncccc1SCc2ccccc2I 62a_100011216222_100000760158 [0,2,0,0,0,0|2,0,0]=4 7919 B17R2.5121 S=c1cc[nH]cc1SCc2ccccc2Br 62a_100000184730_200012280681 [0,2,0,0,0,0|2,0,0]=4 7920 B17R2.5121 S=c1cc[nH]cc1SCc2ccccc2Br 62a_200012280681_100000184730 [0,2,0,0,0,0|2,0,0]=4 7921 B17R2.5121 S=c1cc[nH]cc1SCc2ccccc2Cl 62a_100000187162_200012280681 [0,2,0,0,0,0|2,0,0]=4 7922 B17R2.5121 S=c1cc[nH]cc1SCc2ccccc2Cl 62a_200012280681_100000187162 [0,2,0,0,0,0|2,0,0]=4 7923 B17R2.5121 S=c1cc[nH]cc1SCc2ccccc2I 62a_100011216222_200012280681 [0,2,0,0,0,0|2,0,0]=4 7924 B17R2.5121 S=c1cc[nH]cc1SCc2ccccc2I 62a_200012280681_100011216222 [0,2,0,0,0,0|2,0,0]=4 7925 B17R2.5121 [O-][n+]1ccccc1SCc2ccccc2Br 62a_100000184730_200000042595 [0,2,0,0,0,0|2,0,0]=4 7926 B17R2.5121 [O-][n+]1ccccc1SCc2ccccc2Cl 62a_100000187162_200000042595 [0,2,0,0,0,0|2,0,0]=4 7927 B17R2.5121 [O-][n+]1ccccc1SCc2ccccc2F 62a_100000211605_200000042595 [0,2,0,0,0,0|2,0,0]=4 7928 B17R2.5121 [O-][n+]1ccccc1SCc2ccccc2I 62a_100011216222_200000042595 [0,2,0,0,0,0|2,0,0]=4 7929 B17R2.5274 Brc1c(cccc1CNc2ccccc2)I 34a_100000106764_100010254545 [0,2,0,0,0,0|2,0,0]=4 7930 B17R2.5274 Brc1c(cccc1COc2ccccc2)I 34a_100000210340_100010254545 [0,2,0,0,0,0|1,1,0]=4 7931 B17R2.5274 Brc1c(cccc1COc2ccccc2)I 7a_100000210340_100010254545 [0,2,0,0,0,0|1,1,0]=4 7932 B17R2.5274 Brc1c(cccc1CSc2ccccc2)I 62a_100000719477_100010254545 [0,2,0,0,0,0|1,0,0]=3 7933 B17R2.5274 Brc1c(cccc1CSc2ccccc2)I 62a_100010254545_100000041952 [0,2,0,0,0,0|1,0,0]=3 7934 B17R2.5274 Brc1c(cccc1CSc2ccccn2)I 62a_100010254545_100011216584 [0,2,0,0,0,0|2,0,0]=4 7935 B17R2.5274 Brc1c(cccc1CSc2ccccn2)I 62a_100011216584_100010254545 [0,2,0,0,0,0|2,0,0]=4 7936 B17R2.5274 Brc1c(cccc1CSc2cccnc2)I 62a_100000210063_100010254545 [0,2,0,0,0,0|2,0,0]=4 7937 B17R2.5274 Brc1c(cccc1CSc2cccnc2)I 62a_100010254545_100000210063 [0,2,0,0,0,0|2,0,0]=4 7938 B17R2.5274 Brc1c(cccc1CSc2ccncc2)I 62a_100000728582_100010254545 [0,2,0,0,0,0|2,0,0]=4 7939 B17R2.5274 Brc1c(cccc1CSc2ccncc2)I 62a_100010254545_100000728582 [0,2,0,0,0,0|2,0,0]=4 7940 B17R2.5274 Brc1c(cccc1OCc2ccccc2)I 34a_100010187914_100015291786 [0,2,0,0,0,0|1,1,0]=4 7941 B17R2.5274 Brc1c(cccc1OCc2ccccc2)I 7a_100010187914_100000211182 [0,2,0,0,0,0|1,1,0]=4 7942 B17R2.5274 Brc1cccc(c1Br)CNc2ccccc2 207a_100000106764_100010240334 [0,2,0,0,0,0|2,0,0]=4 7943 B17R2.5274 Brc1cccc(c1Br)CNc2ccccc2 270302a_100000106764_100010240334 [0,2,0,0,0,0|2,0,0]=4 7944 B17R2.5274 Brc1cccc(c1Br)OCc2ccccc2 34a_100010187966_100015291786 [0,2,0,0,0,0|1,1,0]=4 7945 B17R2.5274 Brc1cccc(c1Br)OCc2ccccc2 7a_100010187966_100000211182 [0,2,0,0,0,0|1,1,0]=4 7946 B17R2.5274 Brc1cccc(c1Br)SCc2ccccc2 62a_100000211182_100010175083 [0,2,0,0,0,0|1,0,0]=3 7947 B17R2.5274 Brc1cccc(c1Br)SCc2ccccc2 62a_100010175083_100015291786 [0,2,0,0,0,0|1,0,0]=3 7948 B17R2.5274 Brc1cccc(c1Br)SCc2ccccn2 62a_100000721315_100010175083 [0,2,0,0,0,0|2,0,0]=4 7949 B17R2.5274 Brc1cccc(c1Br)SCc2ccccn2 62a_100010175083_100000721315 [0,2,0,0,0,0|2,0,0]=4 7950 B17R2.5274 Brc1cccc(c1Br)SCc2cccnc2 62a_100000741622_100010175083 [0,2,0,0,0,0|2,0,0]=4 7951 B17R2.5274 Brc1cccc(c1Br)SCc2cccnc2 62a_100010175083_100000741622 [0,2,0,0,0,0|2,0,0]=4 7952 B17R2.5274 Brc1cccc(c1Br)SCc2ccncc2 62a_100010175083_100015193705 [0,2,0,0,0,0|2,0,0]=4 7953 B17R2.5274 Brc1cccc(c1Br)SCc2ccncc2 62a_100015193705_100010175083 [0,2,0,0,0,0|2,0,0]=4 7954 B17R2.5274 Brc1cccc(c1I)NCc2ccccc2 34a_100020590159_100015291786 [0,2,0,0,0,0|2,0,0]=4 7955 B17R2.5274 Brc1cccc(c1I)OCc2ccccc2 34a_100010187912_100015291786 [0,2,0,0,0,0|1,1,0]=4 7956 B17R2.5274 Brc1cccc(c1I)OCc2ccccc2 7a_100010187912_100000211182 [0,2,0,0,0,0|1,1,0]=4 7957 B17R2.5274 Cc1c(cccc1C#Cc2ccccc2)Br 271570a_100000069678_100012353703 [0,2,0,0,0,0|2,0,0]=4 7958 B17R2.5274 Cc1c(cccc1C#Cc2ccccc2)Cl 271570a_100000069678_100000726075 [0,2,0,0,0,0|2,0,0]=4 7959 B17R2.5274 Cc1c(cccc1C#Cc2ccccc2)F 271570a_100000069678_100011216893 [0,2,0,0,0,0|2,0,0]=4 7960 B17R2.5274 Cc1c(cccc1C#Cc2ccccc2)N 271570a_100000069678_100000761887 [0,2,0,0,0,0|2,0,0]=4 7961 B17R2.5274 Cc1c(cccc1C#Cc2ccccc2)O 271570a_100000069678_100012002258 [0,2,0,0,0,0|2,0,0]=4 7962 B17R2.5274 Cc1c(cccc1C=Cc2ccccc2)Br 271570a_100102527694_100012353703 [0,2,0,0,0,0|2,0,0]=4 7963 B17R2.5274 Cc1c(cccc1C=Cc2ccccc2)Cl 271570a_100102527694_100000726075 [0,2,0,0,0,0|2,0,0]=4 7964 B17R2.5274 Cc1c(cccc1C=Cc2ccccc2)F 271570a_100102527694_100011216893 [0,2,0,0,0,0|2,0,0]=4 7965 B17R2.5274 Cc1c(cccc1C=Cc2ccccc2)N 271570a_100102527694_100000761887 [0,2,0,0,0,0|2,0,0]=4 7966 B17R2.5274 Cc1c(cccc1C=Cc2ccccc2)O 271570a_100102527694_100012002258 [0,2,0,0,0,0|2,0,0]=4 7967 B17R2.5274 Cc1c(cccc1CNc2ccccc2)Br 207a_100000106764_100012179384 [0,2,0,0,0,0|2,0,0]=4 7968 B17R2.5274 Cc1c(cccc1CNc2ccccc2)Br 270302a_100000106764_100012179384 [0,2,0,0,0,0|2,0,0]=4 7969 B17R2.5274 Cc1c(cccc1CNc2ccccc2)Br 34a_100000106764_100000694682 [0,2,0,0,0,0|2,0,0]=4 7970 B17R2.5274 Cc1c(cccc1CNc2ccccc2)Cl 207a_100000106764_100012002129 [0,2,0,0,0,0|2,0,0]=4 7971 B17R2.5274 Cc1c(cccc1CNc2ccccc2)Cl 270302a_100000106764_100012002129 [0,2,0,0,0,0|2,0,0]=4 7972 B17R2.5274 Cc1c(cccc1CNc2ccccc2)Cl 34a_100000106764_100012186920 [0,2,0,0,0,0|2,0,0]=4 7973 B17R2.5274 Cc1c(cccc1CNc2ccccc2)F 207a_100000106764_100000037668 [0,2,0,0,0,0|2,0,0]=4 7974 B17R2.5274 Cc1c(cccc1CNc2ccccc2)F 270302a_100000106764_100000037668 [0,2,0,0,0,0|2,0,0]=4 7975 B17R2.5274 Cc1c(cccc1CNc2ccccc2)F 34a_100000106764_100009813626 [0,2,0,0,0,0|2,0,0]=4 7976 B17R2.5274 Cc1c(cccc1CNc2ccccc2)I 34a_100000106764_100010150147 [0,2,0,0,0,0|2,0,0]=4 7977 B17R2.5274 Cc1c(cccc1COc2ccccc2)Br 34a_100000210340_100000694682 [0,2,0,0,0,0|1,1,0]=4 7978 B17R2.5274 Cc1c(cccc1COc2ccccc2)Br 7a_100000210340_100000694682 [0,2,0,0,0,0|1,1,0]=4 7979 B17R2.5274 Cc1c(cccc1COc2ccccc2)Cl 34a_100000210340_100012186920 [0,2,0,0,0,0|1,1,0]=4 7980 B17R2.5274 Cc1c(cccc1COc2ccccc2)Cl 7a_100000210340_100012186920 [0,2,0,0,0,0|1,1,0]=4 7981 B17R2.5274 Cc1c(cccc1COc2ccccc2)F 34a_100000210340_100009813626 [0,2,0,0,0,0|1,1,0]=4 7982 B17R2.5274 Cc1c(cccc1COc2ccccc2)F 7a_100000210340_100009813626 [0,2,0,0,0,0|1,1,0]=4 7983 B17R2.5274 Cc1c(cccc1COc2ccccc2)I 34a_100000210340_100010150147 [0,2,0,0,0,0|1,1,0]=4 7984 B17R2.5274 Cc1c(cccc1COc2ccccc2)I 7a_100000210340_100010150147 [0,2,0,0,0,0|1,1,0]=4 7985 B17R2.5274 Cc1c(cccc1CSc2ccccc2)Br 62a_100000694682_100000041952 [0,2,0,0,0,0|1,0,0]=3 7986 B17R2.5274 Cc1c(cccc1CSc2ccccc2)Br 62a_100000719477_100000694682 [0,2,0,0,0,0|1,0,0]=3 7987 B17R2.5274 Cc1c(cccc1CSc2ccccc2)Cl 62a_100000719477_100012186920 [0,2,0,0,0,0|1,0,0]=3 7988 B17R2.5274 Cc1c(cccc1CSc2ccccc2)Cl 62a_100012186920_100000041952 [0,2,0,0,0,0|1,0,0]=3 7989 B17R2.5274 Cc1c(cccc1CSc2ccccc2)F 62a_100000719477_100009813626 [0,2,0,0,0,0|1,0,0]=3 7990 B17R2.5274 Cc1c(cccc1CSc2ccccc2)F 62a_100009813626_100000041952 [0,2,0,0,0,0|1,0,0]=3 7991 B17R2.5274 Cc1c(cccc1CSc2ccccc2)I 62a_100000719477_100010150147 [0,2,0,0,0,0|1,0,0]=3 7992 B17R2.5274 Cc1c(cccc1CSc2ccccc2)I 62a_100010150147_100000041952 [0,2,0,0,0,0|1,0,0]=3 7993 B17R2.5274 Cc1c(cccc1CSc2ccccn2)Br 62a_100000694682_100011216584 [0,2,0,0,0,0|2,0,0]=4 7994 B17R2.5274 Cc1c(cccc1CSc2ccccn2)Br 62a_100011216584_100000694682 [0,2,0,0,0,0|2,0,0]=4 7995 B17R2.5274 Cc1c(cccc1CSc2ccccn2)Cl 62a_100011216584_100012186920 [0,2,0,0,0,0|2,0,0]=4 7996 B17R2.5274 Cc1c(cccc1CSc2ccccn2)Cl 62a_100012186920_100011216584 [0,2,0,0,0,0|2,0,0]=4 7997 B17R2.5274 Cc1c(cccc1CSc2ccccn2)F 62a_100009813626_100011216584 [0,2,0,0,0,0|2,0,0]=4 7998 B17R2.5274 Cc1c(cccc1CSc2ccccn2)F 62a_100011216584_100009813626 [0,2,0,0,0,0|2,0,0]=4 7999 B17R2.5274 Cc1c(cccc1CSc2ccccn2)I 62a_100010150147_100011216584 [0,2,0,0,0,0|2,0,0]=4 8000 B17R2.5274 Cc1c(cccc1CSc2ccccn2)I 62a_100011216584_100010150147 [0,2,0,0,0,0|2,0,0]=4 8001 B17R2.5274 Cc1c(cccc1CSc2cccnc2)Br 62a_100000210063_100000694682 [0,2,0,0,0,0|2,0,0]=4 8002 B17R2.5274 Cc1c(cccc1CSc2cccnc2)Br 62a_100000694682_100000210063 [0,2,0,0,0,0|2,0,0]=4 8003 B17R2.5274 Cc1c(cccc1CSc2cccnc2)Cl 62a_100000210063_100012186920 [0,2,0,0,0,0|2,0,0]=4 8004 B17R2.5274 Cc1c(cccc1CSc2cccnc2)Cl 62a_100012186920_100000210063 [0,2,0,0,0,0|2,0,0]=4 8005 B17R2.5274 Cc1c(cccc1CSc2cccnc2)F 62a_100000210063_100009813626 [0,2,0,0,0,0|2,0,0]=4 8006 B17R2.5274 Cc1c(cccc1CSc2cccnc2)F 62a_100009813626_100000210063 [0,2,0,0,0,0|2,0,0]=4 8007 B17R2.5274 Cc1c(cccc1CSc2cccnc2)I 62a_100000210063_100010150147 [0,2,0,0,0,0|2,0,0]=4 8008 B17R2.5274 Cc1c(cccc1CSc2cccnc2)I 62a_100010150147_100000210063 [0,2,0,0,0,0|2,0,0]=4 8009 B17R2.5274 Cc1c(cccc1CSc2ccncc2)Br 62a_100000694682_100000728582 [0,2,0,0,0,0|2,0,0]=4 8010 B17R2.5274 Cc1c(cccc1CSc2ccncc2)Br 62a_100000728582_100000694682 [0,2,0,0,0,0|2,0,0]=4 8011 B17R2.5274 Cc1c(cccc1CSc2ccncc2)Cl 62a_100000728582_100012186920 [0,2,0,0,0,0|2,0,0]=4 8012 B17R2.5274 Cc1c(cccc1CSc2ccncc2)Cl 62a_100012186920_100000728582 [0,2,0,0,0,0|2,0,0]=4 8013 B17R2.5274 Cc1c(cccc1CSc2ccncc2)F 62a_100000728582_100009813626 [0,2,0,0,0,0|2,0,0]=4 8014 B17R2.5274 Cc1c(cccc1CSc2ccncc2)F 62a_100009813626_100000728582 [0,2,0,0,0,0|2,0,0]=4 8015 B17R2.5274 Cc1c(cccc1CSc2ccncc2)I 62a_100000728582_100010150147 [0,2,0,0,0,0|2,0,0]=4 8016 B17R2.5274 Cc1c(cccc1CSc2ccncc2)I 62a_100010150147_100000728582 [0,2,0,0,0,0|2,0,0]=4 8017 B17R2.5274 Cc1c(cccc1NCc2ccccc2)Br 207a_100000750434_100015611070 [0,2,0,0,0,0|2,0,0]=4 8018 B17R2.5274 Cc1c(cccc1NCc2ccccc2)Br 270302a_100000750434_100015611070 [0,2,0,0,0,0|2,0,0]=4 8019 B17R2.5274 Cc1c(cccc1NCc2ccccc2)Br 34a_100000750434_100015291786 [0,2,0,0,0,0|2,0,0]=4 8020 B17R2.5274 Cc1c(cccc1NCc2ccccc2)Cl 207a_100000210441_100015611070 [0,2,0,0,0,0|2,0,0]=4 8021 B17R2.5274 Cc1c(cccc1NCc2ccccc2)Cl 2230a_100000210441_100015291786 [0,2,0,0,0,0|2,0,0]=4 8022 B17R2.5274 Cc1c(cccc1NCc2ccccc2)Cl 270302a_100000210441_100015611070 [0,2,0,0,0,0|2,0,0]=4 8023 B17R2.5274 Cc1c(cccc1NCc2ccccc2)Cl 34a_100000210441_100015291786 [0,2,0,0,0,0|2,0,0]=4 8024 B17R2.5274 Cc1c(cccc1NCc2ccccc2)Cl 7a_100000210441_100000211182 [0,2,0,0,0,0|2,0,0]=4 8025 B17R2.5274 Cc1c(cccc1NCc2ccccc2)F 207a_100000745574_100015611070 [0,2,0,0,0,0|2,0,0]=4 8026 B17R2.5274 Cc1c(cccc1NCc2ccccc2)F 270302a_100000745574_100015611070 [0,2,0,0,0,0|2,0,0]=4 8027 B17R2.5274 Cc1c(cccc1NCc2ccccc2)F 34a_100000745574_100015291786 [0,2,0,0,0,0|2,0,0]=4 8028 B17R2.5274 Cc1c(cccc1NCc2ccccc2)F 7a_100000745574_100000211182 [0,2,0,0,0,0|2,0,0]=4 8029 B17R2.5274 Cc1c(cccc1NCc2ccccc2)I 207a_100000761887_100015611070 [0,2,0,0,0,0|2,0,0]=4 8030 B17R2.5274 Cc1c(cccc1NCc2ccccc2)I 270302a_100000761887_100015611070 [0,2,0,0,0,0|2,0,0]=4 8031 B17R2.5274 Cc1c(cccc1NCc2ccccc2)I 34a_100000761887_100015291786 [0,2,0,0,0,0|2,0,0]=4 8032 B17R2.5274 Cc1c(cccc1NCc2ccccc2)O 270302a_100011216573_100015611070 [0,2,0,0,0,0|2,0,0]=4 8033 B17R2.5274 Cc1c(cccc1NCc2ccccc2)O 34a_100011216573_100015291786 [0,2,0,0,0,0|2,0,0]=4 8034 B17R2.5274 Cc1c(cccc1NCc2ccccc2)O 7a_100011216573_100000211182 [0,2,0,0,0,0|2,0,0]=4 8035 B17R2.5274 Cc1c(cccc1OCc2ccccc2)Br 34a_100012002258_100015291786 [0,2,0,0,0,0|1,1,0]=4 8036 B17R2.5274 Cc1c(cccc1OCc2ccccc2)Br 7a_100012002258_100000211182 [0,2,0,0,0,0|1,1,0]=4 8037 B17R2.5274 Cc1c(cccc1OCc2ccccc2)Cl 34a_100011265684_100015291786 [0,2,0,0,0,0|1,1,0]=4 8038 B17R2.5274 Cc1c(cccc1OCc2ccccc2)Cl 7a_100011265684_100000211182 [0,2,0,0,0,0|1,1,0]=4 8039 B17R2.5274 Cc1c(cccc1OCc2ccccc2)F 34a_100011217231_100015291786 [0,2,0,0,0,0|1,1,0]=4 8040 B17R2.5274 Cc1c(cccc1OCc2ccccc2)F 7a_100011217231_100000211182 [0,2,0,0,0,0|1,1,0]=4 8041 B17R2.5274 Cc1c(cccc1OCc2ccccc2)N 34a_100011216573_100015291786 [0,2,0,0,0,0|1,1,0]=4 8042 B17R2.5274 Cc1c(cccc1OCc2ccccc2)N 7a_100011216573_100000211182 [0,2,0,0,0,0|1,1,0]=4 8043 B17R2.5274 Cc1c(cccc1SCc2ccccc2)Br 62a_100000211182_100012353703 [0,2,0,0,0,0|1,0,0]=3 8044 B17R2.5274 Cc1c(cccc1SCc2ccccc2)Br 62a_100012353703_100015291786 [0,2,0,0,0,0|1,0,0]=3 8045 B17R2.5274 Cc1c(cccc1SCc2ccccc2)Cl 62a_100000211182_100000726075 [0,2,0,0,0,0|1,0,0]=3 8046 B17R2.5274 Cc1c(cccc1SCc2ccccc2)Cl 62a_100000726075_100015291786 [0,2,0,0,0,0|1,0,0]=3 8047 B17R2.5274 Cc1c(cccc1SCc2ccccc2)F 62a_100000211182_100011216893 [0,2,0,0,0,0|1,0,0]=3 8048 B17R2.5274 Cc1c(cccc1SCc2ccccc2)F 62a_100011216893_100015291786 [0,2,0,0,0,0|1,0,0]=3 8049 B17R2.5274 Cc1c(cccc1SCc2ccccc2)N 62a_100000211182_100000761887 [0,2,0,0,0,0|1,0,0]=3 8050 B17R2.5274 Cc1c(cccc1SCc2ccccc2)N 62a_100000761887_100015291786 [0,2,0,0,0,0|1,0,0]=3 8051 B17R2.5274 Cc1c(cccc1SCc2ccccc2)O 62a_100000211182_100012002258 [0,2,0,0,0,0|1,0,0]=3 8052 B17R2.5274 Cc1c(cccc1SCc2ccccc2)O 62a_100012002258_100015291786 [0,2,0,0,0,0|1,0,0]=3 8053 B17R2.5274 Cc1c(cccc1SCc2ccccn2)Br 62a_100000721315_100012353703 [0,2,0,0,0,0|2,0,0]=4 8054 B17R2.5274 Cc1c(cccc1SCc2ccccn2)Br 62a_100012353703_100000721315 [0,2,0,0,0,0|2,0,0]=4 8055 B17R2.5274 Cc1c(cccc1SCc2ccccn2)Cl 62a_100000721315_100000726075 [0,2,0,0,0,0|2,0,0]=4 8056 B17R2.5274 Cc1c(cccc1SCc2ccccn2)Cl 62a_100000726075_100000721315 [0,2,0,0,0,0|2,0,0]=4 8057 B17R2.5274 Cc1c(cccc1SCc2ccccn2)F 62a_100000721315_100011216893 [0,2,0,0,0,0|2,0,0]=4 8058 B17R2.5274 Cc1c(cccc1SCc2ccccn2)F 62a_100011216893_100000721315 [0,2,0,0,0,0|2,0,0]=4 8059 B17R2.5274 Cc1c(cccc1SCc2ccccn2)N 62a_100000721315_100000761887 [0,2,0,0,0,0|2,0,0]=4 8060 B17R2.5274 Cc1c(cccc1SCc2ccccn2)N 62a_100000761887_100000721315 [0,2,0,0,0,0|2,0,0]=4 8061 B17R2.5274 Cc1c(cccc1SCc2ccccn2)O 62a_100000721315_100012002258 [0,2,0,0,0,0|2,0,0]=4 8062 B17R2.5274 Cc1c(cccc1SCc2ccccn2)O 62a_100012002258_100000721315 [0,2,0,0,0,0|2,0,0]=4 8063 B17R2.5274 Cc1c(cccc1SCc2cccnc2)Br 62a_100000741622_100012353703 [0,2,0,0,0,0|2,0,0]=4 8064 B17R2.5274 Cc1c(cccc1SCc2cccnc2)Br 62a_100012353703_100000741622 [0,2,0,0,0,0|2,0,0]=4 8065 B17R2.5274 Cc1c(cccc1SCc2cccnc2)Cl 62a_100000726075_100000741622 [0,2,0,0,0,0|2,0,0]=4 8066 B17R2.5274 Cc1c(cccc1SCc2cccnc2)Cl 62a_100000741622_100000726075 [0,2,0,0,0,0|2,0,0]=4 8067 B17R2.5274 Cc1c(cccc1SCc2cccnc2)F 62a_100000741622_100011216893 [0,2,0,0,0,0|2,0,0]=4 8068 B17R2.5274 Cc1c(cccc1SCc2cccnc2)F 62a_100011216893_100000741622 [0,2,0,0,0,0|2,0,0]=4 8069 B17R2.5274 Cc1c(cccc1SCc2cccnc2)N 62a_100000741622_100000761887 [0,2,0,0,0,0|2,0,0]=4 8070 B17R2.5274 Cc1c(cccc1SCc2cccnc2)N 62a_100000761887_100000741622 [0,2,0,0,0,0|2,0,0]=4 8071 B17R2.5274 Cc1c(cccc1SCc2cccnc2)O 62a_100000741622_100012002258 [0,2,0,0,0,0|2,0,0]=4 8072 B17R2.5274 Cc1c(cccc1SCc2cccnc2)O 62a_100012002258_100000741622 [0,2,0,0,0,0|2,0,0]=4 8073 B17R2.5274 Cc1c(cccc1SCc2ccncc2)Br 62a_100012353703_100015193705 [0,2,0,0,0,0|2,0,0]=4 8074 B17R2.5274 Cc1c(cccc1SCc2ccncc2)Br 62a_100015193705_100012353703 [0,2,0,0,0,0|2,0,0]=4 8075 B17R2.5274 Cc1c(cccc1SCc2ccncc2)Cl 62a_100000726075_100015193705 [0,2,0,0,0,0|2,0,0]=4 8076 B17R2.5274 Cc1c(cccc1SCc2ccncc2)Cl 62a_100015193705_100000726075 [0,2,0,0,0,0|2,0,0]=4 8077 B17R2.5274 Cc1c(cccc1SCc2ccncc2)F 62a_100011216893_100015193705 [0,2,0,0,0,0|2,0,0]=4 8078 B17R2.5274 Cc1c(cccc1SCc2ccncc2)F 62a_100015193705_100011216893 [0,2,0,0,0,0|2,0,0]=4 8079 B17R2.5274 Cc1c(cccc1SCc2ccncc2)N 62a_100000761887_100015193705 [0,2,0,0,0,0|2,0,0]=4 8080 B17R2.5274 Cc1c(cccc1SCc2ccncc2)N 62a_100015193705_100000761887 [0,2,0,0,0,0|2,0,0]=4 8081 B17R2.5274 Cc1c(cccc1SCc2ccncc2)O 62a_100012002258_100015193705 [0,2,0,0,0,0|2,0,0]=4 8082 B17R2.5274 Cc1c(cccc1SCc2ccncc2)O 62a_100015193705_100012002258 [0,2,0,0,0,0|2,0,0]=4 8083 B17R2.5274 Cc1c(ccnc1CSc2ccccc2)Cl 62a_100000719477_100020614443 [0,2,0,0,0,0|2,0,0]=4 8084 B17R2.5274 Cc1c(ccnc1CSc2ccccc2)Cl 62a_100020614443_100000041952 [0,2,0,0,0,0|2,0,0]=4 8085 B17R2.5274 Cc1c(ccnc1Cl)SCc2ccccc2 62a_100000047055_100015291786 [0,2,0,0,0,0|2,0,0]=4 8086 B17R2.5274 Cc1c(ccnc1Cl)SCc2ccccc2 62a_100000211182_100000047055 [0,2,0,0,0,0|2,0,0]=4 8087 B17R2.5274 Cc1c(ccnc1F)SCc2ccccc2 62a_100000211182_100010006593 [0,2,0,0,0,0|2,0,0]=4 8088 B17R2.5274 Cc1c(ccnc1F)SCc2ccccc2 62a_100010006593_100015291786 [0,2,0,0,0,0|2,0,0]=4 8089 B17R2.5274 Cc1c(ccnc1N)SCc2ccccc2 62a_100000211182_100009865460 [0,2,0,0,0,0|2,0,0]=4 8090 B17R2.5274 Cc1c(ccnc1N)SCc2ccccc2 62a_100009865460_100015291786 [0,2,0,0,0,0|2,0,0]=4 8091 B17R2.5274 Cc1c(ccnc1O)SCc2ccccc2 62a_100000211182_100009858498 [0,2,0,0,0,0|2,0,0]=4 8092 B17R2.5274 Cc1c(ccnc1O)SCc2ccccc2 62a_100009858498_100015291786 [0,2,0,0,0,0|2,0,0]=4 8093 B17R2.5274 Cc1c(ccnc1SCc2ccccc2)F 62a_100000211182_100009846374 [0,2,0,0,0,0|2,0,0]=4 8094 B17R2.5274 Cc1c(ccnc1SCc2ccccc2)F 62a_100009846374_100015291786 [0,2,0,0,0,0|2,0,0]=4 8095 B17R2.5274 Cc1c(ccnc1SCc2ccccc2)N 62a_100000211182_100000690622 [0,2,0,0,0,0|2,0,0]=4 8096 B17R2.5274 Cc1c(ccnc1SCc2ccccc2)N 62a_100000690622_100015291786 [0,2,0,0,0,0|2,0,0]=4 8097 B17R2.5274 Cc1c(cncc1SCc2ccccc2)Br 62a_100000211182_100010109657 [0,2,0,0,0,0|2,0,0]=4 8098 B17R2.5274 Cc1c(cncc1SCc2ccccc2)Br 62a_100010109657_100015291786 [0,2,0,0,0,0|2,0,0]=4 8099 B17R2.5274 Cc1c(cncc1SCc2ccccc2)F 62a_100000211182_100009881546 [0,2,0,0,0,0|2,0,0]=4 8100 B17R2.5274 Cc1c(cncc1SCc2ccccc2)F 62a_100009881546_100015291786 [0,2,0,0,0,0|2,0,0]=4 8101 B17R2.5274 Cc1c(cncc1SCc2ccccc2)N 62a_100000211182_100011998293 [0,2,0,0,0,0|2,0,0]=4 8102 B17R2.5274 Cc1c(cncc1SCc2ccccc2)N 62a_100011998293_100015291786 [0,2,0,0,0,0|2,0,0]=4 8103 B17R2.5274 Cc1cccc(c1Br)CNc2ccccc2 207a_100000106764_100012186367 [0,2,0,0,0,0|2,0,0]=4 8104 B17R2.5274 Cc1cccc(c1Br)CNc2ccccc2 270302a_100000106764_100012186367 [0,2,0,0,0,0|2,0,0]=4 8105 B17R2.5274 Cc1cccc(c1Br)CNc2ccccc2 34a_100000106764_200012349612 [0,2,0,0,0,0|2,0,0]=4 8106 B17R2.5274 Cc1cccc(c1Br)COc2ccccc2 34a_100000210340_200012349612 [0,2,0,0,0,0|1,1,0]=4 8107 B17R2.5274 Cc1cccc(c1Br)COc2ccccc2 7a_100000210340_200012349612 [0,2,0,0,0,0|1,1,0]=4 8108 B17R2.5274 Cc1cccc(c1Br)CSc2ccccc2 62a_100000719477_200012349612 [0,2,0,0,0,0|1,0,0]=3 8109 B17R2.5274 Cc1cccc(c1Br)CSc2ccccc2 62a_200012349612_100000041952 [0,2,0,0,0,0|1,0,0]=3 8110 B17R2.5274 Cc1cccc(c1Br)CSc2ccccn2 62a_100011216584_200012349612 [0,2,0,0,0,0|2,0,0]=4 8111 B17R2.5274 Cc1cccc(c1Br)CSc2ccccn2 62a_200012349612_100011216584 [0,2,0,0,0,0|2,0,0]=4 8112 B17R2.5274 Cc1cccc(c1Br)CSc2cccnc2 62a_100000210063_200012349612 [0,2,0,0,0,0|2,0,0]=4 8113 B17R2.5274 Cc1cccc(c1Br)CSc2cccnc2 62a_200012349612_100000210063 [0,2,0,0,0,0|2,0,0]=4 8114 B17R2.5274 Cc1cccc(c1Br)CSc2ccncc2 62a_100000728582_200012349612 [0,2,0,0,0,0|2,0,0]=4 8115 B17R2.5274 Cc1cccc(c1Br)CSc2ccncc2 62a_200012349612_100000728582 [0,2,0,0,0,0|2,0,0]=4 8116 B17R2.5274 Cc1cccc(c1Br)NCc2ccccc2 34a_100000684715_100015291786 [0,2,0,0,0,0|2,0,0]=4 8117 B17R2.5274 Cc1cccc(c1Br)OCc2ccccc2 34a_100000686692_100015291786 [0,2,0,0,0,0|1,1,0]=4 8118 B17R2.5274 Cc1cccc(c1Br)OCc2ccccc2 7a_100000686692_100000211182 [0,2,0,0,0,0|1,1,0]=4 8119 B17R2.5274 Cc1cccc(c1Br)SCc2ccccc2 62a_100000211182_100012362457 [0,2,0,0,0,0|1,0,0]=3 8120 B17R2.5274 Cc1cccc(c1Br)SCc2ccccc2 62a_100012362457_100015291786 [0,2,0,0,0,0|1,0,0]=3 8121 B17R2.5274 Cc1cccc(c1Br)SCc2ccccn2 62a_100000721315_100012362457 [0,2,0,0,0,0|2,0,0]=4 8122 B17R2.5274 Cc1cccc(c1Br)SCc2ccccn2 62a_100012362457_100000721315 [0,2,0,0,0,0|2,0,0]=4 8123 B17R2.5274 Cc1cccc(c1Br)SCc2cccnc2 62a_100000741622_100012362457 [0,2,0,0,0,0|2,0,0]=4 8124 B17R2.5274 Cc1cccc(c1Br)SCc2cccnc2 62a_100012362457_100000741622 [0,2,0,0,0,0|2,0,0]=4 8125 B17R2.5274 Cc1cccc(c1Br)SCc2ccncc2 62a_100012362457_100015193705 [0,2,0,0,0,0|2,0,0]=4 8126 B17R2.5274 Cc1cccc(c1Br)SCc2ccncc2 62a_100015193705_100012362457 [0,2,0,0,0,0|2,0,0]=4 8127 B17R2.5274 Cc1cccc(c1C)C#Cc2ccccc2 271570a_100000069678_100011214922 [0,2,0,0,0,0|2,0,0]=4 8128 B17R2.5274 Cc1cccc(c1C)C=Cc2ccccc2 271570a_100102527694_100011214922 [0,2,0,0,0,0|2,0,0]=4 8129 B17R2.5274 Cc1cccc(c1C)CNc2ccccc2 207a_100000106764_100000229941 [0,2,0,0,0,0|2,0,0]=4 8130 B17R2.5274 Cc1cccc(c1C)CNc2ccccc2 270302a_100000106764_100000229941 [0,2,0,0,0,0|2,0,0]=4 8131 B17R2.5274 Cc1cccc(c1C)CNc2ccccc2 34a_100000106764_100011273979 [0,2,0,0,0,0|2,0,0]=4 8132 B17R2.5274 Cc1cccc(c1C)COc2ccccc2 34a_100000210340_100011273979 [0,2,0,0,0,0|1,1,0]=4 8133 B17R2.5274 Cc1cccc(c1C)COc2ccccc2 7a_100000210340_100011515928 [0,2,0,0,0,0|1,1,0]=4 8134 B17R2.5274 Cc1cccc(c1C)CSc2ccccc2 62a_100000719477_100011515928 [0,2,0,0,0,0|1,0,0]=3 8135 B17R2.5274 Cc1cccc(c1C)CSc2ccccc2 62a_100011515928_100000041952 [0,2,0,0,0,0|1,0,0]=3 8136 B17R2.5274 Cc1cccc(c1C)CSc2ccccn2 62a_100011216584_100011515928 [0,2,0,0,0,0|2,0,0]=4 8137 B17R2.5274 Cc1cccc(c1C)CSc2ccccn2 62a_100011515928_100011216584 [0,2,0,0,0,0|2,0,0]=4 8138 B17R2.5274 Cc1cccc(c1C)CSc2cccnc2 62a_100000210063_100011515928 [0,2,0,0,0,0|2,0,0]=4 8139 B17R2.5274 Cc1cccc(c1C)CSc2cccnc2 62a_100011515928_100000210063 [0,2,0,0,0,0|2,0,0]=4 8140 B17R2.5274 Cc1cccc(c1C)CSc2ccncc2 62a_100000728582_100011515928 [0,2,0,0,0,0|2,0,0]=4 8141 B17R2.5274 Cc1cccc(c1C)CSc2ccncc2 62a_100011515928_100000728582 [0,2,0,0,0,0|2,0,0]=4 8142 B17R2.5274 Cc1cccc(c1C)NCc2ccccc2 207a_100000210026_100015611070 [0,2,0,0,0,0|2,0,0]=4 8143 B17R2.5274 Cc1cccc(c1C)NCc2ccccc2 2230a_100000210026_100015291786 [0,2,0,0,0,0|2,0,0]=4 8144 B17R2.5274 Cc1cccc(c1C)NCc2ccccc2 270302a_100000210026_100015611070 [0,2,0,0,0,0|2,0,0]=4 8145 B17R2.5274 Cc1cccc(c1C)NCc2ccccc2 34a_100000210026_100015291786 [0,2,0,0,0,0|2,0,0]=4 8146 B17R2.5274 Cc1cccc(c1C)NCc2ccccc2 7a_100000210026_100000211182 [0,2,0,0,0,0|2,0,0]=4 8147 B17R2.5274 Cc1cccc(c1C)OCc2ccccc2 34a_100000185855_100015291786 [0,2,0,0,0,0|1,1,0]=4 8148 B17R2.5274 Cc1cccc(c1C)OCc2ccccc2 7a_100000185855_100000211182 [0,2,0,0,0,0|1,1,0]=4 8149 B17R2.5274 Cc1cccc(c1C)SCc2ccccc2 62a_100000211182_100011214922 [0,2,0,0,0,0|1,0,0]=3 8150 B17R2.5274 Cc1cccc(c1C)SCc2ccccc2 62a_100011214922_100015291786 [0,2,0,0,0,0|1,0,0]=3 8151 B17R2.5274 Cc1cccc(c1C)SCc2ccccn2 62a_100000721315_100011214922 [0,2,0,0,0,0|2,0,0]=4 8152 B17R2.5274 Cc1cccc(c1C)SCc2ccccn2 62a_100011214922_100000721315 [0,2,0,0,0,0|2,0,0]=4 8153 B17R2.5274 Cc1cccc(c1C)SCc2cccnc2 62a_100000741622_100011214922 [0,2,0,0,0,0|2,0,0]=4 8154 B17R2.5274 Cc1cccc(c1C)SCc2cccnc2 62a_100011214922_100000741622 [0,2,0,0,0,0|2,0,0]=4 8155 B17R2.5274 Cc1cccc(c1C)SCc2ccncc2 62a_100011214922_100015193705 [0,2,0,0,0,0|2,0,0]=4 8156 B17R2.5274 Cc1cccc(c1C)SCc2ccncc2 62a_100015193705_100011214922 [0,2,0,0,0,0|2,0,0]=4 8157 B17R2.5274 Cc1cccc(c1Cl)C#Cc2ccccc2 271570a_100000069678_200012352035 [0,2,0,0,0,0|2,0,0]=4 8158 B17R2.5274 Cc1cccc(c1Cl)C=Cc2ccccc2 271570a_100102527694_200012352035 [0,2,0,0,0,0|2,0,0]=4 8159 B17R2.5274 Cc1cccc(c1Cl)CNc2ccccc2 207a_100000106764_100012017286 [0,2,0,0,0,0|2,0,0]=4 8160 B17R2.5274 Cc1cccc(c1Cl)CNc2ccccc2 270302a_100000106764_100012017286 [0,2,0,0,0,0|2,0,0]=4 8161 B17R2.5274 Cc1cccc(c1Cl)NCc2ccccc2 207a_100000765562_100015611070 [0,2,0,0,0,0|2,0,0]=4 8162 B17R2.5274 Cc1cccc(c1Cl)NCc2ccccc2 270302a_100000765562_100015611070 [0,2,0,0,0,0|2,0,0]=4 8163 B17R2.5274 Cc1cccc(c1Cl)NCc2ccccc2 34a_100000765562_100015291786 [0,2,0,0,0,0|2,0,0]=4 8164 B17R2.5274 Cc1cccc(c1Cl)NCc2ccccc2 7a_100000765562_100000211182 [0,2,0,0,0,0|2,0,0]=4 8165 B17R2.5274 Cc1cccc(c1Cl)OCc2ccccc2 34a_100000695629_100015291786 [0,2,0,0,0,0|1,1,0]=4 8166 B17R2.5274 Cc1cccc(c1Cl)OCc2ccccc2 7a_100000695629_100000211182 [0,2,0,0,0,0|1,1,0]=4 8167 B17R2.5274 Cc1cccc(c1Cl)SCc2ccccc2 62a_100000211182_200012352035 [0,2,0,0,0,0|1,0,0]=3 8168 B17R2.5274 Cc1cccc(c1Cl)SCc2ccccc2 62a_200012352035_100015291786 [0,2,0,0,0,0|1,0,0]=3 8169 B17R2.5274 Cc1cccc(c1Cl)SCc2ccccn2 62a_100000721315_200012352035 [0,2,0,0,0,0|2,0,0]=4 8170 B17R2.5274 Cc1cccc(c1Cl)SCc2ccccn2 62a_200012352035_100000721315 [0,2,0,0,0,0|2,0,0]=4 8171 B17R2.5274 Cc1cccc(c1Cl)SCc2cccnc2 62a_100000741622_200012352035 [0,2,0,0,0,0|2,0,0]=4 8172 B17R2.5274 Cc1cccc(c1Cl)SCc2cccnc2 62a_200012352035_100000741622 [0,2,0,0,0,0|2,0,0]=4 8173 B17R2.5274 Cc1cccc(c1Cl)SCc2ccncc2 62a_100015193705_200012352035 [0,2,0,0,0,0|2,0,0]=4 8174 B17R2.5274 Cc1cccc(c1Cl)SCc2ccncc2 62a_200012352035_100015193705 [0,2,0,0,0,0|2,0,0]=4 8175 B17R2.5274 Cc1cccc(c1F)C#Cc2ccccc2 271570a_100000069678_100000717567 [0,2,0,0,0,0|2,0,0]=4 8176 B17R2.5274 Cc1cccc(c1F)C=Cc2ccccc2 271570a_100102527694_100000717567 [0,2,0,0,0,0|2,0,0]=4 8177 B17R2.5274 Cc1cccc(c1F)CNc2ccccc2 207a_100000106764_100011219516 [0,2,0,0,0,0|2,0,0]=4 8178 B17R2.5274 Cc1cccc(c1F)CNc2ccccc2 270302a_100000106764_100011219516 [0,2,0,0,0,0|2,0,0]=4 8179 B17R2.5274 Cc1cccc(c1F)CNc2ccccc2 34a_100000106764_100011216058 [0,2,0,0,0,0|2,0,0]=4 8180 B17R2.5274 Cc1cccc(c1F)COc2ccccc2 34a_100000210340_100011216058 [0,2,0,0,0,0|1,1,0]=4 8181 B17R2.5274 Cc1cccc(c1F)COc2ccccc2 7a_100000210340_100011216058 [0,2,0,0,0,0|1,1,0]=4 8182 B17R2.5274 Cc1cccc(c1F)CSc2ccccc2 62a_100000719477_100011216058 [0,2,0,0,0,0|1,0,0]=3 8183 B17R2.5274 Cc1cccc(c1F)CSc2ccccc2 62a_100011216058_100000041952 [0,2,0,0,0,0|1,0,0]=3 8184 B17R2.5274 Cc1cccc(c1F)CSc2ccccn2 62a_100011216058_100011216584 [0,2,0,0,0,0|2,0,0]=4 8185 B17R2.5274 Cc1cccc(c1F)CSc2ccccn2 62a_100011216584_100011216058 [0,2,0,0,0,0|2,0,0]=4 8186 B17R2.5274 Cc1cccc(c1F)CSc2cccnc2 62a_100000210063_100011216058 [0,2,0,0,0,0|2,0,0]=4 8187 B17R2.5274 Cc1cccc(c1F)CSc2cccnc2 62a_100011216058_100000210063 [0,2,0,0,0,0|2,0,0]=4 8188 B17R2.5274 Cc1cccc(c1F)CSc2ccncc2 62a_100000728582_100011216058 [0,2,0,0,0,0|2,0,0]=4 8189 B17R2.5274 Cc1cccc(c1F)CSc2ccncc2 62a_100011216058_100000728582 [0,2,0,0,0,0|2,0,0]=4 8190 B17R2.5274 Cc1cccc(c1F)NCc2ccccc2 207a_100000697159_100015611070 [0,2,0,0,0,0|2,0,0]=4 8191 B17R2.5274 Cc1cccc(c1F)NCc2ccccc2 2230a_100000697159_100015291786 [0,2,0,0,0,0|2,0,0]=4 8192 B17R2.5274 Cc1cccc(c1F)NCc2ccccc2 270302a_100000697159_100015611070 [0,2,0,0,0,0|2,0,0]=4 8193 B17R2.5274 Cc1cccc(c1F)NCc2ccccc2 34a_100000697159_100015291786 [0,2,0,0,0,0|2,0,0]=4 8194 B17R2.5274 Cc1cccc(c1F)NCc2ccccc2 7a_100000697159_100000211182 [0,2,0,0,0,0|2,0,0]=4 8195 B17R2.5274 Cc1cccc(c1F)OCc2ccccc2 34a_100000751311_100015291786 [0,2,0,0,0,0|1,1,0]=4 8196 B17R2.5274 Cc1cccc(c1F)OCc2ccccc2 7a_100000751311_100000211182 [0,2,0,0,0,0|1,1,0]=4 8197 B17R2.5274 Cc1cccc(c1F)SCc2ccccc2 62a_100000211182_100000717567 [0,2,0,0,0,0|1,0,0]=3 8198 B17R2.5274 Cc1cccc(c1F)SCc2ccccc2 62a_100000717567_100015291786 [0,2,0,0,0,0|1,0,0]=3 8199 B17R2.5274 Cc1cccc(c1F)SCc2ccccn2 62a_100000717567_100000721315 [0,2,0,0,0,0|2,0,0]=4 8200 B17R2.5274 Cc1cccc(c1F)SCc2ccccn2 62a_100000721315_100000717567 [0,2,0,0,0,0|2,0,0]=4 8201 B17R2.5274 Cc1cccc(c1F)SCc2cccnc2 62a_100000717567_100000741622 [0,2,0,0,0,0|2,0,0]=4 8202 B17R2.5274 Cc1cccc(c1F)SCc2cccnc2 62a_100000741622_100000717567 [0,2,0,0,0,0|2,0,0]=4 8203 B17R2.5274 Cc1cccc(c1F)SCc2ccncc2 62a_100000717567_100015193705 [0,2,0,0,0,0|2,0,0]=4 8204 B17R2.5274 Cc1cccc(c1F)SCc2ccncc2 62a_100015193705_100000717567 [0,2,0,0,0,0|2,0,0]=4 8205 B17R2.5274 Cc1cccc(c1I)NCc2ccccc2 34a_100000761888_100015291786 [0,2,0,0,0,0|2,0,0]=4 8206 B17R2.5274 Cc1cccc(c1I)OCc2ccccc2 34a_100010083724_100015291786 [0,2,0,0,0,0|1,1,0]=4 8207 B17R2.5274 Cc1cccc(c1I)OCc2ccccc2 7a_100010083724_100000211182 [0,2,0,0,0,0|1,1,0]=4 8208 B17R2.5274 Cc1cccc(c1N)C#Cc2ccccc2 271570a_100000069678_100011834072 [0,2,0,0,0,0|2,0,0]=4 8209 B17R2.5274 Cc1cccc(c1N)C=Cc2ccccc2 271570a_100102527694_100011834072 [0,2,0,0,0,0|2,0,0]=4 8210 B17R2.5274 Cc1cccc(c1N)OCc2ccccc2 34a_100000743429_100015291786 [0,2,0,0,0,0|1,1,0]=4 8211 B17R2.5274 Cc1cccc(c1N)OCc2ccccc2 7a_100000743429_100000211182 [0,2,0,0,0,0|1,1,0]=4 8212 B17R2.5274 Cc1cccc(c1N)SCc2ccccc2 62a_100000211182_100011834072 [0,2,0,0,0,0|1,0,0]=3 8213 B17R2.5274 Cc1cccc(c1N)SCc2ccccc2 62a_100011834072_100015291786 [0,2,0,0,0,0|1,0,0]=3 8214 B17R2.5274 Cc1cccc(c1N)SCc2ccccn2 62a_100000721315_100011834072 [0,2,0,0,0,0|2,0,0]=4 8215 B17R2.5274 Cc1cccc(c1N)SCc2ccccn2 62a_100011834072_100000721315 [0,2,0,0,0,0|2,0,0]=4 8216 B17R2.5274 Cc1cccc(c1N)SCc2cccnc2 62a_100000741622_100011834072 [0,2,0,0,0,0|2,0,0]=4 8217 B17R2.5274 Cc1cccc(c1N)SCc2cccnc2 62a_100011834072_100000741622 [0,2,0,0,0,0|2,0,0]=4 8218 B17R2.5274 Cc1cccc(c1N)SCc2ccncc2 62a_100011834072_100015193705 [0,2,0,0,0,0|2,0,0]=4 8219 B17R2.5274 Cc1cccc(c1N)SCc2ccncc2 62a_100015193705_100011834072 [0,2,0,0,0,0|2,0,0]=4 8220 B17R2.5274 Cc1cccc(c1O)C#Cc2ccccc2 271570a_100000069678_100009817157 [0,2,0,0,0,0|2,0,0]=4 8221 B17R2.5274 Cc1cccc(c1O)C=Cc2ccccc2 271570a_100102527694_100009817157 [0,2,0,0,0,0|2,0,0]=4 8222 B17R2.5274 Cc1cccc(c1O)NCc2ccccc2 270302a_100000756359_100015611070 [0,2,0,0,0,0|2,0,0]=4 8223 B17R2.5274 Cc1cccc(c1O)NCc2ccccc2 34a_100000756359_100015291786 [0,2,0,0,0,0|2,0,0]=4 8224 B17R2.5274 Cc1cccc(c1O)SCc2ccccc2 62a_100000211182_100009817157 [0,2,0,0,0,0|1,0,0]=3 8225 B17R2.5274 Cc1cccc(c1O)SCc2ccccc2 62a_100009817157_100015291786 [0,2,0,0,0,0|1,0,0]=3 8226 B17R2.5274 Cc1cccc(c1O)SCc2ccccn2 62a_100000721315_100009817157 [0,2,0,0,0,0|2,0,0]=4 8227 B17R2.5274 Cc1cccc(c1O)SCc2ccccn2 62a_100009817157_100000721315 [0,2,0,0,0,0|2,0,0]=4 8228 B17R2.5274 Cc1cccc(c1O)SCc2cccnc2 62a_100000741622_100009817157 [0,2,0,0,0,0|2,0,0]=4 8229 B17R2.5274 Cc1cccc(c1O)SCc2cccnc2 62a_100009817157_100000741622 [0,2,0,0,0,0|2,0,0]=4 8230 B17R2.5274 Cc1cccc(c1O)SCc2ccncc2 62a_100009817157_100015193705 [0,2,0,0,0,0|2,0,0]=4 8231 B17R2.5274 Cc1cccc(c1O)SCc2ccncc2 62a_100015193705_100009817157 [0,2,0,0,0,0|2,0,0]=4 8232 B17R2.5274 Cc1ccnc(c1C)SCc2ccccc2 62a_100000211182_100009847204 [0,2,0,0,0,0|2,0,0]=4 8233 B17R2.5274 Cc1ccnc(c1C)SCc2ccccc2 62a_100009847204_100015291786 [0,2,0,0,0,0|2,0,0]=4 8234 B17R2.5274 Cc1ccnc(c1F)SCc2ccccc2 62a_100000211182_100009817629 [0,2,0,0,0,0|2,0,0]=4 8235 B17R2.5274 Cc1ccnc(c1F)SCc2ccccc2 62a_100009817629_100015291786 [0,2,0,0,0,0|2,0,0]=4 8236 B17R2.5274 Cc1ccnc(c1N)SCc2ccccc2 62a_100000211182_100000763560 [0,2,0,0,0,0|2,0,0]=4 8237 B17R2.5274 Cc1ccnc(c1N)SCc2ccccc2 62a_100000763560_100015291786 [0,2,0,0,0,0|2,0,0]=4 8238 B17R2.5274 Cc1ccnc(c1O)SCc2ccccc2 62a_100000211182_100000696282 [0,2,0,0,0,0|2,0,0]=4 8239 B17R2.5274 Cc1cncc(c1C)SCc2ccccc2 62a_100000211182_100009864703 [0,2,0,0,0,0|2,0,0]=4 8240 B17R2.5274 Cc1cncc(c1C)SCc2ccccc2 62a_100009864703_100015291786 [0,2,0,0,0,0|2,0,0]=4 8241 B17R2.5274 Cc1cncc(c1N)SCc2ccccc2 62a_100000211182_100009818025 [0,2,0,0,0,0|2,0,0]=4 8242 B17R2.5274 Cc1cncc(c1N)SCc2ccccc2 62a_100009818025_100015291786 [0,2,0,0,0,0|2,0,0]=4 8243 B17R2.5274 Cc1nccc(c1C)SCc2ccccc2 62a_100000211182_100009846815 [0,2,0,0,0,0|2,0,0]=4 8244 B17R2.5274 Cc1nccc(c1C)SCc2ccccc2 62a_100009846815_100015291786 [0,2,0,0,0,0|2,0,0]=4 8245 B17R2.5274 Cc1nccc(c1Cl)SCc2ccccc2 62a_100000211182_100000698670 [0,2,0,0,0,0|2,0,0]=4 8246 B17R2.5274 Cc1nccc(c1Cl)SCc2ccccc2 62a_100000698670_100015291786 [0,2,0,0,0,0|2,0,0]=4 8247 B17R2.5274 Cc1nccc(c1F)SCc2ccccc2 62a_100000211182_100009849794 [0,2,0,0,0,0|2,0,0]=4 8248 B17R2.5274 Cc1nccc(c1F)SCc2ccccc2 62a_100009849794_100015291786 [0,2,0,0,0,0|2,0,0]=4 8249 B17R2.5274 Cc1nccc(c1N)SCc2ccccc2 62a_100000211182_100009885578 [0,2,0,0,0,0|2,0,0]=4 8250 B17R2.5274 Cc1nccc(c1N)SCc2ccccc2 62a_100009885578_100015291786 [0,2,0,0,0,0|2,0,0]=4 8251 B17R2.5274 Clc1c(cccc1C#Cc2ccccc2)Br 271570a_100000069678_100010142854 [0,2,0,0,0,0|2,0,0]=4 8252 B17R2.5274 Clc1c(cccc1C=Cc2ccccc2)Br 271570a_100102527694_100010142854 [0,2,0,0,0,0|2,0,0]=4 8253 B17R2.5274 Clc1c(cccc1CNc2ccccc2)Br 207a_100000106764_100012362481 [0,2,0,0,0,0|2,0,0]=4 8254 B17R2.5274 Clc1c(cccc1CNc2ccccc2)Br 270302a_100000106764_100012362481 [0,2,0,0,0,0|2,0,0]=4 8255 B17R2.5274 Clc1c(cccc1CNc2ccccc2)Br 34a_100000106764_100012349491 [0,2,0,0,0,0|2,0,0]=4 8256 B17R2.5274 Clc1c(cccc1COc2ccccc2)Br 34a_100000210340_100012349491 [0,2,0,0,0,0|1,1,0]=4 8257 B17R2.5274 Clc1c(cccc1COc2ccccc2)Br 7a_100000210340_100012349491 [0,2,0,0,0,0|1,1,0]=4 8258 B17R2.5274 Clc1c(cccc1CSc2ccccc2)Br 62a_100000719477_100012349491 [0,2,0,0,0,0|1,0,0]=3 8259 B17R2.5274 Clc1c(cccc1CSc2ccccc2)Br 62a_100012349491_100000041952 [0,2,0,0,0,0|1,0,0]=3 8260 B17R2.5274 Clc1c(cccc1CSc2ccccn2)Br 62a_100011216584_100012349491 [0,2,0,0,0,0|2,0,0]=4 8261 B17R2.5274 Clc1c(cccc1CSc2ccccn2)Br 62a_100012349491_100011216584 [0,2,0,0,0,0|2,0,0]=4 8262 B17R2.5274 Clc1c(cccc1CSc2cccnc2)Br 62a_100000210063_100012349491 [0,2,0,0,0,0|2,0,0]=4 8263 B17R2.5274 Clc1c(cccc1CSc2cccnc2)Br 62a_100012349491_100000210063 [0,2,0,0,0,0|2,0,0]=4 8264 B17R2.5274 Clc1c(cccc1CSc2ccncc2)Br 62a_100000728582_100012349491 [0,2,0,0,0,0|2,0,0]=4 8265 B17R2.5274 Clc1c(cccc1CSc2ccncc2)Br 62a_100012349491_100000728582 [0,2,0,0,0,0|2,0,0]=4 8266 B17R2.5274 Clc1c(cccc1NCc2ccccc2)Br 207a_100000687075_100015611070 [0,2,0,0,0,0|2,0,0]=4 8267 B17R2.5274 Clc1c(cccc1NCc2ccccc2)Br 270302a_100000687075_100015611070 [0,2,0,0,0,0|2,0,0]=4 8268 B17R2.5274 Clc1c(cccc1NCc2ccccc2)Br 34a_100000687075_100015291786 [0,2,0,0,0,0|2,0,0]=4 8269 B17R2.5274 Clc1c(cccc1OCc2ccccc2)Br 34a_100010187913_100015291786 [0,2,0,0,0,0|1,1,0]=4 8270 B17R2.5274 Clc1c(cccc1OCc2ccccc2)Br 7a_100010187913_100000211182 [0,2,0,0,0,0|1,1,0]=4 8271 B17R2.5274 Clc1c(cccc1OCc2ccccc2)I 34a_100000049636_100015291786 [0,2,0,0,0,0|1,1,0]=4 8272 B17R2.5274 Clc1c(cccc1OCc2ccccc2)I 7a_100000049636_100000211182 [0,2,0,0,0,0|1,1,0]=4 8273 B17R2.5274 Clc1c(cccc1SCc2ccccc2)Br 62a_100000211182_100010142854 [0,2,0,0,0,0|1,0,0]=3 8274 B17R2.5274 Clc1c(cccc1SCc2ccccc2)Br 62a_100010142854_100015291786 [0,2,0,0,0,0|1,0,0]=3 8275 B17R2.5274 Clc1c(cccc1SCc2ccccn2)Br 62a_100000721315_100010142854 [0,2,0,0,0,0|2,0,0]=4 8276 B17R2.5274 Clc1c(cccc1SCc2ccccn2)Br 62a_100010142854_100000721315 [0,2,0,0,0,0|2,0,0]=4 8277 B17R2.5274 Clc1c(cccc1SCc2cccnc2)Br 62a_100000741622_100010142854 [0,2,0,0,0,0|2,0,0]=4 8278 B17R2.5274 Clc1c(cccc1SCc2cccnc2)Br 62a_100010142854_100000741622 [0,2,0,0,0,0|2,0,0]=4 8279 B17R2.5274 Clc1c(cccc1SCc2ccncc2)Br 62a_100010142854_100015193705 [0,2,0,0,0,0|2,0,0]=4 8280 B17R2.5274 Clc1c(cccc1SCc2ccncc2)Br 62a_100015193705_100010142854 [0,2,0,0,0,0|2,0,0]=4 8281 B17R2.5274 Clc1cccc(c1Br)CNc2ccccc2 207a_100000106764_100010232083 [0,2,0,0,0,0|2,0,0]=4 8282 B17R2.5274 Clc1cccc(c1Br)CNc2ccccc2 270302a_100000106764_100010232083 [0,2,0,0,0,0|2,0,0]=4 8283 B17R2.5274 Clc1cccc(c1Br)CNc2ccccc2 34a_100000106764_100010145525 [0,2,0,0,0,0|2,0,0]=4 8284 B17R2.5274 Clc1cccc(c1Br)COc2ccccc2 34a_100000210340_100010145525 [0,2,0,0,0,0|1,1,0]=4 8285 B17R2.5274 Clc1cccc(c1Br)COc2ccccc2 7a_100000210340_100010145525 [0,2,0,0,0,0|1,1,0]=4 8286 B17R2.5274 Clc1cccc(c1Br)CSc2ccccc2 62a_100000719477_100010145525 [0,2,0,0,0,0|1,0,0]=3 8287 B17R2.5274 Clc1cccc(c1Br)CSc2ccccc2 62a_100010145525_100000041952 [0,2,0,0,0,0|1,0,0]=3 8288 B17R2.5274 Clc1cccc(c1Br)CSc2ccccn2 62a_100010145525_100011216584 [0,2,0,0,0,0|2,0,0]=4 8289 B17R2.5274 Clc1cccc(c1Br)CSc2ccccn2 62a_100011216584_100010145525 [0,2,0,0,0,0|2,0,0]=4 8290 B17R2.5274 Clc1cccc(c1Br)CSc2cccnc2 62a_100000210063_100010145525 [0,2,0,0,0,0|2,0,0]=4 8291 B17R2.5274 Clc1cccc(c1Br)CSc2cccnc2 62a_100010145525_100000210063 [0,2,0,0,0,0|2,0,0]=4 8292 B17R2.5274 Clc1cccc(c1Br)CSc2ccncc2 62a_100000728582_100010145525 [0,2,0,0,0,0|2,0,0]=4 8293 B17R2.5274 Clc1cccc(c1Br)CSc2ccncc2 62a_100010145525_100000728582 [0,2,0,0,0,0|2,0,0]=4 8294 B17R2.5274 Clc1cccc(c1Br)NCc2ccccc2 34a_100000687072_100015291786 [0,2,0,0,0,0|2,0,0]=4 8295 B17R2.5274 Clc1cccc(c1Br)OCc2ccccc2 34a_100012348804_100015291786 [0,2,0,0,0,0|1,1,0]=4 8296 B17R2.5274 Clc1cccc(c1Br)OCc2ccccc2 7a_100012348804_100000211182 [0,2,0,0,0,0|1,1,0]=4 8297 B17R2.5274 Clc1cccc(c1Br)SCc2ccccc2 62a_100000211182_100014021842 [0,2,0,0,0,0|1,0,0]=3 8298 B17R2.5274 Clc1cccc(c1Br)SCc2ccccc2 62a_100014021842_100015291786 [0,2,0,0,0,0|1,0,0]=3 8299 B17R2.5274 Clc1cccc(c1Br)SCc2ccccn2 62a_100000721315_100014021842 [0,2,0,0,0,0|2,0,0]=4 8300 B17R2.5274 Clc1cccc(c1Br)SCc2ccccn2 62a_100014021842_100000721315 [0,2,0,0,0,0|2,0,0]=4 8301 B17R2.5274 Clc1cccc(c1Br)SCc2cccnc2 62a_100000741622_100014021842 [0,2,0,0,0,0|2,0,0]=4 8302 B17R2.5274 Clc1cccc(c1Br)SCc2cccnc2 62a_100014021842_100000741622 [0,2,0,0,0,0|2,0,0]=4 8303 B17R2.5274 Clc1cccc(c1Br)SCc2ccncc2 62a_100014021842_100015193705 [0,2,0,0,0,0|2,0,0]=4 8304 B17R2.5274 Clc1cccc(c1Br)SCc2ccncc2 62a_100015193705_100014021842 [0,2,0,0,0,0|2,0,0]=4 8305 B17R2.5274 Clc1cccc(c1Cl)C#Cc2ccccc2 271570a_100000069678_100011215384 [0,2,0,0,0,0|2,0,0]=4 8306 B17R2.5274 Clc1cccc(c1Cl)C=Cc2ccccc2 271570a_100102527694_100011215384 [0,2,0,0,0,0|2,0,0]=4 8307 B17R2.5274 Clc1cccc(c1Cl)CNc2ccccc2 207a_100000106764_100000210504 [0,2,0,0,0,0|2,0,0]=4 8308 B17R2.5274 Clc1cccc(c1Cl)CNc2ccccc2 270302a_100000106764_100000210504 [0,2,0,0,0,0|2,0,0]=4 8309 B17R2.5274 Clc1cccc(c1Cl)CNc2ccccc2 34a_100000106764_100000723366 [0,2,0,0,0,0|2,0,0]=4 8310 B17R2.5274 Clc1cccc(c1Cl)COc2ccccc2 34a_100000210340_100000723366 [0,2,0,0,0,0|1,1,0]=4 8311 B17R2.5274 Clc1cccc(c1Cl)COc2ccccc2 7a_100000210340_100000723366 [0,2,0,0,0,0|1,1,0]=4 8312 B17R2.5274 Clc1cccc(c1Cl)CSc2ccccc2 62a_100000719477_100000723366 [0,2,0,0,0,0|1,0,0]=3 8313 B17R2.5274 Clc1cccc(c1Cl)CSc2ccccc2 62a_100000720918_100000041952 [0,2,0,0,0,0|1,0,0]=3 8314 B17R2.5274 Clc1cccc(c1Cl)CSc2ccccn2 62a_100000720918_100011216584 [0,2,0,0,0,0|2,0,0]=4 8315 B17R2.5274 Clc1cccc(c1Cl)CSc2ccccn2 62a_100011216584_100000723366 [0,2,0,0,0,0|2,0,0]=4 8316 B17R2.5274 Clc1cccc(c1Cl)CSc2cccnc2 62a_100000210063_100000723366 [0,2,0,0,0,0|2,0,0]=4 8317 B17R2.5274 Clc1cccc(c1Cl)CSc2cccnc2 62a_100000720918_100000210063 [0,2,0,0,0,0|2,0,0]=4 8318 B17R2.5274 Clc1cccc(c1Cl)CSc2ccncc2 62a_100000720918_100000728582 [0,2,0,0,0,0|2,0,0]=4 8319 B17R2.5274 Clc1cccc(c1Cl)CSc2ccncc2 62a_100000728582_100000723366 [0,2,0,0,0,0|2,0,0]=4 8320 B17R2.5274 Clc1cccc(c1Cl)NCc2ccccc2 270302a_100000185733_100015611070 [0,2,0,0,0,0|2,0,0]=4 8321 B17R2.5274 Clc1cccc(c1Cl)NCc2ccccc2 34a_100000185733_100015291786 [0,2,0,0,0,0|2,0,0]=4 8322 B17R2.5274 Clc1cccc(c1Cl)OCc2ccccc2 34a_100000211076_100015291786 [0,2,0,0,0,0|1,1,0]=4 8323 B17R2.5274 Clc1cccc(c1Cl)OCc2ccccc2 7a_100000211076_100000211182 [0,2,0,0,0,0|1,1,0]=4 8324 B17R2.5274 Clc1cccc(c1Cl)SCc2ccccc2 62a_100000211182_100011215384 [0,2,0,0,0,0|1,0,0]=3 8325 B17R2.5274 Clc1cccc(c1Cl)SCc2ccccc2 62a_100011215384_100015291786 [0,2,0,0,0,0|1,0,0]=3 8326 B17R2.5274 Clc1cccc(c1Cl)SCc2ccccn2 62a_100000721315_100011215384 [0,2,0,0,0,0|2,0,0]=4 8327 B17R2.5274 Clc1cccc(c1Cl)SCc2ccccn2 62a_100011215384_100000721315 [0,2,0,0,0,0|2,0,0]=4 8328 B17R2.5274 Clc1cccc(c1Cl)SCc2cccnc2 62a_100000741622_100011215384 [0,2,0,0,0,0|2,0,0]=4 8329 B17R2.5274 Clc1cccc(c1Cl)SCc2cccnc2 62a_100011215384_100000741622 [0,2,0,0,0,0|2,0,0]=4 8330 B17R2.5274 Clc1cccc(c1Cl)SCc2ccncc2 62a_100011215384_100015193705 [0,2,0,0,0,0|2,0,0]=4 8331 B17R2.5274 Clc1cccc(c1Cl)SCc2ccncc2 62a_100015193705_100011215384 [0,2,0,0,0,0|2,0,0]=4 8332 B17R2.5274 Clc1cccc(c1I)NCc2ccccc2 34a_100000049713_100015291786 [0,2,0,0,0,0|2,0,0]=4 8333 B17R2.5274 Clc1cccc(c1I)OCc2ccccc2 34a_100000050174_100015291786 [0,2,0,0,0,0|1,1,0]=4 8334 B17R2.5274 Clc1cccc(c1I)OCc2ccccc2 7a_100000050174_100000211182 [0,2,0,0,0,0|1,1,0]=4 8335 B17R2.5274 Clc1nccc(c1Cl)SCc2ccccc2 62a_100000211182_100010246212 [0,2,0,0,0,0|2,0,0]=4 8336 B17R2.5274 Clc1nccc(c1Cl)SCc2ccccc2 62a_100010246212_100015291786 [0,2,0,0,0,0|2,0,0]=4 8337 B17R2.5274 Cn1c(cccc1=O)SCc2ccccc2 62a_100000211182_100000726605 [0,2,0,0,0,0|2,0,0]=4 8338 B17R2.5274 Cn1c(cccc1=O)SCc2ccccc2 62a_100000726605_100015291786 [0,2,0,0,0,0|2,0,0]=4 8339 B17R2.5274 Cn1cccc(c1=O)SCc2ccccc2 62a_100000211182_100000687173 [0,2,0,0,0,0|2,0,0]=4 8340 B17R2.5274 Cn1cccc(c1=O)SCc2ccccc2 62a_100000687173_100015291786 [0,2,0,0,0,0|2,0,0]=4 8341 B17R2.5274 Fc1c(cccc1C#Cc2ccccc2)Br 271570a_100000069678_100000702267 [0,2,0,0,0,0|2,0,0]=4 8342 B17R2.5274 Fc1c(cccc1C#Cc2ccccc2)Cl 271570a_100000069678_100011217346 [0,2,0,0,0,0|2,0,0]=4 8343 B17R2.5274 Fc1c(cccc1C=Cc2ccccc2)Br 271570a_100102527694_100000702267 [0,2,0,0,0,0|2,0,0]=4 8344 B17R2.5274 Fc1c(cccc1C=Cc2ccccc2)Cl 271570a_100102527694_100011217346 [0,2,0,0,0,0|2,0,0]=4 8345 B17R2.5274 Fc1c(cccc1CNc2ccccc2)Br 207a_100000106764_100011361543 [0,2,0,0,0,0|2,0,0]=4 8346 B17R2.5274 Fc1c(cccc1CNc2ccccc2)Br 270302a_100000106764_100011361543 [0,2,0,0,0,0|2,0,0]=4 8347 B17R2.5274 Fc1c(cccc1CNc2ccccc2)Br 34a_100000106764_100012356506 [0,2,0,0,0,0|2,0,0]=4 8348 B17R2.5274 Fc1c(cccc1CNc2ccccc2)Cl 207a_100000106764_100000766533 [0,2,0,0,0,0|2,0,0]=4 8349 B17R2.5274 Fc1c(cccc1CNc2ccccc2)Cl 34a_100000106764_100000716733 [0,2,0,0,0,0|2,0,0]=4 8350 B17R2.5274 Fc1c(cccc1CNc2ccccc2)I 207a_100000106764_100010202174 [0,2,0,0,0,0|2,0,0]=4 8351 B17R2.5274 Fc1c(cccc1COc2ccccc2)Br 34a_100000210340_100012356506 [0,2,0,0,0,0|1,1,0]=4 8352 B17R2.5274 Fc1c(cccc1COc2ccccc2)Br 7a_100000210340_100012356506 [0,2,0,0,0,0|1,1,0]=4 8353 B17R2.5274 Fc1c(cccc1COc2ccccc2)Cl 34a_100000210340_100000716733 [0,2,0,0,0,0|1,1,0]=4 8354 B17R2.5274 Fc1c(cccc1COc2ccccc2)Cl 7a_100000210340_100000716733 [0,2,0,0,0,0|1,1,0]=4 8355 B17R2.5274 Fc1c(cccc1CSc2ccccc2)Br 62a_100000719477_100012356506 [0,2,0,0,0,0|1,0,0]=3 8356 B17R2.5274 Fc1c(cccc1CSc2ccccc2)Br 62a_100012356506_100000041952 [0,2,0,0,0,0|1,0,0]=3 8357 B17R2.5274 Fc1c(cccc1CSc2ccccc2)Cl 62a_100000716733_100000041952 [0,2,0,0,0,0|1,0,0]=3 8358 B17R2.5274 Fc1c(cccc1CSc2ccccc2)Cl 62a_100000719477_100000716733 [0,2,0,0,0,0|1,0,0]=3 8359 B17R2.5274 Fc1c(cccc1CSc2ccccn2)Br 62a_100011216584_100012356506 [0,2,0,0,0,0|2,0,0]=4 8360 B17R2.5274 Fc1c(cccc1CSc2ccccn2)Br 62a_100012356506_100011216584 [0,2,0,0,0,0|2,0,0]=4 8361 B17R2.5274 Fc1c(cccc1CSc2ccccn2)Cl 62a_100000716733_100011216584 [0,2,0,0,0,0|2,0,0]=4 8362 B17R2.5274 Fc1c(cccc1CSc2ccccn2)Cl 62a_100011216584_100000716733 [0,2,0,0,0,0|2,0,0]=4 8363 B17R2.5274 Fc1c(cccc1CSc2cccnc2)Br 62a_100000210063_100012356506 [0,2,0,0,0,0|2,0,0]=4 8364 B17R2.5274 Fc1c(cccc1CSc2cccnc2)Br 62a_100012356506_100000210063 [0,2,0,0,0,0|2,0,0]=4 8365 B17R2.5274 Fc1c(cccc1CSc2cccnc2)Cl 62a_100000210063_100000716733 [0,2,0,0,0,0|2,0,0]=4 8366 B17R2.5274 Fc1c(cccc1CSc2cccnc2)Cl 62a_100000716733_100000210063 [0,2,0,0,0,0|2,0,0]=4 8367 B17R2.5274 Fc1c(cccc1CSc2ccncc2)Br 62a_100000728582_100012356506 [0,2,0,0,0,0|2,0,0]=4 8368 B17R2.5274 Fc1c(cccc1CSc2ccncc2)Br 62a_100012356506_100000728582 [0,2,0,0,0,0|2,0,0]=4 8369 B17R2.5274 Fc1c(cccc1CSc2ccncc2)Cl 62a_100000716733_100000728582 [0,2,0,0,0,0|2,0,0]=4 8370 B17R2.5274 Fc1c(cccc1CSc2ccncc2)Cl 62a_100000728582_100000716733 [0,2,0,0,0,0|2,0,0]=4 8371 B17R2.5274 Fc1c(cccc1NCc2ccccc2)Br 207a_100011935091_100015611070 [0,2,0,0,0,0|2,0,0]=4 8372 B17R2.5274 Fc1c(cccc1NCc2ccccc2)Br 2230a_100011935091_100015291786 [0,2,0,0,0,0|2,0,0]=4 8373 B17R2.5274 Fc1c(cccc1NCc2ccccc2)Br 270302a_100011935091_100015611070 [0,2,0,0,0,0|2,0,0]=4 8374 B17R2.5274 Fc1c(cccc1NCc2ccccc2)Br 34a_100011935091_100015291786 [0,2,0,0,0,0|2,0,0]=4 8375 B17R2.5274 Fc1c(cccc1NCc2ccccc2)Cl 207a_100000199060_100015611070 [0,2,0,0,0,0|2,0,0]=4 8376 B17R2.5274 Fc1c(cccc1NCc2ccccc2)Cl 2230a_100000199060_100015291786 [0,2,0,0,0,0|2,0,0]=4 8377 B17R2.5274 Fc1c(cccc1NCc2ccccc2)Cl 270302a_100000199060_100015611070 [0,2,0,0,0,0|2,0,0]=4 8378 B17R2.5274 Fc1c(cccc1NCc2ccccc2)Cl 34a_100000199060_100015291786 [0,2,0,0,0,0|2,0,0]=4 8379 B17R2.5274 Fc1c(cccc1OCc2ccccc2)Br 34a_100009817021_100015291786 [0,2,0,0,0,0|1,1,0]=4 8380 B17R2.5274 Fc1c(cccc1OCc2ccccc2)Br 7a_100009817021_100000211182 [0,2,0,0,0,0|1,1,0]=4 8381 B17R2.5274 Fc1c(cccc1OCc2ccccc2)Cl 34a_100000687438_100015291786 [0,2,0,0,0,0|1,1,0]=4 8382 B17R2.5274 Fc1c(cccc1OCc2ccccc2)Cl 7a_100000687438_100000211182 [0,2,0,0,0,0|1,1,0]=4 8383 B17R2.5274 Fc1c(cccc1SCc2ccccc2)Br 62a_100000211182_100000702267 [0,2,0,0,0,0|1,0,0]=3 8384 B17R2.5274 Fc1c(cccc1SCc2ccccc2)Br 62a_100000702267_100015291786 [0,2,0,0,0,0|1,0,0]=3 8385 B17R2.5274 Fc1c(cccc1SCc2ccccc2)Cl 62a_100000211182_100011217346 [0,2,0,0,0,0|1,0,0]=3 8386 B17R2.5274 Fc1c(cccc1SCc2ccccc2)Cl 62a_100011217346_100015291786 [0,2,0,0,0,0|1,0,0]=3 8387 B17R2.5274 Fc1c(cccc1SCc2ccccn2)Br 62a_100000702267_100000721315 [0,2,0,0,0,0|2,0,0]=4 8388 B17R2.5274 Fc1c(cccc1SCc2ccccn2)Br 62a_100000721315_100000702267 [0,2,0,0,0,0|2,0,0]=4 8389 B17R2.5274 Fc1c(cccc1SCc2ccccn2)Cl 62a_100000721315_100011217346 [0,2,0,0,0,0|2,0,0]=4 8390 B17R2.5274 Fc1c(cccc1SCc2ccccn2)Cl 62a_100011217346_100000721315 [0,2,0,0,0,0|2,0,0]=4 8391 B17R2.5274 Fc1c(cccc1SCc2cccnc2)Br 62a_100000702267_100000741622 [0,2,0,0,0,0|2,0,0]=4 8392 B17R2.5274 Fc1c(cccc1SCc2cccnc2)Br 62a_100000741622_100000702267 [0,2,0,0,0,0|2,0,0]=4 8393 B17R2.5274 Fc1c(cccc1SCc2cccnc2)Cl 62a_100000741622_100011217346 [0,2,0,0,0,0|2,0,0]=4 8394 B17R2.5274 Fc1c(cccc1SCc2cccnc2)Cl 62a_100011217346_100000741622 [0,2,0,0,0,0|2,0,0]=4 8395 B17R2.5274 Fc1c(cccc1SCc2ccncc2)Br 62a_100000702267_100015193705 [0,2,0,0,0,0|2,0,0]=4 8396 B17R2.5274 Fc1c(cccc1SCc2ccncc2)Br 62a_100015193705_100000702267 [0,2,0,0,0,0|2,0,0]=4 8397 B17R2.5274 Fc1c(cccc1SCc2ccncc2)Cl 62a_100011217346_100015193705 [0,2,0,0,0,0|2,0,0]=4 8398 B17R2.5274 Fc1c(cccc1SCc2ccncc2)Cl 62a_100015193705_100011217346 [0,2,0,0,0,0|2,0,0]=4 8399 B17R2.5274 Fc1c(ccnc1Br)SCc2ccccc2 62a_100000211182_200015269031 [0,2,0,0,0,0|2,0,0]=4 8400 B17R2.5274 Fc1c(ccnc1Br)SCc2ccccc2 62a_200015269031_100015291786 [0,2,0,0,0,0|2,0,0]=4 8401 B17R2.5274 Fc1c(ccnc1Cl)SCc2ccccc2 62a_100000211182_100010150473 [0,2,0,0,0,0|2,0,0]=4 8402 B17R2.5274 Fc1c(ccnc1Cl)SCc2ccccc2 62a_100010150473_100015291786 [0,2,0,0,0,0|2,0,0]=4 8403 B17R2.5274 Fc1cccc(c1Br)CNc2ccccc2 207a_100000106764_100011934749 [0,2,0,0,0,0|2,0,0]=4 8404 B17R2.5274 Fc1cccc(c1Br)CNc2ccccc2 270302a_100000106764_100011934749 [0,2,0,0,0,0|2,0,0]=4 8405 B17R2.5274 Fc1cccc(c1Br)CNc2ccccc2 34a_100000106764_100012351116 [0,2,0,0,0,0|2,0,0]=4 8406 B17R2.5274 Fc1cccc(c1Br)COc2ccccc2 34a_100000210340_100012351116 [0,2,0,0,0,0|1,1,0]=4 8407 B17R2.5274 Fc1cccc(c1Br)COc2ccccc2 7a_100000210340_100012351116 [0,2,0,0,0,0|1,1,0]=4 8408 B17R2.5274 Fc1cccc(c1Br)CSc2ccccc2 62a_100000719477_100012351116 [0,2,0,0,0,0|1,0,0]=3 8409 B17R2.5274 Fc1cccc(c1Br)CSc2ccccc2 62a_100012351116_100000041952 [0,2,0,0,0,0|1,0,0]=3 8410 B17R2.5274 Fc1cccc(c1Br)CSc2ccccn2 62a_100011216584_100012351116 [0,2,0,0,0,0|2,0,0]=4 8411 B17R2.5274 Fc1cccc(c1Br)CSc2ccccn2 62a_100012351116_100011216584 [0,2,0,0,0,0|2,0,0]=4 8412 B17R2.5274 Fc1cccc(c1Br)CSc2cccnc2 62a_100000210063_100012351116 [0,2,0,0,0,0|2,0,0]=4 8413 B17R2.5274 Fc1cccc(c1Br)CSc2cccnc2 62a_100012351116_100000210063 [0,2,0,0,0,0|2,0,0]=4 8414 B17R2.5274 Fc1cccc(c1Br)CSc2ccncc2 62a_100000728582_100012351116 [0,2,0,0,0,0|2,0,0]=4 8415 B17R2.5274 Fc1cccc(c1Br)CSc2ccncc2 62a_100012351116_100000728582 [0,2,0,0,0,0|2,0,0]=4 8416 B17R2.5274 Fc1cccc(c1Br)NCc2ccccc2 270302a_100011934729_100015611070 [0,2,0,0,0,0|2,0,0]=4 8417 B17R2.5274 Fc1cccc(c1Br)NCc2ccccc2 34a_100011934729_100015291786 [0,2,0,0,0,0|2,0,0]=4 8418 B17R2.5274 Fc1cccc(c1Br)OCc2ccccc2 34a_100009820682_100015291786 [0,2,0,0,0,0|1,1,0]=4 8419 B17R2.5274 Fc1cccc(c1Br)OCc2ccccc2 7a_100009820682_100000211182 [0,2,0,0,0,0|1,1,0]=4 8420 B17R2.5274 Fc1cccc(c1Br)SCc2ccccc2 62a_100000211182_100010202630 [0,2,0,0,0,0|1,0,0]=3 8421 B17R2.5274 Fc1cccc(c1Br)SCc2ccccc2 62a_100010202630_100015291786 [0,2,0,0,0,0|1,0,0]=3 8422 B17R2.5274 Fc1cccc(c1Br)SCc2ccccn2 62a_100000721315_100010202630 [0,2,0,0,0,0|2,0,0]=4 8423 B17R2.5274 Fc1cccc(c1Br)SCc2ccccn2 62a_100010202630_100000721315 [0,2,0,0,0,0|2,0,0]=4 8424 B17R2.5274 Fc1cccc(c1Br)SCc2cccnc2 62a_100000741622_100010202630 [0,2,0,0,0,0|2,0,0]=4 8425 B17R2.5274 Fc1cccc(c1Br)SCc2cccnc2 62a_100010202630_100000741622 [0,2,0,0,0,0|2,0,0]=4 8426 B17R2.5274 Fc1cccc(c1Br)SCc2ccncc2 62a_100010202630_100015193705 [0,2,0,0,0,0|2,0,0]=4 8427 B17R2.5274 Fc1cccc(c1Br)SCc2ccncc2 62a_100015193705_100010202630 [0,2,0,0,0,0|2,0,0]=4 8428 B17R2.5274 Fc1cccc(c1Cl)C#Cc2ccccc2 271570a_100000069678_200010234923 [0,2,0,0,0,0|2,0,0]=4 8429 B17R2.5274 Fc1cccc(c1Cl)C=Cc2ccccc2 271570a_100102527694_200010234923 [0,2,0,0,0,0|2,0,0]=4 8430 B17R2.5274 Fc1cccc(c1Cl)CNc2ccccc2 207a_100000106764_100011998484 [0,2,0,0,0,0|2,0,0]=4 8431 B17R2.5274 Fc1cccc(c1Cl)CNc2ccccc2 270302a_100000106764_100011998484 [0,2,0,0,0,0|2,0,0]=4 8432 B17R2.5274 Fc1cccc(c1Cl)CNc2ccccc2 34a_100000106764_100000696688 [0,2,0,0,0,0|2,0,0]=4 8433 B17R2.5274 Fc1cccc(c1Cl)COc2ccccc2 34a_100000210340_100000696688 [0,2,0,0,0,0|1,1,0]=4 8434 B17R2.5274 Fc1cccc(c1Cl)COc2ccccc2 7a_100000210340_100000696688 [0,2,0,0,0,0|1,1,0]=4 8435 B17R2.5274 Fc1cccc(c1Cl)CSc2ccccc2 62a_100000696688_100000041952 [0,2,0,0,0,0|1,0,0]=3 8436 B17R2.5274 Fc1cccc(c1Cl)CSc2ccccc2 62a_100000719477_100000696688 [0,2,0,0,0,0|1,0,0]=3 8437 B17R2.5274 Fc1cccc(c1Cl)CSc2ccccn2 62a_100000696688_100011216584 [0,2,0,0,0,0|2,0,0]=4 8438 B17R2.5274 Fc1cccc(c1Cl)CSc2ccccn2 62a_100011216584_100000696688 [0,2,0,0,0,0|2,0,0]=4 8439 B17R2.5274 Fc1cccc(c1Cl)CSc2cccnc2 62a_100000210063_100000696688 [0,2,0,0,0,0|2,0,0]=4 8440 B17R2.5274 Fc1cccc(c1Cl)CSc2cccnc2 62a_100000696688_100000210063 [0,2,0,0,0,0|2,0,0]=4 8441 B17R2.5274 Fc1cccc(c1Cl)CSc2ccncc2 62a_100000696688_100000728582 [0,2,0,0,0,0|2,0,0]=4 8442 B17R2.5274 Fc1cccc(c1Cl)CSc2ccncc2 62a_100000728582_100000696688 [0,2,0,0,0,0|2,0,0]=4 8443 B17R2.5274 Fc1cccc(c1Cl)NCc2ccccc2 270302a_100000692321_100015611070 [0,2,0,0,0,0|2,0,0]=4 8444 B17R2.5274 Fc1cccc(c1Cl)NCc2ccccc2 34a_100000692321_100015291786 [0,2,0,0,0,0|2,0,0]=4 8445 B17R2.5274 Fc1cccc(c1Cl)OCc2ccccc2 34a_100000087408_100015291786 [0,2,0,0,0,0|1,1,0]=4 8446 B17R2.5274 Fc1cccc(c1Cl)OCc2ccccc2 7a_100000087408_100000211182 [0,2,0,0,0,0|1,1,0]=4 8447 B17R2.5274 Fc1cccc(c1Cl)SCc2ccccc2 62a_100000211182_200010234923 [0,2,0,0,0,0|1,0,0]=3 8448 B17R2.5274 Fc1cccc(c1Cl)SCc2ccccc2 62a_200010234923_100015291786 [0,2,0,0,0,0|1,0,0]=3 8449 B17R2.5274 Fc1cccc(c1Cl)SCc2ccccn2 62a_100000721315_200010234923 [0,2,0,0,0,0|2,0,0]=4 8450 B17R2.5274 Fc1cccc(c1Cl)SCc2ccccn2 62a_200010234923_100000721315 [0,2,0,0,0,0|2,0,0]=4 8451 B17R2.5274 Fc1cccc(c1Cl)SCc2cccnc2 62a_100000741622_200010234923 [0,2,0,0,0,0|2,0,0]=4 8452 B17R2.5274 Fc1cccc(c1Cl)SCc2cccnc2 62a_200010234923_100000741622 [0,2,0,0,0,0|2,0,0]=4 8453 B17R2.5274 Fc1cccc(c1Cl)SCc2ccncc2 62a_100015193705_200010234923 [0,2,0,0,0,0|2,0,0]=4 8454 B17R2.5274 Fc1cccc(c1Cl)SCc2ccncc2 62a_200010234923_100015193705 [0,2,0,0,0,0|2,0,0]=4 8455 B17R2.5274 Fc1cccc(c1F)C#Cc2ccccc2 271570a_100000069678_100000694657 [0,2,0,0,0,0|2,0,0]=4 8456 B17R2.5274 Fc1cccc(c1F)C=Cc2ccccc2 271570a_100102527694_100000694657 [0,2,0,0,0,0|2,0,0]=4 8457 B17R2.5274 Fc1cccc(c1F)CNc2ccccc2 207a_100000106764_100000753312 [0,2,0,0,0,0|2,0,0]=4 8458 B17R2.5274 Fc1cccc(c1F)CNc2ccccc2 270302a_100000106764_100000753312 [0,2,0,0,0,0|2,0,0]=4 8459 B17R2.5274 Fc1cccc(c1F)CNc2ccccc2 34a_100000106764_100000217499 [0,2,0,0,0,0|2,0,0]=4 8460 B17R2.5274 Fc1cccc(c1F)COc2ccccc2 34a_100000210340_100000217499 [0,2,0,0,0,0|1,1,0]=4 8461 B17R2.5274 Fc1cccc(c1F)COc2ccccc2 7a_100000210340_100000217499 [0,2,0,0,0,0|1,1,0]=4 8462 B17R2.5274 Fc1cccc(c1F)CSc2ccccc2 62a_100000217499_100000041952 [0,2,0,0,0,0|1,0,0]=3 8463 B17R2.5274 Fc1cccc(c1F)CSc2ccccc2 62a_100000719477_100000217499 [0,2,0,0,0,0|1,0,0]=3 8464 B17R2.5274 Fc1cccc(c1F)CSc2ccccn2 62a_100000217499_100011216584 [0,2,0,0,0,0|2,0,0]=4 8465 B17R2.5274 Fc1cccc(c1F)CSc2ccccn2 62a_100011216584_100000217499 [0,2,0,0,0,0|2,0,0]=4 8466 B17R2.5274 Fc1cccc(c1F)CSc2cccnc2 62a_100000210063_100000217499 [0,2,0,0,0,0|2,0,0]=4 8467 B17R2.5274 Fc1cccc(c1F)CSc2cccnc2 62a_100000217499_100000210063 [0,2,0,0,0,0|2,0,0]=4 8468 B17R2.5274 Fc1cccc(c1F)CSc2ccncc2 62a_100000217499_100000728582 [0,2,0,0,0,0|2,0,0]=4 8469 B17R2.5274 Fc1cccc(c1F)CSc2ccncc2 62a_100000728582_100000217499 [0,2,0,0,0,0|2,0,0]=4 8470 B17R2.5274 Fc1cccc(c1F)NCc2ccccc2 270302a_100000743855_100015611070 [0,2,0,0,0,0|2,0,0]=4 8471 B17R2.5274 Fc1cccc(c1F)NCc2ccccc2 34a_100000743855_100015291786 [0,2,0,0,0,0|2,0,0]=4 8472 B17R2.5274 Fc1cccc(c1F)OCc2ccccc2 34a_100000751161_100015291786 [0,2,0,0,0,0|1,1,0]=4 8473 B17R2.5274 Fc1cccc(c1F)OCc2ccccc2 7a_100000751161_100000211182 [0,2,0,0,0,0|1,1,0]=4 8474 B17R2.5274 Fc1cccc(c1F)SCc2ccccc2 62a_100000211182_100000694657 [0,2,0,0,0,0|1,0,0]=3 8475 B17R2.5274 Fc1cccc(c1F)SCc2ccccc2 62a_100000694657_100015291786 [0,2,0,0,0,0|1,0,0]=3 8476 B17R2.5274 Fc1cccc(c1F)SCc2ccccn2 62a_100000694657_100000721315 [0,2,0,0,0,0|2,0,0]=4 8477 B17R2.5274 Fc1cccc(c1F)SCc2ccccn2 62a_100000721315_100000694657 [0,2,0,0,0,0|2,0,0]=4 8478 B17R2.5274 Fc1cccc(c1F)SCc2cccnc2 62a_100000694657_100000741622 [0,2,0,0,0,0|2,0,0]=4 8479 B17R2.5274 Fc1cccc(c1F)SCc2cccnc2 62a_100000741622_100000694657 [0,2,0,0,0,0|2,0,0]=4 8480 B17R2.5274 Fc1cccc(c1F)SCc2ccncc2 62a_100000694657_100015193705 [0,2,0,0,0,0|2,0,0]=4 8481 B17R2.5274 Fc1cccc(c1F)SCc2ccncc2 62a_100015193705_100000694657 [0,2,0,0,0,0|2,0,0]=4 8482 B17R2.5274 Fc1cccc(c1I)CNc2ccccc2 207a_100000106764_100010186293 [0,2,0,0,0,0|2,0,0]=4 8483 B17R2.5274 Fc1cccc(c1I)CNc2ccccc2 34a_100000106764_100010149603 [0,2,0,0,0,0|2,0,0]=4 8484 B17R2.5274 Fc1cccc(c1I)COc2ccccc2 34a_100000210340_100010149603 [0,2,0,0,0,0|1,1,0]=4 8485 B17R2.5274 Fc1cccc(c1I)COc2ccccc2 7a_100000210340_100010149603 [0,2,0,0,0,0|1,1,0]=4 8486 B17R2.5274 Fc1cccc(c1I)CSc2ccccc2 62a_100000719477_100010149603 [0,2,0,0,0,0|1,0,0]=3 8487 B17R2.5274 Fc1cccc(c1I)CSc2ccccc2 62a_100010149603_100000041952 [0,2,0,0,0,0|1,0,0]=3 8488 B17R2.5274 Fc1cccc(c1I)CSc2ccccn2 62a_100010149603_100011216584 [0,2,0,0,0,0|2,0,0]=4 8489 B17R2.5274 Fc1cccc(c1I)CSc2ccccn2 62a_100011216584_100010149603 [0,2,0,0,0,0|2,0,0]=4 8490 B17R2.5274 Fc1cccc(c1I)CSc2cccnc2 62a_100000210063_100010149603 [0,2,0,0,0,0|2,0,0]=4 8491 B17R2.5274 Fc1cccc(c1I)CSc2cccnc2 62a_100010149603_100000210063 [0,2,0,0,0,0|2,0,0]=4 8492 B17R2.5274 Fc1cccc(c1I)CSc2ccncc2 62a_100000728582_100010149603 [0,2,0,0,0,0|2,0,0]=4 8493 B17R2.5274 Fc1cccc(c1I)CSc2ccncc2 62a_100010149603_100000728582 [0,2,0,0,0,0|2,0,0]=4 8494 B17R2.5274 Fc1cccc(c1I)NCc2ccccc2 34a_100000690935_100015291786 [0,2,0,0,0,0|2,0,0]=4 8495 B17R2.5274 Fc1cccc(c1I)OCc2ccccc2 34a_100000690913_100015291786 [0,2,0,0,0,0|1,1,0]=4 8496 B17R2.5274 Fc1cccc(c1I)OCc2ccccc2 7a_100000690913_100000211182 [0,2,0,0,0,0|1,1,0]=4 8497 B17R2.5274 Fc1nccc(c1Br)SCc2ccccc2 62a_100000211182_100010006599 [0,2,0,0,0,0|2,0,0]=4 8498 B17R2.5274 Fc1nccc(c1Br)SCc2ccccc2 62a_100010006599_100015291786 [0,2,0,0,0,0|2,0,0]=4 8499 B17R2.5274 Fc1nccc(c1Cl)SCc2ccccc2 62a_100000211182_100010067886 [0,2,0,0,0,0|2,0,0]=4 8500 B17R2.5274 Fc1nccc(c1Cl)SCc2ccccc2 62a_100010067886_100015291786 [0,2,0,0,0,0|2,0,0]=4 8501 B17R2.5274 Fc1nccc(c1F)SCc2ccccc2 62a_100000211182_100010214882 [0,2,0,0,0,0|2,0,0]=4 8502 B17R2.5274 Fc1nccc(c1F)SCc2ccccc2 62a_100010214882_100015291786 [0,2,0,0,0,0|2,0,0]=4 8503 B17R2.5274 Nc1c(cccc1C#Cc2ccccc2)Br 271570a_100000069678_100010146558 [0,2,0,0,0,0|2,0,0]=4 8504 B17R2.5274 Nc1c(cccc1C#Cc2ccccc2)Cl 271570a_100000069678_100010190421 [0,2,0,0,0,0|2,0,0]=4 8505 B17R2.5274 Nc1c(cccc1C#Cc2ccccc2)F 271570a_100000069678_100000042321 [0,2,0,0,0,0|2,0,0]=4 8506 B17R2.5274 Nc1c(cccc1C#Cc2ccccc2)O 271570a_100000069678_100011934926 [0,2,0,0,0,0|2,0,0]=4 8507 B17R2.5274 Nc1c(cccc1C=Cc2ccccc2)Br 271570a_100102527694_100010146558 [0,2,0,0,0,0|2,0,0]=4 8508 B17R2.5274 Nc1c(cccc1C=Cc2ccccc2)Cl 271570a_100102527694_100010190421 [0,2,0,0,0,0|2,0,0]=4 8509 B17R2.5274 Nc1c(cccc1C=Cc2ccccc2)F 271570a_100102527694_100000042321 [0,2,0,0,0,0|2,0,0]=4 8510 B17R2.5274 Nc1c(cccc1C=Cc2ccccc2)O 271570a_100102527694_100011934926 [0,2,0,0,0,0|2,0,0]=4 8511 B17R2.5274 Nc1c(cccc1OCc2ccccc2)Br 34a_100011934926_100015291786 [0,2,0,0,0,0|1,1,0]=4 8512 B17R2.5274 Nc1c(cccc1OCc2ccccc2)Br 7a_100011934926_100000211182 [0,2,0,0,0,0|1,1,0]=4 8513 B17R2.5274 Nc1c(cccc1OCc2ccccc2)Cl 34a_100012022510_100015291786 [0,2,0,0,0,0|1,1,0]=4 8514 B17R2.5274 Nc1c(cccc1OCc2ccccc2)Cl 7a_100012022510_100000211182 [0,2,0,0,0,0|1,1,0]=4 8515 B17R2.5274 Nc1c(cccc1OCc2ccccc2)F 34a_100020591140_100015291786 [0,2,0,0,0,0|1,1,0]=4 8516 B17R2.5274 Nc1c(cccc1OCc2ccccc2)F 7a_100020591140_100000211182 [0,2,0,0,0,0|1,1,0]=4 8517 B17R2.5274 Nc1c(cccc1OCc2ccccc2)I 34a_200000049512_100015291786 [0,2,0,0,0,0|1,1,0]=4 8518 B17R2.5274 Nc1c(cccc1OCc2ccccc2)I 7a_200000049512_100000211182 [0,2,0,0,0,0|1,1,0]=4 8519 B17R2.5274 Nc1c(cccc1SCc2ccccc2)Br 62a_100000211182_100010146558 [0,2,0,0,0,0|1,0,0]=3 8520 B17R2.5274 Nc1c(cccc1SCc2ccccc2)Br 62a_100010146558_100015291786 [0,2,0,0,0,0|1,0,0]=3 8521 B17R2.5274 Nc1c(cccc1SCc2ccccc2)Cl 62a_100000211182_100010190421 [0,2,0,0,0,0|1,0,0]=3 8522 B17R2.5274 Nc1c(cccc1SCc2ccccc2)Cl 62a_100010190421_100015291786 [0,2,0,0,0,0|1,0,0]=3 8523 B17R2.5274 Nc1c(cccc1SCc2ccccc2)F 62a_100000042321_100015291786 [0,2,0,0,0,0|1,0,0]=3 8524 B17R2.5274 Nc1c(cccc1SCc2ccccc2)F 62a_100000211182_100000042321 [0,2,0,0,0,0|1,0,0]=3 8525 B17R2.5274 Nc1c(cccc1SCc2ccccc2)O 62a_100000211182_100011934926 [0,2,0,0,0,0|1,0,0]=3 8526 B17R2.5274 Nc1c(cccc1SCc2ccccn2)Br 62a_100000721315_100010146558 [0,2,0,0,0,0|2,0,0]=4 8527 B17R2.5274 Nc1c(cccc1SCc2ccccn2)Br 62a_100010146558_100000721315 [0,2,0,0,0,0|2,0,0]=4 8528 B17R2.5274 Nc1c(cccc1SCc2ccccn2)Cl 62a_100000721315_100010190421 [0,2,0,0,0,0|2,0,0]=4 8529 B17R2.5274 Nc1c(cccc1SCc2ccccn2)Cl 62a_100010190421_100000721315 [0,2,0,0,0,0|2,0,0]=4 8530 B17R2.5274 Nc1c(cccc1SCc2ccccn2)F 62a_100000042321_100000721315 [0,2,0,0,0,0|2,0,0]=4 8531 B17R2.5274 Nc1c(cccc1SCc2ccccn2)F 62a_100000721315_100000042321 [0,2,0,0,0,0|2,0,0]=4 8532 B17R2.5274 Nc1c(cccc1SCc2ccccn2)O 62a_100000721315_100011934926 [0,2,0,0,0,0|2,0,0]=4 8533 B17R2.5274 Nc1c(cccc1SCc2cccnc2)Br 62a_100000741622_100010146558 [0,2,0,0,0,0|2,0,0]=4 8534 B17R2.5274 Nc1c(cccc1SCc2cccnc2)Br 62a_100010146558_100000741622 [0,2,0,0,0,0|2,0,0]=4 8535 B17R2.5274 Nc1c(cccc1SCc2cccnc2)Cl 62a_100000741622_100010190421 [0,2,0,0,0,0|2,0,0]=4 8536 B17R2.5274 Nc1c(cccc1SCc2cccnc2)Cl 62a_100010190421_100000741622 [0,2,0,0,0,0|2,0,0]=4 8537 B17R2.5274 Nc1c(cccc1SCc2cccnc2)F 62a_100000042321_100000741622 [0,2,0,0,0,0|2,0,0]=4 8538 B17R2.5274 Nc1c(cccc1SCc2cccnc2)F 62a_100000741622_100000042321 [0,2,0,0,0,0|2,0,0]=4 8539 B17R2.5274 Nc1c(cccc1SCc2cccnc2)O 62a_100000741622_100011934926 [0,2,0,0,0,0|2,0,0]=4 8540 B17R2.5274 Nc1c(cccc1SCc2ccncc2)Br 62a_100010146558_100015193705 [0,2,0,0,0,0|2,0,0]=4 8541 B17R2.5274 Nc1c(cccc1SCc2ccncc2)Br 62a_100015193705_100010146558 [0,2,0,0,0,0|2,0,0]=4 8542 B17R2.5274 Nc1c(cccc1SCc2ccncc2)Cl 62a_100010190421_100015193705 [0,2,0,0,0,0|2,0,0]=4 8543 B17R2.5274 Nc1c(cccc1SCc2ccncc2)Cl 62a_100015193705_100010190421 [0,2,0,0,0,0|2,0,0]=4 8544 B17R2.5274 Nc1c(cccc1SCc2ccncc2)F 62a_100000042321_100015193705 [0,2,0,0,0,0|2,0,0]=4 8545 B17R2.5274 Nc1c(cccc1SCc2ccncc2)F 62a_100015193705_100000042321 [0,2,0,0,0,0|2,0,0]=4 8546 B17R2.5274 Nc1c(cccc1SCc2ccncc2)O 62a_100015193705_100011934926 [0,2,0,0,0,0|2,0,0]=4 8547 B17R2.5274 Nc1c(cncc1SCc2ccccc2)Br 62a_100000211182_100011290786 [0,2,0,0,0,0|2,0,0]=4 8548 B17R2.5274 Nc1c(cncc1SCc2ccccc2)Br 62a_100011290786_100015291786 [0,2,0,0,0,0|2,0,0]=4 8549 B17R2.5274 Nc1c(cncc1SCc2ccccc2)Cl 62a_100000211182_100000684942 [0,2,0,0,0,0|2,0,0]=4 8550 B17R2.5274 Nc1c(cncc1SCc2ccccc2)Cl 62a_100000684942_100015291786 [0,2,0,0,0,0|2,0,0]=4 8551 B17R2.5274 Nc1c(cncc1SCc2ccccc2)F 62a_100000211182_100009880649 [0,2,0,0,0,0|2,0,0]=4 8552 B17R2.5274 Nc1c(cncc1SCc2ccccc2)F 62a_100009880649_100015291786 [0,2,0,0,0,0|2,0,0]=4 8553 B17R2.5274 Nc1cccc(c1Br)OCc2ccccc2 34a_100012183704_100015291786 [0,2,0,0,0,0|1,1,0]=4 8554 B17R2.5274 Nc1cccc(c1Br)OCc2ccccc2 7a_100012183704_100000211182 [0,2,0,0,0,0|1,1,0]=4 8555 B17R2.5274 Nc1cccc(c1Cl)OCc2ccccc2 34a_100012002038_100015291786 [0,2,0,0,0,0|1,1,0]=4 8556 B17R2.5274 Nc1cccc(c1Cl)OCc2ccccc2 7a_100012002038_100000211182 [0,2,0,0,0,0|1,1,0]=4 8557 B17R2.5274 Nc1cccc(c1F)C#Cc2ccccc2 271570a_100000069678_100011935091 [0,2,0,0,0,0|2,0,0]=4 8558 B17R2.5274 Nc1cccc(c1F)C=Cc2ccccc2 271570a_100102527694_100011935091 [0,2,0,0,0,0|2,0,0]=4 8559 B17R2.5274 Nc1cccc(c1F)SCc2ccccc2 62a_100000211182_100011935091 [0,2,0,0,0,0|1,0,0]=3 8560 B17R2.5274 Nc1cccc(c1F)SCc2ccccc2 62a_100011935091_100015291786 [0,2,0,0,0,0|1,0,0]=3 8561 B17R2.5274 Nc1cccc(c1F)SCc2ccccn2 62a_100000721315_100011935091 [0,2,0,0,0,0|2,0,0]=4 8562 B17R2.5274 Nc1cccc(c1F)SCc2ccccn2 62a_100011935091_100000721315 [0,2,0,0,0,0|2,0,0]=4 8563 B17R2.5274 Nc1cccc(c1F)SCc2cccnc2 62a_100000741622_100011935091 [0,2,0,0,0,0|2,0,0]=4 8564 B17R2.5274 Nc1cccc(c1F)SCc2cccnc2 62a_100011935091_100000741622 [0,2,0,0,0,0|2,0,0]=4 8565 B17R2.5274 Nc1cccc(c1F)SCc2ccncc2 62a_100011935091_100015193705 [0,2,0,0,0,0|2,0,0]=4 8566 B17R2.5274 Nc1cccc(c1F)SCc2ccncc2 62a_100015193705_100011935091 [0,2,0,0,0,0|2,0,0]=4 8567 B17R2.5274 Nc1cccc(c1N)C#Cc2ccccc2 271570a_100000069678_100015191791 [0,2,0,0,0,0|2,0,0]=4 8568 B17R2.5274 Nc1cccc(c1N)C=Cc2ccccc2 271570a_100102527694_100015191791 [0,2,0,0,0,0|2,0,0]=4 8569 B17R2.5274 Nc1cccc(c1N)OCc2ccccc2 34a_100000033209_100015291786 [0,2,0,0,0,0|1,1,0]=4 8570 B17R2.5274 Nc1cccc(c1N)SCc2ccccc2 62a_100015191791_100015291786 [0,2,0,0,0,0|1,0,0]=3 8571 B17R2.5274 Nc1cccc(c1N)SCc2ccccn2 62a_100015191791_100000721315 [0,2,0,0,0,0|2,0,0]=4 8572 B17R2.5274 Nc1cccc(c1N)SCc2cccnc2 62a_100015191791_100000741622 [0,2,0,0,0,0|2,0,0]=4 8573 B17R2.5274 Nc1cccc(c1N)SCc2ccncc2 62a_100015191791_100015193705 [0,2,0,0,0,0|2,0,0]=4 8574 B17R2.5274 Nc1cccc(c1O)C#Cc2ccccc2 271570a_100000069678_100011934915 [0,2,0,0,0,0|2,0,0]=4 8575 B17R2.5274 Nc1cccc(c1O)C=Cc2ccccc2 271570a_100102527694_100011934915 [0,2,0,0,0,0|2,0,0]=4 8576 B17R2.5274 Nc1cccc(c1O)SCc2ccccc2 62a_100000211182_100010084371 [0,2,0,0,0,0|1,0,0]=3 8577 B17R2.5274 Nc1cccc(c1O)SCc2ccccc2 62a_100011934915_100015291786 [0,2,0,0,0,0|1,0,0]=3 8578 B17R2.5274 Nc1cccc(c1O)SCc2ccccn2 62a_100000721315_100010084371 [0,2,0,0,0,0|2,0,0]=4 8579 B17R2.5274 Nc1cccc(c1O)SCc2ccccn2 62a_100011934915_100000721315 [0,2,0,0,0,0|2,0,0]=4 8580 B17R2.5274 Nc1cccc(c1O)SCc2cccnc2 62a_100000741622_100010084371 [0,2,0,0,0,0|2,0,0]=4 8581 B17R2.5274 Nc1cccc(c1O)SCc2cccnc2 62a_100011934915_100000741622 [0,2,0,0,0,0|2,0,0]=4 8582 B17R2.5274 Nc1cccc(c1O)SCc2ccncc2 62a_100011934915_100015193705 [0,2,0,0,0,0|2,0,0]=4 8583 B17R2.5274 Nc1cccc(c1O)SCc2ccncc2 62a_100015193705_100010084371 [0,2,0,0,0,0|2,0,0]=4 8584 B17R2.5274 Nc1ccnc(c1F)SCc2ccccc2 62a_100000211182_100015205195 [0,2,0,0,0,0|2,0,0]=4 8585 B17R2.5274 Nc1ccnc(c1F)SCc2ccccc2 62a_100015205195_100015291786 [0,2,0,0,0,0|2,0,0]=4 8586 B17R2.5274 Nc1ccnc(c1N)SCc2ccccc2 62a_100000085203_100015291786 [0,2,0,0,0,0|2,0,0]=4 8587 B17R2.5274 Nc1ccnc(c1N)SCc2ccccc2 62a_100000211182_100000085203 [0,2,0,0,0,0|2,0,0]=4 8588 B17R2.5274 Nc1ccnc(c1O)SCc2ccccc2 62a_100000211182_100009844647 [0,2,0,0,0,0|2,0,0]=4 8589 B17R2.5274 Nc1cncc(c1N)SCc2ccccc2 62a_100000211182_100000694774 [0,2,0,0,0,0|2,0,0]=4 8590 B17R2.5274 Nc1cncc(c1N)SCc2ccccc2 62a_100000694774_100015291786 [0,2,0,0,0,0|2,0,0]=4 8591 B17R2.5274 Nc1cncc(c1O)SCc2ccccc2 62a_100000211182_100000694263 [0,2,0,0,0,0|2,0,0]=4 8592 B17R2.5274 Nc1cncc(c1O)SCc2ccccc2 62a_100000694263_100015291786 [0,2,0,0,0,0|2,0,0]=4 8593 B17R2.5274 Nc1nccc(c1Cl)SCc2ccccc2 62a_100000211182_100010735111 [0,2,0,0,0,0|2,0,0]=4 8594 B17R2.5274 Nc1nccc(c1Cl)SCc2ccccc2 62a_100010735111_100015291786 [0,2,0,0,0,0|2,0,0]=4 8595 B17R2.5274 Nc1nccc(c1F)SCc2ccccc2 62a_100000211182_100010077785 [0,2,0,0,0,0|2,0,0]=4 8596 B17R2.5274 Nc1nccc(c1F)SCc2ccccc2 62a_100010077785_100015291786 [0,2,0,0,0,0|2,0,0]=4 8597 B17R2.5274 Nc1nccc(c1N)SCc2ccccc2 62a_100000124095_100015291786 [0,2,0,0,0,0|2,0,0]=4 8598 B17R2.5274 Oc1c(cccc1C#Cc2ccccc2)Br 271570a_100000069678_100010084509 [0,2,0,0,0,0|2,0,0]=4 8599 B17R2.5274 Oc1c(cccc1C#Cc2ccccc2)Cl 271570a_100000069678_100010202889 [0,2,0,0,0,0|2,0,0]=4 8600 B17R2.5274 Oc1c(cccc1C#Cc2ccccc2)F 271570a_100000069678_100009813666 [0,2,0,0,0,0|2,0,0]=4 8601 B17R2.5274 Oc1c(cccc1C=Cc2ccccc2)Br 271570a_100102527694_100010084509 [0,2,0,0,0,0|2,0,0]=4 8602 B17R2.5274 Oc1c(cccc1C=Cc2ccccc2)Cl 271570a_100102527694_100010202889 [0,2,0,0,0,0|2,0,0]=4 8603 B17R2.5274 Oc1c(cccc1C=Cc2ccccc2)F 271570a_100102527694_100009813666 [0,2,0,0,0,0|2,0,0]=4 8604 B17R2.5274 Oc1c(cccc1CNc2ccccc2)F 270302a_100000106764_100000745301 [0,2,0,0,0,0|2,0,0]=4 8605 B17R2.5274 Oc1c(cccc1NCc2ccccc2)Br 34a_100011934915_100015291786 [0,2,0,0,0,0|2,0,0]=4 8606 B17R2.5274 Oc1c(cccc1NCc2ccccc2)Cl 270302a_100000754742_100015611070 [0,2,0,0,0,0|2,0,0]=4 8607 B17R2.5274 Oc1c(cccc1NCc2ccccc2)Cl 34a_100000754742_100015291786 [0,2,0,0,0,0|2,0,0]=4 8608 B17R2.5274 Oc1c(cccc1NCc2ccccc2)F 270302a_100011934987_100015611070 [0,2,0,0,0,0|2,0,0]=4 8609 B17R2.5274 Oc1c(cccc1NCc2ccccc2)F 34a_100011934987_100015291786 [0,2,0,0,0,0|2,0,0]=4 8610 B17R2.5274 Oc1c(cccc1SCc2ccccc2)Br 62a_100000211182_100010084509 [0,2,0,0,0,0|1,0,0]=3 8611 B17R2.5274 Oc1c(cccc1SCc2ccccc2)Br 62a_100010084509_100015291786 [0,2,0,0,0,0|1,0,0]=3 8612 B17R2.5274 Oc1c(cccc1SCc2ccccc2)Cl 62a_100000211182_100010202889 [0,2,0,0,0,0|1,0,0]=3 8613 B17R2.5274 Oc1c(cccc1SCc2ccccc2)Cl 62a_100010202889_100015291786 [0,2,0,0,0,0|1,0,0]=3 8614 B17R2.5274 Oc1c(cccc1SCc2ccccc2)F 62a_100000211182_100009813666 [0,2,0,0,0,0|1,0,0]=3 8615 B17R2.5274 Oc1c(cccc1SCc2ccccc2)F 62a_100009813666_100015291786 [0,2,0,0,0,0|1,0,0]=3 8616 B17R2.5274 Oc1c(cccc1SCc2ccccn2)Br 62a_100000721315_100010084509 [0,2,0,0,0,0|2,0,0]=4 8617 B17R2.5274 Oc1c(cccc1SCc2ccccn2)Br 62a_100010084509_100000721315 [0,2,0,0,0,0|2,0,0]=4 8618 B17R2.5274 Oc1c(cccc1SCc2ccccn2)Cl 62a_100000721315_100010202889 [0,2,0,0,0,0|2,0,0]=4 8619 B17R2.5274 Oc1c(cccc1SCc2ccccn2)Cl 62a_100010202889_100000721315 [0,2,0,0,0,0|2,0,0]=4 8620 B17R2.5274 Oc1c(cccc1SCc2ccccn2)F 62a_100000721315_100009813666 [0,2,0,0,0,0|2,0,0]=4 8621 B17R2.5274 Oc1c(cccc1SCc2ccccn2)F 62a_100009813666_100000721315 [0,2,0,0,0,0|2,0,0]=4 8622 B17R2.5274 Oc1c(cccc1SCc2cccnc2)Br 62a_100000741622_100010084509 [0,2,0,0,0,0|2,0,0]=4 8623 B17R2.5274 Oc1c(cccc1SCc2cccnc2)Br 62a_100010084509_100000741622 [0,2,0,0,0,0|2,0,0]=4 8624 B17R2.5274 Oc1c(cccc1SCc2cccnc2)Cl 62a_100000741622_100010202889 [0,2,0,0,0,0|2,0,0]=4 8625 B17R2.5274 Oc1c(cccc1SCc2cccnc2)Cl 62a_100010202889_100000741622 [0,2,0,0,0,0|2,0,0]=4 8626 B17R2.5274 Oc1c(cccc1SCc2cccnc2)F 62a_100000741622_100009813666 [0,2,0,0,0,0|2,0,0]=4 8627 B17R2.5274 Oc1c(cccc1SCc2cccnc2)F 62a_100009813666_100000741622 [0,2,0,0,0,0|2,0,0]=4 8628 B17R2.5274 Oc1c(cccc1SCc2ccncc2)Br 62a_100010084509_100015193705 [0,2,0,0,0,0|2,0,0]=4 8629 B17R2.5274 Oc1c(cccc1SCc2ccncc2)Br 62a_100015193705_100010084509 [0,2,0,0,0,0|2,0,0]=4 8630 B17R2.5274 Oc1c(cccc1SCc2ccncc2)Cl 62a_100010202889_100015193705 [0,2,0,0,0,0|2,0,0]=4 8631 B17R2.5274 Oc1c(cccc1SCc2ccncc2)Cl 62a_100015193705_100010202889 [0,2,0,0,0,0|2,0,0]=4 8632 B17R2.5274 Oc1c(cccc1SCc2ccncc2)F 62a_100009813666_100015193705 [0,2,0,0,0,0|2,0,0]=4 8633 B17R2.5274 Oc1c(cccc1SCc2ccncc2)F 62a_100015193705_100009813666 [0,2,0,0,0,0|2,0,0]=4 8634 B17R2.5274 Oc1c(ccnc1Cl)SCc2ccccc2 62a_100000211182_100010067911 [0,2,0,0,0,0|2,0,0]=4 8635 B17R2.5274 Oc1c(ccnc1SCc2ccccc2)F 62a_100000211182_100009867227 [0,2,0,0,0,0|2,0,0]=4 8636 B17R2.5274 Oc1cccc(c1Br)C#Cc2ccccc2 271570a_100000069678_100010187914 [0,2,0,0,0,0|2,0,0]=4 8637 B17R2.5274 Oc1cccc(c1Br)C=Cc2ccccc2 271570a_100102527694_100010187914 [0,2,0,0,0,0|2,0,0]=4 8638 B17R2.5274 Oc1cccc(c1Br)NCc2ccccc2 34a_100012183704_100015291786 [0,2,0,0,0,0|2,0,0]=4 8639 B17R2.5274 Oc1cccc(c1Br)NCc2ccccc2 7a_100012183704_100000211182 [0,2,0,0,0,0|2,0,0]=4 8640 B17R2.5274 Oc1cccc(c1Br)SCc2ccccc2 62a_100000211182_100010187914 [0,2,0,0,0,0|1,0,0]=3 8641 B17R2.5274 Oc1cccc(c1Br)SCc2ccccc2 62a_100010187914_100015291786 [0,2,0,0,0,0|1,0,0]=3 8642 B17R2.5274 Oc1cccc(c1Br)SCc2ccccn2 62a_100000721315_100010187914 [0,2,0,0,0,0|2,0,0]=4 8643 B17R2.5274 Oc1cccc(c1Br)SCc2ccccn2 62a_100010187914_100000721315 [0,2,0,0,0,0|2,0,0]=4 8644 B17R2.5274 Oc1cccc(c1Br)SCc2cccnc2 62a_100000741622_100010187914 [0,2,0,0,0,0|2,0,0]=4 8645 B17R2.5274 Oc1cccc(c1Br)SCc2cccnc2 62a_100010187914_100000741622 [0,2,0,0,0,0|2,0,0]=4 8646 B17R2.5274 Oc1cccc(c1Br)SCc2ccncc2 62a_100010187914_100015193705 [0,2,0,0,0,0|2,0,0]=4 8647 B17R2.5274 Oc1cccc(c1Br)SCc2ccncc2 62a_100015193705_100010187914 [0,2,0,0,0,0|2,0,0]=4 8648 B17R2.5274 Oc1cccc(c1Cl)C#Cc2ccccc2 271570a_100000069678_100000049636 [0,2,0,0,0,0|2,0,0]=4 8649 B17R2.5274 Oc1cccc(c1Cl)C=Cc2ccccc2 271570a_100102527694_100000049636 [0,2,0,0,0,0|2,0,0]=4 8650 B17R2.5274 Oc1cccc(c1Cl)NCc2ccccc2 34a_100012002038_100015291786 [0,2,0,0,0,0|2,0,0]=4 8651 B17R2.5274 Oc1cccc(c1Cl)NCc2ccccc2 7a_100012002038_100000211182 [0,2,0,0,0,0|2,0,0]=4 8652 B17R2.5274 Oc1cccc(c1Cl)SCc2ccccc2 62a_100000211182_100000049636 [0,2,0,0,0,0|1,0,0]=3 8653 B17R2.5274 Oc1cccc(c1Cl)SCc2ccccn2 62a_100000721315_100000049636 [0,2,0,0,0,0|2,0,0]=4 8654 B17R2.5274 Oc1cccc(c1Cl)SCc2cccnc2 62a_100000741622_100000049636 [0,2,0,0,0,0|2,0,0]=4 8655 B17R2.5274 Oc1cccc(c1Cl)SCc2ccncc2 62a_100015193705_100000049636 [0,2,0,0,0,0|2,0,0]=4 8656 B17R2.5274 Oc1cccc(c1F)C#Cc2ccccc2 271570a_100000069678_100009817021 [0,2,0,0,0,0|2,0,0]=4 8657 B17R2.5274 Oc1cccc(c1F)C=Cc2ccccc2 271570a_100102527694_100009817021 [0,2,0,0,0,0|2,0,0]=4 8658 B17R2.5274 Oc1cccc(c1F)SCc2ccccc2 62a_100000211182_100009817021 [0,2,0,0,0,0|1,0,0]=3 8659 B17R2.5274 Oc1cccc(c1F)SCc2ccccc2 62a_100009817021_100015291786 [0,2,0,0,0,0|1,0,0]=3 8660 B17R2.5274 Oc1cccc(c1F)SCc2ccccn2 62a_100000721315_100009817021 [0,2,0,0,0,0|2,0,0]=4 8661 B17R2.5274 Oc1cccc(c1F)SCc2ccccn2 62a_100009817021_100000721315 [0,2,0,0,0,0|2,0,0]=4 8662 B17R2.5274 Oc1cccc(c1F)SCc2cccnc2 62a_100000741622_100009817021 [0,2,0,0,0,0|2,0,0]=4 8663 B17R2.5274 Oc1cccc(c1F)SCc2cccnc2 62a_100009817021_100000741622 [0,2,0,0,0,0|2,0,0]=4 8664 B17R2.5274 Oc1cccc(c1F)SCc2ccncc2 62a_100009817021_100015193705 [0,2,0,0,0,0|2,0,0]=4 8665 B17R2.5274 Oc1cccc(c1F)SCc2ccncc2 62a_100015193705_100009817021 [0,2,0,0,0,0|2,0,0]=4 8666 B17R2.5274 Oc1cccc(c1O)C#Cc2ccccc2 271570a_100000069678_100009815950 [0,2,0,0,0,0|2,0,0]=4 8667 B17R2.5274 Oc1cccc(c1O)C=Cc2ccccc2 271570a_100102527694_100009815950 [0,2,0,0,0,0|2,0,0]=4 8668 B17R2.5274 Oc1cccc(c1O)SCc2ccccc2 62a_100000211182_100009815950 [0,2,0,0,0,0|1,0,0]=3 8669 B17R2.5274 Oc1cccc(c1O)SCc2ccccn2 62a_100000721315_100009815950 [0,2,0,0,0,0|2,0,0]=4 8670 B17R2.5274 Oc1cccc(c1O)SCc2cccnc2 62a_100000741622_100009815950 [0,2,0,0,0,0|2,0,0]=4 8671 B17R2.5274 Oc1cccc(c1O)SCc2ccncc2 62a_100015193705_100009815950 [0,2,0,0,0,0|2,0,0]=4 8672 B17R2.5274 Oc1ccnc(c1F)SCc2ccccc2 62a_100000211182_100009876375 [0,2,0,0,0,0|2,0,0]=4 8673 B17R2.5274 Oc1ccnc(c1F)SCc2ccccc2 62a_100009876375_100015291786 [0,2,0,0,0,0|2,0,0]=4 8674 B17R2.5360 Brc1cc(ccc1CNc2ccccc2)I 207a_100000106764_100010185650 [0,2,0,0,0,0|2,0,0]=4 8675 B17R2.5360 Brc1cc(ccc1CNc2ccccc2)I 34a_100000106764_100010146610 [0,2,0,0,0,0|2,0,0]=4 8676 B17R2.5360 Brc1cc(ccc1COc2ccccc2)I 34a_100000210340_100010146610 [0,2,0,0,0,0|1,1,0]=4 8677 B17R2.5360 Brc1cc(ccc1COc2ccccc2)I 7a_100000210340_100010146610 [0,2,0,0,0,0|1,1,0]=4 8678 B17R2.5360 Brc1cc(ccc1CSc2ccccc2)I 62a_100000719477_100010146610 [0,2,0,0,0,0|1,0,0]=3 8679 B17R2.5360 Brc1cc(ccc1CSc2ccccc2)I 62a_100010146610_100000041952 [0,2,0,0,0,0|1,0,0]=3 8680 B17R2.5360 Brc1cc(ccc1CSc2ccccn2)I 62a_100010146610_100011216584 [0,2,0,0,0,0|2,0,0]=4 8681 B17R2.5360 Brc1cc(ccc1CSc2ccccn2)I 62a_100011216584_100010146610 [0,2,0,0,0,0|2,0,0]=4 8682 B17R2.5360 Brc1cc(ccc1CSc2cccnc2)I 62a_100000210063_100010146610 [0,2,0,0,0,0|2,0,0]=4 8683 B17R2.5360 Brc1cc(ccc1CSc2cccnc2)I 62a_100010146610_100000210063 [0,2,0,0,0,0|2,0,0]=4 8684 B17R2.5360 Brc1cc(ccc1CSc2ccncc2)I 62a_100000728582_100010146610 [0,2,0,0,0,0|2,0,0]=4 8685 B17R2.5360 Brc1cc(ccc1CSc2ccncc2)I 62a_100010146610_100000728582 [0,2,0,0,0,0|2,0,0]=4 8686 B17R2.5360 Brc1cc(ccc1OCc2ccccc2)I 34a_100012361655_100015291786 [0,2,0,0,0,0|1,1,0]=4 8687 B17R2.5360 Brc1cc(ccc1OCc2ccccc2)I 7a_100012361655_100000211182 [0,2,0,0,0,0|1,1,0]=4 8688 B17R2.5360 Brc1ccc(c(c1)Br)C#Cc2ccccc2 271570a_100000069678_100011484698 [0,2,0,0,0,0|2,0,0]=4 8689 B17R2.5360 Brc1ccc(c(c1)Br)C=Cc2ccccc2 271570a_100102527694_100011484698 [0,2,0,0,0,0|2,0,0]=4 8690 B17R2.5360 Brc1ccc(c(c1)Br)CNc2ccccc2 207a_100000106764_100012351556 [0,2,0,0,0,0|2,0,0]=4 8691 B17R2.5360 Brc1ccc(c(c1)Br)CNc2ccccc2 270302a_100000106764_100012351556 [0,2,0,0,0,0|2,0,0]=4 8692 B17R2.5360 Brc1ccc(c(c1)Br)CNc2ccccc2 34a_100000106764_200012351560 [0,2,0,0,0,0|2,0,0]=4 8693 B17R2.5360 Brc1ccc(c(c1)Br)COc2ccccc2 34a_100000210340_200012351560 [0,2,0,0,0,0|1,1,0]=4 8694 B17R2.5360 Brc1ccc(c(c1)Br)COc2ccccc2 7a_100000210340_200012351560 [0,2,0,0,0,0|1,1,0]=4 8695 B17R2.5360 Brc1ccc(c(c1)Br)CSc2ccccc2 62a_100000719477_200012351560 [0,2,0,0,0,0|1,0,0]=3 8696 B17R2.5360 Brc1ccc(c(c1)Br)CSc2ccccc2 62a_200012351560_100000041952 [0,2,0,0,0,0|1,0,0]=3 8697 B17R2.5360 Brc1ccc(c(c1)Br)CSc2ccccn2 62a_100011216584_200012351560 [0,2,0,0,0,0|2,0,0]=4 8698 B17R2.5360 Brc1ccc(c(c1)Br)CSc2ccccn2 62a_200012351560_100011216584 [0,2,0,0,0,0|2,0,0]=4 8699 B17R2.5360 Brc1ccc(c(c1)Br)CSc2cccnc2 62a_100000210063_200012351560 [0,2,0,0,0,0|2,0,0]=4 8700 B17R2.5360 Brc1ccc(c(c1)Br)CSc2cccnc2 62a_200012351560_100000210063 [0,2,0,0,0,0|2,0,0]=4 8701 B17R2.5360 Brc1ccc(c(c1)Br)CSc2ccncc2 62a_100000728582_200012351560 [0,2,0,0,0,0|2,0,0]=4 8702 B17R2.5360 Brc1ccc(c(c1)Br)CSc2ccncc2 62a_200012351560_100000728582 [0,2,0,0,0,0|2,0,0]=4 8703 B17R2.5360 Brc1ccc(c(c1)Br)NCc2ccccc2 270302a_100000211012_100015611070 [0,2,0,0,0,0|2,0,0]=4 8704 B17R2.5360 Brc1ccc(c(c1)Br)NCc2ccccc2 34a_100000211012_100015291786 [0,2,0,0,0,0|2,0,0]=4 8705 B17R2.5360 Brc1ccc(c(c1)Br)OCc2ccccc2 34a_100000188717_100015291786 [0,2,0,0,0,0|1,1,0]=4 8706 B17R2.5360 Brc1ccc(c(c1)Br)OCc2ccccc2 7a_100000188717_100000211182 [0,2,0,0,0,0|1,1,0]=4 8707 B17R2.5360 Brc1ccc(c(c1)Br)SCc2ccccc2 62a_100000211182_100011484698 [0,2,0,0,0,0|1,0,0]=3 8708 B17R2.5360 Brc1ccc(c(c1)Br)SCc2ccccc2 62a_100011484698_100015291786 [0,2,0,0,0,0|1,0,0]=3 8709 B17R2.5360 Brc1ccc(c(c1)Br)SCc2ccccn2 62a_100000721315_100011484698 [0,2,0,0,0,0|2,0,0]=4 8710 B17R2.5360 Brc1ccc(c(c1)Br)SCc2ccccn2 62a_100011484698_100000721315 [0,2,0,0,0,0|2,0,0]=4 8711 B17R2.5360 Brc1ccc(c(c1)Br)SCc2cccnc2 62a_100000741622_100011484698 [0,2,0,0,0,0|2,0,0]=4 8712 B17R2.5360 Brc1ccc(c(c1)Br)SCc2cccnc2 62a_100011484698_100000741622 [0,2,0,0,0,0|2,0,0]=4 8713 B17R2.5360 Brc1ccc(c(c1)Br)SCc2ccncc2 62a_100011484698_100015193705 [0,2,0,0,0,0|2,0,0]=4 8714 B17R2.5360 Brc1ccc(c(c1)Br)SCc2ccncc2 62a_100015193705_100011484698 [0,2,0,0,0,0|2,0,0]=4 8715 B17R2.5360 Brc1ccc(c(c1)I)CNc2ccccc2 207a_100000106764_100010146562 [0,2,0,0,0,0|2,0,0]=4 8716 B17R2.5360 Brc1ccc(c(c1)I)CNc2ccccc2 34a_100000106764_100010146615 [0,2,0,0,0,0|2,0,0]=4 8717 B17R2.5360 Brc1ccc(c(c1)I)COc2ccccc2 34a_100000210340_100010146615 [0,2,0,0,0,0|1,1,0]=4 8718 B17R2.5360 Brc1ccc(c(c1)I)COc2ccccc2 7a_100000210340_100010146615 [0,2,0,0,0,0|1,1,0]=4 8719 B17R2.5360 Brc1ccc(c(c1)I)CSc2ccccc2 62a_100000719477_100010146615 [0,2,0,0,0,0|1,0,0]=3 8720 B17R2.5360 Brc1ccc(c(c1)I)CSc2ccccc2 62a_100010146615_100000041952 [0,2,0,0,0,0|1,0,0]=3 8721 B17R2.5360 Brc1ccc(c(c1)I)CSc2ccccn2 62a_100010146615_100011216584 [0,2,0,0,0,0|2,0,0]=4 8722 B17R2.5360 Brc1ccc(c(c1)I)CSc2ccccn2 62a_100011216584_100010146615 [0,2,0,0,0,0|2,0,0]=4 8723 B17R2.5360 Brc1ccc(c(c1)I)CSc2cccnc2 62a_100000210063_100010146615 [0,2,0,0,0,0|2,0,0]=4 8724 B17R2.5360 Brc1ccc(c(c1)I)CSc2cccnc2 62a_100010146615_100000210063 [0,2,0,0,0,0|2,0,0]=4 8725 B17R2.5360 Brc1ccc(c(c1)I)CSc2ccncc2 62a_100000728582_100010146615 [0,2,0,0,0,0|2,0,0]=4 8726 B17R2.5360 Brc1ccc(c(c1)I)CSc2ccncc2 62a_100010146615_100000728582 [0,2,0,0,0,0|2,0,0]=4 8727 B17R2.5360 Brc1ccc(c(c1)I)NCc2ccccc2 34a_100000187925_100015291786 [0,2,0,0,0,0|2,0,0]=4 8728 B17R2.5360 Brc1ccc(c(c1)I)OCc2ccccc2 34a_100012355227_100015291786 [0,2,0,0,0,0|1,1,0]=4 8729 B17R2.5360 Brc1ccc(c(c1)I)OCc2ccccc2 7a_100012355227_100000211182 [0,2,0,0,0,0|1,1,0]=4 8730 B17R2.5360 Cc1c[n+](ccc1SCc2ccccc2)[O-] 62a_100000211182_100000074940 [0,2,0,0,0,0|2,0,0]=4 8731 B17R2.5360 Cc1cc(c(cn1)SCc2ccccc2)C 62a_100000211182_100009819613 [0,2,0,0,0,0|2,0,0]=4 8732 B17R2.5360 Cc1cc(c(cn1)SCc2ccccc2)C 62a_100009819613_100015291786 [0,2,0,0,0,0|2,0,0]=4 8733 B17R2.5360 Cc1cc(c(cn1)SCc2ccccc2)N 62a_100000211182_100009817891 [0,2,0,0,0,0|2,0,0]=4 8734 B17R2.5360 Cc1cc(c(cn1)SCc2ccccc2)N 62a_100009817891_100015291786 [0,2,0,0,0,0|2,0,0]=4 8735 B17R2.5360 Cc1cc(c(cn1)SCc2ccccc2)O 62a_100000211182_100011016184 [0,2,0,0,0,0|2,0,0]=4 8736 B17R2.5360 Cc1cc(c(cn1)SCc2ccccc2)O 62a_100011016184_100015291786 [0,2,0,0,0,0|2,0,0]=4 8737 B17R2.5360 Cc1cc(ccc1C#Cc2ccccc2)Br 271570a_100000069678_100000701812 [0,2,0,0,0,0|2,0,0]=4 8738 B17R2.5360 Cc1cc(ccc1C#Cc2ccccc2)Cl 271570a_100000069678_100011219607 [0,2,0,0,0,0|2,0,0]=4 8739 B17R2.5360 Cc1cc(ccc1C#Cc2ccccc2)F 271570a_100000069678_100011205405 [0,2,0,0,0,0|2,0,0]=4 8740 B17R2.5360 Cc1cc(ccc1C#Cc2ccccc2)N 271570a_100000069678_100000210723 [0,2,0,0,0,0|2,0,0]=4 8741 B17R2.5360 Cc1cc(ccc1C#Cc2ccccc2)O 271570a_100000069678_100000729255 [0,2,0,0,0,0|2,0,0]=4 8742 B17R2.5360 Cc1cc(ccc1C=Cc2ccccc2)Br 271570a_100102527694_100000701812 [0,2,0,0,0,0|2,0,0]=4 8743 B17R2.5360 Cc1cc(ccc1C=Cc2ccccc2)Cl 271570a_100102527694_100011219607 [0,2,0,0,0,0|2,0,0]=4 8744 B17R2.5360 Cc1cc(ccc1C=Cc2ccccc2)F 271570a_100102527694_100011205405 [0,2,0,0,0,0|2,0,0]=4 8745 B17R2.5360 Cc1cc(ccc1C=Cc2ccccc2)N 271570a_100102527694_100000210723 [0,2,0,0,0,0|2,0,0]=4 8746 B17R2.5360 Cc1cc(ccc1C=Cc2ccccc2)O 271570a_100102527694_100000729255 [0,2,0,0,0,0|2,0,0]=4 8747 B17R2.5360 Cc1cc(ccc1CNc2ccccc2)Br 207a_100000106764_100000687586 [0,2,0,0,0,0|2,0,0]=4 8748 B17R2.5360 Cc1cc(ccc1CNc2ccccc2)Br 270302a_100000106764_100000687586 [0,2,0,0,0,0|2,0,0]=4 8749 B17R2.5360 Cc1cc(ccc1CNc2ccccc2)Br 34a_100000106764_100000708836 [0,2,0,0,0,0|2,0,0]=4 8750 B17R2.5360 Cc1cc(ccc1CNc2ccccc2)Cl 207a_100000106764_100000766358 [0,2,0,0,0,0|2,0,0]=4 8751 B17R2.5360 Cc1cc(ccc1CNc2ccccc2)Cl 270302a_100000106764_100000766358 [0,2,0,0,0,0|2,0,0]=4 8752 B17R2.5360 Cc1cc(ccc1CNc2ccccc2)Cl 34a_100000106764_100012361307 [0,2,0,0,0,0|2,0,0]=4 8753 B17R2.5360 Cc1cc(ccc1CNc2ccccc2)F 207a_100000106764_100000745986 [0,2,0,0,0,0|2,0,0]=4 8754 B17R2.5360 Cc1cc(ccc1CNc2ccccc2)F 270302a_100000106764_100000745986 [0,2,0,0,0,0|2,0,0]=4 8755 B17R2.5360 Cc1cc(ccc1CNc2ccccc2)F 34a_100000106764_100000700533 [0,2,0,0,0,0|2,0,0]=4 8756 B17R2.5360 Cc1cc(ccc1COc2ccccc2)Br 34a_100000210340_100000708836 [0,2,0,0,0,0|1,1,0]=4 8757 B17R2.5360 Cc1cc(ccc1COc2ccccc2)Br 7a_100000210340_100000708836 [0,2,0,0,0,0|1,1,0]=4 8758 B17R2.5360 Cc1cc(ccc1COc2ccccc2)Cl 34a_100000210340_100012361307 [0,2,0,0,0,0|1,1,0]=4 8759 B17R2.5360 Cc1cc(ccc1COc2ccccc2)Cl 7a_100000210340_100012361307 [0,2,0,0,0,0|1,1,0]=4 8760 B17R2.5360 Cc1cc(ccc1COc2ccccc2)F 34a_100000210340_100000700533 [0,2,0,0,0,0|1,1,0]=4 8761 B17R2.5360 Cc1cc(ccc1COc2ccccc2)F 7a_100000210340_100000700533 [0,2,0,0,0,0|1,1,0]=4 8762 B17R2.5360 Cc1cc(ccc1CSc2ccccc2)Br 62a_100000708836_100000041952 [0,2,0,0,0,0|1,0,0]=3 8763 B17R2.5360 Cc1cc(ccc1CSc2ccccc2)Br 62a_100000719477_100000708836 [0,2,0,0,0,0|1,0,0]=3 8764 B17R2.5360 Cc1cc(ccc1CSc2ccccc2)Cl 62a_100000719477_100012361307 [0,2,0,0,0,0|1,0,0]=3 8765 B17R2.5360 Cc1cc(ccc1CSc2ccccc2)Cl 62a_100012361307_100000041952 [0,2,0,0,0,0|1,0,0]=3 8766 B17R2.5360 Cc1cc(ccc1CSc2ccccc2)F 62a_100000700533_100000041952 [0,2,0,0,0,0|1,0,0]=3 8767 B17R2.5360 Cc1cc(ccc1CSc2ccccc2)F 62a_100000719477_100000700533 [0,2,0,0,0,0|1,0,0]=3 8768 B17R2.5360 Cc1cc(ccc1CSc2ccccn2)Br 62a_100000708836_100011216584 [0,2,0,0,0,0|2,0,0]=4 8769 B17R2.5360 Cc1cc(ccc1CSc2ccccn2)Br 62a_100011216584_100000708836 [0,2,0,0,0,0|2,0,0]=4 8770 B17R2.5360 Cc1cc(ccc1CSc2ccccn2)Cl 62a_100011216584_100012361307 [0,2,0,0,0,0|2,0,0]=4 8771 B17R2.5360 Cc1cc(ccc1CSc2ccccn2)Cl 62a_100012361307_100011216584 [0,2,0,0,0,0|2,0,0]=4 8772 B17R2.5360 Cc1cc(ccc1CSc2ccccn2)F 62a_100000700533_100011216584 [0,2,0,0,0,0|2,0,0]=4 8773 B17R2.5360 Cc1cc(ccc1CSc2ccccn2)F 62a_100011216584_100000700533 [0,2,0,0,0,0|2,0,0]=4 8774 B17R2.5360 Cc1cc(ccc1CSc2cccnc2)Br 62a_100000210063_100000708836 [0,2,0,0,0,0|2,0,0]=4 8775 B17R2.5360 Cc1cc(ccc1CSc2cccnc2)Br 62a_100000708836_100000210063 [0,2,0,0,0,0|2,0,0]=4 8776 B17R2.5360 Cc1cc(ccc1CSc2cccnc2)Cl 62a_100000210063_100012361307 [0,2,0,0,0,0|2,0,0]=4 8777 B17R2.5360 Cc1cc(ccc1CSc2cccnc2)Cl 62a_100012361307_100000210063 [0,2,0,0,0,0|2,0,0]=4 8778 B17R2.5360 Cc1cc(ccc1CSc2cccnc2)F 62a_100000210063_100000700533 [0,2,0,0,0,0|2,0,0]=4 8779 B17R2.5360 Cc1cc(ccc1CSc2cccnc2)F 62a_100000700533_100000210063 [0,2,0,0,0,0|2,0,0]=4 8780 B17R2.5360 Cc1cc(ccc1CSc2ccncc2)Br 62a_100000708836_100000728582 [0,2,0,0,0,0|2,0,0]=4 8781 B17R2.5360 Cc1cc(ccc1CSc2ccncc2)Br 62a_100000728582_100000708836 [0,2,0,0,0,0|2,0,0]=4 8782 B17R2.5360 Cc1cc(ccc1CSc2ccncc2)Cl 62a_100000728582_100012361307 [0,2,0,0,0,0|2,0,0]=4 8783 B17R2.5360 Cc1cc(ccc1CSc2ccncc2)Cl 62a_100012361307_100000728582 [0,2,0,0,0,0|2,0,0]=4 8784 B17R2.5360 Cc1cc(ccc1CSc2ccncc2)F 62a_100000700533_100000728582 [0,2,0,0,0,0|2,0,0]=4 8785 B17R2.5360 Cc1cc(ccc1CSc2ccncc2)F 62a_100000728582_100000700533 [0,2,0,0,0,0|2,0,0]=4 8786 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)Br 207a_100000211769_100015611070 [0,2,0,0,0,0|2,0,0]=4 8787 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)Br 270302a_100000211769_100015611070 [0,2,0,0,0,0|2,0,0]=4 8788 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)Br 34a_100000211769_100015291786 [0,2,0,0,0,0|2,0,0]=4 8789 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)Br 7a_100000211769_100000211182 [0,2,0,0,0,0|2,0,0]=4 8790 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)Cl 207a_100000210418_100015611070 [0,2,0,0,0,0|2,0,0]=4 8791 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)Cl 270302a_100000210418_100015611070 [0,2,0,0,0,0|2,0,0]=4 8792 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)Cl 34a_100000210418_100015291786 [0,2,0,0,0,0|2,0,0]=4 8793 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)Cl 7a_100000210418_100000211182 [0,2,0,0,0,0|2,0,0]=4 8794 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)F 207a_100000211637_100015611070 [0,2,0,0,0,0|2,0,0]=4 8795 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)F 270302a_100000211637_100015611070 [0,2,0,0,0,0|2,0,0]=4 8796 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)F 34a_100000211637_100015291786 [0,2,0,0,0,0|2,0,0]=4 8797 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)F 7a_100000211637_100000211182 [0,2,0,0,0,0|2,0,0]=4 8798 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)I 207a_100000184554_100015611070 [0,2,0,0,0,0|2,0,0]=4 8799 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)I 270302a_100000184554_100015611070 [0,2,0,0,0,0|2,0,0]=4 8800 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)I 34a_100000184554_100015291786 [0,2,0,0,0,0|2,0,0]=4 8801 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)I 7a_100000184554_100000211182 [0,2,0,0,0,0|2,0,0]=4 8802 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)O 270302a_100000756630_100015611070 [0,2,0,0,0,0|2,0,0]=4 8803 B17R2.5360 Cc1cc(ccc1NCc2ccccc2)O 34a_100000756630_100015291786 [0,2,0,0,0,0|2,0,0]=4 8804 B17R2.5360 Cc1cc(ccc1OCc2ccccc2)Br 34a_100000186361_100015291786 [0,2,0,0,0,0|1,1,0]=4 8805 B17R2.5360 Cc1cc(ccc1OCc2ccccc2)Br 7a_100000186361_100000211182 [0,2,0,0,0,0|1,1,0]=4 8806 B17R2.5360 Cc1cc(ccc1OCc2ccccc2)Cl 34a_100000211091_100015291786 [0,2,0,0,0,0|1,1,0]=4 8807 B17R2.5360 Cc1cc(ccc1OCc2ccccc2)Cl 7a_100000211091_100000211182 [0,2,0,0,0,0|1,1,0]=4 8808 B17R2.5360 Cc1cc(ccc1OCc2ccccc2)F 34a_100000764316_100015291786 [0,2,0,0,0,0|1,1,0]=4 8809 B17R2.5360 Cc1cc(ccc1OCc2ccccc2)F 7a_100000764316_100000211182 [0,2,0,0,0,0|1,1,0]=4 8810 B17R2.5360 Cc1cc(ccc1OCc2ccccc2)I 34a_100011218673_100015291786 [0,2,0,0,0,0|1,1,0]=4 8811 B17R2.5360 Cc1cc(ccc1OCc2ccccc2)I 7a_100011218673_100000211182 [0,2,0,0,0,0|1,1,0]=4 8812 B17R2.5360 Cc1cc(ccc1OCc2ccccc2)N 34a_100011218179_100015291786 [0,2,0,0,0,0|1,1,0]=4 8813 B17R2.5360 Cc1cc(ccc1OCc2ccccc2)N 7a_100011218179_100000211182 [0,2,0,0,0,0|1,1,0]=4 8814 B17R2.5360 Cc1cc(ccc1SCc2ccccc2)Br 62a_100000211182_100000701812 [0,2,0,0,0,0|1,0,0]=3 8815 B17R2.5360 Cc1cc(ccc1SCc2ccccc2)Br 62a_100000701812_100015291786 [0,2,0,0,0,0|1,0,0]=3 8816 B17R2.5360 Cc1cc(ccc1SCc2ccccc2)Cl 62a_100000211182_100011219607 [0,2,0,0,0,0|1,0,0]=3 8817 B17R2.5360 Cc1cc(ccc1SCc2ccccc2)Cl 62a_100011219607_100015291786 [0,2,0,0,0,0|1,0,0]=3 8818 B17R2.5360 Cc1cc(ccc1SCc2ccccc2)F 62a_100000211182_100011205405 [0,2,0,0,0,0|1,0,0]=3 8819 B17R2.5360 Cc1cc(ccc1SCc2ccccc2)F 62a_100011205405_100015291786 [0,2,0,0,0,0|1,0,0]=3 8820 B17R2.5360 Cc1cc(ccc1SCc2ccccc2)N 62a_100000210723_100015291786 [0,2,0,0,0,0|1,0,0]=3 8821 B17R2.5360 Cc1cc(ccc1SCc2ccccc2)N 62a_100000211182_100000210723 [0,2,0,0,0,0|1,0,0]=3 8822 B17R2.5360 Cc1cc(ccc1SCc2ccccc2)O 62a_100000211182_100000690111 [0,2,0,0,0,0|1,0,0]=3 8823 B17R2.5360 Cc1cc(ccc1SCc2ccccn2)Br 62a_100000701812_100000721315 [0,2,0,0,0,0|2,0,0]=4 8824 B17R2.5360 Cc1cc(ccc1SCc2ccccn2)Br 62a_100000721315_100000701812 [0,2,0,0,0,0|2,0,0]=4 8825 B17R2.5360 Cc1cc(ccc1SCc2ccccn2)Cl 62a_100000721315_100011219607 [0,2,0,0,0,0|2,0,0]=4 8826 B17R2.5360 Cc1cc(ccc1SCc2ccccn2)Cl 62a_100011219607_100000721315 [0,2,0,0,0,0|2,0,0]=4 8827 B17R2.5360 Cc1cc(ccc1SCc2ccccn2)F 62a_100000721315_100011205405 [0,2,0,0,0,0|2,0,0]=4 8828 B17R2.5360 Cc1cc(ccc1SCc2ccccn2)F 62a_100011205405_100000721315 [0,2,0,0,0,0|2,0,0]=4 8829 B17R2.5360 Cc1cc(ccc1SCc2ccccn2)N 62a_100000210723_100000721315 [0,2,0,0,0,0|2,0,0]=4 8830 B17R2.5360 Cc1cc(ccc1SCc2ccccn2)N 62a_100000721315_100000210723 [0,2,0,0,0,0|2,0,0]=4 8831 B17R2.5360 Cc1cc(ccc1SCc2ccccn2)O 62a_100000721315_100000690111 [0,2,0,0,0,0|2,0,0]=4 8832 B17R2.5360 Cc1cc(ccc1SCc2cccnc2)Br 62a_100000701812_100000741622 [0,2,0,0,0,0|2,0,0]=4 8833 B17R2.5360 Cc1cc(ccc1SCc2cccnc2)Br 62a_100000741622_100000701812 [0,2,0,0,0,0|2,0,0]=4 8834 B17R2.5360 Cc1cc(ccc1SCc2cccnc2)Cl 62a_100000741622_100011219607 [0,2,0,0,0,0|2,0,0]=4 8835 B17R2.5360 Cc1cc(ccc1SCc2cccnc2)Cl 62a_100011219607_100000741622 [0,2,0,0,0,0|2,0,0]=4 8836 B17R2.5360 Cc1cc(ccc1SCc2cccnc2)F 62a_100000741622_100011205405 [0,2,0,0,0,0|2,0,0]=4 8837 B17R2.5360 Cc1cc(ccc1SCc2cccnc2)F 62a_100011205405_100000741622 [0,2,0,0,0,0|2,0,0]=4 8838 B17R2.5360 Cc1cc(ccc1SCc2cccnc2)N 62a_100000210723_100000741622 [0,2,0,0,0,0|2,0,0]=4 8839 B17R2.5360 Cc1cc(ccc1SCc2cccnc2)N 62a_100000741622_100000210723 [0,2,0,0,0,0|2,0,0]=4 8840 B17R2.5360 Cc1cc(ccc1SCc2cccnc2)O 62a_100000741622_100000690111 [0,2,0,0,0,0|2,0,0]=4 8841 B17R2.5360 Cc1cc(ccc1SCc2ccncc2)Br 62a_100000701812_100015193705 [0,2,0,0,0,0|2,0,0]=4 8842 B17R2.5360 Cc1cc(ccc1SCc2ccncc2)Br 62a_100015193705_100000701812 [0,2,0,0,0,0|2,0,0]=4 8843 B17R2.5360 Cc1cc(ccc1SCc2ccncc2)Cl 62a_100011219607_100015193705 [0,2,0,0,0,0|2,0,0]=4 8844 B17R2.5360 Cc1cc(ccc1SCc2ccncc2)Cl 62a_100015193705_100011219607 [0,2,0,0,0,0|2,0,0]=4 8845 B17R2.5360 Cc1cc(ccc1SCc2ccncc2)F 62a_100011205405_100015193705 [0,2,0,0,0,0|2,0,0]=4 8846 B17R2.5360 Cc1cc(ccc1SCc2ccncc2)F 62a_100015193705_100011205405 [0,2,0,0,0,0|2,0,0]=4 8847 B17R2.5360 Cc1cc(ccc1SCc2ccncc2)N 62a_100000210723_100015193705 [0,2,0,0,0,0|2,0,0]=4 8848 B17R2.5360 Cc1cc(ccc1SCc2ccncc2)N 62a_100015193705_100000210723 [0,2,0,0,0,0|2,0,0]=4 8849 B17R2.5360 Cc1cc(ccc1SCc2ccncc2)O 62a_100015193705_100000690111 [0,2,0,0,0,0|2,0,0]=4 8850 B17R2.5360 Cc1cc(cnc1SCc2ccccc2)Br 62a_100000211182_100012353652 [0,2,0,0,0,0|2,0,0]=4 8851 B17R2.5360 Cc1cc(cnc1SCc2ccccc2)Br 62a_100012353652_100015291786 [0,2,0,0,0,0|2,0,0]=4 8852 B17R2.5360 Cc1cc(cnc1SCc2ccccc2)F 62a_100000211182_100009817009 [0,2,0,0,0,0|2,0,0]=4 8853 B17R2.5360 Cc1cc(cnc1SCc2ccccc2)F 62a_100009817009_100015291786 [0,2,0,0,0,0|2,0,0]=4 8854 B17R2.5360 Cc1cc(cnc1SCc2ccccc2)N 62a_100000211182_100000761747 [0,2,0,0,0,0|2,0,0]=4 8855 B17R2.5360 Cc1cc(cnc1SCc2ccccc2)N 62a_100000761747_100015291786 [0,2,0,0,0,0|2,0,0]=4 8856 B17R2.5360 Cc1cc(cnc1SCc2ccccc2)O 62a_100000211182_100012000486 [0,2,0,0,0,0|2,0,0]=4 8857 B17R2.5360 Cc1cc(cnc1SCc2ccccc2)O 62a_100012000486_100015291786 [0,2,0,0,0,0|2,0,0]=4 8858 B17R2.5360 Cc1cc(ncc1CSc2ccccc2)F 62a_100000719477_100010382440 [0,2,0,0,0,0|2,0,0]=4 8859 B17R2.5360 Cc1cc(ncc1CSc2ccccc2)F 62a_100010382440_100000041952 [0,2,0,0,0,0|2,0,0]=4 8860 B17R2.5360 Cc1cc(ncc1SCc2ccccc2)Br 62a_100000211182_100009816104 [0,2,0,0,0,0|2,0,0]=4 8861 B17R2.5360 Cc1cc(ncc1SCc2ccccc2)Br 62a_100009816104_100015291786 [0,2,0,0,0,0|2,0,0]=4 8862 B17R2.5360 Cc1cc(ncc1SCc2ccccc2)Cl 62a_100000211182_100010172789 [0,2,0,0,0,0|2,0,0]=4 8863 B17R2.5360 Cc1cc(ncc1SCc2ccccc2)Cl 62a_100010172789_100015291786 [0,2,0,0,0,0|2,0,0]=4 8864 B17R2.5360 Cc1cc(ncc1SCc2ccccc2)F 62a_100000211182_100009820716 [0,2,0,0,0,0|2,0,0]=4 8865 B17R2.5360 Cc1cc(ncc1SCc2ccccc2)F 62a_100009820716_100015291786 [0,2,0,0,0,0|2,0,0]=4 8866 B17R2.5360 Cc1cc(ncc1SCc2ccccc2)N 62a_100000050067_100015291786 [0,2,0,0,0,0|2,0,0]=4 8867 B17R2.5360 Cc1cc(ncc1SCc2ccccc2)N 62a_100000211182_100000050067 [0,2,0,0,0,0|2,0,0]=4 8868 B17R2.5360 Cc1cc(ncc1SCc2ccccc2)O 62a_100000211182_100000766222 [0,2,0,0,0,0|2,0,0]=4 8869 B17R2.5360 Cc1cc(ncc1SCc2ccccc2)O 62a_100000766222_100015291786 [0,2,0,0,0,0|2,0,0]=4 8870 B17R2.5360 Cc1ccc([n+](c1)[O-])SCc2ccccc2 62a_100000211182_100009819918 [0,2,0,0,0,0|2,0,0]=4 8871 B17R2.5360 Cc1ccc(c(c1)Br)C#Cc2ccccc2 271570a_100000069678_100009813563 [0,2,0,0,0,0|2,0,0]=4 8872 B17R2.5360 Cc1ccc(c(c1)Br)C=Cc2ccccc2 271570a_100102527694_100009813563 [0,2,0,0,0,0|2,0,0]=4 8873 B17R2.5360 Cc1ccc(c(c1)Br)CNc2ccccc2 207a_100000106764_100000692596 [0,2,0,0,0,0|2,0,0]=4 8874 B17R2.5360 Cc1ccc(c(c1)Br)CNc2ccccc2 270302a_100000106764_100000692596 [0,2,0,0,0,0|2,0,0]=4 8875 B17R2.5360 Cc1ccc(c(c1)Br)NCc2ccccc2 270302a_100000210942_100015611070 [0,2,0,0,0,0|2,0,0]=4 8876 B17R2.5360 Cc1ccc(c(c1)Br)NCc2ccccc2 34a_100000210942_100015291786 [0,2,0,0,0,0|2,0,0]=4 8877 B17R2.5360 Cc1ccc(c(c1)Br)OCc2ccccc2 34a_100000210800_100015291786 [0,2,0,0,0,0|1,1,0]=4 8878 B17R2.5360 Cc1ccc(c(c1)Br)OCc2ccccc2 7a_100000210800_100000211182 [0,2,0,0,0,0|1,1,0]=4 8879 B17R2.5360 Cc1ccc(c(c1)Br)SCc2ccccc2 62a_100000211182_100009813563 [0,2,0,0,0,0|1,0,0]=3 8880 B17R2.5360 Cc1ccc(c(c1)Br)SCc2ccccc2 62a_100009813563_100015291786 [0,2,0,0,0,0|1,0,0]=3 8881 B17R2.5360 Cc1ccc(c(c1)Br)SCc2ccccn2 62a_100000721315_100009813563 [0,2,0,0,0,0|2,0,0]=4 8882 B17R2.5360 Cc1ccc(c(c1)Br)SCc2ccccn2 62a_100009813563_100000721315 [0,2,0,0,0,0|2,0,0]=4 8883 B17R2.5360 Cc1ccc(c(c1)Br)SCc2cccnc2 62a_100000741622_100009813563 [0,2,0,0,0,0|2,0,0]=4 8884 B17R2.5360 Cc1ccc(c(c1)Br)SCc2cccnc2 62a_100009813563_100000741622 [0,2,0,0,0,0|2,0,0]=4 8885 B17R2.5360 Cc1ccc(c(c1)Br)SCc2ccncc2 62a_100009813563_100015193705 [0,2,0,0,0,0|2,0,0]=4 8886 B17R2.5360 Cc1ccc(c(c1)Br)SCc2ccncc2 62a_100015193705_100009813563 [0,2,0,0,0,0|2,0,0]=4 8887 B17R2.5360 Cc1ccc(c(c1)C)C#Cc2ccccc2 271570a_100000069678_100011217332 [0,2,0,0,0,0|2,0,0]=4 8888 B17R2.5360 Cc1ccc(c(c1)C)C=Cc2ccccc2 271570a_100102527694_100011217332 [0,2,0,0,0,0|2,0,0]=4 8889 B17R2.5360 Cc1ccc(c(c1)C)CNc2ccccc2 207a_100000106764_100000211342 [0,2,0,0,0,0|2,0,0]=4 8890 B17R2.5360 Cc1ccc(c(c1)C)CNc2ccccc2 270302a_100000106764_100000211342 [0,2,0,0,0,0|2,0,0]=4 8891 B17R2.5360 Cc1ccc(c(c1)C)CNc2ccccc2 34a_100000106764_100011219618 [0,2,0,0,0,0|2,0,0]=4 8892 B17R2.5360 Cc1ccc(c(c1)C)COc2ccccc2 34a_100000210340_100011219618 [0,2,0,0,0,0|1,1,0]=4 8893 B17R2.5360 Cc1ccc(c(c1)C)COc2ccccc2 7a_100000210340_100011219618 [0,2,0,0,0,0|1,1,0]=4 8894 B17R2.5360 Cc1ccc(c(c1)C)CSc2ccccc2 62a_100000719477_100011219618 [0,2,0,0,0,0|1,0,0]=3 8895 B17R2.5360 Cc1ccc(c(c1)C)CSc2ccccc2 62a_100011219618_100000041952 [0,2,0,0,0,0|1,0,0]=3 8896 B17R2.5360 Cc1ccc(c(c1)C)CSc2ccccn2 62a_100011216584_100011219618 [0,2,0,0,0,0|2,0,0]=4 8897 B17R2.5360 Cc1ccc(c(c1)C)CSc2ccccn2 62a_100011219618_100011216584 [0,2,0,0,0,0|2,0,0]=4 8898 B17R2.5360 Cc1ccc(c(c1)C)CSc2cccnc2 62a_100000210063_100011219618 [0,2,0,0,0,0|2,0,0]=4 8899 B17R2.5360 Cc1ccc(c(c1)C)CSc2cccnc2 62a_100011219618_100000210063 [0,2,0,0,0,0|2,0,0]=4 8900 B17R2.5360 Cc1ccc(c(c1)C)CSc2ccncc2 62a_100000728582_100011219618 [0,2,0,0,0,0|2,0,0]=4 8901 B17R2.5360 Cc1ccc(c(c1)C)CSc2ccncc2 62a_100011219618_100000728582 [0,2,0,0,0,0|2,0,0]=4 8902 B17R2.5360 Cc1ccc(c(c1)C)NCc2ccccc2 207a_100000736561_100015611070 [0,2,0,0,0,0|2,0,0]=4 8903 B17R2.5360 Cc1ccc(c(c1)C)NCc2ccccc2 270302a_100000736561_100015611070 [0,2,0,0,0,0|2,0,0]=4 8904 B17R2.5360 Cc1ccc(c(c1)C)NCc2ccccc2 34a_100000736561_100015291786 [0,2,0,0,0,0|2,0,0]=4 8905 B17R2.5360 Cc1ccc(c(c1)C)NCc2ccccc2 7a_100000736561_100000211182 [0,2,0,0,0,0|2,0,0]=4 8906 B17R2.5360 Cc1ccc(c(c1)C)OCc2ccccc2 34a_100000211776_100015291786 [0,2,0,0,0,0|1,1,0]=4 8907 B17R2.5360 Cc1ccc(c(c1)C)OCc2ccccc2 7a_100000211776_100000211182 [0,2,0,0,0,0|1,1,0]=4 8908 B17R2.5360 Cc1ccc(c(c1)C)SCc2ccccc2 62a_100000211182_100011217332 [0,2,0,0,0,0|1,0,0]=3 8909 B17R2.5360 Cc1ccc(c(c1)C)SCc2ccccc2 62a_100011217332_100015291786 [0,2,0,0,0,0|1,0,0]=3 8910 B17R2.5360 Cc1ccc(c(c1)C)SCc2ccccn2 62a_100000721315_100011217332 [0,2,0,0,0,0|2,0,0]=4 8911 B17R2.5360 Cc1ccc(c(c1)C)SCc2ccccn2 62a_100011217332_100000721315 [0,2,0,0,0,0|2,0,0]=4 8912 B17R2.5360 Cc1ccc(c(c1)C)SCc2cccnc2 62a_100000741622_100011217332 [0,2,0,0,0,0|2,0,0]=4 8913 B17R2.5360 Cc1ccc(c(c1)C)SCc2cccnc2 62a_100011217332_100000741622 [0,2,0,0,0,0|2,0,0]=4 8914 B17R2.5360 Cc1ccc(c(c1)C)SCc2ccncc2 62a_100011217332_100015193705 [0,2,0,0,0,0|2,0,0]=4 8915 B17R2.5360 Cc1ccc(c(c1)C)SCc2ccncc2 62a_100015193705_100011217332 [0,2,0,0,0,0|2,0,0]=4 8916 B17R2.5360 Cc1ccc(c(c1)Cl)C#Cc2ccccc2 271570a_100000069678_100011263221 [0,2,0,0,0,0|2,0,0]=4 8917 B17R2.5360 Cc1ccc(c(c1)Cl)C=Cc2ccccc2 271570a_100102527694_100011263221 [0,2,0,0,0,0|2,0,0]=4 8918 B17R2.5360 Cc1ccc(c(c1)Cl)CNc2ccccc2 207a_100000106764_100011935181 [0,2,0,0,0,0|2,0,0]=4 8919 B17R2.5360 Cc1ccc(c(c1)Cl)CNc2ccccc2 270302a_100000106764_100011935181 [0,2,0,0,0,0|2,0,0]=4 8920 B17R2.5360 Cc1ccc(c(c1)Cl)CNc2ccccc2 34a_100000106764_100012349684 [0,2,0,0,0,0|2,0,0]=4 8921 B17R2.5360 Cc1ccc(c(c1)Cl)COc2ccccc2 34a_100000210340_100012349684 [0,2,0,0,0,0|1,1,0]=4 8922 B17R2.5360 Cc1ccc(c(c1)Cl)COc2ccccc2 7a_100000210340_100012349684 [0,2,0,0,0,0|1,1,0]=4 8923 B17R2.5360 Cc1ccc(c(c1)Cl)CSc2ccccc2 62a_100000719477_100012349684 [0,2,0,0,0,0|1,0,0]=3 8924 B17R2.5360 Cc1ccc(c(c1)Cl)CSc2ccccc2 62a_100012349684_100000041952 [0,2,0,0,0,0|1,0,0]=3 8925 B17R2.5360 Cc1ccc(c(c1)Cl)CSc2ccccn2 62a_100011216584_100012349684 [0,2,0,0,0,0|2,0,0]=4 8926 B17R2.5360 Cc1ccc(c(c1)Cl)CSc2ccccn2 62a_100012349684_100011216584 [0,2,0,0,0,0|2,0,0]=4 8927 B17R2.5360 Cc1ccc(c(c1)Cl)CSc2cccnc2 62a_100000210063_100012349684 [0,2,0,0,0,0|2,0,0]=4 8928 B17R2.5360 Cc1ccc(c(c1)Cl)CSc2cccnc2 62a_100012349684_100000210063 [0,2,0,0,0,0|2,0,0]=4 8929 B17R2.5360 Cc1ccc(c(c1)Cl)CSc2ccncc2 62a_100000728582_100012349684 [0,2,0,0,0,0|2,0,0]=4 8930 B17R2.5360 Cc1ccc(c(c1)Cl)CSc2ccncc2 62a_100012349684_100000728582 [0,2,0,0,0,0|2,0,0]=4 8931 B17R2.5360 Cc1ccc(c(c1)Cl)NCc2ccccc2 270302a_100000210522_100015611070 [0,2,0,0,0,0|2,0,0]=4 8932 B17R2.5360 Cc1ccc(c(c1)Cl)NCc2ccccc2 34a_100000210522_100015291786 [0,2,0,0,0,0|2,0,0]=4 8933 B17R2.5360 Cc1ccc(c(c1)Cl)OCc2ccccc2 34a_100000749699_100015291786 [0,2,0,0,0,0|1,1,0]=4 8934 B17R2.5360 Cc1ccc(c(c1)Cl)OCc2ccccc2 7a_100000749699_100000211182 [0,2,0,0,0,0|1,1,0]=4 8935 B17R2.5360 Cc1ccc(c(c1)Cl)SCc2ccccc2 62a_100000211182_100011263221 [0,2,0,0,0,0|1,0,0]=3 8936 B17R2.5360 Cc1ccc(c(c1)Cl)SCc2ccccc2 62a_100011263221_100015291786 [0,2,0,0,0,0|1,0,0]=3 8937 B17R2.5360 Cc1ccc(c(c1)Cl)SCc2ccccn2 62a_100000721315_100011263221 [0,2,0,0,0,0|2,0,0]=4 8938 B17R2.5360 Cc1ccc(c(c1)Cl)SCc2ccccn2 62a_100011263221_100000721315 [0,2,0,0,0,0|2,0,0]=4 8939 B17R2.5360 Cc1ccc(c(c1)Cl)SCc2cccnc2 62a_100000741622_100011263221 [0,2,0,0,0,0|2,0,0]=4 8940 B17R2.5360 Cc1ccc(c(c1)Cl)SCc2cccnc2 62a_100011263221_100000741622 [0,2,0,0,0,0|2,0,0]=4 8941 B17R2.5360 Cc1ccc(c(c1)Cl)SCc2ccncc2 62a_100011263221_100015193705 [0,2,0,0,0,0|2,0,0]=4 8942 B17R2.5360 Cc1ccc(c(c1)Cl)SCc2ccncc2 62a_100015193705_100011263221 [0,2,0,0,0,0|2,0,0]=4 8943 B17R2.5360 Cc1ccc(c(c1)F)C#Cc2ccccc2 271570a_100000069678_100011216119 [0,2,0,0,0,0|2,0,0]=4 8944 B17R2.5360 Cc1ccc(c(c1)F)C=Cc2ccccc2 271570a_100102527694_100011216119 [0,2,0,0,0,0|2,0,0]=4 8945 B17R2.5360 Cc1ccc(c(c1)F)CNc2ccccc2 207a_100000106764_100011217368 [0,2,0,0,0,0|2,0,0]=4 8946 B17R2.5360 Cc1ccc(c(c1)F)CNc2ccccc2 270302a_100000106764_100011217368 [0,2,0,0,0,0|2,0,0]=4 8947 B17R2.5360 Cc1ccc(c(c1)F)CNc2ccccc2 34a_100000106764_100012002367 [0,2,0,0,0,0|2,0,0]=4 8948 B17R2.5360 Cc1ccc(c(c1)F)COc2ccccc2 34a_100000210340_100012002367 [0,2,0,0,0,0|1,1,0]=4 8949 B17R2.5360 Cc1ccc(c(c1)F)COc2ccccc2 7a_100000210340_100012002367 [0,2,0,0,0,0|1,1,0]=4 8950 B17R2.5360 Cc1ccc(c(c1)F)CSc2ccccc2 62a_100000719477_100011217900 [0,2,0,0,0,0|1,0,0]=3 8951 B17R2.5360 Cc1ccc(c(c1)F)CSc2ccccc2 62a_100011217900_100000041952 [0,2,0,0,0,0|1,0,0]=3 8952 B17R2.5360 Cc1ccc(c(c1)F)CSc2ccccn2 62a_100011216584_100011217900 [0,2,0,0,0,0|2,0,0]=4 8953 B17R2.5360 Cc1ccc(c(c1)F)CSc2ccccn2 62a_100011217900_100011216584 [0,2,0,0,0,0|2,0,0]=4 8954 B17R2.5360 Cc1ccc(c(c1)F)CSc2cccnc2 62a_100000210063_100011217900 [0,2,0,0,0,0|2,0,0]=4 8955 B17R2.5360 Cc1ccc(c(c1)F)CSc2cccnc2 62a_100011217900_100000210063 [0,2,0,0,0,0|2,0,0]=4 8956 B17R2.5360 Cc1ccc(c(c1)F)CSc2ccncc2 62a_100000728582_100011217900 [0,2,0,0,0,0|2,0,0]=4 8957 B17R2.5360 Cc1ccc(c(c1)F)CSc2ccncc2 62a_100011217900_100000728582 [0,2,0,0,0,0|2,0,0]=4 8958 B17R2.5360 Cc1ccc(c(c1)F)NCc2ccccc2 207a_100000211023_100015611070 [0,2,0,0,0,0|2,0,0]=4 8959 B17R2.5360 Cc1ccc(c(c1)F)NCc2ccccc2 270302a_100000211023_100015611070 [0,2,0,0,0,0|2,0,0]=4 8960 B17R2.5360 Cc1ccc(c(c1)F)NCc2ccccc2 34a_100000211023_100015291786 [0,2,0,0,0,0|2,0,0]=4 8961 B17R2.5360 Cc1ccc(c(c1)F)OCc2ccccc2 34a_100011216688_100015291786 [0,2,0,0,0,0|1,1,0]=4 8962 B17R2.5360 Cc1ccc(c(c1)F)OCc2ccccc2 7a_100011216688_100000211182 [0,2,0,0,0,0|1,1,0]=4 8963 B17R2.5360 Cc1ccc(c(c1)F)SCc2ccccc2 62a_100000211182_100011216119 [0,2,0,0,0,0|1,0,0]=3 8964 B17R2.5360 Cc1ccc(c(c1)F)SCc2ccccc2 62a_100011216119_100015291786 [0,2,0,0,0,0|1,0,0]=3 8965 B17R2.5360 Cc1ccc(c(c1)F)SCc2ccccn2 62a_100000721315_100011216119 [0,2,0,0,0,0|2,0,0]=4 8966 B17R2.5360 Cc1ccc(c(c1)F)SCc2ccccn2 62a_100011216119_100000721315 [0,2,0,0,0,0|2,0,0]=4 8967 B17R2.5360 Cc1ccc(c(c1)F)SCc2cccnc2 62a_100000741622_100011216119 [0,2,0,0,0,0|2,0,0]=4 8968 B17R2.5360 Cc1ccc(c(c1)F)SCc2cccnc2 62a_100011216119_100000741622 [0,2,0,0,0,0|2,0,0]=4 8969 B17R2.5360 Cc1ccc(c(c1)F)SCc2ccncc2 62a_100011216119_100015193705 [0,2,0,0,0,0|2,0,0]=4 8970 B17R2.5360 Cc1ccc(c(c1)F)SCc2ccncc2 62a_100015193705_100011216119 [0,2,0,0,0,0|2,0,0]=4 8971 B17R2.5360 Cc1ccc(c(c1)I)CNc2ccccc2 207a_100000106764_100010150104 [0,2,0,0,0,0|2,0,0]=4 8972 B17R2.5360 Cc1ccc(c(c1)I)NCc2ccccc2 270302a_100011356834_100015611070 [0,2,0,0,0,0|2,0,0]=4 8973 B17R2.5360 Cc1ccc(c(c1)I)NCc2ccccc2 34a_100011356834_100015291786 [0,2,0,0,0,0|2,0,0]=4 8974 B17R2.5360 Cc1ccc(c(c1)I)OCc2ccccc2 34a_100000765521_100015291786 [0,2,0,0,0,0|1,1,0]=4 8975 B17R2.5360 Cc1ccc(c(c1)I)OCc2ccccc2 7a_100000765521_100000211182 [0,2,0,0,0,0|1,1,0]=4 8976 B17R2.5360 Cc1ccc(c(c1)N)C#Cc2ccccc2 271570a_100000069678_100011216686 [0,2,0,0,0,0|2,0,0]=4 8977 B17R2.5360 Cc1ccc(c(c1)N)C=Cc2ccccc2 271570a_100102527694_100011216686 [0,2,0,0,0,0|2,0,0]=4 8978 B17R2.5360 Cc1ccc(c(c1)N)OCc2ccccc2 34a_100011215204_100015291786 [0,2,0,0,0,0|1,1,0]=4 8979 B17R2.5360 Cc1ccc(c(c1)N)OCc2ccccc2 7a_100011215204_100000211182 [0,2,0,0,0,0|1,1,0]=4 8980 B17R2.5360 Cc1ccc(c(c1)N)SCc2ccccc2 62a_100000211182_100011216686 [0,2,0,0,0,0|1,0,0]=3 8981 B17R2.5360 Cc1ccc(c(c1)N)SCc2ccccc2 62a_100011216686_100015291786 [0,2,0,0,0,0|1,0,0]=3 8982 B17R2.5360 Cc1ccc(c(c1)N)SCc2ccccn2 62a_100000721315_100011216686 [0,2,0,0,0,0|2,0,0]=4 8983 B17R2.5360 Cc1ccc(c(c1)N)SCc2ccccn2 62a_100011216686_100000721315 [0,2,0,0,0,0|2,0,0]=4 8984 B17R2.5360 Cc1ccc(c(c1)N)SCc2cccnc2 62a_100000741622_100011216686 [0,2,0,0,0,0|2,0,0]=4 8985 B17R2.5360 Cc1ccc(c(c1)N)SCc2cccnc2 62a_100011216686_100000741622 [0,2,0,0,0,0|2,0,0]=4 8986 B17R2.5360 Cc1ccc(c(c1)N)SCc2ccncc2 62a_100011216686_100015193705 [0,2,0,0,0,0|2,0,0]=4 8987 B17R2.5360 Cc1ccc(c(c1)N)SCc2ccncc2 62a_100015193705_100011216686 [0,2,0,0,0,0|2,0,0]=4 8988 B17R2.5360 Cc1ccc(c(c1)O)C#Cc2ccccc2 271570a_100000069678_100012002257 [0,2,0,0,0,0|2,0,0]=4 8989 B17R2.5360 Cc1ccc(c(c1)O)C=Cc2ccccc2 271570a_100102527694_100012002257 [0,2,0,0,0,0|2,0,0]=4 8990 B17R2.5360 Cc1ccc(c(c1)O)NCc2ccccc2 34a_100000211527_100015291786 [0,2,0,0,0,0|2,0,0]=4 8991 B17R2.5360 Cc1ccc(c(c1)O)OCc2ccccc2 271570a_203496583355_100000151733 [0,2,0,0,0,0|1,1,0]=4 8992 B17R2.5360 Cc1ccc(c(c1)O)SCc2ccccc2 62a_100000211182_100012002257 [0,2,0,0,0,0|1,0,0]=3 8993 B17R2.5360 Cc1ccc(c(c1)O)SCc2ccccc2 62a_100012002257_100015291786 [0,2,0,0,0,0|1,0,0]=3 8994 B17R2.5360 Cc1ccc(c(c1)O)SCc2ccccn2 62a_100000721315_100012002257 [0,2,0,0,0,0|2,0,0]=4 8995 B17R2.5360 Cc1ccc(c(c1)O)SCc2ccccn2 62a_100012002257_100000721315 [0,2,0,0,0,0|2,0,0]=4 8996 B17R2.5360 Cc1ccc(c(c1)O)SCc2cccnc2 62a_100000741622_100012002257 [0,2,0,0,0,0|2,0,0]=4 8997 B17R2.5360 Cc1ccc(c(c1)O)SCc2cccnc2 62a_100012002257_100000741622 [0,2,0,0,0,0|2,0,0]=4 8998 B17R2.5360 Cc1ccc(c(c1)O)SCc2ccncc2 62a_100012002257_100015193705 [0,2,0,0,0,0|2,0,0]=4 8999 B17R2.5360 Cc1ccc(c(c1)O)SCc2ccncc2 62a_100015193705_100012002257 [0,2,0,0,0,0|2,0,0]=4 9000 B17R2.5360 Cc1ccc(c(n1)Br)CSc2ccccc2 62a_100000719477_200010064658 [0,2,0,0,0,0|2,0,0]=4 9001 B17R2.5360 Cc1ccc(c(n1)Br)CSc2ccccc2 62a_200010064658_100000041952 [0,2,0,0,0,0|2,0,0]=4 9002 B17R2.5360 Cc1ccc(c(n1)C)SCc2ccccc2 62a_100000211182_100009813853 [0,2,0,0,0,0|2,0,0]=4 9003 B17R2.5360 Cc1ccc(c(n1)C)SCc2ccccc2 62a_100009813853_100015291786 [0,2,0,0,0,0|2,0,0]=4 9004 B17R2.5360 Cc1ccc(c(n1)F)SCc2ccccc2 62a_100000211182_100010006597 [0,2,0,0,0,0|2,0,0]=4 9005 B17R2.5360 Cc1ccc(c(n1)F)SCc2ccccc2 62a_100010006597_100015291786 [0,2,0,0,0,0|2,0,0]=4 9006 B17R2.5360 Cc1ccc(c(n1)N)SCc2ccccc2 62a_100000211182_100009816662 [0,2,0,0,0,0|2,0,0]=4 9007 B17R2.5360 Cc1ccc(c(n1)N)SCc2ccccc2 62a_100009816662_100015291786 [0,2,0,0,0,0|2,0,0]=4 9008 B17R2.5360 Cc1ccc(c(n1)O)SCc2ccccc2 62a_100000211182_100009817604 [0,2,0,0,0,0|2,0,0]=4 9009 B17R2.5360 Cc1ccc(c(n1)O)SCc2ccccc2 62a_100009817604_100015291786 [0,2,0,0,0,0|2,0,0]=4 9010 B17R2.5360 Cc1cnc(c(c1)C)CSc2ccccc2 62a_100000719477_100016990036 [0,2,0,0,0,0|2,0,0]=4 9011 B17R2.5360 Cc1cnc(c(c1)C)CSc2ccccc2 62a_100016990036_100000041952 [0,2,0,0,0,0|2,0,0]=4 9012 B17R2.5360 Cc1cnc(c(c1)C)SCc2ccccc2 62a_100000211182_100009864548 [0,2,0,0,0,0|2,0,0]=4 9013 B17R2.5360 Cc1cnc(c(c1)C)SCc2ccccc2 62a_100009864548_100015291786 [0,2,0,0,0,0|2,0,0]=4 9014 B17R2.5360 Cc1cnc(c(c1)F)SCc2ccccc2 62a_100000211182_100009819633 [0,2,0,0,0,0|2,0,0]=4 9015 B17R2.5360 Cc1cnc(c(c1)F)SCc2ccccc2 62a_100009819633_100015291786 [0,2,0,0,0,0|2,0,0]=4 9016 B17R2.5360 Cc1cnc(c(c1)N)SCc2ccccc2 62a_100000211182_100000733613 [0,2,0,0,0,0|2,0,0]=4 9017 B17R2.5360 Cc1cnc(c(c1)N)SCc2ccccc2 62a_100000733613_100015291786 [0,2,0,0,0,0|2,0,0]=4 9018 B17R2.5360 Cc1cnc(c(c1)O)SCc2ccccc2 62a_100000211182_100012000487 [0,2,0,0,0,0|2,0,0]=4 9019 B17R2.5360 Cc1nc(ccc1SCc2ccccc2)Cl 62a_100000062408_100015291786 [0,2,0,0,0,0|2,0,0]=4 9020 B17R2.5360 Cc1nc(ccc1SCc2ccccc2)Cl 62a_100000211182_100000062408 [0,2,0,0,0,0|2,0,0]=4 9021 B17R2.5360 Cc1nc(ccc1SCc2ccccc2)F 62a_100000211182_100000688911 [0,2,0,0,0,0|2,0,0]=4 9022 B17R2.5360 Cc1nc(ccc1SCc2ccccc2)F 62a_100000688911_100015291786 [0,2,0,0,0,0|2,0,0]=4 9023 B17R2.5360 Cc1nc(ccc1SCc2ccccc2)N 62a_100000187202_100015291786 [0,2,0,0,0,0|2,0,0]=4 9024 B17R2.5360 Cc1nc(ccc1SCc2ccccc2)N 62a_100000211182_100000187202 [0,2,0,0,0,0|2,0,0]=4 9025 B17R2.5360 Cc1nc(ccc1SCc2ccccc2)O 62a_100000211182_100000691680 [0,2,0,0,0,0|2,0,0]=4 9026 B17R2.5360 Cc1nc(ccc1SCc2ccccc2)O 62a_100000691680_100015291786 [0,2,0,0,0,0|2,0,0]=4 9027 B17R2.5360 Clc1cc(c(cn1)CSc2ccccc2)Cl 62a_100000719477_100011997056 [0,2,0,0,0,0|2,0,0]=4 9028 B17R2.5360 Clc1cc(c(cn1)CSc2ccccc2)Cl 62a_100011997056_100000041952 [0,2,0,0,0,0|2,0,0]=4 9029 B17R2.5360 Clc1cc(c(cn1)SCc2ccccc2)Cl 62a_100000211182_100010200927 [0,2,0,0,0,0|2,0,0]=4 9030 B17R2.5360 Clc1cc(c(cn1)SCc2ccccc2)Cl 62a_100010200927_100015291786 [0,2,0,0,0,0|2,0,0]=4 9031 B17R2.5360 Clc1cc(ccc1C#Cc2ccccc2)Br 271570a_100000069678_100011216062 [0,2,0,0,0,0|2,0,0]=4 9032 B17R2.5360 Clc1cc(ccc1C=Cc2ccccc2)Br 271570a_100102527694_100011216062 [0,2,0,0,0,0|2,0,0]=4 9033 B17R2.5360 Clc1cc(ccc1CNc2ccccc2)Br 207a_100000106764_100000764164 [0,2,0,0,0,0|2,0,0]=4 9034 B17R2.5360 Clc1cc(ccc1CNc2ccccc2)Br 270302a_100000106764_100000764164 [0,2,0,0,0,0|2,0,0]=4 9035 B17R2.5360 Clc1cc(ccc1CNc2ccccc2)Br 34a_100000106764_100011740631 [0,2,0,0,0,0|2,0,0]=4 9036 B17R2.5360 Clc1cc(ccc1CNc2ccccc2)I 207a_100000106764_100000727542 [0,2,0,0,0,0|2,0,0]=4 9037 B17R2.5360 Clc1cc(ccc1COc2ccccc2)Br 34a_100000210340_100011740631 [0,2,0,0,0,0|1,1,0]=4 9038 B17R2.5360 Clc1cc(ccc1COc2ccccc2)Br 7a_100000210340_100011740631 [0,2,0,0,0,0|1,1,0]=4 9039 B17R2.5360 Clc1cc(ccc1CSc2ccccc2)Br 62a_100000719477_100011740631 [0,2,0,0,0,0|1,0,0]=3 9040 B17R2.5360 Clc1cc(ccc1CSc2ccccc2)Br 62a_100011740631_100000041952 [0,2,0,0,0,0|1,0,0]=3 9041 B17R2.5360 Clc1cc(ccc1CSc2ccccn2)Br 62a_100011216584_100011740631 [0,2,0,0,0,0|2,0,0]=4 9042 B17R2.5360 Clc1cc(ccc1CSc2ccccn2)Br 62a_100011740631_100011216584 [0,2,0,0,0,0|2,0,0]=4 9043 B17R2.5360 Clc1cc(ccc1CSc2cccnc2)Br 62a_100000210063_100011740631 [0,2,0,0,0,0|2,0,0]=4 9044 B17R2.5360 Clc1cc(ccc1CSc2cccnc2)Br 62a_100011740631_100000210063 [0,2,0,0,0,0|2,0,0]=4 9045 B17R2.5360 Clc1cc(ccc1CSc2ccncc2)Br 62a_100000728582_100011740631 [0,2,0,0,0,0|2,0,0]=4 9046 B17R2.5360 Clc1cc(ccc1CSc2ccncc2)Br 62a_100011740631_100000728582 [0,2,0,0,0,0|2,0,0]=4 9047 B17R2.5360 Clc1cc(ccc1NCc2ccccc2)Br 270302a_100000211467_100015611070 [0,2,0,0,0,0|2,0,0]=4 9048 B17R2.5360 Clc1cc(ccc1NCc2ccccc2)Br 34a_100000211467_100015291786 [0,2,0,0,0,0|2,0,0]=4 9049 B17R2.5360 Clc1cc(ccc1NCc2ccccc2)I 270302a_100011218065_100015611070 [0,2,0,0,0,0|2,0,0]=4 9050 B17R2.5360 Clc1cc(ccc1NCc2ccccc2)I 34a_100011218065_100015291786 [0,2,0,0,0,0|2,0,0]=4 9051 B17R2.5360 Clc1cc(ccc1OCc2ccccc2)Br 34a_100000186472_100015291786 [0,2,0,0,0,0|1,1,0]=4 9052 B17R2.5360 Clc1cc(ccc1OCc2ccccc2)Br 7a_100000186472_100000211182 [0,2,0,0,0,0|1,1,0]=4 9053 B17R2.5360 Clc1cc(ccc1OCc2ccccc2)I 34a_100012360047_100015291786 [0,2,0,0,0,0|1,1,0]=4 9054 B17R2.5360 Clc1cc(ccc1OCc2ccccc2)I 7a_100012360047_100000211182 [0,2,0,0,0,0|1,1,0]=4 9055 B17R2.5360 Clc1cc(ccc1SCc2ccccc2)Br 62a_100000211182_100011216062 [0,2,0,0,0,0|1,0,0]=3 9056 B17R2.5360 Clc1cc(ccc1SCc2ccccc2)Br 62a_100011216062_100015291786 [0,2,0,0,0,0|1,0,0]=3 9057 B17R2.5360 Clc1cc(ccc1SCc2ccccn2)Br 62a_100000721315_100011216062 [0,2,0,0,0,0|2,0,0]=4 9058 B17R2.5360 Clc1cc(ccc1SCc2ccccn2)Br 62a_100011216062_100000721315 [0,2,0,0,0,0|2,0,0]=4 9059 B17R2.5360 Clc1cc(ccc1SCc2cccnc2)Br 62a_100000741622_100011216062 [0,2,0,0,0,0|2,0,0]=4 9060 B17R2.5360 Clc1cc(ccc1SCc2cccnc2)Br 62a_100011216062_100000741622 [0,2,0,0,0,0|2,0,0]=4 9061 B17R2.5360 Clc1cc(ccc1SCc2ccncc2)Br 62a_100011216062_100015193705 [0,2,0,0,0,0|2,0,0]=4 9062 B17R2.5360 Clc1cc(ccc1SCc2ccncc2)Br 62a_100015193705_100011216062 [0,2,0,0,0,0|2,0,0]=4 9063 B17R2.5360 Clc1cc(ncc1SCc2ccccc2)Br 62a_100000211182_100010381092 [0,2,0,0,0,0|2,0,0]=4 9064 B17R2.5360 Clc1cc(ncc1SCc2ccccc2)Br 62a_100010381092_100015291786 [0,2,0,0,0,0|2,0,0]=4 9065 B17R2.5360 Clc1ccc(c(c1)Br)C#Cc2ccccc2 271570a_100000069678_100011219703 [0,2,0,0,0,0|2,0,0]=4 9066 B17R2.5360 Clc1ccc(c(c1)Br)C=Cc2ccccc2 271570a_100102527694_100011219703 [0,2,0,0,0,0|2,0,0]=4 9067 B17R2.5360 Clc1ccc(c(c1)Br)CNc2ccccc2 207a_100000106764_100000687667 [0,2,0,0,0,0|2,0,0]=4 9068 B17R2.5360 Clc1ccc(c(c1)Br)CNc2ccccc2 270302a_100000106764_100000687667 [0,2,0,0,0,0|2,0,0]=4 9069 B17R2.5360 Clc1ccc(c(c1)Br)CNc2ccccc2 34a_100000106764_100000755608 [0,2,0,0,0,0|2,0,0]=4 9070 B17R2.5360 Clc1ccc(c(c1)Br)COc2ccccc2 34a_100000210340_100000755608 [0,2,0,0,0,0|1,1,0]=4 9071 B17R2.5360 Clc1ccc(c(c1)Br)COc2ccccc2 7a_100000210340_100000755608 [0,2,0,0,0,0|1,1,0]=4 9072 B17R2.5360 Clc1ccc(c(c1)Br)CSc2ccccc2 62a_100000719477_100000755608 [0,2,0,0,0,0|1,0,0]=3 9073 B17R2.5360 Clc1ccc(c(c1)Br)CSc2ccccc2 62a_100000755608_100000041952 [0,2,0,0,0,0|1,0,0]=3 9074 B17R2.5360 Clc1ccc(c(c1)Br)CSc2ccccn2 62a_100000755608_100011216584 [0,2,0,0,0,0|2,0,0]=4 9075 B17R2.5360 Clc1ccc(c(c1)Br)CSc2ccccn2 62a_100011216584_100000755608 [0,2,0,0,0,0|2,0,0]=4 9076 B17R2.5360 Clc1ccc(c(c1)Br)CSc2cccnc2 62a_100000210063_100000755608 [0,2,0,0,0,0|2,0,0]=4 9077 B17R2.5360 Clc1ccc(c(c1)Br)CSc2cccnc2 62a_100000755608_100000210063 [0,2,0,0,0,0|2,0,0]=4 9078 B17R2.5360 Clc1ccc(c(c1)Br)CSc2ccncc2 62a_100000728582_100000755608 [0,2,0,0,0,0|2,0,0]=4 9079 B17R2.5360 Clc1ccc(c(c1)Br)CSc2ccncc2 62a_100000755608_100000728582 [0,2,0,0,0,0|2,0,0]=4 9080 B17R2.5360 Clc1ccc(c(c1)Br)NCc2ccccc2 34a_100000752454_100015291786 [0,2,0,0,0,0|2,0,0]=4 9081 B17R2.5360 Clc1ccc(c(c1)Br)OCc2ccccc2 34a_100000211998_100015291786 [0,2,0,0,0,0|1,1,0]=4 9082 B17R2.5360 Clc1ccc(c(c1)Br)OCc2ccccc2 7a_100000211998_100000211182 [0,2,0,0,0,0|1,1,0]=4 9083 B17R2.5360 Clc1ccc(c(c1)Br)SCc2ccccc2 62a_100000211182_100011219703 [0,2,0,0,0,0|1,0,0]=3 9084 B17R2.5360 Clc1ccc(c(c1)Br)SCc2ccccc2 62a_100011219703_100015291786 [0,2,0,0,0,0|1,0,0]=3 9085 B17R2.5360 Clc1ccc(c(c1)Br)SCc2ccccn2 62a_100000721315_100011219703 [0,2,0,0,0,0|2,0,0]=4 9086 B17R2.5360 Clc1ccc(c(c1)Br)SCc2ccccn2 62a_100011219703_100000721315 [0,2,0,0,0,0|2,0,0]=4 9087 B17R2.5360 Clc1ccc(c(c1)Br)SCc2cccnc2 62a_100000741622_100011219703 [0,2,0,0,0,0|2,0,0]=4 9088 B17R2.5360 Clc1ccc(c(c1)Br)SCc2cccnc2 62a_100011219703_100000741622 [0,2,0,0,0,0|2,0,0]=4 9089 B17R2.5360 Clc1ccc(c(c1)Br)SCc2ccncc2 62a_100011219703_100015193705 [0,2,0,0,0,0|2,0,0]=4 9090 B17R2.5360 Clc1ccc(c(c1)Br)SCc2ccncc2 62a_100015193705_100011219703 [0,2,0,0,0,0|2,0,0]=4 9091 B17R2.5360 Clc1ccc(c(c1)Cl)C#Cc2ccccc2 271570a_100000069678_100000699841 [0,2,0,0,0,0|2,0,0]=4 9092 B17R2.5360 Clc1ccc(c(c1)Cl)C=Cc2ccccc2 271570a_100102527694_100000699841 [0,2,0,0,0,0|2,0,0]=4 9093 B17R2.5360 Clc1ccc(c(c1)Cl)CNc2ccccc2 207a_100000106764_100000188887 [0,2,0,0,0,0|2,0,0]=4 9094 B17R2.5360 Clc1ccc(c(c1)Cl)CNc2ccccc2 270302a_100000106764_100000188887 [0,2,0,0,0,0|2,0,0]=4 9095 B17R2.5360 Clc1ccc(c(c1)Cl)CNc2ccccc2 34a_100000106764_100000188473 [0,2,0,0,0,0|2,0,0]=4 9096 B17R2.5360 Clc1ccc(c(c1)Cl)COc2ccccc2 34a_100000210340_100000188473 [0,2,0,0,0,0|1,1,0]=4 9097 B17R2.5360 Clc1ccc(c(c1)Cl)COc2ccccc2 7a_100000210340_100000188473 [0,2,0,0,0,0|1,1,0]=4 9098 B17R2.5360 Clc1ccc(c(c1)Cl)CSc2ccccc2 62a_100000188473_100000041952 [0,2,0,0,0,0|1,0,0]=3 9099 B17R2.5360 Clc1ccc(c(c1)Cl)CSc2ccccc2 62a_100000719477_100000188473 [0,2,0,0,0,0|1,0,0]=3 9100 B17R2.5360 Clc1ccc(c(c1)Cl)CSc2ccccn2 62a_100000188473_100011216584 [0,2,0,0,0,0|2,0,0]=4 9101 B17R2.5360 Clc1ccc(c(c1)Cl)CSc2ccccn2 62a_100011216584_100000188473 [0,2,0,0,0,0|2,0,0]=4 9102 B17R2.5360 Clc1ccc(c(c1)Cl)CSc2cccnc2 62a_100000188473_100000210063 [0,2,0,0,0,0|2,0,0]=4 9103 B17R2.5360 Clc1ccc(c(c1)Cl)CSc2cccnc2 62a_100000210063_100000188473 [0,2,0,0,0,0|2,0,0]=4 9104 B17R2.5360 Clc1ccc(c(c1)Cl)CSc2ccncc2 62a_100000188473_100000728582 [0,2,0,0,0,0|2,0,0]=4 9105 B17R2.5360 Clc1ccc(c(c1)Cl)CSc2ccncc2 62a_100000728582_100000188473 [0,2,0,0,0,0|2,0,0]=4 9106 B17R2.5360 Clc1ccc(c(c1)Cl)NCc2ccccc2 270302a_100000185861_100015611070 [0,2,0,0,0,0|2,0,0]=4 9107 B17R2.5360 Clc1ccc(c(c1)Cl)NCc2ccccc2 34a_100000185861_100015291786 [0,2,0,0,0,0|2,0,0]=4 9108 B17R2.5360 Clc1ccc(c(c1)Cl)OCc2ccccc2 34a_100015191787_100015291786 [0,2,0,0,0,0|1,1,0]=4 9109 B17R2.5360 Clc1ccc(c(c1)Cl)OCc2ccccc2 7a_100015191787_100000211182 [0,2,0,0,0,0|1,1,0]=4 9110 B17R2.5360 Clc1ccc(c(c1)Cl)SCc2ccccc2 62a_100000211182_100000699841 [0,2,0,0,0,0|1,0,0]=3 9111 B17R2.5360 Clc1ccc(c(c1)Cl)SCc2ccccc2 62a_100000699841_100015291786 [0,2,0,0,0,0|1,0,0]=3 9112 B17R2.5360 Clc1ccc(c(c1)Cl)SCc2ccccn2 62a_100000699841_100000721315 [0,2,0,0,0,0|2,0,0]=4 9113 B17R2.5360 Clc1ccc(c(c1)Cl)SCc2ccccn2 62a_100000721315_100000699841 [0,2,0,0,0,0|2,0,0]=4 9114 B17R2.5360 Clc1ccc(c(c1)Cl)SCc2cccnc2 62a_100000699841_100000741622 [0,2,0,0,0,0|2,0,0]=4 9115 B17R2.5360 Clc1ccc(c(c1)Cl)SCc2cccnc2 62a_100000741622_100000699841 [0,2,0,0,0,0|2,0,0]=4 9116 B17R2.5360 Clc1ccc(c(c1)Cl)SCc2ccncc2 62a_100000699841_100015193705 [0,2,0,0,0,0|2,0,0]=4 9117 B17R2.5360 Clc1ccc(c(c1)Cl)SCc2ccncc2 62a_100015193705_100000699841 [0,2,0,0,0,0|2,0,0]=4 9118 B17R2.5360 Clc1ccc(c(c1)I)CNc2ccccc2 34a_100000106764_100010254388 [0,2,0,0,0,0|2,0,0]=4 9119 B17R2.5360 Clc1ccc(c(c1)I)COc2ccccc2 34a_100000210340_100010254388 [0,2,0,0,0,0|1,1,0]=4 9120 B17R2.5360 Clc1ccc(c(c1)I)COc2ccccc2 7a_100000210340_100010254388 [0,2,0,0,0,0|1,1,0]=4 9121 B17R2.5360 Clc1ccc(c(c1)I)CSc2ccccc2 62a_100000719477_100010254388 [0,2,0,0,0,0|1,0,0]=3 9122 B17R2.5360 Clc1ccc(c(c1)I)CSc2ccccc2 62a_100010254388_100000041952 [0,2,0,0,0,0|1,0,0]=3 9123 B17R2.5360 Clc1ccc(c(c1)I)CSc2ccccn2 62a_100010254388_100011216584 [0,2,0,0,0,0|2,0,0]=4 9124 B17R2.5360 Clc1ccc(c(c1)I)CSc2ccccn2 62a_100011216584_100010254388 [0,2,0,0,0,0|2,0,0]=4 9125 B17R2.5360 Clc1ccc(c(c1)I)CSc2cccnc2 62a_100000210063_100010254388 [0,2,0,0,0,0|2,0,0]=4 9126 B17R2.5360 Clc1ccc(c(c1)I)CSc2cccnc2 62a_100010254388_100000210063 [0,2,0,0,0,0|2,0,0]=4 9127 B17R2.5360 Clc1ccc(c(c1)I)CSc2ccncc2 62a_100000728582_100010254388 [0,2,0,0,0,0|2,0,0]=4 9128 B17R2.5360 Clc1ccc(c(c1)I)CSc2ccncc2 62a_100010254388_100000728582 [0,2,0,0,0,0|2,0,0]=4 9129 B17R2.5360 Clc1ccc(c(c1)I)NCc2ccccc2 34a_100000761889_100015291786 [0,2,0,0,0,0|2,0,0]=4 9130 B17R2.5360 Clc1ccc(c(c1)I)OCc2ccccc2 34a_100011356953_100015291786 [0,2,0,0,0,0|1,1,0]=4 9131 B17R2.5360 Clc1ccc(c(c1)I)OCc2ccccc2 7a_100011356953_100000211182 [0,2,0,0,0,0|1,1,0]=4 9132 B17R2.5360 Clc1ccc(c(n1)Cl)CSc2ccccc2 62a_100000719477_100000722033 [0,2,0,0,0,0|2,0,0]=4 9133 B17R2.5360 Clc1ccc(c(n1)Cl)CSc2ccccc2 62a_100000722033_100000041952 [0,2,0,0,0,0|2,0,0]=4 9134 B17R2.5360 Clc1ccc(c(n1)Cl)SCc2ccccc2 62a_100000211182_100000043682 [0,2,0,0,0,0|2,0,0]=4 9135 B17R2.5360 Clc1cnc(c(c1)Br)SCc2ccccc2 62a_100000211182_100012154958 [0,2,0,0,0,0|2,0,0]=4 9136 B17R2.5360 Clc1cnc(c(c1)Br)SCc2ccccc2 62a_100012154958_100015291786 [0,2,0,0,0,0|2,0,0]=4 9137 B17R2.5360 Clc1nc(ccc1SCc2ccccc2)Br 62a_100000211182_100010246183 [0,2,0,0,0,0|2,0,0]=4 9138 B17R2.5360 Clc1nc(ccc1SCc2ccccc2)Br 62a_100010246183_100015291786 [0,2,0,0,0,0|2,0,0]=4 9139 B17R2.5360 Fc1cc(c(cn1)SCc2ccccc2)Br 62a_100000211182_100015451857 [0,2,0,0,0,0|2,0,0]=4 9140 B17R2.5360 Fc1cc(c(cn1)SCc2ccccc2)Br 62a_100015451857_100015291786 [0,2,0,0,0,0|2,0,0]=4 9141 B17R2.5360 Fc1cc(ccc1C#Cc2ccccc2)Br 271570a_100000069678_100009814013 [0,2,0,0,0,0|2,0,0]=4 9142 B17R2.5360 Fc1cc(ccc1C#Cc2ccccc2)Cl 271570a_100000069678_100011216042 [0,2,0,0,0,0|2,0,0]=4 9143 B17R2.5360 Fc1cc(ccc1C=Cc2ccccc2)Br 271570a_100102527694_100009814013 [0,2,0,0,0,0|2,0,0]=4 9144 B17R2.5360 Fc1cc(ccc1C=Cc2ccccc2)Cl 271570a_100102527694_100011216042 [0,2,0,0,0,0|2,0,0]=4 9145 B17R2.5360 Fc1cc(ccc1CNc2ccccc2)Br 207a_100000106764_100000211676 [0,2,0,0,0,0|2,0,0]=4 9146 B17R2.5360 Fc1cc(ccc1CNc2ccccc2)Br 270302a_100000106764_100000211676 [0,2,0,0,0,0|2,0,0]=4 9147 B17R2.5360 Fc1cc(ccc1CNc2ccccc2)Br 34a_100000106764_100000211606 [0,2,0,0,0,0|2,0,0]=4 9148 B17R2.5360 Fc1cc(ccc1CNc2ccccc2)Cl 207a_100000106764_100000697372 [0,2,0,0,0,0|2,0,0]=4 9149 B17R2.5360 Fc1cc(ccc1CNc2ccccc2)Cl 270302a_100000106764_100000697372 [0,2,0,0,0,0|2,0,0]=4 9150 B17R2.5360 Fc1cc(ccc1CNc2ccccc2)Cl 34a_100000106764_100000709361 [0,2,0,0,0,0|2,0,0]=4 9151 B17R2.5360 Fc1cc(ccc1CNc2ccccc2)I 207a_100000106764_100000050965 [0,2,0,0,0,0|2,0,0]=4 9152 B17R2.5360 Fc1cc(ccc1CNc2ccccc2)I 34a_100000106764_100010244991 [0,2,0,0,0,0|2,0,0]=4 9153 B17R2.5360 Fc1cc(ccc1COc2ccccc2)Br 34a_100000210340_100000211606 [0,2,0,0,0,0|1,1,0]=4 9154 B17R2.5360 Fc1cc(ccc1COc2ccccc2)Br 7a_100000210340_100000211606 [0,2,0,0,0,0|1,1,0]=4 9155 B17R2.5360 Fc1cc(ccc1COc2ccccc2)Cl 34a_100000210340_100000709361 [0,2,0,0,0,0|1,1,0]=4 9156 B17R2.5360 Fc1cc(ccc1COc2ccccc2)Cl 7a_100000210340_100000709361 [0,2,0,0,0,0|1,1,0]=4 9157 B17R2.5360 Fc1cc(ccc1COc2ccccc2)I 34a_100000210340_100010244991 [0,2,0,0,0,0|1,1,0]=4 9158 B17R2.5360 Fc1cc(ccc1COc2ccccc2)I 7a_100000210340_100010244991 [0,2,0,0,0,0|1,1,0]=4 9159 B17R2.5360 Fc1cc(ccc1CSc2ccccc2)Br 62a_100000211606_100000041952 [0,2,0,0,0,0|1,0,0]=3 9160 B17R2.5360 Fc1cc(ccc1CSc2ccccc2)Br 62a_100000719477_100000211606 [0,2,0,0,0,0|1,0,0]=3 9161 B17R2.5360 Fc1cc(ccc1CSc2ccccc2)Cl 62a_100000709361_100000041952 [0,2,0,0,0,0|1,0,0]=3 9162 B17R2.5360 Fc1cc(ccc1CSc2ccccc2)Cl 62a_100000719477_100000709361 [0,2,0,0,0,0|1,0,0]=3 9163 B17R2.5360 Fc1cc(ccc1CSc2ccccc2)I 62a_100000719477_100010244991 [0,2,0,0,0,0|1,0,0]=3 9164 B17R2.5360 Fc1cc(ccc1CSc2ccccc2)I 62a_100010244991_100000041952 [0,2,0,0,0,0|1,0,0]=3 9165 B17R2.5360 Fc1cc(ccc1CSc2ccccn2)Br 62a_100000211606_100011216584 [0,2,0,0,0,0|2,0,0]=4 9166 B17R2.5360 Fc1cc(ccc1CSc2ccccn2)Br 62a_100011216584_100000211606 [0,2,0,0,0,0|2,0,0]=4 9167 B17R2.5360 Fc1cc(ccc1CSc2ccccn2)Cl 62a_100000709361_100011216584 [0,2,0,0,0,0|2,0,0]=4 9168 B17R2.5360 Fc1cc(ccc1CSc2ccccn2)Cl 62a_100011216584_100000709361 [0,2,0,0,0,0|2,0,0]=4 9169 B17R2.5360 Fc1cc(ccc1CSc2ccccn2)I 62a_100010244991_100011216584 [0,2,0,0,0,0|2,0,0]=4 9170 B17R2.5360 Fc1cc(ccc1CSc2ccccn2)I 62a_100011216584_100010244991 [0,2,0,0,0,0|2,0,0]=4 9171 B17R2.5360 Fc1cc(ccc1CSc2cccnc2)Br 62a_100000210063_100000211606 [0,2,0,0,0,0|2,0,0]=4 9172 B17R2.5360 Fc1cc(ccc1CSc2cccnc2)Br 62a_100000211606_100000210063 [0,2,0,0,0,0|2,0,0]=4 9173 B17R2.5360 Fc1cc(ccc1CSc2cccnc2)Cl 62a_100000210063_100000709361 [0,2,0,0,0,0|2,0,0]=4 9174 B17R2.5360 Fc1cc(ccc1CSc2cccnc2)Cl 62a_100000709361_100000210063 [0,2,0,0,0,0|2,0,0]=4 9175 B17R2.5360 Fc1cc(ccc1CSc2cccnc2)I 62a_100000210063_100010244991 [0,2,0,0,0,0|2,0,0]=4 9176 B17R2.5360 Fc1cc(ccc1CSc2cccnc2)I 62a_100010244991_100000210063 [0,2,0,0,0,0|2,0,0]=4 9177 B17R2.5360 Fc1cc(ccc1CSc2ccncc2)Br 62a_100000211606_100000728582 [0,2,0,0,0,0|2,0,0]=4 9178 B17R2.5360 Fc1cc(ccc1CSc2ccncc2)Br 62a_100000728582_100000211606 [0,2,0,0,0,0|2,0,0]=4 9179 B17R2.5360 Fc1cc(ccc1CSc2ccncc2)Cl 62a_100000709361_100000728582 [0,2,0,0,0,0|2,0,0]=4 9180 B17R2.5360 Fc1cc(ccc1CSc2ccncc2)Cl 62a_100000728582_100000709361 [0,2,0,0,0,0|2,0,0]=4 9181 B17R2.5360 Fc1cc(ccc1CSc2ccncc2)I 62a_100000728582_100010244991 [0,2,0,0,0,0|2,0,0]=4 9182 B17R2.5360 Fc1cc(ccc1CSc2ccncc2)I 62a_100010244991_100000728582 [0,2,0,0,0,0|2,0,0]=4 9183 B17R2.5360 Fc1cc(ccc1NCc2ccccc2)Br 207a_100000210722_100015611070 [0,2,0,0,0,0|2,0,0]=4 9184 B17R2.5360 Fc1cc(ccc1NCc2ccccc2)Br 270302a_100000210722_100015611070 [0,2,0,0,0,0|2,0,0]=4 9185 B17R2.5360 Fc1cc(ccc1NCc2ccccc2)Br 34a_100000210722_100015291786 [0,2,0,0,0,0|2,0,0]=4 9186 B17R2.5360 Fc1cc(ccc1NCc2ccccc2)Cl 207a_100000211020_100015611070 [0,2,0,0,0,0|2,0,0]=4 9187 B17R2.5360 Fc1cc(ccc1NCc2ccccc2)Cl 270302a_100000211020_100015611070 [0,2,0,0,0,0|2,0,0]=4 9188 B17R2.5360 Fc1cc(ccc1NCc2ccccc2)Cl 34a_100000211020_100015291786 [0,2,0,0,0,0|2,0,0]=4 9189 B17R2.5360 Fc1cc(ccc1NCc2ccccc2)I 207a_100011215594_100015611070 [0,2,0,0,0,0|2,0,0]=4 9190 B17R2.5360 Fc1cc(ccc1NCc2ccccc2)I 270302a_100011215594_100015611070 [0,2,0,0,0,0|2,0,0]=4 9191 B17R2.5360 Fc1cc(ccc1NCc2ccccc2)I 34a_100011215594_100015291786 [0,2,0,0,0,0|2,0,0]=4 9192 B17R2.5360 Fc1cc(ccc1OCc2ccccc2)Br 34a_100000185481_100015291786 [0,2,0,0,0,0|1,1,0]=4 9193 B17R2.5360 Fc1cc(ccc1OCc2ccccc2)Br 7a_100000185481_100000211182 [0,2,0,0,0,0|1,1,0]=4 9194 B17R2.5360 Fc1cc(ccc1OCc2ccccc2)Cl 34a_100000230166_100015291786 [0,2,0,0,0,0|1,1,0]=4 9195 B17R2.5360 Fc1cc(ccc1OCc2ccccc2)Cl 7a_100000230166_100000211182 [0,2,0,0,0,0|1,1,0]=4 9196 B17R2.5360 Fc1cc(ccc1OCc2ccccc2)I 34a_100011356965_100015291786 [0,2,0,0,0,0|1,1,0]=4 9197 B17R2.5360 Fc1cc(ccc1OCc2ccccc2)I 7a_100011356965_100000211182 [0,2,0,0,0,0|1,1,0]=4 9198 B17R2.5360 Fc1cc(ccc1SCc2ccccc2)Br 62a_100000211182_100009814013 [0,2,0,0,0,0|1,0,0]=3 9199 B17R2.5360 Fc1cc(ccc1SCc2ccccc2)Br 62a_100009814013_100015291786 [0,2,0,0,0,0|1,0,0]=3 9200 B17R2.5360 Fc1cc(ccc1SCc2ccccc2)Cl 62a_100000211182_100011216042 [0,2,0,0,0,0|1,0,0]=3 9201 B17R2.5360 Fc1cc(ccc1SCc2ccccc2)Cl 62a_100011216042_100015291786 [0,2,0,0,0,0|1,0,0]=3 9202 B17R2.5360 Fc1cc(ccc1SCc2ccccn2)Br 62a_100000721315_100009814013 [0,2,0,0,0,0|2,0,0]=4 9203 B17R2.5360 Fc1cc(ccc1SCc2ccccn2)Br 62a_100009814013_100000721315 [0,2,0,0,0,0|2,0,0]=4 9204 B17R2.5360 Fc1cc(ccc1SCc2ccccn2)Cl 62a_100000721315_100011216042 [0,2,0,0,0,0|2,0,0]=4 9205 B17R2.5360 Fc1cc(ccc1SCc2ccccn2)Cl 62a_100011216042_100000721315 [0,2,0,0,0,0|2,0,0]=4 9206 B17R2.5360 Fc1cc(ccc1SCc2cccnc2)Br 62a_100000741622_100009814013 [0,2,0,0,0,0|2,0,0]=4 9207 B17R2.5360 Fc1cc(ccc1SCc2cccnc2)Br 62a_100009814013_100000741622 [0,2,0,0,0,0|2,0,0]=4 9208 B17R2.5360 Fc1cc(ccc1SCc2cccnc2)Cl 62a_100000741622_100011216042 [0,2,0,0,0,0|2,0,0]=4 9209 B17R2.5360 Fc1cc(ccc1SCc2cccnc2)Cl 62a_100011216042_100000741622 [0,2,0,0,0,0|2,0,0]=4 9210 B17R2.5360 Fc1cc(ccc1SCc2ccncc2)Br 62a_100009814013_100015193705 [0,2,0,0,0,0|2,0,0]=4 9211 B17R2.5360 Fc1cc(ccc1SCc2ccncc2)Br 62a_100015193705_100009814013 [0,2,0,0,0,0|2,0,0]=4 9212 B17R2.5360 Fc1cc(ccc1SCc2ccncc2)Cl 62a_100011216042_100015193705 [0,2,0,0,0,0|2,0,0]=4 9213 B17R2.5360 Fc1cc(ccc1SCc2ccncc2)Cl 62a_100015193705_100011216042 [0,2,0,0,0,0|2,0,0]=4 9214 B17R2.5360 Fc1cc(cnc1CSc2ccccc2)Cl 62a_100000719477_200009879301 [0,2,0,0,0,0|2,0,0]=4 9215 B17R2.5360 Fc1cc(cnc1CSc2ccccc2)Cl 62a_200009879301_100000041952 [0,2,0,0,0,0|2,0,0]=4 9216 B17R2.5360 Fc1cc(cnc1SCc2ccccc2)Br 62a_100000211182_100012348576 [0,2,0,0,0,0|2,0,0]=4 9217 B17R2.5360 Fc1cc(cnc1SCc2ccccc2)Br 62a_100012348576_100015291786 [0,2,0,0,0,0|2,0,0]=4 9218 B17R2.5360 Fc1cc(cnc1SCc2ccccc2)Cl 62a_100000211182_100012348686 [0,2,0,0,0,0|2,0,0]=4 9219 B17R2.5360 Fc1cc(cnc1SCc2ccccc2)Cl 62a_100012348686_100015291786 [0,2,0,0,0,0|2,0,0]=4 9220 B17R2.5360 Fc1cc(ncc1SCc2ccccc2)Cl 62a_100000211182_100010128100 [0,2,0,0,0,0|2,0,0]=4 9221 B17R2.5360 Fc1cc(ncc1SCc2ccccc2)Cl 62a_100010128100_100015291786 [0,2,0,0,0,0|2,0,0]=4 9222 B17R2.5360 Fc1ccc(c(c1)Br)C#Cc2ccccc2 271570a_100000069678_100011217111 [0,2,0,0,0,0|2,0,0]=4 9223 B17R2.5360 Fc1ccc(c(c1)Br)C=Cc2ccccc2 271570a_100102527694_100011217111 [0,2,0,0,0,0|2,0,0]=4 9224 B17R2.5360 Fc1ccc(c(c1)Br)CNc2ccccc2 207a_100000106764_100000685661 [0,2,0,0,0,0|2,0,0]=4 9225 B17R2.5360 Fc1ccc(c(c1)Br)CNc2ccccc2 34a_100000106764_100000243222 [0,2,0,0,0,0|2,0,0]=4 9226 B17R2.5360 Fc1ccc(c(c1)Br)COc2ccccc2 34a_100000210340_100000243222 [0,2,0,0,0,0|1,1,0]=4 9227 B17R2.5360 Fc1ccc(c(c1)Br)COc2ccccc2 7a_100000210340_100000243222 [0,2,0,0,0,0|1,1,0]=4 9228 B17R2.5360 Fc1ccc(c(c1)Br)CSc2ccccc2 62a_100000243222_100000041952 [0,2,0,0,0,0|1,0,0]=3 9229 B17R2.5360 Fc1ccc(c(c1)Br)CSc2ccccc2 62a_100000719477_100000243222 [0,2,0,0,0,0|1,0,0]=3 9230 B17R2.5360 Fc1ccc(c(c1)Br)CSc2ccccn2 62a_100000243222_100011216584 [0,2,0,0,0,0|2,0,0]=4 9231 B17R2.5360 Fc1ccc(c(c1)Br)CSc2ccccn2 62a_100011216584_100000243222 [0,2,0,0,0,0|2,0,0]=4 9232 B17R2.5360 Fc1ccc(c(c1)Br)CSc2cccnc2 62a_100000210063_100000243222 [0,2,0,0,0,0|2,0,0]=4 9233 B17R2.5360 Fc1ccc(c(c1)Br)CSc2cccnc2 62a_100000243222_100000210063 [0,2,0,0,0,0|2,0,0]=4 9234 B17R2.5360 Fc1ccc(c(c1)Br)CSc2ccncc2 62a_100000243222_100000728582 [0,2,0,0,0,0|2,0,0]=4 9235 B17R2.5360 Fc1ccc(c(c1)Br)CSc2ccncc2 62a_100000728582_100000243222 [0,2,0,0,0,0|2,0,0]=4 9236 B17R2.5360 Fc1ccc(c(c1)Br)NCc2ccccc2 270302a_100000738039_100015611070 [0,2,0,0,0,0|2,0,0]=4 9237 B17R2.5360 Fc1ccc(c(c1)Br)NCc2ccccc2 34a_100000738039_100015291786 [0,2,0,0,0,0|2,0,0]=4 9238 B17R2.5360 Fc1ccc(c(c1)Br)OCc2ccccc2 34a_100000211999_100015291786 [0,2,0,0,0,0|1,1,0]=4 9239 B17R2.5360 Fc1ccc(c(c1)Br)OCc2ccccc2 7a_100000211999_100000211182 [0,2,0,0,0,0|1,1,0]=4 9240 B17R2.5360 Fc1ccc(c(c1)Br)SCc2ccccc2 62a_100000211182_100011217111 [0,2,0,0,0,0|1,0,0]=3 9241 B17R2.5360 Fc1ccc(c(c1)Br)SCc2ccccc2 62a_100011217111_100015291786 [0,2,0,0,0,0|1,0,0]=3 9242 B17R2.5360 Fc1ccc(c(c1)Br)SCc2ccccn2 62a_100000721315_100011217111 [0,2,0,0,0,0|2,0,0]=4 9243 B17R2.5360 Fc1ccc(c(c1)Br)SCc2ccccn2 62a_100011217111_100000721315 [0,2,0,0,0,0|2,0,0]=4 9244 B17R2.5360 Fc1ccc(c(c1)Br)SCc2cccnc2 62a_100000741622_100011217111 [0,2,0,0,0,0|2,0,0]=4 9245 B17R2.5360 Fc1ccc(c(c1)Br)SCc2cccnc2 62a_100011217111_100000741622 [0,2,0,0,0,0|2,0,0]=4 9246 B17R2.5360 Fc1ccc(c(c1)Br)SCc2ccncc2 62a_100011217111_100015193705 [0,2,0,0,0,0|2,0,0]=4 9247 B17R2.5360 Fc1ccc(c(c1)Br)SCc2ccncc2 62a_100015193705_100011217111 [0,2,0,0,0,0|2,0,0]=4 9248 B17R2.5360 Fc1ccc(c(c1)Cl)C#Cc2ccccc2 271570a_100000069678_100000733362 [0,2,0,0,0,0|2,0,0]=4 9249 B17R2.5360 Fc1ccc(c(c1)Cl)C=Cc2ccccc2 271570a_100102527694_100000733362 [0,2,0,0,0,0|2,0,0]=4 9250 B17R2.5360 Fc1ccc(c(c1)Cl)CNc2ccccc2 207a_100000106764_100000752949 [0,2,0,0,0,0|2,0,0]=4 9251 B17R2.5360 Fc1ccc(c(c1)Cl)CNc2ccccc2 270302a_100000106764_100000752949 [0,2,0,0,0,0|2,0,0]=4 9252 B17R2.5360 Fc1ccc(c(c1)Cl)CNc2ccccc2 34a_100000106764_100011216360 [0,2,0,0,0,0|2,0,0]=4 9253 B17R2.5360 Fc1ccc(c(c1)Cl)COc2ccccc2 34a_100000210340_100011216360 [0,2,0,0,0,0|1,1,0]=4 9254 B17R2.5360 Fc1ccc(c(c1)Cl)COc2ccccc2 7a_100000210340_100011216360 [0,2,0,0,0,0|1,1,0]=4 9255 B17R2.5360 Fc1ccc(c(c1)Cl)CSc2ccccc2 62a_100000187853_100000041952 [0,2,0,0,0,0|1,0,0]=3 9256 B17R2.5360 Fc1ccc(c(c1)Cl)CSc2ccccc2 62a_100000719477_100000187853 [0,2,0,0,0,0|1,0,0]=3 9257 B17R2.5360 Fc1ccc(c(c1)Cl)CSc2ccccn2 62a_100000187853_100011216584 [0,2,0,0,0,0|2,0,0]=4 9258 B17R2.5360 Fc1ccc(c(c1)Cl)CSc2ccccn2 62a_100011216584_100000187853 [0,2,0,0,0,0|2,0,0]=4 9259 B17R2.5360 Fc1ccc(c(c1)Cl)CSc2cccnc2 62a_100000187853_100000210063 [0,2,0,0,0,0|2,0,0]=4 9260 B17R2.5360 Fc1ccc(c(c1)Cl)CSc2cccnc2 62a_100000210063_100000187853 [0,2,0,0,0,0|2,0,0]=4 9261 B17R2.5360 Fc1ccc(c(c1)Cl)CSc2ccncc2 62a_100000187853_100000728582 [0,2,0,0,0,0|2,0,0]=4 9262 B17R2.5360 Fc1ccc(c(c1)Cl)CSc2ccncc2 62a_100000728582_100000187853 [0,2,0,0,0,0|2,0,0]=4 9263 B17R2.5360 Fc1ccc(c(c1)Cl)NCc2ccccc2 270302a_100000212003_100015611070 [0,2,0,0,0,0|2,0,0]=4 9264 B17R2.5360 Fc1ccc(c(c1)Cl)NCc2ccccc2 34a_100000212003_100015291786 [0,2,0,0,0,0|2,0,0]=4 9265 B17R2.5360 Fc1ccc(c(c1)Cl)OCc2ccccc2 34a_100000212004_100015291786 [0,2,0,0,0,0|1,1,0]=4 9266 B17R2.5360 Fc1ccc(c(c1)Cl)OCc2ccccc2 7a_100000212004_100000211182 [0,2,0,0,0,0|1,1,0]=4 9267 B17R2.5360 Fc1ccc(c(c1)Cl)SCc2ccccc2 62a_100000211182_100000733362 [0,2,0,0,0,0|1,0,0]=3 9268 B17R2.5360 Fc1ccc(c(c1)Cl)SCc2ccccc2 62a_100000733362_100015291786 [0,2,0,0,0,0|1,0,0]=3 9269 B17R2.5360 Fc1ccc(c(c1)Cl)SCc2ccccn2 62a_100000721315_100000733362 [0,2,0,0,0,0|2,0,0]=4 9270 B17R2.5360 Fc1ccc(c(c1)Cl)SCc2ccccn2 62a_100000733362_100000721315 [0,2,0,0,0,0|2,0,0]=4 9271 B17R2.5360 Fc1ccc(c(c1)Cl)SCc2cccnc2 62a_100000733362_100000741622 [0,2,0,0,0,0|2,0,0]=4 9272 B17R2.5360 Fc1ccc(c(c1)Cl)SCc2cccnc2 62a_100000741622_100000733362 [0,2,0,0,0,0|2,0,0]=4 9273 B17R2.5360 Fc1ccc(c(c1)Cl)SCc2ccncc2 62a_100000733362_100015193705 [0,2,0,0,0,0|2,0,0]=4 9274 B17R2.5360 Fc1ccc(c(c1)Cl)SCc2ccncc2 62a_100015193705_100000733362 [0,2,0,0,0,0|2,0,0]=4 9275 B17R2.5360 Fc1ccc(c(c1)F)C#Cc2ccccc2 271570a_100000069678_100000750030 [0,2,0,0,0,0|2,0,0]=4 9276 B17R2.5360 Fc1ccc(c(c1)F)C=Cc2ccccc2 271570a_100102527694_100000750030 [0,2,0,0,0,0|2,0,0]=4 9277 B17R2.5360 Fc1ccc(c(c1)F)C=Cc2ccccc2 271570a_100102527928_100000210277 [0,2,0,0,0,0|2,0,0]=4 9278 B17R2.5360 Fc1ccc(c(c1)F)CNc2ccccc2 207a_100000106764_100000211964 [0,2,0,0,0,0|2,0,0]=4 9279 B17R2.5360 Fc1ccc(c(c1)F)CNc2ccccc2 34a_100000106764_100000748237 [0,2,0,0,0,0|2,0,0]=4 9280 B17R2.5360 Fc1ccc(c(c1)F)COc2ccccc2 34a_100000210340_100000748237 [0,2,0,0,0,0|1,1,0]=4 9281 B17R2.5360 Fc1ccc(c(c1)F)COc2ccccc2 7a_100000210340_100000748237 [0,2,0,0,0,0|1,1,0]=4 9282 B17R2.5360 Fc1ccc(c(c1)F)CSc2ccccc2 62a_100000719477_100000748237 [0,2,0,0,0,0|1,0,0]=3 9283 B17R2.5360 Fc1ccc(c(c1)F)CSc2ccccc2 62a_100000748237_100000041952 [0,2,0,0,0,0|1,0,0]=3 9284 B17R2.5360 Fc1ccc(c(c1)F)CSc2ccccn2 62a_100000748237_100011216584 [0,2,0,0,0,0|2,0,0]=4 9285 B17R2.5360 Fc1ccc(c(c1)F)CSc2ccccn2 62a_100011216584_100000748237 [0,2,0,0,0,0|2,0,0]=4 9286 B17R2.5360 Fc1ccc(c(c1)F)CSc2cccnc2 62a_100000210063_100000748237 [0,2,0,0,0,0|2,0,0]=4 9287 B17R2.5360 Fc1ccc(c(c1)F)CSc2cccnc2 62a_100000748237_100000210063 [0,2,0,0,0,0|2,0,0]=4 9288 B17R2.5360 Fc1ccc(c(c1)F)CSc2ccncc2 62a_100000728582_100000748237 [0,2,0,0,0,0|2,0,0]=4 9289 B17R2.5360 Fc1ccc(c(c1)F)CSc2ccncc2 62a_100000748237_100000728582 [0,2,0,0,0,0|2,0,0]=4 9290 B17R2.5360 Fc1ccc(c(c1)F)NCc2ccccc2 207a_100000210720_100015611070 [0,2,0,0,0,0|2,0,0]=4 9291 B17R2.5360 Fc1ccc(c(c1)F)NCc2ccccc2 270302a_100000210720_100015611070 [0,2,0,0,0,0|2,0,0]=4 9292 B17R2.5360 Fc1ccc(c(c1)F)NCc2ccccc2 34a_100000210720_100015291786 [0,2,0,0,0,0|2,0,0]=4 9293 B17R2.5360 Fc1ccc(c(c1)F)OCc2ccccc2 34a_100000230127_100015291786 [0,2,0,0,0,0|1,1,0]=4 9294 B17R2.5360 Fc1ccc(c(c1)F)OCc2ccccc2 7a_100000230127_100000211182 [0,2,0,0,0,0|1,1,0]=4 9295 B17R2.5360 Fc1ccc(c(c1)F)SCc2ccccc2 62a_100000211182_100000750030 [0,2,0,0,0,0|1,0,0]=3 9296 B17R2.5360 Fc1ccc(c(c1)F)SCc2ccccc2 62a_100000750030_100015291786 [0,2,0,0,0,0|1,0,0]=3 9297 B17R2.5360 Fc1ccc(c(c1)F)SCc2ccccn2 62a_100000721315_100000750030 [0,2,0,0,0,0|2,0,0]=4 9298 B17R2.5360 Fc1ccc(c(c1)F)SCc2ccccn2 62a_100000750030_100000721315 [0,2,0,0,0,0|2,0,0]=4 9299 B17R2.5360 Fc1ccc(c(c1)F)SCc2cccnc2 62a_100000741622_100000750030 [0,2,0,0,0,0|2,0,0]=4 9300 B17R2.5360 Fc1ccc(c(c1)F)SCc2cccnc2 62a_100000750030_100000741622 [0,2,0,0,0,0|2,0,0]=4 9301 B17R2.5360 Fc1ccc(c(c1)F)SCc2ccncc2 62a_100000750030_100015193705 [0,2,0,0,0,0|2,0,0]=4 9302 B17R2.5360 Fc1ccc(c(c1)F)SCc2ccncc2 62a_100015193705_100000750030 [0,2,0,0,0,0|2,0,0]=4 9303 B17R2.5360 Fc1ccc(c(c1)I)CNc2ccccc2 207a_100000106764_100010254405 [0,2,0,0,0,0|2,0,0]=4 9304 B17R2.5360 Fc1ccc(c(c1)I)CNc2ccccc2 34a_100000106764_100012354799 [0,2,0,0,0,0|2,0,0]=4 9305 B17R2.5360 Fc1ccc(c(c1)I)COc2ccccc2 34a_100000210340_100012354799 [0,2,0,0,0,0|1,1,0]=4 9306 B17R2.5360 Fc1ccc(c(c1)I)COc2ccccc2 7a_100000210340_100012354799 [0,2,0,0,0,0|1,1,0]=4 9307 B17R2.5360 Fc1ccc(c(c1)I)CSc2ccccc2 62a_100000719477_100012354799 [0,2,0,0,0,0|1,0,0]=3 9308 B17R2.5360 Fc1ccc(c(c1)I)CSc2ccccc2 62a_100012354799_100000041952 [0,2,0,0,0,0|1,0,0]=3 9309 B17R2.5360 Fc1ccc(c(c1)I)CSc2ccccn2 62a_100011216584_100012354799 [0,2,0,0,0,0|2,0,0]=4 9310 B17R2.5360 Fc1ccc(c(c1)I)CSc2ccccn2 62a_100012354799_100011216584 [0,2,0,0,0,0|2,0,0]=4 9311 B17R2.5360 Fc1ccc(c(c1)I)CSc2cccnc2 62a_100000210063_100012354799 [0,2,0,0,0,0|2,0,0]=4 9312 B17R2.5360 Fc1ccc(c(c1)I)CSc2cccnc2 62a_100012354799_100000210063 [0,2,0,0,0,0|2,0,0]=4 9313 B17R2.5360 Fc1ccc(c(c1)I)CSc2ccncc2 62a_100000728582_100012354799 [0,2,0,0,0,0|2,0,0]=4 9314 B17R2.5360 Fc1ccc(c(c1)I)CSc2ccncc2 62a_100012354799_100000728582 [0,2,0,0,0,0|2,0,0]=4 9315 B17R2.5360 Fc1ccc(c(c1)I)NCc2ccccc2 34a_100000760547_100015291786 [0,2,0,0,0,0|2,0,0]=4 9316 B17R2.5360 Fc1ccc(c(c1)I)OCc2ccccc2 34a_100012355409_100015291786 [0,2,0,0,0,0|1,1,0]=4 9317 B17R2.5360 Fc1ccc(c(c1)I)OCc2ccccc2 7a_100012355409_100000211182 [0,2,0,0,0,0|1,1,0]=4 9318 B17R2.5360 Fc1ccc(c(n1)F)SCc2ccccc2 62a_100000070099_100015291786 [0,2,0,0,0,0|2,0,0]=4 9319 B17R2.5360 Fc1ccc(c(n1)F)SCc2ccccc2 62a_100000211182_100000070099 [0,2,0,0,0,0|2,0,0]=4 9320 B17R2.5360 Fc1cnc(c(c1)F)SCc2ccccc2 62a_100000211182_100011219543 [0,2,0,0,0,0|2,0,0]=4 9321 B17R2.5360 Fc1cnc(c(c1)F)SCc2ccccc2 62a_100011219543_100015291786 [0,2,0,0,0,0|2,0,0]=4 9322 B17R2.5360 Fc1nc(ccc1SCc2ccccc2)Cl 62a_100000211182_100010168078 [0,2,0,0,0,0|2,0,0]=4 9323 B17R2.5360 Fc1nc(ccc1SCc2ccccc2)Cl 62a_100010168078_100015291786 [0,2,0,0,0,0|2,0,0]=4 9324 B17R2.5360 Ic1ccc(c(c1)I)OCc2ccccc2 7a_100010001573_100000211182 [0,2,0,0,0,0|1,1,0]=4 9325 B17R2.5360 Nc1[nH]c(=O)ccc1SCc2ccccc2 62a_100009884077_100015291786 [0,2,0,0,0,0|2,0,0]=4 9326 B17R2.5360 Nc1cc(c(cn1)SCc2ccccc2)Br 62a_100000211182_100010074611 [0,2,0,0,0,0|2,0,0]=4 9327 B17R2.5360 Nc1cc(c(cn1)SCc2ccccc2)Br 62a_100010074611_100015291786 [0,2,0,0,0,0|2,0,0]=4 9328 B17R2.5360 Nc1cc(c(cn1)SCc2ccccc2)Cl 62a_100000211182_100000694920 [0,2,0,0,0,0|2,0,0]=4 9329 B17R2.5360 Nc1cc(c(cn1)SCc2ccccc2)Cl 62a_100000694920_100015291786 [0,2,0,0,0,0|2,0,0]=4 9330 B17R2.5360 Nc1cc(c(cn1)SCc2ccccc2)F 62a_100000211182_100009844730 [0,2,0,0,0,0|2,0,0]=4 9331 B17R2.5360 Nc1cc(c(cn1)SCc2ccccc2)F 62a_100009844730_100015291786 [0,2,0,0,0,0|2,0,0]=4 9332 B17R2.5360 Nc1cc(c(cn1)SCc2ccccc2)N 62a_100000211182_200009857908 [0,2,0,0,0,0|2,0,0]=4 9333 B17R2.5360 Nc1cc(c(cn1)SCc2ccccc2)N 62a_200009857908_100015291786 [0,2,0,0,0,0|2,0,0]=4 9334 B17R2.5360 Nc1cc(ccc1C#Cc2ccccc2)Br 271570a_100000069678_100000743836 [0,2,0,0,0,0|2,0,0]=4 9335 B17R2.5360 Nc1cc(ccc1C#Cc2ccccc2)Cl 271570a_100000069678_100000761886 [0,2,0,0,0,0|2,0,0]=4 9336 B17R2.5360 Nc1cc(ccc1C#Cc2ccccc2)F 271570a_100000069678_100011218093 [0,2,0,0,0,0|2,0,0]=4 9337 B17R2.5360 Nc1cc(ccc1C#Cc2ccccc2)O 271570a_100000069678_100011999798 [0,2,0,0,0,0|2,0,0]=4 9338 B17R2.5360 Nc1cc(ccc1C=Cc2ccccc2)Br 271570a_100102527694_100000743836 [0,2,0,0,0,0|2,0,0]=4 9339 B17R2.5360 Nc1cc(ccc1C=Cc2ccccc2)Cl 271570a_100102527694_100000761886 [0,2,0,0,0,0|2,0,0]=4 9340 B17R2.5360 Nc1cc(ccc1C=Cc2ccccc2)F 271570a_100102527694_100011218093 [0,2,0,0,0,0|2,0,0]=4 9341 B17R2.5360 Nc1cc(ccc1C=Cc2ccccc2)O 271570a_100102527694_100011999798 [0,2,0,0,0,0|2,0,0]=4 9342 B17R2.5360 Nc1cc(ccc1OCc2ccccc2)Br 34a_100000752626_100015291786 [0,2,0,0,0,0|1,1,0]=4 9343 B17R2.5360 Nc1cc(ccc1OCc2ccccc2)Br 7a_100000752626_100000211182 [0,2,0,0,0,0|1,1,0]=4 9344 B17R2.5360 Nc1cc(ccc1OCc2ccccc2)Cl 34a_100000210500_100015291786 [0,2,0,0,0,0|1,1,0]=4 9345 B17R2.5360 Nc1cc(ccc1OCc2ccccc2)Cl 7a_100000210500_100000211182 [0,2,0,0,0,0|1,1,0]=4 9346 B17R2.5360 Nc1cc(ccc1OCc2ccccc2)F 34a_100000759472_100015291786 [0,2,0,0,0,0|1,1,0]=4 9347 B17R2.5360 Nc1cc(ccc1OCc2ccccc2)F 7a_100000759472_100000211182 [0,2,0,0,0,0|1,1,0]=4 9348 B17R2.5360 Nc1cc(ccc1OCc2ccccc2)I 34a_100000753495_100015291786 [0,2,0,0,0,0|1,1,0]=4 9349 B17R2.5360 Nc1cc(ccc1OCc2ccccc2)I 7a_100000753495_100000211182 [0,2,0,0,0,0|1,1,0]=4 9350 B17R2.5360 Nc1cc(ccc1OCc2ccccc2)O 271570a_203496583355_200011228974 [0,2,0,0,0,0|1,1,0]=4 9351 B17R2.5360 Nc1cc(ccc1SCc2ccccc2)Br 62a_100000211182_100000743836 [0,2,0,0,0,0|1,0,0]=3 9352 B17R2.5360 Nc1cc(ccc1SCc2ccccc2)Br 62a_100000743836_100015291786 [0,2,0,0,0,0|1,0,0]=3 9353 B17R2.5360 Nc1cc(ccc1SCc2ccccc2)Cl 62a_100000211182_100000761886 [0,2,0,0,0,0|1,0,0]=3 9354 B17R2.5360 Nc1cc(ccc1SCc2ccccc2)Cl 62a_100000761886_100015291786 [0,2,0,0,0,0|1,0,0]=3 9355 B17R2.5360 Nc1cc(ccc1SCc2ccccc2)F 62a_100000211182_100000687223 [0,2,0,0,0,0|1,0,0]=3 9356 B17R2.5360 Nc1cc(ccc1SCc2ccccc2)F 62a_100000687223_100015291786 [0,2,0,0,0,0|1,0,0]=3 9357 B17R2.5360 Nc1cc(ccc1SCc2ccccc2)O 62a_100000211182_100011999798 [0,2,0,0,0,0|1,0,0]=3 9358 B17R2.5360 Nc1cc(ccc1SCc2ccccc2)O 62a_100011999798_100015291786 [0,2,0,0,0,0|1,0,0]=3 9359 B17R2.5360 Nc1cc(ccc1SCc2ccccn2)Br 62a_100000721315_100000743836 [0,2,0,0,0,0|2,0,0]=4 9360 B17R2.5360 Nc1cc(ccc1SCc2ccccn2)Br 62a_100000743836_100000721315 [0,2,0,0,0,0|2,0,0]=4 9361 B17R2.5360 Nc1cc(ccc1SCc2ccccn2)Cl 62a_100000721315_100000761886 [0,2,0,0,0,0|2,0,0]=4 9362 B17R2.5360 Nc1cc(ccc1SCc2ccccn2)Cl 62a_100000761886_100000721315 [0,2,0,0,0,0|2,0,0]=4 9363 B17R2.5360 Nc1cc(ccc1SCc2ccccn2)F 62a_100000687223_100000721315 [0,2,0,0,0,0|2,0,0]=4 9364 B17R2.5360 Nc1cc(ccc1SCc2ccccn2)F 62a_100000721315_100000687223 [0,2,0,0,0,0|2,0,0]=4 9365 B17R2.5360 Nc1cc(ccc1SCc2ccccn2)O 62a_100000721315_100011999798 [0,2,0,0,0,0|2,0,0]=4 9366 B17R2.5360 Nc1cc(ccc1SCc2ccccn2)O 62a_100011999798_100000721315 [0,2,0,0,0,0|2,0,0]=4 9367 B17R2.5360 Nc1cc(ccc1SCc2cccnc2)Br 62a_100000741622_100000743836 [0,2,0,0,0,0|2,0,0]=4 9368 B17R2.5360 Nc1cc(ccc1SCc2cccnc2)Br 62a_100000743836_100000741622 [0,2,0,0,0,0|2,0,0]=4 9369 B17R2.5360 Nc1cc(ccc1SCc2cccnc2)Cl 62a_100000741622_100000761886 [0,2,0,0,0,0|2,0,0]=4 9370 B17R2.5360 Nc1cc(ccc1SCc2cccnc2)Cl 62a_100000761886_100000741622 [0,2,0,0,0,0|2,0,0]=4 9371 B17R2.5360 Nc1cc(ccc1SCc2cccnc2)F 62a_100000687223_100000741622 [0,2,0,0,0,0|2,0,0]=4 9372 B17R2.5360 Nc1cc(ccc1SCc2cccnc2)F 62a_100000741622_100000687223 [0,2,0,0,0,0|2,0,0]=4 9373 B17R2.5360 Nc1cc(ccc1SCc2cccnc2)O 62a_100000741622_100011999798 [0,2,0,0,0,0|2,0,0]=4 9374 B17R2.5360 Nc1cc(ccc1SCc2cccnc2)O 62a_100011999798_100000741622 [0,2,0,0,0,0|2,0,0]=4 9375 B17R2.5360 Nc1cc(ccc1SCc2ccncc2)Br 62a_100000743836_100015193705 [0,2,0,0,0,0|2,0,0]=4 9376 B17R2.5360 Nc1cc(ccc1SCc2ccncc2)Br 62a_100015193705_100000743836 [0,2,0,0,0,0|2,0,0]=4 9377 B17R2.5360 Nc1cc(ccc1SCc2ccncc2)Cl 62a_100000761886_100015193705 [0,2,0,0,0,0|2,0,0]=4 9378 B17R2.5360 Nc1cc(ccc1SCc2ccncc2)Cl 62a_100015193705_100000761886 [0,2,0,0,0,0|2,0,0]=4 9379 B17R2.5360 Nc1cc(ccc1SCc2ccncc2)F 62a_100000687223_100015193705 [0,2,0,0,0,0|2,0,0]=4 9380 B17R2.5360 Nc1cc(ccc1SCc2ccncc2)F 62a_100015193705_100000687223 [0,2,0,0,0,0|2,0,0]=4 9381 B17R2.5360 Nc1cc(ccc1SCc2ccncc2)O 62a_100011999798_100015193705 [0,2,0,0,0,0|2,0,0]=4 9382 B17R2.5360 Nc1cc(ccc1SCc2ccncc2)O 62a_100015193705_100011999798 [0,2,0,0,0,0|2,0,0]=4 9383 B17R2.5360 Nc1cc(cnc1SCc2ccccc2)Br 62a_100000211182_100010090555 [0,2,0,0,0,0|2,0,0]=4 9384 B17R2.5360 Nc1cc(cnc1SCc2ccccc2)Br 62a_100010090555_100015291786 [0,2,0,0,0,0|2,0,0]=4 9385 B17R2.5360 Nc1cc(cnc1SCc2ccccc2)F 62a_100000211182_100009817643 [0,2,0,0,0,0|2,0,0]=4 9386 B17R2.5360 Nc1cc(cnc1SCc2ccccc2)F 62a_100009817643_100015291786 [0,2,0,0,0,0|2,0,0]=4 9387 B17R2.5360 Nc1cc(ncc1SCc2ccccc2)Cl 62a_100000211182_100010209552 [0,2,0,0,0,0|2,0,0]=4 9388 B17R2.5360 Nc1cc(ncc1SCc2ccccc2)Cl 62a_100010209552_100015291786 [0,2,0,0,0,0|2,0,0]=4 9389 B17R2.5360 Nc1ccc(c(c1)Br)C#Cc2ccccc2 271570a_100000069678_100000750458 [0,2,0,0,0,0|2,0,0]=4 9390 B17R2.5360 Nc1ccc(c(c1)Br)C=Cc2ccccc2 271570a_100102527694_100000750458 [0,2,0,0,0,0|2,0,0]=4 9391 B17R2.5360 Nc1ccc(c(c1)Br)OCc2ccccc2 34a_100011534360_100015291786 [0,2,0,0,0,0|1,1,0]=4 9392 B17R2.5360 Nc1ccc(c(c1)Br)OCc2ccccc2 7a_100011534360_100000211182 [0,2,0,0,0,0|1,1,0]=4 9393 B17R2.5360 Nc1ccc(c(c1)Br)SCc2ccccc2 62a_100000211182_100000750458 [0,2,0,0,0,0|1,0,0]=3 9394 B17R2.5360 Nc1ccc(c(c1)Br)SCc2ccccc2 62a_100000750458_100015291786 [0,2,0,0,0,0|1,0,0]=3 9395 B17R2.5360 Nc1ccc(c(c1)Br)SCc2ccccn2 62a_100000721315_100000750458 [0,2,0,0,0,0|2,0,0]=4 9396 B17R2.5360 Nc1ccc(c(c1)Br)SCc2ccccn2 62a_100000750458_100000721315 [0,2,0,0,0,0|2,0,0]=4 9397 B17R2.5360 Nc1ccc(c(c1)Br)SCc2cccnc2 62a_100000741622_100000750458 [0,2,0,0,0,0|2,0,0]=4 9398 B17R2.5360 Nc1ccc(c(c1)Br)SCc2cccnc2 62a_100000750458_100000741622 [0,2,0,0,0,0|2,0,0]=4 9399 B17R2.5360 Nc1ccc(c(c1)Br)SCc2ccncc2 62a_100000750458_100015193705 [0,2,0,0,0,0|2,0,0]=4 9400 B17R2.5360 Nc1ccc(c(c1)Br)SCc2ccncc2 62a_100015193705_100000750458 [0,2,0,0,0,0|2,0,0]=4 9401 B17R2.5360 Nc1ccc(c(c1)Cl)C#Cc2ccccc2 271570a_100000069678_100000761885 [0,2,0,0,0,0|2,0,0]=4 9402 B17R2.5360 Nc1ccc(c(c1)Cl)C=Cc2ccccc2 271570a_100102527694_100000761885 [0,2,0,0,0,0|2,0,0]=4 9403 B17R2.5360 Nc1ccc(c(c1)Cl)OCc2ccccc2 34a_100000744943_100015291786 [0,2,0,0,0,0|1,1,0]=4 9404 B17R2.5360 Nc1ccc(c(c1)Cl)OCc2ccccc2 7a_100000744943_100000211182 [0,2,0,0,0,0|1,1,0]=4 9405 B17R2.5360 Nc1ccc(c(c1)Cl)SCc2ccccc2 62a_100000211182_100000761885 [0,2,0,0,0,0|1,0,0]=3 9406 B17R2.5360 Nc1ccc(c(c1)Cl)SCc2ccccc2 62a_100000761885_100015291786 [0,2,0,0,0,0|1,0,0]=3 9407 B17R2.5360 Nc1ccc(c(c1)Cl)SCc2ccccn2 62a_100000721315_100000761885 [0,2,0,0,0,0|2,0,0]=4 9408 B17R2.5360 Nc1ccc(c(c1)Cl)SCc2ccccn2 62a_100000761885_100000721315 [0,2,0,0,0,0|2,0,0]=4 9409 B17R2.5360 Nc1ccc(c(c1)Cl)SCc2cccnc2 62a_100000741622_100000761885 [0,2,0,0,0,0|2,0,0]=4 9410 B17R2.5360 Nc1ccc(c(c1)Cl)SCc2cccnc2 62a_100000761885_100000741622 [0,2,0,0,0,0|2,0,0]=4 9411 B17R2.5360 Nc1ccc(c(c1)Cl)SCc2ccncc2 62a_100000761885_100015193705 [0,2,0,0,0,0|2,0,0]=4 9412 B17R2.5360 Nc1ccc(c(c1)Cl)SCc2ccncc2 62a_100015193705_100000761885 [0,2,0,0,0,0|2,0,0]=4 9413 B17R2.5360 Nc1ccc(c(c1)F)C#Cc2ccccc2 271570a_100000069678_100011356925 [0,2,0,0,0,0|2,0,0]=4 9414 B17R2.5360 Nc1ccc(c(c1)F)C=Cc2ccccc2 271570a_100102527694_100011356925 [0,2,0,0,0,0|2,0,0]=4 9415 B17R2.5360 Nc1ccc(c(c1)F)OCc2ccccc2 34a_100011220035_100015291786 [0,2,0,0,0,0|1,1,0]=4 9416 B17R2.5360 Nc1ccc(c(c1)F)OCc2ccccc2 7a_100011220035_100000211182 [0,2,0,0,0,0|1,1,0]=4 9417 B17R2.5360 Nc1ccc(c(c1)F)SCc2ccccc2 62a_100000211182_100011356925 [0,2,0,0,0,0|1,0,0]=3 9418 B17R2.5360 Nc1ccc(c(c1)F)SCc2ccccc2 62a_100011356925_100015291786 [0,2,0,0,0,0|1,0,0]=3 9419 B17R2.5360 Nc1ccc(c(c1)F)SCc2ccccn2 62a_100000721315_100011356925 [0,2,0,0,0,0|2,0,0]=4 9420 B17R2.5360 Nc1ccc(c(c1)F)SCc2ccccn2 62a_100011356925_100000721315 [0,2,0,0,0,0|2,0,0]=4 9421 B17R2.5360 Nc1ccc(c(c1)F)SCc2cccnc2 62a_100000741622_100011356925 [0,2,0,0,0,0|2,0,0]=4 9422 B17R2.5360 Nc1ccc(c(c1)F)SCc2cccnc2 62a_100011356925_100000741622 [0,2,0,0,0,0|2,0,0]=4 9423 B17R2.5360 Nc1ccc(c(c1)F)SCc2ccncc2 62a_100011356925_100015193705 [0,2,0,0,0,0|2,0,0]=4 9424 B17R2.5360 Nc1ccc(c(c1)F)SCc2ccncc2 62a_100015193705_100011356925 [0,2,0,0,0,0|2,0,0]=4 9425 B17R2.5360 Nc1ccc(c(c1)N)C#Cc2ccccc2 271570a_100000069678_200012175722 [0,2,0,0,0,0|2,0,0]=4 9426 B17R2.5360 Nc1ccc(c(c1)N)C=Cc2ccccc2 271570a_100102527694_200012175722 [0,2,0,0,0,0|2,0,0]=4 9427 B17R2.5360 Nc1ccc(c(c1)N)OCc2ccccc2 34a_100000725306_100015291786 [0,2,0,0,0,0|1,1,0]=4 9428 B17R2.5360 Nc1ccc(c(c1)N)SCc2ccccc2 62a_100000211182_200012175722 [0,2,0,0,0,0|1,0,0]=3 9429 B17R2.5360 Nc1ccc(c(c1)N)SCc2ccccc2 62a_200012175722_100015291786 [0,2,0,0,0,0|1,0,0]=3 9430 B17R2.5360 Nc1ccc(c(c1)N)SCc2ccccn2 62a_100000721315_200012175722 [0,2,0,0,0,0|2,0,0]=4 9431 B17R2.5360 Nc1ccc(c(c1)N)SCc2ccccn2 62a_200012175722_100000721315 [0,2,0,0,0,0|2,0,0]=4 9432 B17R2.5360 Nc1ccc(c(c1)N)SCc2cccnc2 62a_100000741622_200012175722 [0,2,0,0,0,0|2,0,0]=4 9433 B17R2.5360 Nc1ccc(c(c1)N)SCc2cccnc2 62a_200012175722_100000741622 [0,2,0,0,0,0|2,0,0]=4 9434 B17R2.5360 Nc1ccc(c(c1)N)SCc2ccncc2 62a_100015193705_200012175722 [0,2,0,0,0,0|2,0,0]=4 9435 B17R2.5360 Nc1ccc(c(c1)N)SCc2ccncc2 62a_200012175722_100015193705 [0,2,0,0,0,0|2,0,0]=4 9436 B17R2.5360 Nc1ccc(c(n1)Br)SCc2ccccc2 62a_100000211182_100010734177 [0,2,0,0,0,0|2,0,0]=4 9437 B17R2.5360 Nc1ccc(c(n1)Br)SCc2ccccc2 62a_100010734177_100015291786 [0,2,0,0,0,0|2,0,0]=4 9438 B17R2.5360 Nc1ccc(c(n1)Cl)SCc2ccccc2 62a_100000211182_100010270343 [0,2,0,0,0,0|2,0,0]=4 9439 B17R2.5360 Nc1ccc(c(n1)Cl)SCc2ccccc2 62a_100010270343_100015291786 [0,2,0,0,0,0|2,0,0]=4 9440 B17R2.5360 Nc1ccc(c(n1)F)SCc2ccccc2 62a_100000211182_100009882772 [0,2,0,0,0,0|2,0,0]=4 9441 B17R2.5360 Nc1ccc(c(n1)F)SCc2ccccc2 62a_100009882772_100015291786 [0,2,0,0,0,0|2,0,0]=4 9442 B17R2.5360 Nc1ccc(c(n1)N)SCc2ccccc2 62a_100011356871_100015291786 [0,2,0,0,0,0|2,0,0]=4 9443 B17R2.5360 Nc1cnc(c(c1)F)SCc2ccccc2 62a_100000211182_100010280766 [0,2,0,0,0,0|2,0,0]=4 9444 B17R2.5360 Nc1cnc(c(c1)F)SCc2ccccc2 62a_100010280766_100015291786 [0,2,0,0,0,0|2,0,0]=4 9445 B17R2.5360 Nc1cnc(c(c1)N)SCc2ccccc2 62a_100000211182_200000093520 [0,2,0,0,0,0|2,0,0]=4 9446 B17R2.5360 Nc1cnc(c(c1)N)SCc2ccccc2 62a_200000093520_100015291786 [0,2,0,0,0,0|2,0,0]=4 9447 B17R2.5360 Nc1nc(ccc1SCc2ccccc2)Cl 62a_100000211182_100010171640 [0,2,0,0,0,0|2,0,0]=4 9448 B17R2.5360 Nc1nc(ccc1SCc2ccccc2)Cl 62a_100010171640_100015291786 [0,2,0,0,0,0|2,0,0]=4 9449 B17R2.5360 Nc1nc(ccc1SCc2ccccc2)F 62a_100000211182_100009854977 [0,2,0,0,0,0|2,0,0]=4 9450 B17R2.5360 Nc1nc(ccc1SCc2ccccc2)F 62a_100009854977_100015291786 [0,2,0,0,0,0|2,0,0]=4 9451 B17R2.5360 O=c1cc(c(c[nH]1)SCc2ccccc2)F 62a_100000211182_100015631685 [0,2,0,0,0,0|2,0,0]=4 9452 B17R2.5360 O=c1cc(c(c[nH]1)SCc2ccccc2)F 62a_100015631685_100015291786 [0,2,0,0,0,0|2,0,0]=4 9453 B17R2.5360 Oc1cc(ccc1C#Cc2ccccc2)Br 271570a_100000069678_100012344904 [0,2,0,0,0,0|2,0,0]=4 9454 B17R2.5360 Oc1cc(ccc1C#Cc2ccccc2)Cl 271570a_100000069678_100000050036 [0,2,0,0,0,0|2,0,0]=4 9455 B17R2.5360 Oc1cc(ccc1C#Cc2ccccc2)F 271570a_100000069678_100000690578 [0,2,0,0,0,0|2,0,0]=4 9456 B17R2.5360 Oc1cc(ccc1C=Cc2ccccc2)Br 271570a_100102527694_100012344904 [0,2,0,0,0,0|2,0,0]=4 9457 B17R2.5360 Oc1cc(ccc1C=Cc2ccccc2)Cl 271570a_100102527694_100000050036 [0,2,0,0,0,0|2,0,0]=4 9458 B17R2.5360 Oc1cc(ccc1C=Cc2ccccc2)F 271570a_100102527694_100000690578 [0,2,0,0,0,0|2,0,0]=4 9459 B17R2.5360 Oc1cc(ccc1NCc2ccccc2)Br 34a_100000739049_100015291786 [0,2,0,0,0,0|2,0,0]=4 9460 B17R2.5360 Oc1cc(ccc1NCc2ccccc2)Cl 34a_100000185728_100015291786 [0,2,0,0,0,0|2,0,0]=4 9461 B17R2.5360 Oc1cc(ccc1NCc2ccccc2)F 34a_100000753323_100015291786 [0,2,0,0,0,0|2,0,0]=4 9462 B17R2.5360 Oc1cc(ccc1OCc2ccccc2)F 271570a_203496583355_200000151671 [0,2,0,0,0,0|1,1,0]=4 9463 B17R2.5360 Oc1cc(ccc1SCc2ccccc2)Br 62a_100000211182_100012344904 [0,2,0,0,0,0|1,0,0]=3 9464 B17R2.5360 Oc1cc(ccc1SCc2ccccc2)Br 62a_100012344904_100015291786 [0,2,0,0,0,0|1,0,0]=3 9465 B17R2.5360 Oc1cc(ccc1SCc2ccccc2)Cl 62a_100000050036_100015291786 [0,2,0,0,0,0|1,0,0]=3 9466 B17R2.5360 Oc1cc(ccc1SCc2ccccc2)Cl 62a_100000211182_100000050036 [0,2,0,0,0,0|1,0,0]=3 9467 B17R2.5360 Oc1cc(ccc1SCc2ccccc2)F 62a_100000211182_100000690578 [0,2,0,0,0,0|1,0,0]=3 9468 B17R2.5360 Oc1cc(ccc1SCc2ccccc2)F 62a_100000690578_100015291786 [0,2,0,0,0,0|1,0,0]=3 9469 B17R2.5360 Oc1cc(ccc1SCc2ccccn2)Br 62a_100000721315_100012344904 [0,2,0,0,0,0|2,0,0]=4 9470 B17R2.5360 Oc1cc(ccc1SCc2ccccn2)Br 62a_100012344904_100000721315 [0,2,0,0,0,0|2,0,0]=4 9471 B17R2.5360 Oc1cc(ccc1SCc2ccccn2)Cl 62a_100000050036_100000721315 [0,2,0,0,0,0|2,0,0]=4 9472 B17R2.5360 Oc1cc(ccc1SCc2ccccn2)Cl 62a_100000721315_100000050036 [0,2,0,0,0,0|2,0,0]=4 9473 B17R2.5360 Oc1cc(ccc1SCc2ccccn2)F 62a_100000690578_100000721315 [0,2,0,0,0,0|2,0,0]=4 9474 B17R2.5360 Oc1cc(ccc1SCc2ccccn2)F 62a_100000721315_100000690578 [0,2,0,0,0,0|2,0,0]=4 9475 B17R2.5360 Oc1cc(ccc1SCc2cccnc2)Br 62a_100000741622_100012344904 [0,2,0,0,0,0|2,0,0]=4 9476 B17R2.5360 Oc1cc(ccc1SCc2cccnc2)Br 62a_100012344904_100000741622 [0,2,0,0,0,0|2,0,0]=4 9477 B17R2.5360 Oc1cc(ccc1SCc2cccnc2)Cl 62a_100000050036_100000741622 [0,2,0,0,0,0|2,0,0]=4 9478 B17R2.5360 Oc1cc(ccc1SCc2cccnc2)Cl 62a_100000741622_100000050036 [0,2,0,0,0,0|2,0,0]=4 9479 B17R2.5360 Oc1cc(ccc1SCc2cccnc2)F 62a_100000690578_100000741622 [0,2,0,0,0,0|2,0,0]=4 9480 B17R2.5360 Oc1cc(ccc1SCc2cccnc2)F 62a_100000741622_100000690578 [0,2,0,0,0,0|2,0,0]=4 9481 B17R2.5360 Oc1cc(ccc1SCc2ccncc2)Br 62a_100012344904_100015193705 [0,2,0,0,0,0|2,0,0]=4 9482 B17R2.5360 Oc1cc(ccc1SCc2ccncc2)Br 62a_100015193705_100012344904 [0,2,0,0,0,0|2,0,0]=4 9483 B17R2.5360 Oc1cc(ccc1SCc2ccncc2)Cl 62a_100000050036_100015193705 [0,2,0,0,0,0|2,0,0]=4 9484 B17R2.5360 Oc1cc(ccc1SCc2ccncc2)Cl 62a_100015193705_100000050036 [0,2,0,0,0,0|2,0,0]=4 9485 B17R2.5360 Oc1cc(ccc1SCc2ccncc2)F 62a_100000690578_100015193705 [0,2,0,0,0,0|2,0,0]=4 9486 B17R2.5360 Oc1cc(ccc1SCc2ccncc2)F 62a_100015193705_100000690578 [0,2,0,0,0,0|2,0,0]=4 9487 B17R2.5360 Oc1cc(cnc1SCc2ccccc2)Br 62a_100000211182_100010210634 [0,2,0,0,0,0|2,0,0]=4 9488 B17R2.5360 Oc1cc(cnc1SCc2ccccc2)Br 62a_100010210634_100015291786 [0,2,0,0,0,0|2,0,0]=4 9489 B17R2.5360 Oc1cc(cnc1SCc2ccccc2)Cl 62a_100000211182_100010233512 [0,2,0,0,0,0|2,0,0]=4 9490 B17R2.5360 Oc1cc(cnc1SCc2ccccc2)Cl 62a_100010233512_100015291786 [0,2,0,0,0,0|2,0,0]=4 9491 B17R2.5360 Oc1cc(cnc1SCc2ccccc2)F 62a_100000211182_100000079967 [0,2,0,0,0,0|2,0,0]=4 9492 B17R2.5360 Oc1cc(cnc1SCc2ccccc2)F 62a_100009820119_100015291786 [0,2,0,0,0,0|2,0,0]=4 9493 B17R2.5360 Oc1ccc(c(c1)Br)C#Cc2ccccc2 271570a_100000069678_100000701344 [0,2,0,0,0,0|2,0,0]=4 9494 B17R2.5360 Oc1ccc(c(c1)Br)C=Cc2ccccc2 271570a_100102527694_100000701344 [0,2,0,0,0,0|2,0,0]=4 9495 B17R2.5360 Oc1ccc(c(c1)Br)NCc2ccccc2 34a_100012001276_100015291786 [0,2,0,0,0,0|2,0,0]=4 9496 B17R2.5360 Oc1ccc(c(c1)Br)SCc2ccccc2 62a_100000211182_100000701344 [0,2,0,0,0,0|1,0,0]=3 9497 B17R2.5360 Oc1ccc(c(c1)Br)SCc2ccccc2 62a_100000701344_100015291786 [0,2,0,0,0,0|1,0,0]=3 9498 B17R2.5360 Oc1ccc(c(c1)Br)SCc2ccccn2 62a_100000701344_100000721315 [0,2,0,0,0,0|2,0,0]=4 9499 B17R2.5360 Oc1ccc(c(c1)Br)SCc2ccccn2 62a_100000721315_100000701344 [0,2,0,0,0,0|2,0,0]=4 9500 B17R2.5360 Oc1ccc(c(c1)Br)SCc2cccnc2 62a_100000701344_100000741622 [0,2,0,0,0,0|2,0,0]=4 9501 B17R2.5360 Oc1ccc(c(c1)Br)SCc2cccnc2 62a_100000741622_100000701344 [0,2,0,0,0,0|2,0,0]=4 9502 B17R2.5360 Oc1ccc(c(c1)Br)SCc2ccncc2 62a_100000701344_100015193705 [0,2,0,0,0,0|2,0,0]=4 9503 B17R2.5360 Oc1ccc(c(c1)Br)SCc2ccncc2 62a_100015193705_100000701344 [0,2,0,0,0,0|2,0,0]=4 9504 B17R2.5360 Oc1ccc(c(c1)Cl)C#Cc2ccccc2 271570a_100000069678_100000047559 [0,2,0,0,0,0|2,0,0]=4 9505 B17R2.5360 Oc1ccc(c(c1)Cl)C=Cc2ccccc2 271570a_100102527694_100000047559 [0,2,0,0,0,0|2,0,0]=4 9506 B17R2.5360 Oc1ccc(c(c1)Cl)NCc2ccccc2 34a_100011215599_100015291786 [0,2,0,0,0,0|2,0,0]=4 9507 B17R2.5360 Oc1ccc(c(c1)Cl)SCc2ccccc2 62a_100000047559_100015291786 [0,2,0,0,0,0|1,0,0]=3 9508 B17R2.5360 Oc1ccc(c(c1)Cl)SCc2ccccc2 62a_100000211182_100000047559 [0,2,0,0,0,0|1,0,0]=3 9509 B17R2.5360 Oc1ccc(c(c1)Cl)SCc2ccccn2 62a_100000047559_100000721315 [0,2,0,0,0,0|2,0,0]=4 9510 B17R2.5360 Oc1ccc(c(c1)Cl)SCc2ccccn2 62a_100000721315_100000047559 [0,2,0,0,0,0|2,0,0]=4 9511 B17R2.5360 Oc1ccc(c(c1)Cl)SCc2cccnc2 62a_100000047559_100000741622 [0,2,0,0,0,0|2,0,0]=4 9512 B17R2.5360 Oc1ccc(c(c1)Cl)SCc2cccnc2 62a_100000741622_100000047559 [0,2,0,0,0,0|2,0,0]=4 9513 B17R2.5360 Oc1ccc(c(c1)Cl)SCc2ccncc2 62a_100000047559_100015193705 [0,2,0,0,0,0|2,0,0]=4 9514 B17R2.5360 Oc1ccc(c(c1)Cl)SCc2ccncc2 62a_100015193705_100000047559 [0,2,0,0,0,0|2,0,0]=4 9515 B17R2.5360 Oc1ccc(c(c1)F)C#Cc2ccccc2 271570a_100000069678_100000755031 [0,2,0,0,0,0|2,0,0]=4 9516 B17R2.5360 Oc1ccc(c(c1)F)C=Cc2ccccc2 271570a_100102527694_100000755031 [0,2,0,0,0,0|2,0,0]=4 9517 B17R2.5360 Oc1ccc(c(c1)F)NCc2ccccc2 34a_100000759473_100015291786 [0,2,0,0,0,0|2,0,0]=4 9518 B17R2.5360 Oc1ccc(c(c1)F)OCc2ccccc2 271570a_203496583355_200009811563 [0,2,0,0,0,0|1,1,0]=4 9519 B17R2.5360 Oc1ccc(c(c1)F)SCc2ccccc2 62a_100000211182_100000755031 [0,2,0,0,0,0|1,0,0]=3 9520 B17R2.5360 Oc1ccc(c(c1)F)SCc2ccccc2 62a_100000755031_100015291786 [0,2,0,0,0,0|1,0,0]=3 9521 B17R2.5360 Oc1ccc(c(c1)F)SCc2ccccn2 62a_100000721315_100000755031 [0,2,0,0,0,0|2,0,0]=4 9522 B17R2.5360 Oc1ccc(c(c1)F)SCc2ccccn2 62a_100000755031_100000721315 [0,2,0,0,0,0|2,0,0]=4 9523 B17R2.5360 Oc1ccc(c(c1)F)SCc2cccnc2 62a_100000741622_100000755031 [0,2,0,0,0,0|2,0,0]=4 9524 B17R2.5360 Oc1ccc(c(c1)F)SCc2cccnc2 62a_100000755031_100000741622 [0,2,0,0,0,0|2,0,0]=4 9525 B17R2.5360 Oc1ccc(c(c1)F)SCc2ccncc2 62a_100000755031_100015193705 [0,2,0,0,0,0|2,0,0]=4 9526 B17R2.5360 Oc1ccc(c(c1)F)SCc2ccncc2 62a_100015193705_100000755031 [0,2,0,0,0,0|2,0,0]=4 9527 B17R2.5360 Oc1ccc(c(c1)I)NCc2ccccc2 34a_100010084370_100015291786 [0,2,0,0,0,0|2,0,0]=4 9528 B17R2.5360 Oc1ccc(c(c1)O)C#Cc2ccccc2 271570a_100000069678_100009813921 [0,2,0,0,0,0|2,0,0]=4 9529 B17R2.5360 Oc1ccc(c(c1)O)C=Cc2ccccc2 271570a_100102527694_100009813921 [0,2,0,0,0,0|2,0,0]=4 9530 B17R2.5360 Oc1ccc(c(c1)O)NCc2ccccc2 34a_100000106777_100015291786 [0,2,0,0,0,0|2,0,0]=4 9531 B17R2.5360 Oc1ccc(c(c1)O)SCc2ccccc2 62a_100000211182_100009813921 [0,2,0,0,0,0|1,0,0]=3 9532 B17R2.5360 Oc1ccc(c(c1)O)SCc2ccccn2 62a_100000721315_100009813921 [0,2,0,0,0,0|2,0,0]=4 9533 B17R2.5360 Oc1ccc(c(c1)O)SCc2cccnc2 62a_100000741622_100009813921 [0,2,0,0,0,0|2,0,0]=4 9534 B17R2.5360 Oc1ccc(c(c1)O)SCc2ccncc2 62a_100015193705_100009813921 [0,2,0,0,0,0|2,0,0]=4 9535 B17R2.5360 Oc1ccc(c(n1)F)SCc2ccccc2 62a_100000211182_100009879308 [0,2,0,0,0,0|2,0,0]=4 9536 B17R2.5360 Oc1ccc(c(n1)F)SCc2ccccc2 62a_100009879308_100015291786 [0,2,0,0,0,0|2,0,0]=4 9537 B17R2.5360 Oc1cnc(c(c1)F)SCc2ccccc2 62a_100000211182_100000063512 [0,2,0,0,0,0|2,0,0]=4 9538 B17R2.5360 [O-][n+]1cc(ccc1SCc2ccccc2)F 62a_100000211182_100009817261 [0,2,0,0,0,0|2,0,0]=4 9539 B17R2.5360 [O-][n+]1cc(ccc1SCc2ccccc2)F 62a_100009817261_100015291786 [0,2,0,0,0,0|2,0,0]=4 9540 B17R2.5365 Brc1cc(c(cn1)Br)SCc2ccccc2 62a_100000211182_100010171693 [0,2,0,0,0,0|2,0,0]=4 9541 B17R2.5365 Brc1cc(c(cn1)Br)SCc2ccccc2 62a_100010171693_100015291786 [0,2,0,0,0,0|2,0,0]=4 9542 B17R2.5365 Brc1ccc(c(c1)C#Cc2ccccc2)Br 271570a_100000069678_100011483371 [0,2,0,0,0,0|2,0,0]=4 9543 B17R2.5365 Brc1ccc(c(c1)C=Cc2ccccc2)Br 271570a_100102527694_100011483371 [0,2,0,0,0,0|2,0,0]=4 9544 B17R2.5365 Brc1ccc(c(c1)CNc2ccccc2)Br 207a_100000106764_100011266429 [0,2,0,0,0,0|2,0,0]=4 9545 B17R2.5365 Brc1ccc(c(c1)CNc2ccccc2)Br 270302a_100000106764_100011266429 [0,2,0,0,0,0|2,0,0]=4 9546 B17R2.5365 Brc1ccc(c(c1)CNc2ccccc2)Br 34a_100000106764_100011982794 [0,2,0,0,0,0|2,0,0]=4 9547 B17R2.5365 Brc1ccc(c(c1)CNc2ccccc2)I 207a_100000106764_100010185651 [0,2,0,0,0,0|2,0,0]=4 9548 B17R2.5365 Brc1ccc(c(c1)CNc2ccccc2)I 34a_100000106764_100012362523 [0,2,0,0,0,0|2,0,0]=4 9549 B17R2.5365 Brc1ccc(c(c1)COc2ccccc2)Br 34a_100000210340_100011982794 [0,2,0,0,0,0|1,1,0]=4 9550 B17R2.5365 Brc1ccc(c(c1)COc2ccccc2)Br 7a_100000210340_100011982794 [0,2,0,0,0,0|1,1,0]=4 9551 B17R2.5365 Brc1ccc(c(c1)COc2ccccc2)I 34a_100000210340_100012362523 [0,2,0,0,0,0|1,1,0]=4 9552 B17R2.5365 Brc1ccc(c(c1)COc2ccccc2)I 7a_100000210340_100012362523 [0,2,0,0,0,0|1,1,0]=4 9553 B17R2.5365 Brc1ccc(c(c1)CSc2ccccc2)Br 62a_100000719477_100011982794 [0,2,0,0,0,0|1,0,0]=3 9554 B17R2.5365 Brc1ccc(c(c1)CSc2ccccc2)Br 62a_100011982794_100000041952 [0,2,0,0,0,0|1,0,0]=3 9555 B17R2.5365 Brc1ccc(c(c1)CSc2ccccc2)I 62a_100000719477_100012362523 [0,2,0,0,0,0|1,0,0]=3 9556 B17R2.5365 Brc1ccc(c(c1)CSc2ccccc2)I 62a_100012362523_100000041952 [0,2,0,0,0,0|1,0,0]=3 9557 B17R2.5365 Brc1ccc(c(c1)CSc2ccccn2)Br 62a_100011216584_100011982794 [0,2,0,0,0,0|2,0,0]=4 9558 B17R2.5365 Brc1ccc(c(c1)CSc2ccccn2)Br 62a_100011982794_100011216584 [0,2,0,0,0,0|2,0,0]=4 9559 B17R2.5365 Brc1ccc(c(c1)CSc2ccccn2)I 62a_100011216584_100012362523 [0,2,0,0,0,0|2,0,0]=4 9560 B17R2.5365 Brc1ccc(c(c1)CSc2ccccn2)I 62a_100012362523_100011216584 [0,2,0,0,0,0|2,0,0]=4 9561 B17R2.5365 Brc1ccc(c(c1)CSc2cccnc2)Br 62a_100000210063_100011982794 [0,2,0,0,0,0|2,0,0]=4 9562 B17R2.5365 Brc1ccc(c(c1)CSc2cccnc2)Br 62a_100011982794_100000210063 [0,2,0,0,0,0|2,0,0]=4 9563 B17R2.5365 Brc1ccc(c(c1)CSc2cccnc2)I 62a_100000210063_100012362523 [0,2,0,0,0,0|2,0,0]=4 9564 B17R2.5365 Brc1ccc(c(c1)CSc2cccnc2)I 62a_100012362523_100000210063 [0,2,0,0,0,0|2,0,0]=4 9565 B17R2.5365 Brc1ccc(c(c1)CSc2ccncc2)Br 62a_100000728582_100011982794 [0,2,0,0,0,0|2,0,0]=4 9566 B17R2.5365 Brc1ccc(c(c1)CSc2ccncc2)Br 62a_100011982794_100000728582 [0,2,0,0,0,0|2,0,0]=4 9567 B17R2.5365 Brc1ccc(c(c1)CSc2ccncc2)I 62a_100000728582_100012362523 [0,2,0,0,0,0|2,0,0]=4 9568 B17R2.5365 Brc1ccc(c(c1)CSc2ccncc2)I 62a_100012362523_100000728582 [0,2,0,0,0,0|2,0,0]=4 9569 B17R2.5365 Brc1ccc(c(c1)NCc2ccccc2)Br 34a_100000737762_100015291786 [0,2,0,0,0,0|2,0,0]=4 9570 B17R2.5365 Brc1ccc(c(c1)NCc2ccccc2)I 34a_100000743836_100015291786 [0,2,0,0,0,0|2,0,0]=4 9571 B17R2.5365 Brc1ccc(c(c1)OCc2ccccc2)Br 34a_100011220040_100015291786 [0,2,0,0,0,0|1,1,0]=4 9572 B17R2.5365 Brc1ccc(c(c1)OCc2ccccc2)Br 7a_100011220040_100000211182 [0,2,0,0,0,0|1,1,0]=4 9573 B17R2.5365 Brc1ccc(c(c1)OCc2ccccc2)I 34a_100012344904_100015291786 [0,2,0,0,0,0|1,1,0]=4 9574 B17R2.5365 Brc1ccc(c(c1)OCc2ccccc2)I 7a_100012344904_100000211182 [0,2,0,0,0,0|1,1,0]=4 9575 B17R2.5365 Brc1ccc(c(c1)SCc2ccccc2)Br 62a_100000211182_100011483371 [0,2,0,0,0,0|1,0,0]=3 9576 B17R2.5365 Brc1ccc(c(c1)SCc2ccccc2)Br 62a_100011483371_100015291786 [0,2,0,0,0,0|1,0,0]=3 9577 B17R2.5365 Brc1ccc(c(c1)SCc2ccccn2)Br 62a_100000721315_100011483371 [0,2,0,0,0,0|2,0,0]=4 9578 B17R2.5365 Brc1ccc(c(c1)SCc2ccccn2)Br 62a_100011483371_100000721315 [0,2,0,0,0,0|2,0,0]=4 9579 B17R2.5365 Brc1ccc(c(c1)SCc2cccnc2)Br 62a_100000741622_100011483371 [0,2,0,0,0,0|2,0,0]=4 9580 B17R2.5365 Brc1ccc(c(c1)SCc2cccnc2)Br 62a_100011483371_100000741622 [0,2,0,0,0,0|2,0,0]=4 9581 B17R2.5365 Brc1ccc(c(c1)SCc2ccncc2)Br 62a_100011483371_100015193705 [0,2,0,0,0,0|2,0,0]=4 9582 B17R2.5365 Brc1ccc(c(c1)SCc2ccncc2)Br 62a_100015193705_100011483371 [0,2,0,0,0,0|2,0,0]=4 9583 B17R2.5365 Brc1ccc(cc1CNc2ccccc2)I 207a_100000106764_100010185652 [0,2,0,0,0,0|2,0,0]=4 9584 B17R2.5365 Brc1ccc(cc1CNc2ccccc2)I 34a_100000106764_100012355412 [0,2,0,0,0,0|2,0,0]=4 9585 B17R2.5365 Brc1ccc(cc1COc2ccccc2)I 34a_100000210340_100012355412 [0,2,0,0,0,0|1,1,0]=4 9586 B17R2.5365 Brc1ccc(cc1COc2ccccc2)I 7a_100000210340_100012355412 [0,2,0,0,0,0|1,1,0]=4 9587 B17R2.5365 Brc1ccc(cc1CSc2ccccc2)I 62a_100000719477_100012355412 [0,2,0,0,0,0|1,0,0]=3 9588 B17R2.5365 Brc1ccc(cc1CSc2ccccc2)I 62a_100012355412_100000041952 [0,2,0,0,0,0|1,0,0]=3 9589 B17R2.5365 Brc1ccc(cc1CSc2ccccn2)I 62a_100011216584_100012355412 [0,2,0,0,0,0|2,0,0]=4 9590 B17R2.5365 Brc1ccc(cc1CSc2ccccn2)I 62a_100012355412_100011216584 [0,2,0,0,0,0|2,0,0]=4 9591 B17R2.5365 Brc1ccc(cc1CSc2cccnc2)I 62a_100000210063_100012355412 [0,2,0,0,0,0|2,0,0]=4 9592 B17R2.5365 Brc1ccc(cc1CSc2cccnc2)I 62a_100012355412_100000210063 [0,2,0,0,0,0|2,0,0]=4 9593 B17R2.5365 Brc1ccc(cc1CSc2ccncc2)I 62a_100000728582_100012355412 [0,2,0,0,0,0|2,0,0]=4 9594 B17R2.5365 Brc1ccc(cc1CSc2ccncc2)I 62a_100012355412_100000728582 [0,2,0,0,0,0|2,0,0]=4 9595 B17R2.5365 Brc1ccc(cc1OCc2ccccc2)I 34a_100012356990_100015291786 [0,2,0,0,0,0|1,1,0]=4 9596 B17R2.5365 Brc1ccc(cc1OCc2ccccc2)I 7a_100012356990_100000211182 [0,2,0,0,0,0|1,1,0]=4 9597 B17R2.5365 Brc1cnc(c(c1)CSc2ccccc2)Br 62a_100000719477_100010253922 [0,2,0,0,0,0|2,0,0]=4 9598 B17R2.5365 Brc1cnc(c(c1)CSc2ccccc2)Br 62a_100010253922_100000041952 [0,2,0,0,0,0|2,0,0]=4 9599 B17R2.5365 Cc1cc(c(cn1)C)SCc2ccccc2 62a_100000211182_100009862788 [0,2,0,0,0,0|2,0,0]=4 9600 B17R2.5365 Cc1cc(c(cn1)C)SCc2ccccc2 62a_100009862788_100015291786 [0,2,0,0,0,0|2,0,0]=4 9601 B17R2.5365 Cc1cc(c(cn1)F)SCc2ccccc2 62a_100000211182_100009867690 [0,2,0,0,0,0|2,0,0]=4 9602 B17R2.5365 Cc1cc(c(cn1)F)SCc2ccccc2 62a_100009867690_100015291786 [0,2,0,0,0,0|2,0,0]=4 9603 B17R2.5365 Cc1cc(c(cn1)O)SCc2ccccc2 62a_100000211182_100009843476 [0,2,0,0,0,0|2,0,0]=4 9604 B17R2.5365 Cc1cc(c(cn1)O)SCc2ccccc2 62a_100009843476_100015291786 [0,2,0,0,0,0|2,0,0]=4 9605 B17R2.5365 Cc1ccc(c(c1)C#Cc2ccccc2)Br 271570a_100000069678_100012353751 [0,2,0,0,0,0|2,0,0]=4 9606 B17R2.5365 Cc1ccc(c(c1)C#Cc2ccccc2)C 271570a_100000069678_100000210833 [0,2,0,0,0,0|2,0,0]=4 9607 B17R2.5365 Cc1ccc(c(c1)C#Cc2ccccc2)Cl 271570a_100000069678_100012356289 [0,2,0,0,0,0|2,0,0]=4 9608 B17R2.5365 Cc1ccc(c(c1)C#Cc2ccccc2)F 271570a_100000069678_100000736223 [0,2,0,0,0,0|2,0,0]=4 9609 B17R2.5365 Cc1ccc(c(c1)C#Cc2ccccc2)N 271570a_100000069678_100000210942 [0,2,0,0,0,0|2,0,0]=4 9610 B17R2.5365 Cc1ccc(c(c1)C#Cc2ccccc2)O 271570a_100000069678_100000765521 [0,2,0,0,0,0|2,0,0]=4 9611 B17R2.5365 Cc1ccc(c(c1)C=Cc2ccccc2)Br 271570a_100102527694_100012353751 [0,2,0,0,0,0|2,0,0]=4 9612 B17R2.5365 Cc1ccc(c(c1)C=Cc2ccccc2)C 271570a_100102527694_100000210833 [0,2,0,0,0,0|2,0,0]=4 9613 B17R2.5365 Cc1ccc(c(c1)C=Cc2ccccc2)Cl 271570a_100102527694_100012356289 [0,2,0,0,0,0|2,0,0]=4 9614 B17R2.5365 Cc1ccc(c(c1)C=Cc2ccccc2)F 271570a_100102527694_100000736223 [0,2,0,0,0,0|2,0,0]=4 9615 B17R2.5365 Cc1ccc(c(c1)C=Cc2ccccc2)N 271570a_100102527694_100000210942 [0,2,0,0,0,0|2,0,0]=4 9616 B17R2.5365 Cc1ccc(c(c1)C=Cc2ccccc2)O 271570a_100102527694_100000765521 [0,2,0,0,0,0|2,0,0]=4 9617 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)Br 207a_100000106764_100011551863 [0,2,0,0,0,0|2,0,0]=4 9618 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)Br 270302a_100000106764_100011551863 [0,2,0,0,0,0|2,0,0]=4 9619 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)C 207a_100000106764_100000211343 [0,2,0,0,0,0|2,0,0]=4 9620 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)C 270302a_100000106764_100000211343 [0,2,0,0,0,0|2,0,0]=4 9621 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)C 34a_100000106764_100000184699 [0,2,0,0,0,0|2,0,0]=4 9622 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)Cl 207a_100000106764_100011551332 [0,2,0,0,0,0|2,0,0]=4 9623 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)Cl 270302a_100000106764_100011551332 [0,2,0,0,0,0|2,0,0]=4 9624 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)Cl 34a_100000106764_100009871730 [0,2,0,0,0,0|2,0,0]=4 9625 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)F 207a_100000106764_100000756917 [0,2,0,0,0,0|2,0,0]=4 9626 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)F 270302a_100000106764_100000756917 [0,2,0,0,0,0|2,0,0]=4 9627 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)F 34a_100000106764_100011260760 [0,2,0,0,0,0|2,0,0]=4 9628 B17R2.5365 Cc1ccc(c(c1)CNc2ccccc2)I 207a_100000106764_100010150105 [0,2,0,0,0,0|2,0,0]=4 9629 B17R2.5365 Cc1ccc(c(c1)COc2ccccc2)C 34a_100000210340_100000184699 [0,2,0,0,0,0|1,1,0]=4 9630 B17R2.5365 Cc1ccc(c(c1)COc2ccccc2)C 7a_100000210340_100000184699 [0,2,0,0,0,0|1,1,0]=4 9631 B17R2.5365 Cc1ccc(c(c1)COc2ccccc2)Cl 34a_100000210340_100009871730 [0,2,0,0,0,0|1,1,0]=4 9632 B17R2.5365 Cc1ccc(c(c1)COc2ccccc2)Cl 7a_100000210340_100009871730 [0,2,0,0,0,0|1,1,0]=4 9633 B17R2.5365 Cc1ccc(c(c1)COc2ccccc2)F 34a_100000210340_100011260760 [0,2,0,0,0,0|1,1,0]=4 9634 B17R2.5365 Cc1ccc(c(c1)COc2ccccc2)F 7a_100000210340_100011260760 [0,2,0,0,0,0|1,1,0]=4 9635 B17R2.5365 Cc1ccc(c(c1)CSc2ccccc2)C 62a_100000184699_100000041952 [0,2,0,0,0,0|1,0,0]=3 9636 B17R2.5365 Cc1ccc(c(c1)CSc2ccccc2)C 62a_100000719477_100000184699 [0,2,0,0,0,0|1,0,0]=3 9637 B17R2.5365 Cc1ccc(c(c1)CSc2ccccc2)Cl 62a_100000719477_100009871730 [0,2,0,0,0,0|1,0,0]=3 9638 B17R2.5365 Cc1ccc(c(c1)CSc2ccccc2)Cl 62a_100009871730_100000041952 [0,2,0,0,0,0|1,0,0]=3 9639 B17R2.5365 Cc1ccc(c(c1)CSc2ccccc2)F 62a_100000719477_100011260760 [0,2,0,0,0,0|1,0,0]=3 9640 B17R2.5365 Cc1ccc(c(c1)CSc2ccccc2)F 62a_100011260760_100000041952 [0,2,0,0,0,0|1,0,0]=3 9641 B17R2.5365 Cc1ccc(c(c1)CSc2ccccn2)C 62a_100000184699_100011216584 [0,2,0,0,0,0|2,0,0]=4 9642 B17R2.5365 Cc1ccc(c(c1)CSc2ccccn2)C 62a_100011216584_100000184699 [0,2,0,0,0,0|2,0,0]=4 9643 B17R2.5365 Cc1ccc(c(c1)CSc2ccccn2)Cl 62a_100009871730_100011216584 [0,2,0,0,0,0|2,0,0]=4 9644 B17R2.5365 Cc1ccc(c(c1)CSc2ccccn2)Cl 62a_100011216584_100009871730 [0,2,0,0,0,0|2,0,0]=4 9645 B17R2.5365 Cc1ccc(c(c1)CSc2ccccn2)F 62a_100011216584_100011260760 [0,2,0,0,0,0|2,0,0]=4 9646 B17R2.5365 Cc1ccc(c(c1)CSc2ccccn2)F 62a_100011260760_100011216584 [0,2,0,0,0,0|2,0,0]=4 9647 B17R2.5365 Cc1ccc(c(c1)CSc2cccnc2)C 62a_100000184699_100000210063 [0,2,0,0,0,0|2,0,0]=4 9648 B17R2.5365 Cc1ccc(c(c1)CSc2cccnc2)C 62a_100000210063_100000184699 [0,2,0,0,0,0|2,0,0]=4 9649 B17R2.5365 Cc1ccc(c(c1)CSc2cccnc2)Cl 62a_100000210063_100009871730 [0,2,0,0,0,0|2,0,0]=4 9650 B17R2.5365 Cc1ccc(c(c1)CSc2cccnc2)Cl 62a_100009871730_100000210063 [0,2,0,0,0,0|2,0,0]=4 9651 B17R2.5365 Cc1ccc(c(c1)CSc2cccnc2)F 62a_100000210063_100011260760 [0,2,0,0,0,0|2,0,0]=4 9652 B17R2.5365 Cc1ccc(c(c1)CSc2cccnc2)F 62a_100011260760_100000210063 [0,2,0,0,0,0|2,0,0]=4 9653 B17R2.5365 Cc1ccc(c(c1)CSc2ccncc2)C 62a_100000184699_100000728582 [0,2,0,0,0,0|2,0,0]=4 9654 B17R2.5365 Cc1ccc(c(c1)CSc2ccncc2)C 62a_100000728582_100000184699 [0,2,0,0,0,0|2,0,0]=4 9655 B17R2.5365 Cc1ccc(c(c1)CSc2ccncc2)Cl 62a_100000728582_100009871730 [0,2,0,0,0,0|2,0,0]=4 9656 B17R2.5365 Cc1ccc(c(c1)CSc2ccncc2)Cl 62a_100009871730_100000728582 [0,2,0,0,0,0|2,0,0]=4 9657 B17R2.5365 Cc1ccc(c(c1)CSc2ccncc2)F 62a_100000728582_100011260760 [0,2,0,0,0,0|2,0,0]=4 9658 B17R2.5365 Cc1ccc(c(c1)CSc2ccncc2)F 62a_100011260760_100000728582 [0,2,0,0,0,0|2,0,0]=4 9659 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)Br 270302a_100000745044_100015611070 [0,2,0,0,0,0|2,0,0]=4 9660 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)Br 34a_100000745044_100015291786 [0,2,0,0,0,0|2,0,0]=4 9661 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)C 207a_100000185781_100015611070 [0,2,0,0,0,0|2,0,0]=4 9662 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)C 2230a_100000185781_100015291786 [0,2,0,0,0,0|2,0,0]=4 9663 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)C 270302a_100000185781_100015611070 [0,2,0,0,0,0|2,0,0]=4 9664 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)C 34a_100000185781_100015291786 [0,2,0,0,0,0|2,0,0]=4 9665 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)C 7a_100000185781_100000211182 [0,2,0,0,0,0|2,0,0]=4 9666 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)Cl 207a_100011215360_100015611070 [0,2,0,0,0,0|2,0,0]=4 9667 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)Cl 270302a_100011215360_100015611070 [0,2,0,0,0,0|2,0,0]=4 9668 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)Cl 34a_100011215360_100015291786 [0,2,0,0,0,0|2,0,0]=4 9669 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)F 207a_100000211285_100015611070 [0,2,0,0,0,0|2,0,0]=4 9670 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)F 270302a_100000211285_100015611070 [0,2,0,0,0,0|2,0,0]=4 9671 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)F 34a_100000211285_100015291786 [0,2,0,0,0,0|2,0,0]=4 9672 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)I 270302a_100011216686_100015611070 [0,2,0,0,0,0|2,0,0]=4 9673 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)I 34a_100011216686_100015291786 [0,2,0,0,0,0|2,0,0]=4 9674 B17R2.5365 Cc1ccc(c(c1)NCc2ccccc2)O 34a_100011215204_100015291786 [0,2,0,0,0,0|2,0,0]=4 9675 B17R2.5365 Cc1ccc(c(c1)OCc2ccccc2)Br 34a_100012002257_100015291786 [0,2,0,0,0,0|1,1,0]=4 9676 B17R2.5365 Cc1ccc(c(c1)OCc2ccccc2)Br 7a_100012002257_100000211182 [0,2,0,0,0,0|1,1,0]=4 9677 B17R2.5365 Cc1ccc(c(c1)OCc2ccccc2)C 34a_100000210931_100015291786 [0,2,0,0,0,0|1,1,0]=4 9678 B17R2.5365 Cc1ccc(c(c1)OCc2ccccc2)C 7a_100000210931_100000211182 [0,2,0,0,0,0|1,1,0]=4 9679 B17R2.5365 Cc1ccc(c(c1)OCc2ccccc2)Cl 34a_100000211493_100015291786 [0,2,0,0,0,0|1,1,0]=4 9680 B17R2.5365 Cc1ccc(c(c1)OCc2ccccc2)Cl 7a_100000211493_100000211182 [0,2,0,0,0,0|1,1,0]=4 9681 B17R2.5365 Cc1ccc(c(c1)OCc2ccccc2)F 34a_100000759540_100015291786 [0,2,0,0,0,0|1,1,0]=4 9682 B17R2.5365 Cc1ccc(c(c1)OCc2ccccc2)F 7a_100000759540_100000211182 [0,2,0,0,0,0|1,1,0]=4 9683 B17R2.5365 Cc1ccc(c(c1)OCc2ccccc2)N 34a_100000211527_100015291786 [0,2,0,0,0,0|1,1,0]=4 9684 B17R2.5365 Cc1ccc(c(c1)OCc2ccccc2)N 7a_100000211527_100000211182 [0,2,0,0,0,0|1,1,0]=4 9685 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)Br 62a_100000211182_100012353751 [0,2,0,0,0,0|1,0,0]=3 9686 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)Br 62a_100012353751_100015291786 [0,2,0,0,0,0|1,0,0]=3 9687 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)C 62a_100000210833_100015291786 [0,2,0,0,0,0|1,0,0]=3 9688 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)C 62a_100000211182_100000210833 [0,2,0,0,0,0|1,0,0]=3 9689 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)Cl 62a_100000211182_100012356289 [0,2,0,0,0,0|1,0,0]=3 9690 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)Cl 62a_100012356289_100015291786 [0,2,0,0,0,0|1,0,0]=3 9691 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)F 62a_100000211182_100000736223 [0,2,0,0,0,0|1,0,0]=3 9692 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)F 62a_100000736223_100015291786 [0,2,0,0,0,0|1,0,0]=3 9693 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)N 62a_100000211182_100011356834 [0,2,0,0,0,0|1,0,0]=3 9694 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)N 62a_100011356834_100015291786 [0,2,0,0,0,0|1,0,0]=3 9695 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)O 62a_100000211182_100000765521 [0,2,0,0,0,0|1,0,0]=3 9696 B17R2.5365 Cc1ccc(c(c1)SCc2ccccc2)O 62a_100000765521_100015291786 [0,2,0,0,0,0|1,0,0]=3 9697 B17R2.5365 Cc1ccc(c(c1)SCc2ccccn2)Br 62a_100000721315_100012353751 [0,2,0,0,0,0|2,0,0]=4 9698 B17R2.5365 Cc1ccc(c(c1)SCc2ccccn2)Br 62a_100012353751_100000721315 [0,2,0,0,0,0|2,0,0]=4 9699 B17R2.5365 Cc1ccc(c(c1)SCc2ccccn2)C 62a_100000210833_100000721315 [0,2,0,0,0,0|2,0,0]=4 9700 B17R2.5365 Cc1ccc(c(c1)SCc2ccccn2)C 62a_100000721315_100000210833 [0,2,0,0,0,0|2,0,0]=4 9701 B17R2.5365 Cc1ccc(c(c1)SCc2ccccn2)Cl 62a_100000721315_100012356289 [0,2,0,0,0,0|2,0,0]=4 9702 B17R2.5365 Cc1ccc(c(c1)SCc2ccccn2)Cl 62a_100012356289_100000721315 [0,2,0,0,0,0|2,0,0]=4 9703 B17R2.5365 Cc1ccc(c(c1)SCc2ccccn2)F 62a_100000721315_100000736223 [0,2,0,0,0,0|2,0,0]=4 9704 B17R2.5365 Cc1ccc(c(c1)SCc2ccccn2)F 62a_100000736223_100000721315 [0,2,0,0,0,0|2,0,0]=4 9705 B17R2.5365 Cc1ccc(c(c1)SCc2ccccn2)N 62a_100000721315_100011356834 [0,2,0,0,0,0|2,0,0]=4 9706 B17R2.5365 Cc1ccc(c(c1)SCc2ccccn2)N 62a_100011356834_100000721315 [0,2,0,0,0,0|2,0,0]=4 9707 B17R2.5365 Cc1ccc(c(c1)SCc2ccccn2)O 62a_100000721315_100000765521 [0,2,0,0,0,0|2,0,0]=4 9708 B17R2.5365 Cc1ccc(c(c1)SCc2ccccn2)O 62a_100000765521_100000721315 [0,2,0,0,0,0|2,0,0]=4 9709 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)Br 62a_100000741622_100012353751 [0,2,0,0,0,0|2,0,0]=4 9710 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)Br 62a_100012353751_100000741622 [0,2,0,0,0,0|2,0,0]=4 9711 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)C 62a_100000210833_100000741622 [0,2,0,0,0,0|2,0,0]=4 9712 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)C 62a_100000741622_100000210833 [0,2,0,0,0,0|2,0,0]=4 9713 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)Cl 62a_100000741622_100012356289 [0,2,0,0,0,0|2,0,0]=4 9714 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)Cl 62a_100012356289_100000741622 [0,2,0,0,0,0|2,0,0]=4 9715 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)F 62a_100000736223_100000741622 [0,2,0,0,0,0|2,0,0]=4 9716 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)F 62a_100000741622_100000736223 [0,2,0,0,0,0|2,0,0]=4 9717 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)N 62a_100000741622_100011356834 [0,2,0,0,0,0|2,0,0]=4 9718 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)N 62a_100011356834_100000741622 [0,2,0,0,0,0|2,0,0]=4 9719 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)O 62a_100000741622_100000765521 [0,2,0,0,0,0|2,0,0]=4 9720 B17R2.5365 Cc1ccc(c(c1)SCc2cccnc2)O 62a_100000765521_100000741622 [0,2,0,0,0,0|2,0,0]=4 9721 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)Br 62a_100012353751_100015193705 [0,2,0,0,0,0|2,0,0]=4 9722 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)Br 62a_100015193705_100012353751 [0,2,0,0,0,0|2,0,0]=4 9723 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)C 62a_100000210833_100015193705 [0,2,0,0,0,0|2,0,0]=4 9724 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)C 62a_100015193705_100000210833 [0,2,0,0,0,0|2,0,0]=4 9725 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)Cl 62a_100012356289_100015193705 [0,2,0,0,0,0|2,0,0]=4 9726 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)Cl 62a_100015193705_100012356289 [0,2,0,0,0,0|2,0,0]=4 9727 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)F 62a_100000736223_100015193705 [0,2,0,0,0,0|2,0,0]=4 9728 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)F 62a_100015193705_100000736223 [0,2,0,0,0,0|2,0,0]=4 9729 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)N 62a_100011356834_100015193705 [0,2,0,0,0,0|2,0,0]=4 9730 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)N 62a_100015193705_100011356834 [0,2,0,0,0,0|2,0,0]=4 9731 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)O 62a_100000765521_100015193705 [0,2,0,0,0,0|2,0,0]=4 9732 B17R2.5365 Cc1ccc(c(c1)SCc2ccncc2)O 62a_100015193705_100000765521 [0,2,0,0,0,0|2,0,0]=4 9733 B17R2.5365 Cc1ccc(c(n1)CSc2ccccc2)Cl 62a_100000719477_200009852033 [0,2,0,0,0,0|2,0,0]=4 9734 B17R2.5365 Cc1ccc(c(n1)CSc2ccccc2)Cl 62a_200009852033_100000041952 [0,2,0,0,0,0|2,0,0]=4 9735 B17R2.5365 Cc1ccc(c(n1)CSc2ccccc2)O 62a_100000719477_100020630696 [0,2,0,0,0,0|2,0,0]=4 9736 B17R2.5365 Cc1ccc(c(n1)CSc2ccccc2)O 62a_100020630696_100000041952 [0,2,0,0,0,0|2,0,0]=4 9737 B17R2.5365 Cc1ccc(c(n1)SCc2ccccc2)C 62a_100000211182_100009854376 [0,2,0,0,0,0|2,0,0]=4 9738 B17R2.5365 Cc1ccc(c(n1)SCc2ccccc2)C 62a_100009854376_100015291786 [0,2,0,0,0,0|2,0,0]=4 9739 B17R2.5365 Cc1ccc(c(n1)SCc2ccccc2)F 62a_100000211182_100009817602 [0,2,0,0,0,0|2,0,0]=4 9740 B17R2.5365 Cc1ccc(c(n1)SCc2ccccc2)F 62a_100009817602_100015291786 [0,2,0,0,0,0|2,0,0]=4 9741 B17R2.5365 Cc1ccc(c(n1)SCc2ccccc2)N 62a_100000211182_100000685570 [0,2,0,0,0,0|2,0,0]=4 9742 B17R2.5365 Cc1ccc(c(n1)SCc2ccccc2)N 62a_100000685570_100015291786 [0,2,0,0,0,0|2,0,0]=4 9743 B17R2.5365 Cc1ccc(c(n1)SCc2ccccc2)O 62a_100000211182_100000702858 [0,2,0,0,0,0|2,0,0]=4 9744 B17R2.5365 Cc1ccc(c(n1)SCc2ccccc2)O 62a_100000702858_100015291786 [0,2,0,0,0,0|2,0,0]=4 9745 B17R2.5365 Cc1ccc(cc1C#Cc2ccccc2)Br 271570a_100000069678_100011344865 [0,2,0,0,0,0|2,0,0]=4 9746 B17R2.5365 Cc1ccc(cc1C#Cc2ccccc2)Cl 271570a_100000069678_100011263213 [0,2,0,0,0,0|2,0,0]=4 9747 B17R2.5365 Cc1ccc(cc1C#Cc2ccccc2)F 271570a_100000069678_100011218078 [0,2,0,0,0,0|2,0,0]=4 9748 B17R2.5365 Cc1ccc(cc1C#Cc2ccccc2)N 271570a_100000069678_100000736455 [0,2,0,0,0,0|2,0,0]=4 9749 B17R2.5365 Cc1ccc(cc1C#Cc2ccccc2)O 271570a_100000069678_100011380479 [0,2,0,0,0,0|2,0,0]=4 9750 B17R2.5365 Cc1ccc(cc1C=Cc2ccccc2)Br 271570a_100102527694_100011344865 [0,2,0,0,0,0|2,0,0]=4 9751 B17R2.5365 Cc1ccc(cc1C=Cc2ccccc2)Cl 271570a_100102527694_100011263213 [0,2,0,0,0,0|2,0,0]=4 9752 B17R2.5365 Cc1ccc(cc1C=Cc2ccccc2)F 271570a_100102527694_100011218078 [0,2,0,0,0,0|2,0,0]=4 9753 B17R2.5365 Cc1ccc(cc1C=Cc2ccccc2)N 271570a_100102527694_100000736455 [0,2,0,0,0,0|2,0,0]=4 9754 B17R2.5365 Cc1ccc(cc1C=Cc2ccccc2)O 271570a_100102527694_100011380479 [0,2,0,0,0,0|2,0,0]=4 9755 B17R2.5365 Cc1ccc(cc1CNc2ccccc2)Br 207a_100000106764_100011361606 [0,2,0,0,0,0|2,0,0]=4 9756 B17R2.5365 Cc1ccc(cc1CNc2ccccc2)Br 270302a_100000106764_100011361606 [0,2,0,0,0,0|2,0,0]=4 9757 B17R2.5365 Cc1ccc(cc1CNc2ccccc2)Cl 207a_100000106764_100011551331 [0,2,0,0,0,0|2,0,0]=4 9758 B17R2.5365 Cc1ccc(cc1CNc2ccccc2)Cl 270302a_100000106764_100011551331 [0,2,0,0,0,0|2,0,0]=4 9759 B17R2.5365 Cc1ccc(cc1CNc2ccccc2)Cl 34a_100000106764_100012186985 [0,2,0,0,0,0|2,0,0]=4 9760 B17R2.5365 Cc1ccc(cc1CNc2ccccc2)F 207a_100000106764_100000697687 [0,2,0,0,0,0|2,0,0]=4 9761 B17R2.5365 Cc1ccc(cc1CNc2ccccc2)F 270302a_100000106764_100000697687 [0,2,0,0,0,0|2,0,0]=4 9762 B17R2.5365 Cc1ccc(cc1CNc2ccccc2)F 34a_100000106764_100000709795 [0,2,0,0,0,0|2,0,0]=4 9763 B17R2.5365 Cc1ccc(cc1COc2ccccc2)Cl 34a_100000210340_100012186985 [0,2,0,0,0,0|1,1,0]=4 9764 B17R2.5365 Cc1ccc(cc1COc2ccccc2)Cl 7a_100000210340_100012186985 [0,2,0,0,0,0|1,1,0]=4 9765 B17R2.5365 Cc1ccc(cc1COc2ccccc2)F 34a_100000210340_100000709795 [0,2,0,0,0,0|1,1,0]=4 9766 B17R2.5365 Cc1ccc(cc1COc2ccccc2)F 7a_100000210340_100000709795 [0,2,0,0,0,0|1,1,0]=4 9767 B17R2.5365 Cc1ccc(cc1CSc2ccccc2)Cl 62a_100000719477_100012186985 [0,2,0,0,0,0|1,0,0]=3 9768 B17R2.5365 Cc1ccc(cc1CSc2ccccc2)Cl 62a_100012186985_100000041952 [0,2,0,0,0,0|1,0,0]=3 9769 B17R2.5365 Cc1ccc(cc1CSc2ccccc2)F 62a_100000709795_100000041952 [0,2,0,0,0,0|1,0,0]=3 9770 B17R2.5365 Cc1ccc(cc1CSc2ccccc2)F 62a_100000719477_100000709795 [0,2,0,0,0,0|1,0,0]=3 9771 B17R2.5365 Cc1ccc(cc1CSc2ccccn2)Cl 62a_100011216584_100012186985 [0,2,0,0,0,0|2,0,0]=4 9772 B17R2.5365 Cc1ccc(cc1CSc2ccccn2)Cl 62a_100012186985_100011216584 [0,2,0,0,0,0|2,0,0]=4 9773 B17R2.5365 Cc1ccc(cc1CSc2ccccn2)F 62a_100000709795_100011216584 [0,2,0,0,0,0|2,0,0]=4 9774 B17R2.5365 Cc1ccc(cc1CSc2ccccn2)F 62a_100011216584_100000709795 [0,2,0,0,0,0|2,0,0]=4 9775 B17R2.5365 Cc1ccc(cc1CSc2cccnc2)Cl 62a_100000210063_100012186985 [0,2,0,0,0,0|2,0,0]=4 9776 B17R2.5365 Cc1ccc(cc1CSc2cccnc2)Cl 62a_100012186985_100000210063 [0,2,0,0,0,0|2,0,0]=4 9777 B17R2.5365 Cc1ccc(cc1CSc2cccnc2)F 62a_100000210063_100000709795 [0,2,0,0,0,0|2,0,0]=4 9778 B17R2.5365 Cc1ccc(cc1CSc2cccnc2)F 62a_100000709795_100000210063 [0,2,0,0,0,0|2,0,0]=4 9779 B17R2.5365 Cc1ccc(cc1CSc2ccncc2)Cl 62a_100000728582_100012186985 [0,2,0,0,0,0|2,0,0]=4 9780 B17R2.5365 Cc1ccc(cc1CSc2ccncc2)Cl 62a_100012186985_100000728582 [0,2,0,0,0,0|2,0,0]=4 9781 B17R2.5365 Cc1ccc(cc1CSc2ccncc2)F 62a_100000709795_100000728582 [0,2,0,0,0,0|2,0,0]=4 9782 B17R2.5365 Cc1ccc(cc1CSc2ccncc2)F 62a_100000728582_100000709795 [0,2,0,0,0,0|2,0,0]=4 9783 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)Br 207a_100000741167_100015611070 [0,2,0,0,0,0|2,0,0]=4 9784 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)Br 270302a_100000741167_100015611070 [0,2,0,0,0,0|2,0,0]=4 9785 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)Br 34a_100000741167_100015291786 [0,2,0,0,0,0|2,0,0]=4 9786 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)Br 7a_100000741167_100000211182 [0,2,0,0,0,0|2,0,0]=4 9787 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)Cl 207a_100000211374_100015611070 [0,2,0,0,0,0|2,0,0]=4 9788 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)Cl 270302a_100000211374_100015611070 [0,2,0,0,0,0|2,0,0]=4 9789 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)Cl 34a_100000211374_100015291786 [0,2,0,0,0,0|2,0,0]=4 9790 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)Cl 7a_100000211374_100000211182 [0,2,0,0,0,0|2,0,0]=4 9791 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)F 207a_100000211107_100015611070 [0,2,0,0,0,0|2,0,0]=4 9792 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)F 270302a_100000211107_100015611070 [0,2,0,0,0,0|2,0,0]=4 9793 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)F 34a_100000211107_100015291786 [0,2,0,0,0,0|2,0,0]=4 9794 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)F 7a_100000211107_100000211182 [0,2,0,0,0,0|2,0,0]=4 9795 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)I 207a_100000761890_100015611070 [0,2,0,0,0,0|2,0,0]=4 9796 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)I 270302a_100000761890_100015611070 [0,2,0,0,0,0|2,0,0]=4 9797 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)I 7a_100000761890_100000211182 [0,2,0,0,0,0|2,0,0]=4 9798 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)O 270302a_100011216113_100015611070 [0,2,0,0,0,0|2,0,0]=4 9799 B17R2.5365 Cc1ccc(cc1NCc2ccccc2)O 34a_100011216113_100015291786 [0,2,0,0,0,0|2,0,0]=4 9800 B17R2.5365 Cc1ccc(cc1OCc2ccccc2)Br 34a_100000685420_100015291786 [0,2,0,0,0,0|1,1,0]=4 9801 B17R2.5365 Cc1ccc(cc1OCc2ccccc2)Br 7a_100000685420_100000211182 [0,2,0,0,0,0|1,1,0]=4 9802 B17R2.5365 Cc1ccc(cc1OCc2ccccc2)Cl 34a_100000756515_100015291786 [0,2,0,0,0,0|1,1,0]=4 9803 B17R2.5365 Cc1ccc(cc1OCc2ccccc2)Cl 7a_100000756515_100000211182 [0,2,0,0,0,0|1,1,0]=4 9804 B17R2.5365 Cc1ccc(cc1OCc2ccccc2)F 34a_100000690566_100015291786 [0,2,0,0,0,0|1,1,0]=4 9805 B17R2.5365 Cc1ccc(cc1OCc2ccccc2)F 7a_100000690566_100000211182 [0,2,0,0,0,0|1,1,0]=4 9806 B17R2.5365 Cc1ccc(cc1OCc2ccccc2)I 7a_100000766334_100000211182 [0,2,0,0,0,0|1,1,0]=4 9807 B17R2.5365 Cc1ccc(cc1OCc2ccccc2)N 34a_100000759471_100015291786 [0,2,0,0,0,0|1,1,0]=4 9808 B17R2.5365 Cc1ccc(cc1OCc2ccccc2)N 7a_100000759471_100000211182 [0,2,0,0,0,0|1,1,0]=4 9809 B17R2.5365 Cc1ccc(cc1OCc2ccccc2)O 271570a_203496583355_200012360524 [0,2,0,0,0,0|1,1,0]=4 9810 B17R2.5365 Cc1ccc(cc1SCc2ccccc2)Br 62a_100000211182_100011344865 [0,2,0,0,0,0|1,0,0]=3 9811 B17R2.5365 Cc1ccc(cc1SCc2ccccc2)Br 62a_100011344865_100015291786 [0,2,0,0,0,0|1,0,0]=3 9812 B17R2.5365 Cc1ccc(cc1SCc2ccccc2)Cl 62a_100000211182_100011263213 [0,2,0,0,0,0|1,0,0]=3 9813 B17R2.5365 Cc1ccc(cc1SCc2ccccc2)Cl 62a_100011263213_100015291786 [0,2,0,0,0,0|1,0,0]=3 9814 B17R2.5365 Cc1ccc(cc1SCc2ccccc2)F 62a_100000211182_100011218078 [0,2,0,0,0,0|1,0,0]=3 9815 B17R2.5365 Cc1ccc(cc1SCc2ccccc2)F 62a_100011218078_100015291786 [0,2,0,0,0,0|1,0,0]=3 9816 B17R2.5365 Cc1ccc(cc1SCc2ccccc2)N 62a_100000211182_100000736455 [0,2,0,0,0,0|1,0,0]=3 9817 B17R2.5365 Cc1ccc(cc1SCc2ccccc2)N 62a_100000736455_100015291786 [0,2,0,0,0,0|1,0,0]=3 9818 B17R2.5365 Cc1ccc(cc1SCc2ccccc2)O 62a_100000211182_100011380479 [0,2,0,0,0,0|1,0,0]=3 9819 B17R2.5365 Cc1ccc(cc1SCc2ccccc2)O 62a_100011380479_100015291786 [0,2,0,0,0,0|1,0,0]=3 9820 B17R2.5365 Cc1ccc(cc1SCc2ccccn2)Br 62a_100000721315_100011344865 [0,2,0,0,0,0|2,0,0]=4 9821 B17R2.5365 Cc1ccc(cc1SCc2ccccn2)Br 62a_100011344865_100000721315 [0,2,0,0,0,0|2,0,0]=4 9822 B17R2.5365 Cc1ccc(cc1SCc2ccccn2)Cl 62a_100000721315_100011263213 [0,2,0,0,0,0|2,0,0]=4 9823 B17R2.5365 Cc1ccc(cc1SCc2ccccn2)Cl 62a_100011263213_100000721315 [0,2,0,0,0,0|2,0,0]=4 9824 B17R2.5365 Cc1ccc(cc1SCc2ccccn2)F 62a_100000721315_100011218078 [0,2,0,0,0,0|2,0,0]=4 9825 B17R2.5365 Cc1ccc(cc1SCc2ccccn2)F 62a_100011218078_100000721315 [0,2,0,0,0,0|2,0,0]=4 9826 B17R2.5365 Cc1ccc(cc1SCc2ccccn2)N 62a_100000721315_100000736455 [0,2,0,0,0,0|2,0,0]=4 9827 B17R2.5365 Cc1ccc(cc1SCc2ccccn2)N 62a_100000736455_100000721315 [0,2,0,0,0,0|2,0,0]=4 9828 B17R2.5365 Cc1ccc(cc1SCc2ccccn2)O 62a_100000721315_100011380479 [0,2,0,0,0,0|2,0,0]=4 9829 B17R2.5365 Cc1ccc(cc1SCc2ccccn2)O 62a_100011380479_100000721315 [0,2,0,0,0,0|2,0,0]=4 9830 B17R2.5365 Cc1ccc(cc1SCc2cccnc2)Br 62a_100000741622_100011344865 [0,2,0,0,0,0|2,0,0]=4 9831 B17R2.5365 Cc1ccc(cc1SCc2cccnc2)Br 62a_100011344865_100000741622 [0,2,0,0,0,0|2,0,0]=4 9832 B17R2.5365 Cc1ccc(cc1SCc2cccnc2)Cl 62a_100000741622_100011263213 [0,2,0,0,0,0|2,0,0]=4 9833 B17R2.5365 Cc1ccc(cc1SCc2cccnc2)Cl 62a_100011263213_100000741622 [0,2,0,0,0,0|2,0,0]=4 9834 B17R2.5365 Cc1ccc(cc1SCc2cccnc2)F 62a_100000741622_100011218078 [0,2,0,0,0,0|2,0,0]=4 9835 B17R2.5365 Cc1ccc(cc1SCc2cccnc2)F 62a_100011218078_100000741622 [0,2,0,0,0,0|2,0,0]=4 9836 B17R2.5365 Cc1ccc(cc1SCc2cccnc2)N 62a_100000736455_100000741622 [0,2,0,0,0,0|2,0,0]=4 9837 B17R2.5365 Cc1ccc(cc1SCc2cccnc2)N 62a_100000741622_100000736455 [0,2,0,0,0,0|2,0,0]=4 9838 B17R2.5365 Cc1ccc(cc1SCc2cccnc2)O 62a_100000741622_100011380479 [0,2,0,0,0,0|2,0,0]=4 9839 B17R2.5365 Cc1ccc(cc1SCc2cccnc2)O 62a_100011380479_100000741622 [0,2,0,0,0,0|2,0,0]=4 9840 B17R2.5365 Cc1ccc(cc1SCc2ccncc2)Br 62a_100011344865_100015193705 [0,2,0,0,0,0|2,0,0]=4 9841 B17R2.5365 Cc1ccc(cc1SCc2ccncc2)Br 62a_100015193705_100011344865 [0,2,0,0,0,0|2,0,0]=4 9842 B17R2.5365 Cc1ccc(cc1SCc2ccncc2)Cl 62a_100011263213_100015193705 [0,2,0,0,0,0|2,0,0]=4 9843 B17R2.5365 Cc1ccc(cc1SCc2ccncc2)Cl 62a_100015193705_100011263213 [0,2,0,0,0,0|2,0,0]=4 9844 B17R2.5365 Cc1ccc(cc1SCc2ccncc2)F 62a_100011218078_100015193705 [0,2,0,0,0,0|2,0,0]=4 9845 B17R2.5365 Cc1ccc(cc1SCc2ccncc2)F 62a_100015193705_100011218078 [0,2,0,0,0,0|2,0,0]=4 9846 B17R2.5365 Cc1ccc(cc1SCc2ccncc2)N 62a_100000736455_100015193705 [0,2,0,0,0,0|2,0,0]=4 9847 B17R2.5365 Cc1ccc(cc1SCc2ccncc2)N 62a_100015193705_100000736455 [0,2,0,0,0,0|2,0,0]=4 9848 B17R2.5365 Cc1ccc(cc1SCc2ccncc2)O 62a_100011380479_100015193705 [0,2,0,0,0,0|2,0,0]=4 9849 B17R2.5365 Cc1ccc(cc1SCc2ccncc2)O 62a_100015193705_100011380479 [0,2,0,0,0,0|2,0,0]=4 9850 B17R2.5365 Cc1ccc(nc1SCc2ccccc2)N 62a_100000126722_100015291786 [0,2,0,0,0,0|2,0,0]=4 9851 B17R2.5365 Cc1ccc(nc1SCc2ccccc2)N 62a_100000211182_100000126722 [0,2,0,0,0,0|2,0,0]=4 9852 B17R2.5365 Cc1cnc(c(c1)SCc2ccccc2)C 62a_100000211182_100009817436 [0,2,0,0,0,0|2,0,0]=4 9853 B17R2.5365 Cc1cnc(c(c1)SCc2ccccc2)C 62a_100009817436_100015291786 [0,2,0,0,0,0|2,0,0]=4 9854 B17R2.5365 Cc1cnc(c(c1)SCc2ccccc2)Cl 62a_100000211182_100010210167 [0,2,0,0,0,0|2,0,0]=4 9855 B17R2.5365 Cc1cnc(c(c1)SCc2ccccc2)Cl 62a_100010210167_100015291786 [0,2,0,0,0,0|2,0,0]=4 9856 B17R2.5365 Cc1cnc(c(c1)SCc2ccccc2)F 62a_100000049784_100015291786 [0,2,0,0,0,0|2,0,0]=4 9857 B17R2.5365 Cc1cnc(c(c1)SCc2ccccc2)F 62a_100000211182_100000049784 [0,2,0,0,0,0|2,0,0]=4 9858 B17R2.5365 Cc1cnc(c(c1)SCc2ccccc2)N 62a_100000049664_100015291786 [0,2,0,0,0,0|2,0,0]=4 9859 B17R2.5365 Cc1cnc(c(c1)SCc2ccccc2)N 62a_100000211182_100000049664 [0,2,0,0,0,0|2,0,0]=4 9860 B17R2.5365 Cc1cnc(c(c1)SCc2ccccc2)O 62a_100000211182_100000719714 [0,2,0,0,0,0|2,0,0]=4 9861 B17R2.5365 Cc1cnc(c(c1)SCc2ccccc2)O 62a_100000719714_100015291786 [0,2,0,0,0,0|2,0,0]=4 9862 B17R2.5365 Cc1cnc(cc1SCc2ccccc2)Br 62a_100000211182_100010067628 [0,2,0,0,0,0|2,0,0]=4 9863 B17R2.5365 Cc1cnc(cc1SCc2ccccc2)Br 62a_100010067628_100015291786 [0,2,0,0,0,0|2,0,0]=4 9864 B17R2.5365 Cc1cnc(cc1SCc2ccccc2)Cl 62a_100000211182_100010068021 [0,2,0,0,0,0|2,0,0]=4 9865 B17R2.5365 Cc1cnc(cc1SCc2ccccc2)Cl 62a_100010068021_100015291786 [0,2,0,0,0,0|2,0,0]=4 9866 B17R2.5365 Cc1cnc(cc1SCc2ccccc2)F 62a_100000049870_100015291786 [0,2,0,0,0,0|2,0,0]=4 9867 B17R2.5365 Cc1cnc(cc1SCc2ccccc2)F 62a_100000211182_100000049870 [0,2,0,0,0,0|2,0,0]=4 9868 B17R2.5365 Cc1cnc(cc1SCc2ccccc2)N 62a_100000211182_100009819938 [0,2,0,0,0,0|2,0,0]=4 9869 B17R2.5365 Cc1cnc(cc1SCc2ccccc2)N 62a_100009819938_100015291786 [0,2,0,0,0,0|2,0,0]=4 9870 B17R2.5365 Cc1cnc(cc1SCc2ccccc2)O 62a_100000211182_100009831917 [0,2,0,0,0,0|2,0,0]=4 9871 B17R2.5365 Cc1cnc(cc1SCc2ccccc2)O 62a_100009831917_100015291786 [0,2,0,0,0,0|2,0,0]=4 9872 B17R2.5365 Cc1ncc(cc1SCc2ccccc2)Br 62a_100000211182_200010090566 [0,2,0,0,0,0|2,0,0]=4 9873 B17R2.5365 Cc1ncc(cc1SCc2ccccc2)Br 62a_200010090566_100015291786 [0,2,0,0,0,0|2,0,0]=4 9874 B17R2.5365 Cc1ncc(cc1SCc2ccccc2)F 62a_100000211182_100009860710 [0,2,0,0,0,0|2,0,0]=4 9875 B17R2.5365 Cc1ncc(cc1SCc2ccccc2)F 62a_100009860710_100015291786 [0,2,0,0,0,0|2,0,0]=4 9876 B17R2.5365 Cc1ncc(cc1SCc2ccccc2)N 62a_100000211182_100011998591 [0,2,0,0,0,0|2,0,0]=4 9877 B17R2.5365 Cc1ncc(cc1SCc2ccccc2)N 62a_100011998591_100015291786 [0,2,0,0,0,0|2,0,0]=4 9878 B17R2.5365 Cc1ncc(cc1SCc2ccccc2)O 62a_100000211182_100009819603 [0,2,0,0,0,0|2,0,0]=4 9879 B17R2.5365 Cc1ncc(cc1SCc2ccccc2)O 62a_100009819603_100015291786 [0,2,0,0,0,0|2,0,0]=4 9880 B17R2.5365 Clc1cc(c(cn1)Br)SCc2ccccc2 62a_100000211182_100009815598 [0,2,0,0,0,0|2,0,0]=4 9881 B17R2.5365 Clc1cc(c(cn1)Br)SCc2ccccc2 62a_100009815598_100015291786 [0,2,0,0,0,0|2,0,0]=4 9882 B17R2.5365 Clc1cc(c(cn1)Cl)SCc2ccccc2 62a_100000211182_100010172835 [0,2,0,0,0,0|2,0,0]=4 9883 B17R2.5365 Clc1cc(c(cn1)Cl)SCc2ccccc2 62a_100010172835_100015291786 [0,2,0,0,0,0|2,0,0]=4 9884 B17R2.5365 Clc1ccc(c(c1)C#Cc2ccccc2)Br 271570a_100000069678_100012339723 [0,2,0,0,0,0|2,0,0]=4 9885 B17R2.5365 Clc1ccc(c(c1)C#Cc2ccccc2)Cl 271570a_100000069678_100000707729 [0,2,0,0,0,0|2,0,0]=4 9886 B17R2.5365 Clc1ccc(c(c1)C=Cc2ccccc2)Br 271570a_100102527694_100012339723 [0,2,0,0,0,0|2,0,0]=4 9887 B17R2.5365 Clc1ccc(c(c1)C=Cc2ccccc2)Cl 271570a_100102527694_100000707729 [0,2,0,0,0,0|2,0,0]=4 9888 B17R2.5365 Clc1ccc(c(c1)CNc2ccccc2)Br 207a_100000106764_100000746314 [0,2,0,0,0,0|2,0,0]=4 9889 B17R2.5365 Clc1ccc(c(c1)CNc2ccccc2)Br 270302a_100000106764_100000746314 [0,2,0,0,0,0|2,0,0]=4 9890 B17R2.5365 Clc1ccc(c(c1)CNc2ccccc2)Br 34a_100000106764_100000733903 [0,2,0,0,0,0|2,0,0]=4 9891 B17R2.5365 Clc1ccc(c(c1)CNc2ccccc2)Cl 207a_100000106764_100000746308 [0,2,0,0,0,0|2,0,0]=4 9892 B17R2.5365 Clc1ccc(c(c1)CNc2ccccc2)Cl 270302a_100000106764_100000746308 [0,2,0,0,0,0|2,0,0]=4 9893 B17R2.5365 Clc1ccc(c(c1)CNc2ccccc2)Cl 34a_100000106764_100000756322 [0,2,0,0,0,0|2,0,0]=4 9894 B17R2.5365 Clc1ccc(c(c1)CNc2ccccc2)I 207a_100000106764_100010254386 [0,2,0,0,0,0|2,0,0]=4 9895 B17R2.5365 Clc1ccc(c(c1)CNc2ccccc2)I 34a_100000106764_100012348826 [0,2,0,0,0,0|2,0,0]=4 9896 B17R2.5365 Clc1ccc(c(c1)COc2ccccc2)Br 34a_100000210340_100000733903 [0,2,0,0,0,0|1,1,0]=4 9897 B17R2.5365 Clc1ccc(c(c1)COc2ccccc2)Br 7a_100000210340_100000733903 [0,2,0,0,0,0|1,1,0]=4 9898 B17R2.5365 Clc1ccc(c(c1)COc2ccccc2)Cl 34a_100000210340_100000756322 [0,2,0,0,0,0|1,1,0]=4 9899 B17R2.5365 Clc1ccc(c(c1)COc2ccccc2)Cl 7a_100000210340_100000756322 [0,2,0,0,0,0|1,1,0]=4 9900 B17R2.5365 Clc1ccc(c(c1)COc2ccccc2)I 34a_100000210340_100012348826 [0,2,0,0,0,0|1,1,0]=4 9901 B17R2.5365 Clc1ccc(c(c1)COc2ccccc2)I 7a_100000210340_100012348826 [0,2,0,0,0,0|1,1,0]=4 9902 B17R2.5365 Clc1ccc(c(c1)CSc2ccccc2)Br 62a_100000719477_100000733903 [0,2,0,0,0,0|1,0,0]=3 9903 B17R2.5365 Clc1ccc(c(c1)CSc2ccccc2)Br 62a_100000733903_100000041952 [0,2,0,0,0,0|1,0,0]=3 9904 B17R2.5365 Clc1ccc(c(c1)CSc2ccccc2)Cl 62a_100000719477_100000756322 [0,2,0,0,0,0|1,0,0]=3 9905 B17R2.5365 Clc1ccc(c(c1)CSc2ccccc2)Cl 62a_100000756322_100000041952 [0,2,0,0,0,0|1,0,0]=3 9906 B17R2.5365 Clc1ccc(c(c1)CSc2ccccc2)I 62a_100000719477_100012348826 [0,2,0,0,0,0|1,0,0]=3 9907 B17R2.5365 Clc1ccc(c(c1)CSc2ccccc2)I 62a_100012348826_100000041952 [0,2,0,0,0,0|1,0,0]=3 9908 B17R2.5365 Clc1ccc(c(c1)CSc2ccccn2)Br 62a_100000733903_100011216584 [0,2,0,0,0,0|2,0,0]=4 9909 B17R2.5365 Clc1ccc(c(c1)CSc2ccccn2)Br 62a_100011216584_100000733903 [0,2,0,0,0,0|2,0,0]=4 9910 B17R2.5365 Clc1ccc(c(c1)CSc2ccccn2)Cl 62a_100000756322_100011216584 [0,2,0,0,0,0|2,0,0]=4 9911 B17R2.5365 Clc1ccc(c(c1)CSc2ccccn2)Cl 62a_100011216584_100000756322 [0,2,0,0,0,0|2,0,0]=4 9912 B17R2.5365 Clc1ccc(c(c1)CSc2ccccn2)I 62a_100011216584_100012348826 [0,2,0,0,0,0|2,0,0]=4 9913 B17R2.5365 Clc1ccc(c(c1)CSc2ccccn2)I 62a_100012348826_100011216584 [0,2,0,0,0,0|2,0,0]=4 9914 B17R2.5365 Clc1ccc(c(c1)CSc2cccnc2)Br 62a_100000210063_100000733903 [0,2,0,0,0,0|2,0,0]=4 9915 B17R2.5365 Clc1ccc(c(c1)CSc2cccnc2)Br 62a_100000733903_100000210063 [0,2,0,0,0,0|2,0,0]=4 9916 B17R2.5365 Clc1ccc(c(c1)CSc2cccnc2)Cl 62a_100000210063_100000756322 [0,2,0,0,0,0|2,0,0]=4 9917 B17R2.5365 Clc1ccc(c(c1)CSc2cccnc2)Cl 62a_100000756322_100000210063 [0,2,0,0,0,0|2,0,0]=4 9918 B17R2.5365 Clc1ccc(c(c1)CSc2cccnc2)I 62a_100000210063_100012348826 [0,2,0,0,0,0|2,0,0]=4 9919 B17R2.5365 Clc1ccc(c(c1)CSc2cccnc2)I 62a_100012348826_100000210063 [0,2,0,0,0,0|2,0,0]=4 9920 B17R2.5365 Clc1ccc(c(c1)CSc2ccncc2)Br 62a_100000728582_100000733903 [0,2,0,0,0,0|2,0,0]=4 9921 B17R2.5365 Clc1ccc(c(c1)CSc2ccncc2)Br 62a_100000733903_100000728582 [0,2,0,0,0,0|2,0,0]=4 9922 B17R2.5365 Clc1ccc(c(c1)CSc2ccncc2)Cl 62a_100000728582_100000756322 [0,2,0,0,0,0|2,0,0]=4 9923 B17R2.5365 Clc1ccc(c(c1)CSc2ccncc2)Cl 62a_100000756322_100000728582 [0,2,0,0,0,0|2,0,0]=4 9924 B17R2.5365 Clc1ccc(c(c1)CSc2ccncc2)I 62a_100000728582_100012348826 [0,2,0,0,0,0|2,0,0]=4 9925 B17R2.5365 Clc1ccc(c(c1)CSc2ccncc2)I 62a_100012348826_100000728582 [0,2,0,0,0,0|2,0,0]=4 9926 B17R2.5365 Clc1ccc(c(c1)NCc2ccccc2)Br 34a_100000687073_100015291786 [0,2,0,0,0,0|2,0,0]=4 9927 B17R2.5365 Clc1ccc(c(c1)NCc2ccccc2)Cl 270302a_100000184485_100015611070 [0,2,0,0,0,0|2,0,0]=4 9928 B17R2.5365 Clc1ccc(c(c1)NCc2ccccc2)Cl 34a_100000184485_100015291786 [0,2,0,0,0,0|2,0,0]=4 9929 B17R2.5365 Clc1ccc(c(c1)NCc2ccccc2)I 34a_100000761886_100015291786 [0,2,0,0,0,0|2,0,0]=4 9930 B17R2.5365 Clc1ccc(c(c1)OCc2ccccc2)Br 34a_100012339455_100015291786 [0,2,0,0,0,0|1,1,0]=4 9931 B17R2.5365 Clc1ccc(c(c1)OCc2ccccc2)Br 7a_100012339455_100000211182 [0,2,0,0,0,0|1,1,0]=4 9932 B17R2.5365 Clc1ccc(c(c1)OCc2ccccc2)Cl 34a_100000211422_100015291786 [0,2,0,0,0,0|1,1,0]=4 9933 B17R2.5365 Clc1ccc(c(c1)OCc2ccccc2)Cl 7a_100000211422_100000211182 [0,2,0,0,0,0|1,1,0]=4 9934 B17R2.5365 Clc1ccc(c(c1)OCc2ccccc2)I 34a_100000050036_100015291786 [0,2,0,0,0,0|1,1,0]=4 9935 B17R2.5365 Clc1ccc(c(c1)OCc2ccccc2)I 7a_100000050036_100000211182 [0,2,0,0,0,0|1,1,0]=4 9936 B17R2.5365 Clc1ccc(c(c1)SCc2ccccc2)Br 62a_100000211182_100012339723 [0,2,0,0,0,0|1,0,0]=3 9937 B17R2.5365 Clc1ccc(c(c1)SCc2ccccc2)Br 62a_100012339723_100015291786 [0,2,0,0,0,0|1,0,0]=3 9938 B17R2.5365 Clc1ccc(c(c1)SCc2ccccc2)Cl 62a_100000211182_100000707729 [0,2,0,0,0,0|1,0,0]=3 9939 B17R2.5365 Clc1ccc(c(c1)SCc2ccccc2)Cl 62a_100000707729_100015291786 [0,2,0,0,0,0|1,0,0]=3 9940 B17R2.5365 Clc1ccc(c(c1)SCc2ccccn2)Br 62a_100000721315_100012339723 [0,2,0,0,0,0|2,0,0]=4 9941 B17R2.5365 Clc1ccc(c(c1)SCc2ccccn2)Br 62a_100012339723_100000721315 [0,2,0,0,0,0|2,0,0]=4 9942 B17R2.5365 Clc1ccc(c(c1)SCc2ccccn2)Cl 62a_100000707729_100000721315 [0,2,0,0,0,0|2,0,0]=4 9943 B17R2.5365 Clc1ccc(c(c1)SCc2ccccn2)Cl 62a_100000721315_100000707729 [0,2,0,0,0,0|2,0,0]=4 9944 B17R2.5365 Clc1ccc(c(c1)SCc2cccnc2)Br 62a_100000741622_100012339723 [0,2,0,0,0,0|2,0,0]=4 9945 B17R2.5365 Clc1ccc(c(c1)SCc2cccnc2)Br 62a_100012339723_100000741622 [0,2,0,0,0,0|2,0,0]=4 9946 B17R2.5365 Clc1ccc(c(c1)SCc2cccnc2)Cl 62a_100000707729_100000741622 [0,2,0,0,0,0|2,0,0]=4 9947 B17R2.5365 Clc1ccc(c(c1)SCc2cccnc2)Cl 62a_100000741622_100000707729 [0,2,0,0,0,0|2,0,0]=4 9948 B17R2.5365 Clc1ccc(c(c1)SCc2ccncc2)Br 62a_100012339723_100015193705 [0,2,0,0,0,0|2,0,0]=4 9949 B17R2.5365 Clc1ccc(c(c1)SCc2ccncc2)Br 62a_100015193705_100012339723 [0,2,0,0,0,0|2,0,0]=4 9950 B17R2.5365 Clc1ccc(c(c1)SCc2ccncc2)Cl 62a_100000707729_100015193705 [0,2,0,0,0,0|2,0,0]=4 9951 B17R2.5365 Clc1ccc(c(c1)SCc2ccncc2)Cl 62a_100015193705_100000707729 [0,2,0,0,0,0|2,0,0]=4 9952 B17R2.5365 Clc1ccc(c(n1)CSc2ccccc2)Cl 62a_100000059412_100000041952 [0,2,0,0,0,0|2,0,0]=4 9953 B17R2.5365 Clc1ccc(c(n1)CSc2ccccc2)Cl 62a_100000719477_100000059412 [0,2,0,0,0,0|2,0,0]=4 9954 B17R2.5365 Clc1ccc(cc1C#Cc2ccccc2)Br 271570a_100000069678_100011772130 [0,2,0,0,0,0|2,0,0]=4 9955 B17R2.5365 Clc1ccc(cc1C=Cc2ccccc2)Br 271570a_100102527694_100011772130 [0,2,0,0,0,0|2,0,0]=4 9956 B17R2.5365 Clc1ccc(cc1CNc2ccccc2)Br 207a_100000106764_100000746309 [0,2,0,0,0,0|2,0,0]=4 9957 B17R2.5365 Clc1ccc(cc1CNc2ccccc2)Br 270302a_100000106764_100000746309 [0,2,0,0,0,0|2,0,0]=4 9958 B17R2.5365 Clc1ccc(cc1CNc2ccccc2)Br 34a_100000106764_100000763347 [0,2,0,0,0,0|2,0,0]=4 9959 B17R2.5365 Clc1ccc(cc1CNc2ccccc2)I 207a_100000106764_100010254384 [0,2,0,0,0,0|2,0,0]=4 9960 B17R2.5365 Clc1ccc(cc1CNc2ccccc2)I 34a_100000106764_100010188191 [0,2,0,0,0,0|2,0,0]=4 9961 B17R2.5365 Clc1ccc(cc1COc2ccccc2)Br 34a_100000210340_100000763347 [0,2,0,0,0,0|1,1,0]=4 9962 B17R2.5365 Clc1ccc(cc1COc2ccccc2)Br 7a_100000210340_100000763347 [0,2,0,0,0,0|1,1,0]=4 9963 B17R2.5365 Clc1ccc(cc1COc2ccccc2)I 34a_100000210340_100010188191 [0,2,0,0,0,0|1,1,0]=4 9964 B17R2.5365 Clc1ccc(cc1COc2ccccc2)I 7a_100000210340_100010188191 [0,2,0,0,0,0|1,1,0]=4 9965 B17R2.5365 Clc1ccc(cc1CSc2ccccc2)Br 62a_100000719477_100000763347 [0,2,0,0,0,0|1,0,0]=3 9966 B17R2.5365 Clc1ccc(cc1CSc2ccccc2)Br 62a_100000763347_100000041952 [0,2,0,0,0,0|1,0,0]=3 9967 B17R2.5365 Clc1ccc(cc1CSc2ccccc2)I 62a_100000719477_100010188191 [0,2,0,0,0,0|1,0,0]=3 9968 B17R2.5365 Clc1ccc(cc1CSc2ccccc2)I 62a_100010188191_100000041952 [0,2,0,0,0,0|1,0,0]=3 9969 B17R2.5365 Clc1ccc(cc1CSc2ccccn2)Br 62a_100000763347_100011216584 [0,2,0,0,0,0|2,0,0]=4 9970 B17R2.5365 Clc1ccc(cc1CSc2ccccn2)Br 62a_100011216584_100000763347 [0,2,0,0,0,0|2,0,0]=4 9971 B17R2.5365 Clc1ccc(cc1CSc2ccccn2)I 62a_100010188191_100011216584 [0,2,0,0,0,0|2,0,0]=4 9972 B17R2.5365 Clc1ccc(cc1CSc2ccccn2)I 62a_100011216584_100010188191 [0,2,0,0,0,0|2,0,0]=4 9973 B17R2.5365 Clc1ccc(cc1CSc2cccnc2)Br 62a_100000210063_100000763347 [0,2,0,0,0,0|2,0,0]=4 9974 B17R2.5365 Clc1ccc(cc1CSc2cccnc2)Br 62a_100000763347_100000210063 [0,2,0,0,0,0|2,0,0]=4 9975 B17R2.5365 Clc1ccc(cc1CSc2cccnc2)I 62a_100000210063_100010188191 [0,2,0,0,0,0|2,0,0]=4 9976 B17R2.5365 Clc1ccc(cc1CSc2cccnc2)I 62a_100010188191_100000210063 [0,2,0,0,0,0|2,0,0]=4 9977 B17R2.5365 Clc1ccc(cc1CSc2ccncc2)Br 62a_100000728582_100000763347 [0,2,0,0,0,0|2,0,0]=4 9978 B17R2.5365 Clc1ccc(cc1CSc2ccncc2)Br 62a_100000763347_100000728582 [0,2,0,0,0,0|2,0,0]=4 9979 B17R2.5365 Clc1ccc(cc1CSc2ccncc2)I 62a_100000728582_100010188191 [0,2,0,0,0,0|2,0,0]=4 9980 B17R2.5365 Clc1ccc(cc1CSc2ccncc2)I 62a_100010188191_100000728582 [0,2,0,0,0,0|2,0,0]=4 9981 B17R2.5365 Clc1ccc(cc1NCc2ccccc2)Br 270302a_100000750497_100015611070 [0,2,0,0,0,0|2,0,0]=4 9982 B17R2.5365 Clc1ccc(cc1NCc2ccccc2)Br 34a_100000750497_100015291786 [0,2,0,0,0,0|2,0,0]=4 9983 B17R2.5365 Clc1ccc(cc1NCc2ccccc2)I 270302a_200000761891_100015611070 [0,2,0,0,0,0|2,0,0]=4 9984 B17R2.5365 Clc1ccc(cc1NCc2ccccc2)I 34a_200000761891_100015291786 [0,2,0,0,0,0|2,0,0]=4 9985 B17R2.5365 Clc1ccc(cc1OCc2ccccc2)Br 34a_100000738945_100015291786 [0,2,0,0,0,0|1,1,0]=4 9986 B17R2.5365 Clc1ccc(cc1OCc2ccccc2)Br 7a_100000738945_100000211182 [0,2,0,0,0,0|1,1,0]=4 9987 B17R2.5365 Clc1ccc(cc1OCc2ccccc2)I 34a_100011356854_100015291786 [0,2,0,0,0,0|1,1,0]=4 9988 B17R2.5365 Clc1ccc(cc1OCc2ccccc2)I 7a_100011356854_100000211182 [0,2,0,0,0,0|1,1,0]=4 9989 B17R2.5365 Clc1ccc(cc1SCc2ccccc2)Br 62a_100000211182_100011772130 [0,2,0,0,0,0|1,0,0]=3 9990 B17R2.5365 Clc1ccc(cc1SCc2ccccc2)Br 62a_100011772130_100015291786 [0,2,0,0,0,0|1,0,0]=3 9991 B17R2.5365 Clc1ccc(cc1SCc2ccccn2)Br 62a_100000721315_100011772130 [0,2,0,0,0,0|2,0,0]=4 9992 B17R2.5365 Clc1ccc(cc1SCc2ccccn2)Br 62a_100011772130_100000721315 [0,2,0,0,0,0|2,0,0]=4 9993 B17R2.5365 Clc1ccc(cc1SCc2cccnc2)Br 62a_100000741622_100011772130 [0,2,0,0,0,0|2,0,0]=4 9994 B17R2.5365 Clc1ccc(cc1SCc2cccnc2)Br 62a_100011772130_100000741622 [0,2,0,0,0,0|2,0,0]=4 9995 B17R2.5365 Clc1ccc(cc1SCc2ccncc2)Br 62a_100011772130_100015193705 [0,2,0,0,0,0|2,0,0]=4 9996 B17R2.5365 Clc1ccc(cc1SCc2ccncc2)Br 62a_100015193705_100011772130 [0,2,0,0,0,0|2,0,0]=4 9997 B17R2.5365 Clc1cnc(c(c1)SCc2ccccc2)Cl 62a_100000211182_200000062399 [0,2,0,0,0,0|2,0,0]=4 9998 B17R2.5365 Clc1cnc(c(c1)SCc2ccccc2)Cl 62a_200000062399_100015291786 [0,2,0,0,0,0|2,0,0]=4 9999 B17R2.5365 Clc1cnc(cc1SCc2ccccc2)Br 62a_100000211182_100010223331 [0,2,0,0,0,0|2,0,0]=4 10000 B17R2.5365 Clc1cnc(cc1SCc2ccccc2)Br 62a_100010223331_100015291786 [0,2,0,0,0,0|2,0,0]=4 10001 B17R2.5365 Clc1ncc(cc1CSc2ccccc2)Br 62a_100000719477_100009816982 [0,2,0,0,0,0|2,0,0]=4 10002 B17R2.5365 Clc1ncc(cc1CSc2ccccc2)Br 62a_100009816982_100000041952 [0,2,0,0,0,0|2,0,0]=4 10003 B17R2.5365 Clc1ncc(cc1SCc2ccccc2)Br 62a_100000211182_100009814771 [0,2,0,0,0,0|2,0,0]=4 10004 B17R2.5365 Clc1ncc(cc1SCc2ccccc2)Br 62a_100009814771_100015291786 [0,2,0,0,0,0|2,0,0]=4 10005 B17R2.5365 Cn1ccc(=O)c(c1)SCc2ccccc2 62a_100000211182_100010750718 [0,2,0,0,0,0|2,0,0]=4 10006 B17R2.5365 Cn1ccc(=O)c(c1)SCc2ccccc2 62a_100010750718_100015291786 [0,2,0,0,0,0|2,0,0]=4 10007 B17R2.5365 Fc1cc(c(cn1)Cl)SCc2ccccc2 62a_100000211182_100009892587 [0,2,0,0,0,0|2,0,0]=4 10008 B17R2.5365 Fc1cc(c(cn1)Cl)SCc2ccccc2 62a_100009892587_100015291786 [0,2,0,0,0,0|2,0,0]=4 10009 B17R2.5365 Fc1cc(c(cn1)F)SCc2ccccc2 62a_100000211182_100010233071 [0,2,0,0,0,0|2,0,0]=4 10010 B17R2.5365 Fc1cc(c(cn1)F)SCc2ccccc2 62a_100010233071_100015291786 [0,2,0,0,0,0|2,0,0]=4 10011 B17R2.5365 Fc1ccc(c(c1)C#Cc2ccccc2)Br 271570a_100000069678_100011217576 [0,2,0,0,0,0|2,0,0]=4 10012 B17R2.5365 Fc1ccc(c(c1)C#Cc2ccccc2)Cl 271570a_100000069678_100011217299 [0,2,0,0,0,0|2,0,0]=4 10013 B17R2.5365 Fc1ccc(c(c1)C#Cc2ccccc2)F 271570a_100000069678_100000750033 [0,2,0,0,0,0|2,0,0]=4 10014 B17R2.5365 Fc1ccc(c(c1)C=Cc2ccccc2)Br 271570a_100102527694_100011217576 [0,2,0,0,0,0|2,0,0]=4 10015 B17R2.5365 Fc1ccc(c(c1)C=Cc2ccccc2)Cl 271570a_100102527694_100011217299 [0,2,0,0,0,0|2,0,0]=4 10016 B17R2.5365 Fc1ccc(c(c1)C=Cc2ccccc2)F 271570a_100102527694_100000750033 [0,2,0,0,0,0|2,0,0]=4 10017 B17R2.5365 Fc1ccc(c(c1)CNc2ccccc2)Br 207a_100000106764_100000766564 [0,2,0,0,0,0|2,0,0]=4 10018 B17R2.5365 Fc1ccc(c(c1)CNc2ccccc2)Br 34a_100000106764_100000736370 [0,2,0,0,0,0|2,0,0]=4 10019 B17R2.5365 Fc1ccc(c(c1)CNc2ccccc2)Cl 207a_100000106764_100011218309 [0,2,0,0,0,0|2,0,0]=4 10020 B17R2.5365 Fc1ccc(c(c1)CNc2ccccc2)Cl 270302a_100000106764_100011218309 [0,2,0,0,0,0|2,0,0]=4 10021 B17R2.5365 Fc1ccc(c(c1)CNc2ccccc2)Cl 34a_100000106764_100000709952 [0,2,0,0,0,0|2,0,0]=4 10022 B17R2.5365 Fc1ccc(c(c1)CNc2ccccc2)F 207a_100000106764_100000740046 [0,2,0,0,0,0|2,0,0]=4 10023 B17R2.5365 Fc1ccc(c(c1)CNc2ccccc2)F 34a_100000106764_100000741279 [0,2,0,0,0,0|2,0,0]=4 10024 B17R2.5365 Fc1ccc(c(c1)CNc2ccccc2)I 207a_100000106764_100010186294 [0,2,0,0,0,0|2,0,0]=4 10025 B17R2.5365 Fc1ccc(c(c1)CNc2ccccc2)I 34a_100000106764_100010149606 [0,2,0,0,0,0|2,0,0]=4 10026 B17R2.5365 Fc1ccc(c(c1)COc2ccccc2)Br 34a_100000210340_100000736370 [0,2,0,0,0,0|1,1,0]=4 10027 B17R2.5365 Fc1ccc(c(c1)COc2ccccc2)Br 7a_100000210340_100000736370 [0,2,0,0,0,0|1,1,0]=4 10028 B17R2.5365 Fc1ccc(c(c1)COc2ccccc2)Cl 34a_100000210340_100000709952 [0,2,0,0,0,0|1,1,0]=4 10029 B17R2.5365 Fc1ccc(c(c1)COc2ccccc2)Cl 7a_100000210340_100000709952 [0,2,0,0,0,0|1,1,0]=4 10030 B17R2.5365 Fc1ccc(c(c1)COc2ccccc2)F 34a_100000210340_100000741279 [0,2,0,0,0,0|1,1,0]=4 10031 B17R2.5365 Fc1ccc(c(c1)COc2ccccc2)F 7a_100000210340_100000741279 [0,2,0,0,0,0|1,1,0]=4 10032 B17R2.5365 Fc1ccc(c(c1)COc2ccccc2)I 34a_100000210340_100010149606 [0,2,0,0,0,0|1,1,0]=4 10033 B17R2.5365 Fc1ccc(c(c1)COc2ccccc2)I 7a_100000210340_100010149606 [0,2,0,0,0,0|1,1,0]=4 10034 B17R2.5365 Fc1ccc(c(c1)CSc2ccccc2)Br 62a_100000719477_100000736370 [0,2,0,0,0,0|1,0,0]=3 10035 B17R2.5365 Fc1ccc(c(c1)CSc2ccccc2)Br 62a_100000736370_100000041952 [0,2,0,0,0,0|1,0,0]=3 10036 B17R2.5365 Fc1ccc(c(c1)CSc2ccccc2)Cl 62a_100000709952_100000041952 [0,2,0,0,0,0|1,0,0]=3 10037 B17R2.5365 Fc1ccc(c(c1)CSc2ccccc2)Cl 62a_100000719477_100000709952 [0,2,0,0,0,0|1,0,0]=3 10038 B17R2.5365 Fc1ccc(c(c1)CSc2ccccc2)F 62a_100000685659_100000041952 [0,2,0,0,0,0|1,0,0]=3 10039 B17R2.5365 Fc1ccc(c(c1)CSc2ccccc2)F 62a_100000719477_100000685659 [0,2,0,0,0,0|1,0,0]=3 10040 B17R2.5365 Fc1ccc(c(c1)CSc2ccccc2)I 62a_100000719477_100010149606 [0,2,0,0,0,0|1,0,0]=3 10041 B17R2.5365 Fc1ccc(c(c1)CSc2ccccc2)I 62a_100010149606_100000041952 [0,2,0,0,0,0|1,0,0]=3 10042 B17R2.5365 Fc1ccc(c(c1)CSc2ccccn2)Br 62a_100000736370_100011216584 [0,2,0,0,0,0|2,0,0]=4 10043 B17R2.5365 Fc1ccc(c(c1)CSc2ccccn2)Br 62a_100011216584_100000736370 [0,2,0,0,0,0|2,0,0]=4 10044 B17R2.5365 Fc1ccc(c(c1)CSc2ccccn2)Cl 62a_100000709952_100011216584 [0,2,0,0,0,0|2,0,0]=4 10045 B17R2.5365 Fc1ccc(c(c1)CSc2ccccn2)Cl 62a_100011216584_100000709952 [0,2,0,0,0,0|2,0,0]=4 10046 B17R2.5365 Fc1ccc(c(c1)CSc2ccccn2)F 62a_100000685659_100011216584 [0,2,0,0,0,0|2,0,0]=4 10047 B17R2.5365 Fc1ccc(c(c1)CSc2ccccn2)F 62a_100011216584_100000685659 [0,2,0,0,0,0|2,0,0]=4 10048 B17R2.5365 Fc1ccc(c(c1)CSc2ccccn2)I 62a_100010149606_100011216584 [0,2,0,0,0,0|2,0,0]=4 10049 B17R2.5365 Fc1ccc(c(c1)CSc2ccccn2)I 62a_100011216584_100010149606 [0,2,0,0,0,0|2,0,0]=4 10050 B17R2.5365 Fc1ccc(c(c1)CSc2cccnc2)Br 62a_100000210063_100000736370 [0,2,0,0,0,0|2,0,0]=4 10051 B17R2.5365 Fc1ccc(c(c1)CSc2cccnc2)Br 62a_100000736370_100000210063 [0,2,0,0,0,0|2,0,0]=4 10052 B17R2.5365 Fc1ccc(c(c1)CSc2cccnc2)Cl 62a_100000210063_100000709952 [0,2,0,0,0,0|2,0,0]=4 10053 B17R2.5365 Fc1ccc(c(c1)CSc2cccnc2)Cl 62a_100000709952_100000210063 [0,2,0,0,0,0|2,0,0]=4 10054 B17R2.5365 Fc1ccc(c(c1)CSc2cccnc2)F 62a_100000210063_100000685659 [0,2,0,0,0,0|2,0,0]=4 10055 B17R2.5365 Fc1ccc(c(c1)CSc2cccnc2)F 62a_100000685659_100000210063 [0,2,0,0,0,0|2,0,0]=4 10056 B17R2.5365 Fc1ccc(c(c1)CSc2cccnc2)I 62a_100000210063_100010149606 [0,2,0,0,0,0|2,0,0]=4 10057 B17R2.5365 Fc1ccc(c(c1)CSc2cccnc2)I 62a_100010149606_100000210063 [0,2,0,0,0,0|2,0,0]=4 10058 B17R2.5365 Fc1ccc(c(c1)CSc2ccncc2)Br 62a_100000728582_100000736370 [0,2,0,0,0,0|2,0,0]=4 10059 B17R2.5365 Fc1ccc(c(c1)CSc2ccncc2)Br 62a_100000736370_100000728582 [0,2,0,0,0,0|2,0,0]=4 10060 B17R2.5365 Fc1ccc(c(c1)CSc2ccncc2)Cl 62a_100000709952_100000728582 [0,2,0,0,0,0|2,0,0]=4 10061 B17R2.5365 Fc1ccc(c(c1)CSc2ccncc2)Cl 62a_100000728582_100000709952 [0,2,0,0,0,0|2,0,0]=4 10062 B17R2.5365 Fc1ccc(c(c1)CSc2ccncc2)F 62a_100000685659_100000728582 [0,2,0,0,0,0|2,0,0]=4 10063 B17R2.5365 Fc1ccc(c(c1)CSc2ccncc2)F 62a_100000728582_100000685659 [0,2,0,0,0,0|2,0,0]=4 10064 B17R2.5365 Fc1ccc(c(c1)CSc2ccncc2)I 62a_100000728582_100010149606 [0,2,0,0,0,0|2,0,0]=4 10065 B17R2.5365 Fc1ccc(c(c1)CSc2ccncc2)I 62a_100010149606_100000728582 [0,2,0,0,0,0|2,0,0]=4 10066 B17R2.5365 Fc1ccc(c(c1)NCc2ccccc2)Br 270302a_100000687223_100015611070 [0,2,0,0,0,0|2,0,0]=4 10067 B17R2.5365 Fc1ccc(c(c1)NCc2ccccc2)Br 34a_100000687223_100015291786 [0,2,0,0,0,0|2,0,0]=4 10068 B17R2.5365 Fc1ccc(c(c1)NCc2ccccc2)Cl 270302a_100000751338_100015611070 [0,2,0,0,0,0|2,0,0]=4 10069 B17R2.5365 Fc1ccc(c(c1)NCc2ccccc2)Cl 34a_100000751338_100015291786 [0,2,0,0,0,0|2,0,0]=4 10070 B17R2.5365 Fc1ccc(c(c1)NCc2ccccc2)F 207a_100000210742_100015611070 [0,2,0,0,0,0|2,0,0]=4 10071 B17R2.5365 Fc1ccc(c(c1)NCc2ccccc2)F 270302a_100000210742_100015611070 [0,2,0,0,0,0|2,0,0]=4 10072 B17R2.5365 Fc1ccc(c(c1)NCc2ccccc2)F 34a_100000210742_100015291786 [0,2,0,0,0,0|2,0,0]=4 10073 B17R2.5365 Fc1ccc(c(c1)NCc2ccccc2)I 34a_100011218093_100015291786 [0,2,0,0,0,0|2,0,0]=4 10074 B17R2.5365 Fc1ccc(c(c1)OCc2ccccc2)Br 34a_100000690578_100015291786 [0,2,0,0,0,0|1,1,0]=4 10075 B17R2.5365 Fc1ccc(c(c1)OCc2ccccc2)Br 7a_100000690578_100000211182 [0,2,0,0,0,0|1,1,0]=4 10076 B17R2.5365 Fc1ccc(c(c1)OCc2ccccc2)Cl 34a_100000692107_100015291786 [0,2,0,0,0,0|1,1,0]=4 10077 B17R2.5365 Fc1ccc(c(c1)OCc2ccccc2)Cl 7a_100000692107_100000211182 [0,2,0,0,0,0|1,1,0]=4 10078 B17R2.5365 Fc1ccc(c(c1)OCc2ccccc2)F 34a_100000752141_100015291786 [0,2,0,0,0,0|1,1,0]=4 10079 B17R2.5365 Fc1ccc(c(c1)OCc2ccccc2)F 7a_100000752141_100000211182 [0,2,0,0,0,0|1,1,0]=4 10080 B17R2.5365 Fc1ccc(c(c1)OCc2ccccc2)I 34a_100010084537_100015291786 [0,2,0,0,0,0|1,1,0]=4 10081 B17R2.5365 Fc1ccc(c(c1)OCc2ccccc2)I 7a_100010084537_100000211182 [0,2,0,0,0,0|1,1,0]=4 10082 B17R2.5365 Fc1ccc(c(c1)SCc2ccccc2)Br 62a_100000211182_100011217576 [0,2,0,0,0,0|1,0,0]=3 10083 B17R2.5365 Fc1ccc(c(c1)SCc2ccccc2)Br 62a_100011217576_100015291786 [0,2,0,0,0,0|1,0,0]=3 10084 B17R2.5365 Fc1ccc(c(c1)SCc2ccccc2)Cl 62a_100000211182_100011217299 [0,2,0,0,0,0|1,0,0]=3 10085 B17R2.5365 Fc1ccc(c(c1)SCc2ccccc2)Cl 62a_100011217299_100015291786 [0,2,0,0,0,0|1,0,0]=3 10086 B17R2.5365 Fc1ccc(c(c1)SCc2ccccc2)F 62a_100000211182_100011219198 [0,2,0,0,0,0|1,0,0]=3 10087 B17R2.5365 Fc1ccc(c(c1)SCc2ccccc2)F 62a_100011219198_100015291786 [0,2,0,0,0,0|1,0,0]=3 10088 B17R2.5365 Fc1ccc(c(c1)SCc2ccccn2)Br 62a_100000721315_100011217576 [0,2,0,0,0,0|2,0,0]=4 10089 B17R2.5365 Fc1ccc(c(c1)SCc2ccccn2)Br 62a_100011217576_100000721315 [0,2,0,0,0,0|2,0,0]=4 10090 B17R2.5365 Fc1ccc(c(c1)SCc2ccccn2)Cl 62a_100000721315_100011217299 [0,2,0,0,0,0|2,0,0]=4 10091 B17R2.5365 Fc1ccc(c(c1)SCc2ccccn2)Cl 62a_100011217299_100000721315 [0,2,0,0,0,0|2,0,0]=4 10092 B17R2.5365 Fc1ccc(c(c1)SCc2ccccn2)F 62a_100000721315_100011219198 [0,2,0,0,0,0|2,0,0]=4 10093 B17R2.5365 Fc1ccc(c(c1)SCc2ccccn2)F 62a_100011219198_100000721315 [0,2,0,0,0,0|2,0,0]=4 10094 B17R2.5365 Fc1ccc(c(c1)SCc2cccnc2)Br 62a_100000741622_100011217576 [0,2,0,0,0,0|2,0,0]=4 10095 B17R2.5365 Fc1ccc(c(c1)SCc2cccnc2)Br 62a_100011217576_100000741622 [0,2,0,0,0,0|2,0,0]=4 10096 B17R2.5365 Fc1ccc(c(c1)SCc2cccnc2)Cl 62a_100000741622_100011217299 [0,2,0,0,0,0|2,0,0]=4 10097 B17R2.5365 Fc1ccc(c(c1)SCc2cccnc2)Cl 62a_100011217299_100000741622 [0,2,0,0,0,0|2,0,0]=4 10098 B17R2.5365 Fc1ccc(c(c1)SCc2cccnc2)F 62a_100000741622_100011219198 [0,2,0,0,0,0|2,0,0]=4 10099 B17R2.5365 Fc1ccc(c(c1)SCc2cccnc2)F 62a_100011219198_100000741622 [0,2,0,0,0,0|2,0,0]=4 10100 B17R2.5365 Fc1ccc(c(c1)SCc2ccncc2)Br 62a_100011217576_100015193705 [0,2,0,0,0,0|2,0,0]=4 10101 B17R2.5365 Fc1ccc(c(c1)SCc2ccncc2)Br 62a_100015193705_100011217576 [0,2,0,0,0,0|2,0,0]=4 10102 B17R2.5365 Fc1ccc(c(c1)SCc2ccncc2)Cl 62a_100011217299_100015193705 [0,2,0,0,0,0|2,0,0]=4 10103 B17R2.5365 Fc1ccc(c(c1)SCc2ccncc2)Cl 62a_100015193705_100011217299 [0,2,0,0,0,0|2,0,0]=4 10104 B17R2.5365 Fc1ccc(c(c1)SCc2ccncc2)F 62a_100011219198_100015193705 [0,2,0,0,0,0|2,0,0]=4 10105 B17R2.5365 Fc1ccc(c(c1)SCc2ccncc2)F 62a_100015193705_100011219198 [0,2,0,0,0,0|2,0,0]=4 10106 B17R2.5365 Fc1ccc(c(n1)SCc2ccccc2)F 62a_100000211182_100010997973 [0,2,0,0,0,0|2,0,0]=4 10107 B17R2.5365 Fc1ccc(c(n1)SCc2ccccc2)F 62a_100010997973_100015291786 [0,2,0,0,0,0|2,0,0]=4 10108 B17R2.5365 Fc1ccc(cc1C#Cc2ccccc2)Br 271570a_100000069678_100011217312 [0,2,0,0,0,0|2,0,0]=4 10109 B17R2.5365 Fc1ccc(cc1C#Cc2ccccc2)Cl 271570a_100000069678_100011218116 [0,2,0,0,0,0|2,0,0]=4 10110 B17R2.5365 Fc1ccc(cc1C=Cc2ccccc2)Br 271570a_100102527694_100011217312 [0,2,0,0,0,0|2,0,0]=4 10111 B17R2.5365 Fc1ccc(cc1C=Cc2ccccc2)Cl 271570a_100102527694_100011218116 [0,2,0,0,0,0|2,0,0]=4 10112 B17R2.5365 Fc1ccc(cc1CNc2ccccc2)Br 207a_100000106764_100000211465 [0,2,0,0,0,0|2,0,0]=4 10113 B17R2.5365 Fc1ccc(cc1CNc2ccccc2)Br 34a_100000106764_100000736399 [0,2,0,0,0,0|2,0,0]=4 10114 B17R2.5365 Fc1ccc(cc1CNc2ccccc2)Cl 207a_100000106764_100000745245 [0,2,0,0,0,0|2,0,0]=4 10115 B17R2.5365 Fc1ccc(cc1CNc2ccccc2)Cl 34a_100000106764_100000716957 [0,2,0,0,0,0|2,0,0]=4 10116 B17R2.5365 Fc1ccc(cc1CNc2ccccc2)I 207a_100000106764_100000050626 [0,2,0,0,0,0|2,0,0]=4 10117 B17R2.5365 Fc1ccc(cc1CNc2ccccc2)I 34a_100000106764_200010149601 [0,2,0,0,0,0|2,0,0]=4 10118 B17R2.5365 Fc1ccc(cc1COc2ccccc2)Br 34a_100000210340_100000736399 [0,2,0,0,0,0|1,1,0]=4 10119 B17R2.5365 Fc1ccc(cc1COc2ccccc2)Br 7a_100000210340_100000736399 [0,2,0,0,0,0|1,1,0]=4 10120 B17R2.5365 Fc1ccc(cc1COc2ccccc2)Cl 34a_100000210340_100000716957 [0,2,0,0,0,0|1,1,0]=4 10121 B17R2.5365 Fc1ccc(cc1COc2ccccc2)Cl 7a_100000210340_100000716957 [0,2,0,0,0,0|1,1,0]=4 10122 B17R2.5365 Fc1ccc(cc1COc2ccccc2)I 34a_100000210340_200010149601 [0,2,0,0,0,0|1,1,0]=4 10123 B17R2.5365 Fc1ccc(cc1COc2ccccc2)I 7a_100000210340_200010149601 [0,2,0,0,0,0|1,1,0]=4 10124 B17R2.5365 Fc1ccc(cc1CSc2ccccc2)Br 62a_100000719477_100000736399 [0,2,0,0,0,0|1,0,0]=3 10125 B17R2.5365 Fc1ccc(cc1CSc2ccccc2)Br 62a_100000736399_100000041952 [0,2,0,0,0,0|1,0,0]=3 10126 B17R2.5365 Fc1ccc(cc1CSc2ccccc2)Cl 62a_100000716957_100000041952 [0,2,0,0,0,0|1,0,0]=3 10127 B17R2.5365 Fc1ccc(cc1CSc2ccccc2)Cl 62a_100000719477_100000716957 [0,2,0,0,0,0|1,0,0]=3 10128 B17R2.5365 Fc1ccc(cc1CSc2ccccc2)I 62a_100000719477_200010149601 [0,2,0,0,0,0|1,0,0]=3 10129 B17R2.5365 Fc1ccc(cc1CSc2ccccc2)I 62a_200010149601_100000041952 [0,2,0,0,0,0|1,0,0]=3 10130 B17R2.5365 Fc1ccc(cc1CSc2ccccn2)Br 62a_100000736399_100011216584 [0,2,0,0,0,0|2,0,0]=4 10131 B17R2.5365 Fc1ccc(cc1CSc2ccccn2)Br 62a_100011216584_100000736399 [0,2,0,0,0,0|2,0,0]=4 10132 B17R2.5365 Fc1ccc(cc1CSc2ccccn2)Cl 62a_100000716957_100011216584 [0,2,0,0,0,0|2,0,0]=4 10133 B17R2.5365 Fc1ccc(cc1CSc2ccccn2)Cl 62a_100011216584_100000716957 [0,2,0,0,0,0|2,0,0]=4 10134 B17R2.5365 Fc1ccc(cc1CSc2ccccn2)I 62a_100011216584_200010149601 [0,2,0,0,0,0|2,0,0]=4 10135 B17R2.5365 Fc1ccc(cc1CSc2ccccn2)I 62a_200010149601_100011216584 [0,2,0,0,0,0|2,0,0]=4 10136 B17R2.5365 Fc1ccc(cc1CSc2cccnc2)Br 62a_100000210063_100000736399 [0,2,0,0,0,0|2,0,0]=4 10137 B17R2.5365 Fc1ccc(cc1CSc2cccnc2)Br 62a_100000736399_100000210063 [0,2,0,0,0,0|2,0,0]=4 10138 B17R2.5365 Fc1ccc(cc1CSc2cccnc2)Cl 62a_100000210063_100000716957 [0,2,0,0,0,0|2,0,0]=4 10139 B17R2.5365 Fc1ccc(cc1CSc2cccnc2)Cl 62a_100000716957_100000210063 [0,2,0,0,0,0|2,0,0]=4 10140 B17R2.5365 Fc1ccc(cc1CSc2cccnc2)I 62a_100000210063_200010149601 [0,2,0,0,0,0|2,0,0]=4 10141 B17R2.5365 Fc1ccc(cc1CSc2cccnc2)I 62a_200010149601_100000210063 [0,2,0,0,0,0|2,0,0]=4 10142 B17R2.5365 Fc1ccc(cc1CSc2ccncc2)Br 62a_100000728582_100000736399 [0,2,0,0,0,0|2,0,0]=4 10143 B17R2.5365 Fc1ccc(cc1CSc2ccncc2)Br 62a_100000736399_100000728582 [0,2,0,0,0,0|2,0,0]=4 10144 B17R2.5365 Fc1ccc(cc1CSc2ccncc2)Cl 62a_100000716957_100000728582 [0,2,0,0,0,0|2,0,0]=4 10145 B17R2.5365 Fc1ccc(cc1CSc2ccncc2)Cl 62a_100000728582_100000716957 [0,2,0,0,0,0|2,0,0]=4 10146 B17R2.5365 Fc1ccc(cc1CSc2ccncc2)I 62a_100000728582_200010149601 [0,2,0,0,0,0|2,0,0]=4 10147 B17R2.5365 Fc1ccc(cc1CSc2ccncc2)I 62a_200010149601_100000728582 [0,2,0,0,0,0|2,0,0]=4 10148 B17R2.5365 Fc1ccc(cc1NCc2ccccc2)Br 207a_100000740924_100015611070 [0,2,0,0,0,0|2,0,0]=4 10149 B17R2.5365 Fc1ccc(cc1NCc2ccccc2)Br 270302a_100000740924_100015611070 [0,2,0,0,0,0|2,0,0]=4 10150 B17R2.5365 Fc1ccc(cc1NCc2ccccc2)Br 34a_100000740924_100015291786 [0,2,0,0,0,0|2,0,0]=4 10151 B17R2.5365 Fc1ccc(cc1NCc2ccccc2)Cl 207a_100000212115_100015611070 [0,2,0,0,0,0|2,0,0]=4 10152 B17R2.5365 Fc1ccc(cc1NCc2ccccc2)Cl 270302a_100000212115_100015611070 [0,2,0,0,0,0|2,0,0]=4 10153 B17R2.5365 Fc1ccc(cc1NCc2ccccc2)Cl 34a_100000212115_100015291786 [0,2,0,0,0,0|2,0,0]=4 10154 B17R2.5365 Fc1ccc(cc1NCc2ccccc2)I 207a_100011464823_100015611070 [0,2,0,0,0,0|2,0,0]=4 10155 B17R2.5365 Fc1ccc(cc1NCc2ccccc2)I 270302a_100011464823_100015611070 [0,2,0,0,0,0|2,0,0]=4 10156 B17R2.5365 Fc1ccc(cc1NCc2ccccc2)I 34a_100011464823_100015291786 [0,2,0,0,0,0|2,0,0]=4 10157 B17R2.5365 Fc1ccc(cc1OCc2ccccc2)Br 34a_100000686035_100015291786 [0,2,0,0,0,0|1,1,0]=4 10158 B17R2.5365 Fc1ccc(cc1OCc2ccccc2)Br 7a_100000686035_100000211182 [0,2,0,0,0,0|1,1,0]=4 10159 B17R2.5365 Fc1ccc(cc1OCc2ccccc2)Cl 34a_100000757397_100015291786 [0,2,0,0,0,0|1,1,0]=4 10160 B17R2.5365 Fc1ccc(cc1OCc2ccccc2)Cl 7a_100000757397_100000211182 [0,2,0,0,0,0|1,1,0]=4 10161 B17R2.5365 Fc1ccc(cc1OCc2ccccc2)I 34a_100009958187_100015291786 [0,2,0,0,0,0|1,1,0]=4 10162 B17R2.5365 Fc1ccc(cc1OCc2ccccc2)I 7a_100009958187_100000211182 [0,2,0,0,0,0|1,1,0]=4 10163 B17R2.5365 Fc1ccc(cc1SCc2ccccc2)Br 62a_100000211182_100011217312 [0,2,0,0,0,0|1,0,0]=3 10164 B17R2.5365 Fc1ccc(cc1SCc2ccccc2)Br 62a_100011217312_100015291786 [0,2,0,0,0,0|1,0,0]=3 10165 B17R2.5365 Fc1ccc(cc1SCc2ccccc2)Cl 62a_100000211182_100011218116 [0,2,0,0,0,0|1,0,0]=3 10166 B17R2.5365 Fc1ccc(cc1SCc2ccccc2)Cl 62a_100011218116_100015291786 [0,2,0,0,0,0|1,0,0]=3 10167 B17R2.5365 Fc1ccc(cc1SCc2ccccn2)Br 62a_100000721315_100011217312 [0,2,0,0,0,0|2,0,0]=4 10168 B17R2.5365 Fc1ccc(cc1SCc2ccccn2)Br 62a_100011217312_100000721315 [0,2,0,0,0,0|2,0,0]=4 10169 B17R2.5365 Fc1ccc(cc1SCc2ccccn2)Cl 62a_100000721315_100011218116 [0,2,0,0,0,0|2,0,0]=4 10170 B17R2.5365 Fc1ccc(cc1SCc2ccccn2)Cl 62a_100011218116_100000721315 [0,2,0,0,0,0|2,0,0]=4 10171 B17R2.5365 Fc1ccc(cc1SCc2cccnc2)Br 62a_100000741622_100011217312 [0,2,0,0,0,0|2,0,0]=4 10172 B17R2.5365 Fc1ccc(cc1SCc2cccnc2)Br 62a_100011217312_100000741622 [0,2,0,0,0,0|2,0,0]=4 10173 B17R2.5365 Fc1ccc(cc1SCc2cccnc2)Cl 62a_100000741622_100011218116 [0,2,0,0,0,0|2,0,0]=4 10174 B17R2.5365 Fc1ccc(cc1SCc2cccnc2)Cl 62a_100011218116_100000741622 [0,2,0,0,0,0|2,0,0]=4 10175 B17R2.5365 Fc1ccc(cc1SCc2ccncc2)Br 62a_100011217312_100015193705 [0,2,0,0,0,0|2,0,0]=4 10176 B17R2.5365 Fc1ccc(cc1SCc2ccncc2)Br 62a_100015193705_100011217312 [0,2,0,0,0,0|2,0,0]=4 10177 B17R2.5365 Fc1ccc(cc1SCc2ccncc2)Cl 62a_100011218116_100015193705 [0,2,0,0,0,0|2,0,0]=4 10178 B17R2.5365 Fc1ccc(cc1SCc2ccncc2)Cl 62a_100015193705_100011218116 [0,2,0,0,0,0|2,0,0]=4 10179 B17R2.5365 Fc1ccc(nc1CSc2ccccc2)Br 62a_100000719477_100010065826 [0,2,0,0,0,0|2,0,0]=4 10180 B17R2.5365 Fc1ccc(nc1CSc2ccccc2)Br 62a_100010065826_100000041952 [0,2,0,0,0,0|2,0,0]=4 10181 B17R2.5365 Fc1ccc(nc1CSc2ccccc2)Cl 62a_100000719477_100009881012 [0,2,0,0,0,0|2,0,0]=4 10182 B17R2.5365 Fc1ccc(nc1CSc2ccccc2)Cl 62a_100009881012_100000041952 [0,2,0,0,0,0|2,0,0]=4 10183 B17R2.5365 Fc1ccc(nc1SCc2ccccc2)Cl 62a_100000211182_100010136221 [0,2,0,0,0,0|2,0,0]=4 10184 B17R2.5365 Fc1ccc(nc1SCc2ccccc2)Cl 62a_100010136221_100015291786 [0,2,0,0,0,0|2,0,0]=4 10185 B17R2.5365 Fc1cnc(c(c1)SCc2ccccc2)F 62a_100000211182_100009820768 [0,2,0,0,0,0|2,0,0]=4 10186 B17R2.5365 Fc1cnc(c(c1)SCc2ccccc2)F 62a_100009820768_100015291786 [0,2,0,0,0,0|2,0,0]=4 10187 B17R2.5365 Fc1cnc(cc1SCc2ccccc2)Br 62a_100000211182_100010193852 [0,2,0,0,0,0|2,0,0]=4 10188 B17R2.5365 Fc1cnc(cc1SCc2ccccc2)Br 62a_100010193852_100015291786 [0,2,0,0,0,0|2,0,0]=4 10189 B17R2.5365 Fc1cnc(cc1SCc2ccccc2)Cl 62a_100000211182_100000708277 [0,2,0,0,0,0|2,0,0]=4 10190 B17R2.5365 Fc1cnc(cc1SCc2ccccc2)Cl 62a_100000708277_100015291786 [0,2,0,0,0,0|2,0,0]=4 10191 B17R2.5365 Fc1ncc(cc1SCc2ccccc2)Br 62a_100000211182_100010172738 [0,2,0,0,0,0|2,0,0]=4 10192 B17R2.5365 Fc1ncc(cc1SCc2ccccc2)Br 62a_100010172738_100015291786 [0,2,0,0,0,0|2,0,0]=4 10193 B17R2.5365 Fc1ncc(cc1SCc2ccccc2)Cl 62a_100000211182_100010188783 [0,2,0,0,0,0|2,0,0]=4 10194 B17R2.5365 Fc1ncc(cc1SCc2ccccc2)Cl 62a_100010188783_100015291786 [0,2,0,0,0,0|2,0,0]=4 10195 B17R2.5365 Nc1cc(c(cn1)Cl)SCc2ccccc2 62a_100000211182_100010134119 [0,2,0,0,0,0|2,0,0]=4 10196 B17R2.5365 Nc1cc(c(cn1)Cl)SCc2ccccc2 62a_100010134119_100015291786 [0,2,0,0,0,0|2,0,0]=4 10197 B17R2.5365 Nc1cc(c(cn1)F)SCc2ccccc2 62a_100000211182_100015713587 [0,2,0,0,0,0|2,0,0]=4 10198 B17R2.5365 Nc1cc(c(cn1)F)SCc2ccccc2 62a_100015713587_100015291786 [0,2,0,0,0,0|2,0,0]=4 10199 B17R2.5365 Nc1ccc(c(c1)C#Cc2ccccc2)Br 271570a_100000069678_100000750459 [0,2,0,0,0,0|2,0,0]=4 10200 B17R2.5365 Nc1ccc(c(c1)C#Cc2ccccc2)Cl 271570a_100000069678_100012360549 [0,2,0,0,0,0|2,0,0]=4 10201 B17R2.5365 Nc1ccc(c(c1)C#Cc2ccccc2)F 271570a_100000069678_100000760356 [0,2,0,0,0,0|2,0,0]=4 10202 B17R2.5365 Nc1ccc(c(c1)C#Cc2ccccc2)N 271570a_100000069678_100011534242 [0,2,0,0,0,0|2,0,0]=4 10203 B17R2.5365 Nc1ccc(c(c1)C#Cc2ccccc2)O 271570a_100000069678_100011534360 [0,2,0,0,0,0|2,0,0]=4 10204 B17R2.5365 Nc1ccc(c(c1)C=Cc2ccccc2)Br 271570a_100102527694_100000750459 [0,2,0,0,0,0|2,0,0]=4 10205 B17R2.5365 Nc1ccc(c(c1)C=Cc2ccccc2)Cl 271570a_100102527694_100012360549 [0,2,0,0,0,0|2,0,0]=4 10206 B17R2.5365 Nc1ccc(c(c1)C=Cc2ccccc2)F 271570a_100102527694_100000760356 [0,2,0,0,0,0|2,0,0]=4 10207 B17R2.5365 Nc1ccc(c(c1)C=Cc2ccccc2)N 271570a_100102527694_100011534242 [0,2,0,0,0,0|2,0,0]=4 10208 B17R2.5365 Nc1ccc(c(c1)C=Cc2ccccc2)O 271570a_100102527694_100011534360 [0,2,0,0,0,0|2,0,0]=4 10209 B17R2.5365 Nc1ccc(c(c1)OCc2ccccc2)Cl 34a_100011934209_100015291786 [0,2,0,0,0,0|1,1,0]=4 10210 B17R2.5365 Nc1ccc(c(c1)OCc2ccccc2)F 34a_100012017398_100015291786 [0,2,0,0,0,0|1,1,0]=4 10211 B17R2.5365 Nc1ccc(c(c1)OCc2ccccc2)F 7a_100012017398_100000211182 [0,2,0,0,0,0|1,1,0]=4 10212 B17R2.5365 Nc1ccc(c(c1)OCc2ccccc2)N 34a_100025717382_100015291786 [0,2,0,0,0,0|1,1,0]=4 10213 B17R2.5365 Nc1ccc(c(c1)SCc2ccccc2)Br 62a_100000211182_100000750459 [0,2,0,0,0,0|1,0,0]=3 10214 B17R2.5365 Nc1ccc(c(c1)SCc2ccccc2)Br 62a_100000750459_100015291786 [0,2,0,0,0,0|1,0,0]=3 10215 B17R2.5365 Nc1ccc(c(c1)SCc2ccccc2)Cl 62a_100000211182_100012360549 [0,2,0,0,0,0|1,0,0]=3 10216 B17R2.5365 Nc1ccc(c(c1)SCc2ccccc2)Cl 62a_100012360549_100015291786 [0,2,0,0,0,0|1,0,0]=3 10217 B17R2.5365 Nc1ccc(c(c1)SCc2ccccc2)F 62a_100000211182_100000760356 [0,2,0,0,0,0|1,0,0]=3 10218 B17R2.5365 Nc1ccc(c(c1)SCc2ccccc2)F 62a_100000760356_100015291786 [0,2,0,0,0,0|1,0,0]=3 10219 B17R2.5365 Nc1ccc(c(c1)SCc2ccccc2)N 62a_100000211182_100011534242 [0,2,0,0,0,0|1,0,0]=3 10220 B17R2.5365 Nc1ccc(c(c1)SCc2ccccc2)N 62a_100011534242_100015291786 [0,2,0,0,0,0|1,0,0]=3 10221 B17R2.5365 Nc1ccc(c(c1)SCc2ccccc2)O 62a_100000211182_100011534360 [0,2,0,0,0,0|1,0,0]=3 10222 B17R2.5365 Nc1ccc(c(c1)SCc2ccccc2)O 62a_100011534360_100015291786 [0,2,0,0,0,0|1,0,0]=3 10223 B17R2.5365 Nc1ccc(c(c1)SCc2ccccn2)Br 62a_100000721315_100000750459 [0,2,0,0,0,0|2,0,0]=4 10224 B17R2.5365 Nc1ccc(c(c1)SCc2ccccn2)Br 62a_100000750459_100000721315 [0,2,0,0,0,0|2,0,0]=4 10225 B17R2.5365 Nc1ccc(c(c1)SCc2ccccn2)Cl 62a_100000721315_100012360549 [0,2,0,0,0,0|2,0,0]=4 10226 B17R2.5365 Nc1ccc(c(c1)SCc2ccccn2)Cl 62a_100012360549_100000721315 [0,2,0,0,0,0|2,0,0]=4 10227 B17R2.5365 Nc1ccc(c(c1)SCc2ccccn2)F 62a_100000721315_100000760356 [0,2,0,0,0,0|2,0,0]=4 10228 B17R2.5365 Nc1ccc(c(c1)SCc2ccccn2)F 62a_100000760356_100000721315 [0,2,0,0,0,0|2,0,0]=4 10229 B17R2.5365 Nc1ccc(c(c1)SCc2ccccn2)N 62a_100000721315_100011534242 [0,2,0,0,0,0|2,0,0]=4 10230 B17R2.5365 Nc1ccc(c(c1)SCc2ccccn2)N 62a_100011534242_100000721315 [0,2,0,0,0,0|2,0,0]=4 10231 B17R2.5365 Nc1ccc(c(c1)SCc2ccccn2)O 62a_100000721315_100011534360 [0,2,0,0,0,0|2,0,0]=4 10232 B17R2.5365 Nc1ccc(c(c1)SCc2ccccn2)O 62a_100011534360_100000721315 [0,2,0,0,0,0|2,0,0]=4 10233 B17R2.5365 Nc1ccc(c(c1)SCc2cccnc2)Br 62a_100000741622_100000750459 [0,2,0,0,0,0|2,0,0]=4 10234 B17R2.5365 Nc1ccc(c(c1)SCc2cccnc2)Br 62a_100000750459_100000741622 [0,2,0,0,0,0|2,0,0]=4 10235 B17R2.5365 Nc1ccc(c(c1)SCc2cccnc2)Cl 62a_100000741622_100012360549 [0,2,0,0,0,0|2,0,0]=4 10236 B17R2.5365 Nc1ccc(c(c1)SCc2cccnc2)Cl 62a_100012360549_100000741622 [0,2,0,0,0,0|2,0,0]=4 10237 B17R2.5365 Nc1ccc(c(c1)SCc2cccnc2)F 62a_100000741622_100000760356 [0,2,0,0,0,0|2,0,0]=4 10238 B17R2.5365 Nc1ccc(c(c1)SCc2cccnc2)F 62a_100000760356_100000741622 [0,2,0,0,0,0|2,0,0]=4 10239 B17R2.5365 Nc1ccc(c(c1)SCc2cccnc2)N 62a_100000741622_100011534242 [0,2,0,0,0,0|2,0,0]=4 10240 B17R2.5365 Nc1ccc(c(c1)SCc2cccnc2)N 62a_100011534242_100000741622 [0,2,0,0,0,0|2,0,0]=4 10241 B17R2.5365 Nc1ccc(c(c1)SCc2cccnc2)O 62a_100000741622_100011534360 [0,2,0,0,0,0|2,0,0]=4 10242 B17R2.5365 Nc1ccc(c(c1)SCc2cccnc2)O 62a_100011534360_100000741622 [0,2,0,0,0,0|2,0,0]=4 10243 B17R2.5365 Nc1ccc(c(c1)SCc2ccncc2)Br 62a_100000750459_100015193705 [0,2,0,0,0,0|2,0,0]=4 10244 B17R2.5365 Nc1ccc(c(c1)SCc2ccncc2)Br 62a_100015193705_100000750459 [0,2,0,0,0,0|2,0,0]=4 10245 B17R2.5365 Nc1ccc(c(c1)SCc2ccncc2)Cl 62a_100012360549_100015193705 [0,2,0,0,0,0|2,0,0]=4 10246 B17R2.5365 Nc1ccc(c(c1)SCc2ccncc2)Cl 62a_100015193705_100012360549 [0,2,0,0,0,0|2,0,0]=4 10247 B17R2.5365 Nc1ccc(c(c1)SCc2ccncc2)F 62a_100000760356_100015193705 [0,2,0,0,0,0|2,0,0]=4 10248 B17R2.5365 Nc1ccc(c(c1)SCc2ccncc2)F 62a_100015193705_100000760356 [0,2,0,0,0,0|2,0,0]=4 10249 B17R2.5365 Nc1ccc(c(c1)SCc2ccncc2)N 62a_100011534242_100015193705 [0,2,0,0,0,0|2,0,0]=4 10250 B17R2.5365 Nc1ccc(c(c1)SCc2ccncc2)N 62a_100015193705_100011534242 [0,2,0,0,0,0|2,0,0]=4 10251 B17R2.5365 Nc1ccc(c(c1)SCc2ccncc2)O 62a_100011534360_100015193705 [0,2,0,0,0,0|2,0,0]=4 10252 B17R2.5365 Nc1ccc(c(c1)SCc2ccncc2)O 62a_100015193705_100011534360 [0,2,0,0,0,0|2,0,0]=4 10253 B17R2.5365 Nc1ccc(c(n1)SCc2ccccc2)Br 62a_100000211182_100010192275 [0,2,0,0,0,0|2,0,0]=4 10254 B17R2.5365 Nc1ccc(c(n1)SCc2ccccc2)Br 62a_100010192275_100015291786 [0,2,0,0,0,0|2,0,0]=4 10255 B17R2.5365 Nc1ccc(c(n1)SCc2ccccc2)F 62a_100000211182_100010892222 [0,2,0,0,0,0|2,0,0]=4 10256 B17R2.5365 Nc1ccc(c(n1)SCc2ccccc2)F 62a_100010892222_100015291786 [0,2,0,0,0,0|2,0,0]=4 10257 B17R2.5365 Nc1ccc(c(n1)SCc2ccccc2)N 62a_100000211182_200009884323 [0,2,0,0,0,0|2,0,0]=4 10258 B17R2.5365 Nc1ccc(c(n1)SCc2ccccc2)N 62a_200009884323_100015291786 [0,2,0,0,0,0|2,0,0]=4 10259 B17R2.5365 Nc1ccc(cc1C#Cc2ccccc2)Br 271570a_100000069678_100000187925 [0,2,0,0,0,0|2,0,0]=4 10260 B17R2.5365 Nc1ccc(cc1C#Cc2ccccc2)Cl 271570a_100000069678_100000761889 [0,2,0,0,0,0|2,0,0]=4 10261 B17R2.5365 Nc1ccc(cc1C#Cc2ccccc2)F 271570a_100000069678_100000760547 [0,2,0,0,0,0|2,0,0]=4 10262 B17R2.5365 Nc1ccc(cc1C#Cc2ccccc2)O 271570a_100000069678_100012001276 [0,2,0,0,0,0|2,0,0]=4 10263 B17R2.5365 Nc1ccc(cc1C=Cc2ccccc2)Br 271570a_100102527694_100000187925 [0,2,0,0,0,0|2,0,0]=4 10264 B17R2.5365 Nc1ccc(cc1C=Cc2ccccc2)Cl 271570a_100102527694_100000761889 [0,2,0,0,0,0|2,0,0]=4 10265 B17R2.5365 Nc1ccc(cc1C=Cc2ccccc2)F 271570a_100102527694_100000760547 [0,2,0,0,0,0|2,0,0]=4 10266 B17R2.5365 Nc1ccc(cc1C=Cc2ccccc2)O 271570a_100102527694_100012001276 [0,2,0,0,0,0|2,0,0]=4 10267 B17R2.5365 Nc1ccc(cc1OCc2ccccc2)Br 34a_100000739049_100015291786 [0,2,0,0,0,0|1,1,0]=4 10268 B17R2.5365 Nc1ccc(cc1OCc2ccccc2)Br 7a_100000739049_100000211182 [0,2,0,0,0,0|1,1,0]=4 10269 B17R2.5365 Nc1ccc(cc1OCc2ccccc2)Cl 34a_100000185728_100015291786 [0,2,0,0,0,0|1,1,0]=4 10270 B17R2.5365 Nc1ccc(cc1OCc2ccccc2)Cl 7a_100000185728_100000211182 [0,2,0,0,0,0|1,1,0]=4 10271 B17R2.5365 Nc1ccc(cc1OCc2ccccc2)F 34a_100000753323_100015291786 [0,2,0,0,0,0|1,1,0]=4 10272 B17R2.5365 Nc1ccc(cc1OCc2ccccc2)F 7a_100000753323_100000211182 [0,2,0,0,0,0|1,1,0]=4 10273 B17R2.5365 Nc1ccc(cc1OCc2ccccc2)I 34a_100000057187_100015291786 [0,2,0,0,0,0|1,1,0]=4 10274 B17R2.5365 Nc1ccc(cc1OCc2ccccc2)I 7a_100000057187_100000211182 [0,2,0,0,0,0|1,1,0]=4 10275 B17R2.5365 Nc1ccc(cc1SCc2ccccc2)Br 62a_100000187925_100015291786 [0,2,0,0,0,0|1,0,0]=3 10276 B17R2.5365 Nc1ccc(cc1SCc2ccccc2)Br 62a_100000211182_100000187925 [0,2,0,0,0,0|1,0,0]=3 10277 B17R2.5365 Nc1ccc(cc1SCc2ccccc2)Cl 62a_100000211182_100000761889 [0,2,0,0,0,0|1,0,0]=3 10278 B17R2.5365 Nc1ccc(cc1SCc2ccccc2)Cl 62a_100000761889_100015291786 [0,2,0,0,0,0|1,0,0]=3 10279 B17R2.5365 Nc1ccc(cc1SCc2ccccc2)F 62a_100000211182_100000760547 [0,2,0,0,0,0|1,0,0]=3 10280 B17R2.5365 Nc1ccc(cc1SCc2ccccc2)F 62a_100000760547_100015291786 [0,2,0,0,0,0|1,0,0]=3 10281 B17R2.5365 Nc1ccc(cc1SCc2ccccc2)O 62a_100000211182_100012001276 [0,2,0,0,0,0|1,0,0]=3 10282 B17R2.5365 Nc1ccc(cc1SCc2ccccc2)O 62a_100012001276_100015291786 [0,2,0,0,0,0|1,0,0]=3 10283 B17R2.5365 Nc1ccc(cc1SCc2ccccn2)Br 62a_100000187925_100000721315 [0,2,0,0,0,0|2,0,0]=4 10284 B17R2.5365 Nc1ccc(cc1SCc2ccccn2)Br 62a_100000721315_100000187925 [0,2,0,0,0,0|2,0,0]=4 10285 B17R2.5365 Nc1ccc(cc1SCc2ccccn2)Cl 62a_100000721315_100000761889 [0,2,0,0,0,0|2,0,0]=4 10286 B17R2.5365 Nc1ccc(cc1SCc2ccccn2)Cl 62a_100000761889_100000721315 [0,2,0,0,0,0|2,0,0]=4 10287 B17R2.5365 Nc1ccc(cc1SCc2ccccn2)F 62a_100000721315_100000760547 [0,2,0,0,0,0|2,0,0]=4 10288 B17R2.5365 Nc1ccc(cc1SCc2ccccn2)F 62a_100000760547_100000721315 [0,2,0,0,0,0|2,0,0]=4 10289 B17R2.5365 Nc1ccc(cc1SCc2ccccn2)O 62a_100000721315_100012001276 [0,2,0,0,0,0|2,0,0]=4 10290 B17R2.5365 Nc1ccc(cc1SCc2ccccn2)O 62a_100012001276_100000721315 [0,2,0,0,0,0|2,0,0]=4 10291 B17R2.5365 Nc1ccc(cc1SCc2cccnc2)Br 62a_100000187925_100000741622 [0,2,0,0,0,0|2,0,0]=4 10292 B17R2.5365 Nc1ccc(cc1SCc2cccnc2)Br 62a_100000741622_100000187925 [0,2,0,0,0,0|2,0,0]=4 10293 B17R2.5365 Nc1ccc(cc1SCc2cccnc2)Cl 62a_100000741622_100000761889 [0,2,0,0,0,0|2,0,0]=4 10294 B17R2.5365 Nc1ccc(cc1SCc2cccnc2)Cl 62a_100000761889_100000741622 [0,2,0,0,0,0|2,0,0]=4 10295 B17R2.5365 Nc1ccc(cc1SCc2cccnc2)F 62a_100000741622_100000760547 [0,2,0,0,0,0|2,0,0]=4 10296 B17R2.5365 Nc1ccc(cc1SCc2cccnc2)F 62a_100000760547_100000741622 [0,2,0,0,0,0|2,0,0]=4 10297 B17R2.5365 Nc1ccc(cc1SCc2cccnc2)O 62a_100000741622_100012001276 [0,2,0,0,0,0|2,0,0]=4 10298 B17R2.5365 Nc1ccc(cc1SCc2cccnc2)O 62a_100012001276_100000741622 [0,2,0,0,0,0|2,0,0]=4 10299 B17R2.5365 Nc1ccc(cc1SCc2ccncc2)Br 62a_100000187925_100015193705 [0,2,0,0,0,0|2,0,0]=4 10300 B17R2.5365 Nc1ccc(cc1SCc2ccncc2)Br 62a_100015193705_100000187925 [0,2,0,0,0,0|2,0,0]=4 10301 B17R2.5365 Nc1ccc(cc1SCc2ccncc2)Cl 62a_100000761889_100015193705 [0,2,0,0,0,0|2,0,0]=4 10302 B17R2.5365 Nc1ccc(cc1SCc2ccncc2)Cl 62a_100015193705_100000761889 [0,2,0,0,0,0|2,0,0]=4 10303 B17R2.5365 Nc1ccc(cc1SCc2ccncc2)F 62a_100000760547_100015193705 [0,2,0,0,0,0|2,0,0]=4 10304 B17R2.5365 Nc1ccc(cc1SCc2ccncc2)F 62a_100015193705_100000760547 [0,2,0,0,0,0|2,0,0]=4 10305 B17R2.5365 Nc1ccc(cc1SCc2ccncc2)O 62a_100012001276_100015193705 [0,2,0,0,0,0|2,0,0]=4 10306 B17R2.5365 Nc1ccc(cc1SCc2ccncc2)O 62a_100015193705_100012001276 [0,2,0,0,0,0|2,0,0]=4 10307 B17R2.5365 Nc1ccc(nc1SCc2ccccc2)Br 62a_100000211182_100010168765 [0,2,0,0,0,0|2,0,0]=4 10308 B17R2.5365 Nc1ccc(nc1SCc2ccccc2)Br 62a_100010168765_100015291786 [0,2,0,0,0,0|2,0,0]=4 10309 B17R2.5365 Nc1ccc(nc1SCc2ccccc2)Cl 62a_100000211182_100010233647 [0,2,0,0,0,0|2,0,0]=4 10310 B17R2.5365 Nc1ccc(nc1SCc2ccccc2)Cl 62a_100010233647_100015291786 [0,2,0,0,0,0|2,0,0]=4 10311 B17R2.5365 Nc1ccc(nc1SCc2ccccc2)F 62a_100000211182_100009879877 [0,2,0,0,0,0|2,0,0]=4 10312 B17R2.5365 Nc1ccc(nc1SCc2ccccc2)F 62a_100009879877_100015291786 [0,2,0,0,0,0|2,0,0]=4 10313 B17R2.5365 Nc1cnc(c(c1)SCc2ccccc2)Br 62a_100000211182_100010201102 [0,2,0,0,0,0|2,0,0]=4 10314 B17R2.5365 Nc1cnc(c(c1)SCc2ccccc2)Br 62a_100010201102_100015291786 [0,2,0,0,0,0|2,0,0]=4 10315 B17R2.5365 Nc1cnc(c(c1)SCc2ccccc2)Cl 62a_100000211182_100010253917 [0,2,0,0,0,0|2,0,0]=4 10316 B17R2.5365 Nc1cnc(c(c1)SCc2ccccc2)Cl 62a_100010253917_100015291786 [0,2,0,0,0,0|2,0,0]=4 10317 B17R2.5365 Nc1cnc(c(c1)SCc2ccccc2)F 62a_100000211182_100009840397 [0,2,0,0,0,0|2,0,0]=4 10318 B17R2.5365 Nc1cnc(c(c1)SCc2ccccc2)F 62a_100009840397_100015291786 [0,2,0,0,0,0|2,0,0]=4 10319 B17R2.5365 Nc1cnc(c(c1)SCc2ccccc2)N 62a_100000211182_200011934315 [0,2,0,0,0,0|2,0,0]=4 10320 B17R2.5365 Nc1cnc(c(c1)SCc2ccccc2)N 62a_200011934315_100015291786 [0,2,0,0,0,0|2,0,0]=4 10321 B17R2.5365 Nc1cnc(cc1SCc2ccccc2)Cl 62a_100000050123_100015291786 [0,2,0,0,0,0|2,0,0]=4 10322 B17R2.5365 Nc1cnc(cc1SCc2ccccc2)Cl 62a_100000211182_100000050123 [0,2,0,0,0,0|2,0,0]=4 10323 B17R2.5365 Nc1ncc(cc1SCc2ccccc2)Br 62a_100000211182_100000760472 [0,2,0,0,0,0|2,0,0]=4 10324 B17R2.5365 Nc1ncc(cc1SCc2ccccc2)Br 62a_100000760472_100015291786 [0,2,0,0,0,0|2,0,0]=4 10325 B17R2.5365 Nc1ncc(cc1SCc2ccccc2)Cl 62a_100000050159_100015291786 [0,2,0,0,0,0|2,0,0]=4 10326 B17R2.5365 Nc1ncc(cc1SCc2ccccc2)Cl 62a_100000211182_100000050159 [0,2,0,0,0,0|2,0,0]=4 10327 B17R2.5365 Nc1ncc(cc1SCc2ccccc2)F 62a_100000211182_100009814671 [0,2,0,0,0,0|2,0,0]=4 10328 B17R2.5365 Nc1ncc(cc1SCc2ccccc2)F 62a_100009814671_100015291786 [0,2,0,0,0,0|2,0,0]=4 10329 B17R2.5365 O=c1[nH]cc(cc1SCc2ccccc2)F 62a_100000211182_100009817720 [0,2,0,0,0,0|2,0,0]=4 10330 B17R2.5365 O=c1[nH]cc(cc1SCc2ccccc2)F 62a_100009817720_100015291786 [0,2,0,0,0,0|2,0,0]=4 10331 B17R2.5365 O=c1cc(c(c[nH]1)F)SCc2ccccc2 62a_100000211182_100009817642 [0,2,0,0,0,0|2,0,0]=4 10332 B17R2.5365 O=c1cc(c(c[nH]1)F)SCc2ccccc2 62a_100009817642_100015291786 [0,2,0,0,0,0|2,0,0]=4 10333 B17R2.5365 Oc1ccc(c(c1)C#Cc2ccccc2)Br 271570a_100000069678_100012339312 [0,2,0,0,0,0|2,0,0]=4 10334 B17R2.5365 Oc1ccc(c(c1)C#Cc2ccccc2)Cl 271570a_100000069678_100000049588 [0,2,0,0,0,0|2,0,0]=4 10335 B17R2.5365 Oc1ccc(c(c1)C#Cc2ccccc2)F 271570a_100000069678_100000693481 [0,2,0,0,0,0|2,0,0]=4 10336 B17R2.5365 Oc1ccc(c(c1)C#Cc2ccccc2)O 271570a_100000069678_100009813629 [0,2,0,0,0,0|2,0,0]=4 10337 B17R2.5365 Oc1ccc(c(c1)C=Cc2ccccc2)Br 271570a_100102527694_100012339312 [0,2,0,0,0,0|2,0,0]=4 10338 B17R2.5365 Oc1ccc(c(c1)C=Cc2ccccc2)Cl 271570a_100102527694_100000049588 [0,2,0,0,0,0|2,0,0]=4 10339 B17R2.5365 Oc1ccc(c(c1)C=Cc2ccccc2)F 271570a_100102527694_100000693481 [0,2,0,0,0,0|2,0,0]=4 10340 B17R2.5365 Oc1ccc(c(c1)C=Cc2ccccc2)O 271570a_100102527694_100009813629 [0,2,0,0,0,0|2,0,0]=4 10341 B17R2.5365 Oc1ccc(c(c1)NCc2ccccc2)Br 34a_100011999798_100015291786 [0,2,0,0,0,0|2,0,0]=4 10342 B17R2.5365 Oc1ccc(c(c1)NCc2ccccc2)Cl 34a_100011934297_100015291786 [0,2,0,0,0,0|2,0,0]=4 10343 B17R2.5365 Oc1ccc(c(c1)NCc2ccccc2)F 270302a_100012017239_100015611070 [0,2,0,0,0,0|2,0,0]=4 10344 B17R2.5365 Oc1ccc(c(c1)NCc2ccccc2)F 34a_100012017239_100015291786 [0,2,0,0,0,0|2,0,0]=4 10345 B17R2.5365 Oc1ccc(c(c1)OCc2ccccc2)F 271570a_203496583355_100012360525 [0,2,0,0,0,0|1,1,0]=4 10346 B17R2.5365 Oc1ccc(c(c1)OCc2ccccc2)O 271570a_203496583355_100010157380 [0,2,0,0,0,0|1,1,0]=4 10347 B17R2.5365 Oc1ccc(c(c1)SCc2ccccc2)Br 62a_100000211182_100012339312 [0,2,0,0,0,0|1,0,0]=3 10348 B17R2.5365 Oc1ccc(c(c1)SCc2ccccc2)Br 62a_100012339312_100015291786 [0,2,0,0,0,0|1,0,0]=3 10349 B17R2.5365 Oc1ccc(c(c1)SCc2ccccc2)Cl 62a_100000049588_100015291786 [0,2,0,0,0,0|1,0,0]=3 10350 B17R2.5365 Oc1ccc(c(c1)SCc2ccccc2)Cl 62a_100000211182_100000049588 [0,2,0,0,0,0|1,0,0]=3 10351 B17R2.5365 Oc1ccc(c(c1)SCc2ccccc2)F 62a_100000211182_100000693481 [0,2,0,0,0,0|1,0,0]=3 10352 B17R2.5365 Oc1ccc(c(c1)SCc2ccccc2)F 62a_100000693481_100015291786 [0,2,0,0,0,0|1,0,0]=3 10353 B17R2.5365 Oc1ccc(c(c1)SCc2ccccc2)O 62a_100000211182_100009813629 [0,2,0,0,0,0|1,0,0]=3 10354 B17R2.5365 Oc1ccc(c(c1)SCc2ccccn2)Br 62a_100000721315_100012339312 [0,2,0,0,0,0|2,0,0]=4 10355 B17R2.5365 Oc1ccc(c(c1)SCc2ccccn2)Br 62a_100012339312_100000721315 [0,2,0,0,0,0|2,0,0]=4 10356 B17R2.5365 Oc1ccc(c(c1)SCc2ccccn2)Cl 62a_100000049588_100000721315 [0,2,0,0,0,0|2,0,0]=4 10357 B17R2.5365 Oc1ccc(c(c1)SCc2ccccn2)Cl 62a_100000721315_100000049588 [0,2,0,0,0,0|2,0,0]=4 10358 B17R2.5365 Oc1ccc(c(c1)SCc2ccccn2)F 62a_100000693481_100000721315 [0,2,0,0,0,0|2,0,0]=4 10359 B17R2.5365 Oc1ccc(c(c1)SCc2ccccn2)F 62a_100000721315_100000693481 [0,2,0,0,0,0|2,0,0]=4 10360 B17R2.5365 Oc1ccc(c(c1)SCc2ccccn2)O 62a_100000721315_100009813629 [0,2,0,0,0,0|2,0,0]=4 10361 B17R2.5365 Oc1ccc(c(c1)SCc2cccnc2)Br 62a_100000741622_100012339312 [0,2,0,0,0,0|2,0,0]=4 10362 B17R2.5365 Oc1ccc(c(c1)SCc2cccnc2)Br 62a_100012339312_100000741622 [0,2,0,0,0,0|2,0,0]=4 10363 B17R2.5365 Oc1ccc(c(c1)SCc2cccnc2)Cl 62a_100000049588_100000741622 [0,2,0,0,0,0|2,0,0]=4 10364 B17R2.5365 Oc1ccc(c(c1)SCc2cccnc2)Cl 62a_100000741622_100000049588 [0,2,0,0,0,0|2,0,0]=4 10365 B17R2.5365 Oc1ccc(c(c1)SCc2cccnc2)F 62a_100000693481_100000741622 [0,2,0,0,0,0|2,0,0]=4 10366 B17R2.5365 Oc1ccc(c(c1)SCc2cccnc2)F 62a_100000741622_100000693481 [0,2,0,0,0,0|2,0,0]=4 10367 B17R2.5365 Oc1ccc(c(c1)SCc2cccnc2)O 62a_100000741622_100009813629 [0,2,0,0,0,0|2,0,0]=4 10368 B17R2.5365 Oc1ccc(c(c1)SCc2ccncc2)Br 62a_100012339312_100015193705 [0,2,0,0,0,0|2,0,0]=4 10369 B17R2.5365 Oc1ccc(c(c1)SCc2ccncc2)Br 62a_100015193705_100012339312 [0,2,0,0,0,0|2,0,0]=4 10370 B17R2.5365 Oc1ccc(c(c1)SCc2ccncc2)Cl 62a_100000049588_100015193705 [0,2,0,0,0,0|2,0,0]=4 10371 B17R2.5365 Oc1ccc(c(c1)SCc2ccncc2)Cl 62a_100015193705_100000049588 [0,2,0,0,0,0|2,0,0]=4 10372 B17R2.5365 Oc1ccc(c(c1)SCc2ccncc2)F 62a_100000693481_100015193705 [0,2,0,0,0,0|2,0,0]=4 10373 B17R2.5365 Oc1ccc(c(c1)SCc2ccncc2)F 62a_100015193705_100000693481 [0,2,0,0,0,0|2,0,0]=4 10374 B17R2.5365 Oc1ccc(c(c1)SCc2ccncc2)O 62a_100015193705_100009813629 [0,2,0,0,0,0|2,0,0]=4 10375 B17R2.5365 Oc1ccc(cc1C#Cc2ccccc2)Br 271570a_100000069678_100012355227 [0,2,0,0,0,0|2,0,0]=4 10376 B17R2.5365 Oc1ccc(cc1C#Cc2ccccc2)Cl 271570a_100000069678_100011356953 [0,2,0,0,0,0|2,0,0]=4 10377 B17R2.5365 Oc1ccc(cc1C#Cc2ccccc2)F 271570a_100000069678_100000211999 [0,2,0,0,0,0|2,0,0]=4 10378 B17R2.5365 Oc1ccc(cc1C=Cc2ccccc2)Br 271570a_100102527694_100012355227 [0,2,0,0,0,0|2,0,0]=4 10379 B17R2.5365 Oc1ccc(cc1C=Cc2ccccc2)Cl 271570a_100102527694_100011356953 [0,2,0,0,0,0|2,0,0]=4 10380 B17R2.5365 Oc1ccc(cc1C=Cc2ccccc2)F 271570a_100102527694_100000211999 [0,2,0,0,0,0|2,0,0]=4 10381 B17R2.5365 Oc1ccc(cc1CNc2ccccc2)F 34a_100000106764_100010161318 [0,2,0,0,0,0|2,0,0]=4 10382 B17R2.5365 Oc1ccc(cc1COc2ccccc2)F 34a_100000210340_100010161318 [0,2,0,0,0,0|1,1,0]=4 10383 B17R2.5365 Oc1ccc(cc1COc2ccccc2)F 7a_100000210340_100010161318 [0,2,0,0,0,0|1,1,0]=4 10384 B17R2.5365 Oc1ccc(cc1CSc2ccccc2)F 62a_100000719477_100010161318 [0,2,0,0,0,0|1,0,0]=3 10385 B17R2.5365 Oc1ccc(cc1CSc2ccccc2)F 62a_100010161318_100000041952 [0,2,0,0,0,0|1,0,0]=3 10386 B17R2.5365 Oc1ccc(cc1CSc2ccccn2)F 62a_100010161318_100011216584 [0,2,0,0,0,0|2,0,0]=4 10387 B17R2.5365 Oc1ccc(cc1CSc2ccccn2)F 62a_100011216584_100010161318 [0,2,0,0,0,0|2,0,0]=4 10388 B17R2.5365 Oc1ccc(cc1CSc2cccnc2)F 62a_100000210063_100010161318 [0,2,0,0,0,0|2,0,0]=4 10389 B17R2.5365 Oc1ccc(cc1CSc2cccnc2)F 62a_100010161318_100000210063 [0,2,0,0,0,0|2,0,0]=4 10390 B17R2.5365 Oc1ccc(cc1CSc2ccncc2)F 62a_100000728582_100010161318 [0,2,0,0,0,0|2,0,0]=4 10391 B17R2.5365 Oc1ccc(cc1CSc2ccncc2)F 62a_100010161318_100000728582 [0,2,0,0,0,0|2,0,0]=4 10392 B17R2.5365 Oc1ccc(cc1NCc2ccccc2)Br 34a_100000752626_100015291786 [0,2,0,0,0,0|2,0,0]=4 10393 B17R2.5365 Oc1ccc(cc1NCc2ccccc2)Cl 34a_100000210500_100015291786 [0,2,0,0,0,0|2,0,0]=4 10394 B17R2.5365 Oc1ccc(cc1NCc2ccccc2)F 34a_100000759472_100015291786 [0,2,0,0,0,0|2,0,0]=4 10395 B17R2.5365 Oc1ccc(cc1OCc2ccccc2)F 271570a_203496583355_100012355265 [0,2,0,0,0,0|1,1,0]=4 10396 B17R2.5365 Oc1ccc(cc1SCc2ccccc2)Br 62a_100000211182_100012355227 [0,2,0,0,0,0|1,0,0]=3 10397 B17R2.5365 Oc1ccc(cc1SCc2ccccc2)Br 62a_100012355227_100015291786 [0,2,0,0,0,0|1,0,0]=3 10398 B17R2.5365 Oc1ccc(cc1SCc2ccccc2)Cl 62a_100000211182_100011356953 [0,2,0,0,0,0|1,0,0]=3 10399 B17R2.5365 Oc1ccc(cc1SCc2ccccc2)Cl 62a_100011356953_100015291786 [0,2,0,0,0,0|1,0,0]=3 10400 B17R2.5365 Oc1ccc(cc1SCc2ccccc2)F 62a_100000211182_100000211999 [0,2,0,0,0,0|1,0,0]=3 10401 B17R2.5365 Oc1ccc(cc1SCc2ccccc2)F 62a_100000211999_100015291786 [0,2,0,0,0,0|1,0,0]=3 10402 B17R2.5365 Oc1ccc(cc1SCc2ccccn2)Br 62a_100000721315_100012355227 [0,2,0,0,0,0|2,0,0]=4 10403 B17R2.5365 Oc1ccc(cc1SCc2ccccn2)Br 62a_100012355227_100000721315 [0,2,0,0,0,0|2,0,0]=4 10404 B17R2.5365 Oc1ccc(cc1SCc2ccccn2)Cl 62a_100000721315_100011356953 [0,2,0,0,0,0|2,0,0]=4 10405 B17R2.5365 Oc1ccc(cc1SCc2ccccn2)Cl 62a_100011356953_100000721315 [0,2,0,0,0,0|2,0,0]=4 10406 B17R2.5365 Oc1ccc(cc1SCc2ccccn2)F 62a_100000211999_100000721315 [0,2,0,0,0,0|2,0,0]=4 10407 B17R2.5365 Oc1ccc(cc1SCc2ccccn2)F 62a_100000721315_100000211999 [0,2,0,0,0,0|2,0,0]=4 10408 B17R2.5365 Oc1ccc(cc1SCc2cccnc2)Br 62a_100000741622_100012355227 [0,2,0,0,0,0|2,0,0]=4 10409 B17R2.5365 Oc1ccc(cc1SCc2cccnc2)Br 62a_100012355227_100000741622 [0,2,0,0,0,0|2,0,0]=4 10410 B17R2.5365 Oc1ccc(cc1SCc2cccnc2)Cl 62a_100000741622_100011356953 [0,2,0,0,0,0|2,0,0]=4 10411 B17R2.5365 Oc1ccc(cc1SCc2cccnc2)Cl 62a_100011356953_100000741622 [0,2,0,0,0,0|2,0,0]=4 10412 B17R2.5365 Oc1ccc(cc1SCc2cccnc2)F 62a_100000211999_100000741622 [0,2,0,0,0,0|2,0,0]=4 10413 B17R2.5365 Oc1ccc(cc1SCc2cccnc2)F 62a_100000741622_100000211999 [0,2,0,0,0,0|2,0,0]=4 10414 B17R2.5365 Oc1ccc(cc1SCc2ccncc2)Br 62a_100012355227_100015193705 [0,2,0,0,0,0|2,0,0]=4 10415 B17R2.5365 Oc1ccc(cc1SCc2ccncc2)Br 62a_100015193705_100012355227 [0,2,0,0,0,0|2,0,0]=4 10416 B17R2.5365 Oc1ccc(cc1SCc2ccncc2)Cl 62a_100011356953_100015193705 [0,2,0,0,0,0|2,0,0]=4 10417 B17R2.5365 Oc1ccc(cc1SCc2ccncc2)Cl 62a_100015193705_100011356953 [0,2,0,0,0,0|2,0,0]=4 10418 B17R2.5365 Oc1ccc(cc1SCc2ccncc2)F 62a_100000211999_100015193705 [0,2,0,0,0,0|2,0,0]=4 10419 B17R2.5365 Oc1ccc(cc1SCc2ccncc2)F 62a_100015193705_100000211999 [0,2,0,0,0,0|2,0,0]=4 10420 B17R2.5365 Oc1ccc(nc1SCc2ccccc2)Br 62a_100000211182_100010253912 [0,2,0,0,0,0|2,0,0]=4 10421 B17R2.5365 Oc1ccc(nc1SCc2ccccc2)Br 62a_100010253912_100015291786 [0,2,0,0,0,0|2,0,0]=4 10422 B17R2.5365 Oc1ccc(nc1SCc2ccccc2)Cl 62a_100000211182_100000696390 [0,2,0,0,0,0|2,0,0]=4 10423 B17R2.5365 Oc1ccc(nc1SCc2ccccc2)F 62a_100000211182_100010382442 [0,2,0,0,0,0|2,0,0]=4 10424 B17R2.5365 Oc1ccc(nc1SCc2ccccc2)F 62a_100010382442_100015291786 [0,2,0,0,0,0|2,0,0]=4 10425 B17R2.5365 Oc1cnc(c(c1)SCc2ccccc2)F 62a_100000211182_100009817267 [0,2,0,0,0,0|2,0,0]=4 10426 B17R2.5365 Oc1cnc(c(c1)SCc2ccccc2)F 62a_100009817267_100015291786 [0,2,0,0,0,0|2,0,0]=4 10427 B17R2.5365 Oc1cnc(cc1SCc2ccccc2)Cl 62a_100000211182_100000698892 [0,2,0,0,0,0|2,0,0]=4 10428 B17R2.5365 Oc1cnc(cc1SCc2ccccc2)Cl 62a_100000698892_100015291786 [0,2,0,0,0,0|2,0,0]=4 10429 B17R2.5365 Oc1ncc(cc1SCc2ccccc2)Br 62a_100000211182_100010197142 [0,2,0,0,0,0|2,0,0]=4 10430 B17R2.5365 Oc1ncc(cc1SCc2ccccc2)Br 62a_100010197142_100015291786 [0,2,0,0,0,0|2,0,0]=4 10431 B17R2.5365 Oc1ncc(cc1SCc2ccccc2)Cl 62a_100000211182_100010188700 [0,2,0,0,0,0|2,0,0]=4 10432 B17R2.5365 Oc1ncc(cc1SCc2ccccc2)Cl 62a_100010188700_100015291786 [0,2,0,0,0,0|2,0,0]=4 10433 B17R2.41893 Brc1cc(ccn1)CSc2ccccc2Br 62a_100000695589_100010243470 [0,2,0,0,0,0|2,0,0]=4 10434 B17R2.41893 Brc1cc(ccn1)CSc2ccccc2Br 62a_100010254460_100000695589 [0,2,0,0,0,0|2,0,0]=4 10435 B17R2.41893 Brc1cc(ccn1)SCc2ccccc2Br 62a_100000184730_100009814637 [0,2,0,0,0,0|2,0,0]=4 10436 B17R2.41893 Brc1cc(ccn1)SCc2ccccc2Br 62a_100009814637_100000184730 [0,2,0,0,0,0|2,0,0]=4 10437 B17R2.41893 Brc1cc(ccn1)SCc2ccccc2I 62a_100009814637_100011216222 [0,2,0,0,0,0|2,0,0]=4 10438 B17R2.41893 Brc1cc(ccn1)SCc2ccccc2I 62a_100011216222_100009814637 [0,2,0,0,0,0|2,0,0]=4 10439 B17R2.41893 Brc1cccc(c1)CNc2ccccc2Br 207a_100000210017_100000210085 [0,2,0,0,0,0|2,0,0]=4 10440 B17R2.41893 Brc1cccc(c1)CNc2ccccc2Br 34a_100000210017_100000698116 [0,2,0,0,0,0|2,0,0]=4 10441 B17R2.41893 Brc1cccc(c1)CNc2ccccc2I 207a_100000210053_100000210085 [0,2,0,0,0,0|2,0,0]=4 10442 B17R2.41893 Brc1cccc(c1)CNc2ccccc2I 34a_100000210053_100000698116 [0,2,0,0,0,0|2,0,0]=4 10443 B17R2.41893 Brc1cccc(c1)COc2ccccc2Br 34a_100000181306_100000698116 [0,2,0,0,0,0|1,1,0]=4 10444 B17R2.41893 Brc1cccc(c1)COc2ccccc2Br 7a_100000181306_100000211773 [0,2,0,0,0,0|1,1,0]=4 10445 B17R2.41893 Brc1cccc(c1)COc2ccccc2I 34a_100000739446_100000698116 [0,2,0,0,0,0|1,1,0]=4 10446 B17R2.41893 Brc1cccc(c1)COc2ccccc2I 7a_100000739446_100000211773 [0,2,0,0,0,0|1,1,0]=4 10447 B17R2.41893 Brc1cccc(c1)CSc2ccccc2Br 62a_100000211773_100000695589 [0,2,0,0,0,0|1,0,0]=3 10448 B17R2.41893 Brc1cccc(c1)CSc2ccccc2Br 62a_100000695589_100000211773 [0,2,0,0,0,0|1,0,0]=3 10449 B17R2.41893 Brc1cccc(c1)CSc2cccnc2Br 62a_100000211773_100010202626 [0,2,0,0,0,0|2,0,0]=4 10450 B17R2.41893 Brc1cccc(c1)CSc2cccnc2Br 62a_100010202626_100000211773 [0,2,0,0,0,0|2,0,0]=4 10451 B17R2.41893 Brc1cccc(c1)CSc2ccncc2Br 62a_100000211773_100000726257 [0,2,0,0,0,0|2,0,0]=4 10452 B17R2.41893 Brc1cccc(c1)CSc2ccncc2Br 62a_100000726257_100000211773 [0,2,0,0,0,0|2,0,0]=4 10453 B17R2.41893 Brc1cccc(c1)CSc2cnccc2Br 62a_100000211773_100010138639 [0,2,0,0,0,0|2,0,0]=4 10454 B17R2.41893 Brc1cccc(c1)CSc2cnccc2Br 62a_100010138639_100000211773 [0,2,0,0,0,0|2,0,0]=4 10455 B17R2.41893 Brc1cccc(c1)CSc2ncccc2Br 62a_100000211773_100000696092 [0,2,0,0,0,0|2,0,0]=4 10456 B17R2.41893 Brc1cccc(c1)CSc2ncccc2Br 62a_100000696092_100000211773 [0,2,0,0,0,0|2,0,0]=4 10457 B17R2.41893 Brc1cccc(c1)NCc2ccccc2Br 207a_100000210019_100000211189 [0,2,0,0,0,0|2,0,0]=4 10458 B17R2.41893 Brc1cccc(c1)NCc2ccccc2Br 270302a_100000210019_100000211189 [0,2,0,0,0,0|2,0,0]=4 10459 B17R2.41893 Brc1cccc(c1)NCc2ccccc2Br 34a_100000210019_100000184730 [0,2,0,0,0,0|2,0,0]=4 10460 B17R2.41893 Brc1cccc(c1)NCc2ccccc2I 207a_100000210019_100000010305 [0,2,0,0,0,0|2,0,0]=4 10461 B17R2.41893 Brc1cccc(c1)NCc2ccccc2I 34a_100000210019_100011215278 [0,2,0,0,0,0|2,0,0]=4 10462 B17R2.41893 Brc1cccc(c1)OCc2ccccc2Br 34a_100000210342_100000184730 [0,2,0,0,0,0|1,1,0]=4 10463 B17R2.41893 Brc1cccc(c1)OCc2ccccc2Br 7a_100000210342_100000184730 [0,2,0,0,0,0|1,1,0]=4 10464 B17R2.41893 Brc1cccc(c1)OCc2ccccc2I 34a_100000210342_100011215278 [0,2,0,0,0,0|1,1,0]=4 10465 B17R2.41893 Brc1cccc(c1)OCc2ccccc2I 7a_100000210342_100011215278 [0,2,0,0,0,0|1,1,0]=4 10466 B17R2.41893 Brc1cccc(c1)SCc2ccccc2Br 62a_100000184730_100000691529 [0,2,0,0,0,0|1,0,0]=3 10467 B17R2.41893 Brc1cccc(c1)SCc2ccccc2Br 62a_100000691529_100000184730 [0,2,0,0,0,0|1,0,0]=3 10468 B17R2.41893 Brc1cccc(c1)SCc2ccccc2I 62a_100000691529_100011216222 [0,2,0,0,0,0|1,0,0]=3 10469 B17R2.41893 Brc1cccc(c1)SCc2ccccc2I 62a_100011216222_100000691529 [0,2,0,0,0,0|1,0,0]=3 10470 B17R2.41893 Brc1cccc(c1)SCc2cccnc2Br 62a_100000691529_100010140945 [0,2,0,0,0,0|2,0,0]=4 10471 B17R2.41893 Brc1cccc(c1)SCc2cccnc2Br 62a_100010140945_100000691529 [0,2,0,0,0,0|2,0,0]=4 10472 B17R2.41893 Brc1cccc(c1)SCc2ncccc2Br 62a_100000691529_100025702911 [0,2,0,0,0,0|2,0,0]=4 10473 B17R2.41893 Brc1cccc(c1)SCc2ncccc2Br 62a_100025702911_100000691529 [0,2,0,0,0,0|2,0,0]=4 10474 B17R2.41893 Brc1cccc(n1)CSc2ccccc2Br 62a_100000695589_100009889011 [0,2,0,0,0,0|2,0,0]=4 10475 B17R2.41893 Brc1cccc(n1)CSc2ccccc2Br 62a_100009889011_100000695589 [0,2,0,0,0,0|2,0,0]=4 10476 B17R2.41893 Brc1cccc(n1)SCc2ccccc2Br 62a_100000184730_100000684672 [0,2,0,0,0,0|2,0,0]=4 10477 B17R2.41893 Brc1cccc(n1)SCc2ccccc2Br 62a_100000684672_100000184730 [0,2,0,0,0,0|2,0,0]=4 10478 B17R2.41893 Brc1cccc(n1)SCc2ccccc2I 62a_100000684672_100011216222 [0,2,0,0,0,0|2,0,0]=4 10479 B17R2.41893 Brc1cccc(n1)SCc2ccccc2I 62a_100011216222_100000684672 [0,2,0,0,0,0|2,0,0]=4 10480 B17R2.41893 Brc1ccccc1CNc2cccc(c2)I 207a_100000211102_100000211189 [0,2,0,0,0,0|2,0,0]=4 10481 B17R2.41893 Brc1ccccc1CNc2cccc(c2)I 270302a_100000211102_100000211189 [0,2,0,0,0,0|2,0,0]=4 10482 B17R2.41893 Brc1ccccc1CNc2cccc(c2)I 34a_100000211102_100000184730 [0,2,0,0,0,0|2,0,0]=4 10483 B17R2.41893 Brc1ccccc1COc2cccc(c2)I 34a_100000211634_100000184730 [0,2,0,0,0,0|1,1,0]=4 10484 B17R2.41893 Brc1ccccc1COc2cccc(c2)I 7a_100000211634_100000184730 [0,2,0,0,0,0|1,1,0]=4 10485 B17R2.41893 Brc1ccccc1NCc2cccc(c2)I 207a_100000210017_100000014684 [0,2,0,0,0,0|2,0,0]=4 10486 B17R2.41893 Brc1ccccc1NCc2cccc(c2)I 34a_100000210017_100011218688 [0,2,0,0,0,0|2,0,0]=4 10487 B17R2.41893 Brc1ccccc1OCc2cccc(c2)I 34a_100000181306_100011218688 [0,2,0,0,0,0|1,1,0]=4 10488 B17R2.41893 Brc1ccccc1OCc2cccc(c2)I 7a_100000181306_100011218688 [0,2,0,0,0,0|1,1,0]=4 10489 B17R2.41893 Brc1ccccc1SCc2cccc(c2)I 62a_100000695589_100011218688 [0,2,0,0,0,0|1,0,0]=3 10490 B17R2.41893 Brc1ccccc1SCc2cccc(c2)I 62a_100011218688_100000695589 [0,2,0,0,0,0|1,0,0]=3 10491 B17R2.41893 Brc1cccnc1SCc2cccc(c2)I 62a_100000696092_100011218688 [0,2,0,0,0,0|2,0,0]=4 10492 B17R2.41893 Brc1cccnc1SCc2cccc(c2)I 62a_100011218688_100000696092 [0,2,0,0,0,0|2,0,0]=4 10493 B17R2.41893 Brc1ccnc(c1)CSc2ccccc2Br 62a_100000695589_100010173614 [0,2,0,0,0,0|2,0,0]=4 10494 B17R2.41893 Brc1ccnc(c1)CSc2ccccc2Br 62a_100010173614_100000695589 [0,2,0,0,0,0|2,0,0]=4 10495 B17R2.41893 Brc1ccncc1SCc2cccc(c2)I 62a_100010138639_100011218688 [0,2,0,0,0,0|2,0,0]=4 10496 B17R2.41893 Brc1ccncc1SCc2cccc(c2)I 62a_100011218688_100010138639 [0,2,0,0,0,0|2,0,0]=4 10497 B17R2.41893 Brc1cncc(c1)CSc2ccccc2Br 62a_100000695589_100000738771 [0,2,0,0,0,0|2,0,0]=4 10498 B17R2.41893 Brc1cncc(c1)CSc2ccccc2Br 62a_100000738771_100000695589 [0,2,0,0,0,0|2,0,0]=4 10499 B17R2.41893 Brc1cncc(c1)SCc2ccccc2Br 62a_100000184730_100000728054 [0,2,0,0,0,0|2,0,0]=4 10500 B17R2.41893 Brc1cncc(c1)SCc2ccccc2Br 62a_100000728054_100000184730 [0,2,0,0,0,0|2,0,0]=4 10501 B17R2.41893 Brc1cncc(c1)SCc2ccccc2I 62a_100000728054_100011216222 [0,2,0,0,0,0|2,0,0]=4 10502 B17R2.41893 Brc1cncc(c1)SCc2ccccc2I 62a_100011216222_100000728054 [0,2,0,0,0,0|2,0,0]=4 10503 B17R2.41893 Brc1cnccc1SCc2cccc(c2)I 62a_100000726257_100011218688 [0,2,0,0,0,0|2,0,0]=4 10504 B17R2.41893 Brc1cnccc1SCc2cccc(c2)I 62a_100011218688_100000726257 [0,2,0,0,0,0|2,0,0]=4 10505 B17R2.41893 Brc1ncccc1SCc2cccc(c2)I 62a_100010202626_100011218688 [0,2,0,0,0,0|2,0,0]=4 10506 B17R2.41893 Brc1ncccc1SCc2cccc(c2)I 62a_100011218688_100010202626 [0,2,0,0,0,0|2,0,0]=4 10507 B17R2.41893 C[n+]1cccc(c1)SCc2ccccc2Br 62a_100000184730_100009996589 [0,2,0,0,0,0|2,0,0]=4 10508 B17R2.41893 C[n+]1cccc(c1)SCc2ccccc2Br 62a_100009996589_100000184730 [0,2,0,0,0,0|2,0,0]=4 10509 B17R2.41893 C[n+]1cccc(c1)SCc2ccccc2Cl 62a_100000187162_100009996589 [0,2,0,0,0,0|2,0,0]=4 10510 B17R2.41893 C[n+]1cccc(c1)SCc2ccccc2Cl 62a_100009996589_100000187162 [0,2,0,0,0,0|2,0,0]=4 10511 B17R2.41893 C[n+]1cccc(c1)SCc2ccccc2F 62a_100000211605_100009996589 [0,2,0,0,0,0|2,0,0]=4 10512 B17R2.41893 C[n+]1cccc(c1)SCc2ccccc2F 62a_100009996589_100000211605 [0,2,0,0,0,0|2,0,0]=4 10513 B17R2.41893 C[n+]1cccc(c1)SCc2ccccc2I 62a_100009996589_100011216222 [0,2,0,0,0,0|2,0,0]=4 10514 B17R2.41893 C[n+]1cccc(c1)SCc2ccccc2I 62a_100011216222_100009996589 [0,2,0,0,0,0|2,0,0]=4 10515 B17R2.41893 C[n+]1ccccc1SCc2cccc(c2)Br 62a_100000211773_100000212160 [0,2,0,0,0,0|2,0,0]=4 10516 B17R2.41893 C[n+]1ccccc1SCc2cccc(c2)Cl 62a_100000187163_100000212160 [0,2,0,0,0,0|2,0,0]=4 10517 B17R2.41893 C[n+]1ccccc1SCc2cccc(c2)F 62a_100000230114_100000212160 [0,2,0,0,0,0|2,0,0]=4 10518 B17R2.41893 C[n+]1ccccc1SCc2cccc(c2)I 62a_100011218688_100000212160 [0,2,0,0,0,0|2,0,0]=4 10519 B17R2.41893 C[n+]1ccccc1SCc2cccc(c2)O 62a_100011660834_100000212160 [0,2,0,0,0,0|2,0,0]=4 10520 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2Br 62a_100000695589_200020672517 [0,2,0,0,0,0|2,0,0]=4 10521 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2Br 62a_200020672517_100000695589 [0,2,0,0,0,0|2,0,0]=4 10522 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2C 62a_100000210755_200020672517 [0,2,0,0,0,0|2,0,0]=4 10523 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2C 62a_200020672517_100000210755 [0,2,0,0,0,0|2,0,0]=4 10524 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2Cl 62a_100000764095_200020672517 [0,2,0,0,0,0|2,0,0]=4 10525 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2Cl 62a_200020672517_100000764095 [0,2,0,0,0,0|2,0,0]=4 10526 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2F 62a_100011215700_200020672517 [0,2,0,0,0,0|2,0,0]=4 10527 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2F 62a_200020672517_100011215700 [0,2,0,0,0,0|2,0,0]=4 10528 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2N 62a_100000210017_200020672517 [0,2,0,0,0,0|2,0,0]=4 10529 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2N 62a_200020672517_100000210017 [0,2,0,0,0,0|2,0,0]=4 10530 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2O 62a_100000739446_200020672517 [0,2,0,0,0,0|2,0,0]=4 10531 B17R2.41893 Cc1cc(ccn1)CSc2ccccc2O 62a_200020672517_100000739446 [0,2,0,0,0,0|2,0,0]=4 10532 B17R2.41893 Cc1cc(ccn1)SCc2ccccc2Br 62a_100000184730_100000758586 [0,2,0,0,0,0|2,0,0]=4 10533 B17R2.41893 Cc1cc(ccn1)SCc2ccccc2Br 62a_100000758586_100000184730 [0,2,0,0,0,0|2,0,0]=4 10534 B17R2.41893 Cc1cc(ccn1)SCc2ccccc2C 62a_100000211839_100000758586 [0,2,0,0,0,0|2,0,0]=4 10535 B17R2.41893 Cc1cc(ccn1)SCc2ccccc2C 62a_100000758586_100000211839 [0,2,0,0,0,0|2,0,0]=4 10536 B17R2.41893 Cc1cc(ccn1)SCc2ccccc2Cl 62a_100000187162_100000758586 [0,2,0,0,0,0|2,0,0]=4 10537 B17R2.41893 Cc1cc(ccn1)SCc2ccccc2Cl 62a_100000758586_100000187162 [0,2,0,0,0,0|2,0,0]=4 10538 B17R2.41893 Cc1cc(ccn1)SCc2ccccc2F 62a_100000211605_100000758586 [0,2,0,0,0,0|2,0,0]=4 10539 B17R2.41893 Cc1cc(ccn1)SCc2ccccc2F 62a_100000758586_100000211605 [0,2,0,0,0,0|2,0,0]=4 10540 B17R2.41893 Cc1cc(ccn1)SCc2ccccc2I 62a_100000758586_100011216222 [0,2,0,0,0,0|2,0,0]=4 10541 B17R2.41893 Cc1cc(ccn1)SCc2ccccc2I 62a_100011216222_100000758586 [0,2,0,0,0,0|2,0,0]=4 10542 B17R2.41893 Cc1cccc(c1)C=Cc2ccccc2Br 271570a_200135466880_100000695589 [0,2,0,0,0,0|2,0,0]=4 10543 B17R2.41893 Cc1cccc(c1)C=Cc2ccccc2C 271570a_200135466880_100000210755 [0,2,0,0,0,0|2,0,0]=4 10544 B17R2.41893 Cc1cccc(c1)C=Cc2ccccc2Cl 271570a_200135466880_100000764095 [0,2,0,0,0,0|2,0,0]=4 10545 B17R2.41893 Cc1cccc(c1)C=Cc2ccccc2F 271570a_200102527919_100011215228 [0,2,0,0,0,0|2,0,0]=4 10546 B17R2.41893 Cc1cccc(c1)C=Cc2ccccc2F 271570a_200135466880_100011215700 [0,2,0,0,0,0|2,0,0]=4 10547 B17R2.41893 Cc1cccc(c1)C=Cc2ccccc2N 271570a_200135466880_100000210017 [0,2,0,0,0,0|2,0,0]=4 10548 B17R2.41893 Cc1cccc(c1)C=Cc2ccccc2O 271570a_200135466880_100000739446 [0,2,0,0,0,0|2,0,0]=4 10549 B17R2.41893 Cc1cccc(c1)CNc2ccccc2Br 207a_100000210017_100000211157 [0,2,0,0,0,0|2,0,0]=4 10550 B17R2.41893 Cc1cccc(c1)CNc2ccccc2Br 34a_100000210017_100000211840 [0,2,0,0,0,0|2,0,0]=4 10551 B17R2.41893 Cc1cccc(c1)CNc2ccccc2C 207a_100015192222_100000211157 [0,2,0,0,0,0|2,0,0]=4 10552 B17R2.41893 Cc1cccc(c1)CNc2ccccc2C 270302a_100015192222_100000211157 [0,2,0,0,0,0|2,0,0]=4 10553 B17R2.41893 Cc1cccc(c1)CNc2ccccc2C 34a_100015192222_100000211840 [0,2,0,0,0,0|2,0,0]=4 10554 B17R2.41893 Cc1cccc(c1)CNc2ccccc2Cl 207a_100000185783_100000211157 [0,2,0,0,0,0|2,0,0]=4 10555 B17R2.41893 Cc1cccc(c1)CNc2ccccc2Cl 34a_100000185783_100000211840 [0,2,0,0,0,0|2,0,0]=4 10556 B17R2.41893 Cc1cccc(c1)CNc2ccccc2F 207a_100000210422_100000211157 [0,2,0,0,0,0|2,0,0]=4 10557 B17R2.41893 Cc1cccc(c1)CNc2ccccc2F 34a_100000210422_100000211840 [0,2,0,0,0,0|2,0,0]=4 10558 B17R2.41893 Cc1cccc(c1)CNc2ccccc2I 207a_100000210053_100000211157 [0,2,0,0,0,0|2,0,0]=4 10559 B17R2.41893 Cc1cccc(c1)CNc2ccccc2I 34a_100000210053_100000211840 [0,2,0,0,0,0|2,0,0]=4 10560 B17R2.41893 Cc1cccc(c1)CNc2ccccc2O 34a_100000185747_100000211840 [0,2,0,0,0,0|2,0,0]=4 10561 B17R2.41893 Cc1cccc(c1)COc2ccccc2Br 34a_100000181306_100000211840 [0,2,0,0,0,0|1,1,0]=4 10562 B17R2.41893 Cc1cccc(c1)COc2ccccc2Br 7a_100000181306_100000211840 [0,2,0,0,0,0|1,1,0]=4 10563 B17R2.41893 Cc1cccc(c1)COc2ccccc2C 34a_100000210338_100000211840 [0,2,0,0,0,0|1,1,0]=4 10564 B17R2.41893 Cc1cccc(c1)COc2ccccc2C 7a_100000210338_100000211840 [0,2,0,0,0,0|1,1,0]=4 10565 B17R2.41893 Cc1cccc(c1)COc2ccccc2Cl 34a_100000210172_100000211840 [0,2,0,0,0,0|1,1,0]=4 10566 B17R2.41893 Cc1cccc(c1)COc2ccccc2Cl 7a_100000210172_100000211840 [0,2,0,0,0,0|1,1,0]=4 10567 B17R2.41893 Cc1cccc(c1)COc2ccccc2F 34a_100000210171_100000211840 [0,2,0,0,0,0|1,1,0]=4 10568 B17R2.41893 Cc1cccc(c1)COc2ccccc2F 7a_100000210171_100000211840 [0,2,0,0,0,0|1,1,0]=4 10569 B17R2.41893 Cc1cccc(c1)COc2ccccc2I 34a_100000739446_100000211840 [0,2,0,0,0,0|1,1,0]=4 10570 B17R2.41893 Cc1cccc(c1)COc2ccccc2I 7a_100000739446_100000211840 [0,2,0,0,0,0|1,1,0]=4 10571 B17R2.41893 Cc1cccc(c1)COc2ccccc2N 34a_100000185747_100000211840 [0,2,0,0,0,0|1,1,0]=4 10572 B17R2.41893 Cc1cccc(c1)COc2ccccc2N 7a_100000185747_100000211840 [0,2,0,0,0,0|1,1,0]=4 10573 B17R2.41893 Cc1cccc(c1)CSc2c[nH]ccc2=O 62a_100000211840_100009998708 [0,2,0,0,0,0|2,0,0]=4 10574 B17R2.41893 Cc1cccc(c1)CSc2c[nH]ccc2=O 62a_100009998708_100000211840 [0,2,0,0,0,0|2,0,0]=4 10575 B17R2.41893 Cc1cccc(c1)CSc2c[nH]ccc2=S 62a_100000211840_200012280681 [0,2,0,0,0,0|2,0,0]=4 10576 B17R2.41893 Cc1cccc(c1)CSc2c[nH]ccc2=S 62a_200012280681_100000211840 [0,2,0,0,0,0|2,0,0]=4 10577 B17R2.41893 Cc1cccc(c1)CSc2cccc[n+]2C 62a_100000211840_100000212160 [0,2,0,0,0,0|2,0,0]=4 10578 B17R2.41893 Cc1cccc(c1)CSc2cccc[n+]2[O-] 62a_100000211840_200000042595 [0,2,0,0,0,0|2,0,0]=4 10579 B17R2.41893 Cc1cccc(c1)CSc2ccccc2Br 62a_100000211840_100000695589 [0,2,0,0,0,0|1,0,0]=3 10580 B17R2.41893 Cc1cccc(c1)CSc2ccccc2Br 62a_100000695589_100000211840 [0,2,0,0,0,0|1,0,0]=3 10581 B17R2.41893 Cc1cccc(c1)CSc2ccccc2C 62a_100000210755_100000211840 [0,2,0,0,0,0|1,0,0]=3 10582 B17R2.41893 Cc1cccc(c1)CSc2ccccc2C 62a_100000211840_100000210755 [0,2,0,0,0,0|1,0,0]=3 10583 B17R2.41893 Cc1cccc(c1)CSc2ccccc2Cl 62a_100000211840_100000764095 [0,2,0,0,0,0|1,0,0]=3 10584 B17R2.41893 Cc1cccc(c1)CSc2ccccc2Cl 62a_100000764095_100000211840 [0,2,0,0,0,0|1,0,0]=3 10585 B17R2.41893 Cc1cccc(c1)CSc2ccccc2F 62a_100000211840_100011215700 [0,2,0,0,0,0|1,0,0]=3 10586 B17R2.41893 Cc1cccc(c1)CSc2ccccc2F 62a_100011215700_100000211840 [0,2,0,0,0,0|1,0,0]=3 10587 B17R2.41893 Cc1cccc(c1)CSc2ccccc2N 62a_100000210017_100000211840 [0,2,0,0,0,0|1,0,0]=3 10588 B17R2.41893 Cc1cccc(c1)CSc2ccccc2N 62a_100000211840_100000210017 [0,2,0,0,0,0|1,0,0]=3 10589 B17R2.41893 Cc1cccc(c1)CSc2ccccc2O 62a_100000211840_100000739446 [0,2,0,0,0,0|1,0,0]=3 10590 B17R2.41893 Cc1cccc(c1)CSc2ccccc2O 62a_100000739446_100000211840 [0,2,0,0,0,0|1,0,0]=3 10591 B17R2.41893 Cc1cccc(c1)CSc2cccnc2Br 62a_100000211840_100010202626 [0,2,0,0,0,0|2,0,0]=4 10592 B17R2.41893 Cc1cccc(c1)CSc2cccnc2Br 62a_100010202626_100000211840 [0,2,0,0,0,0|2,0,0]=4 10593 B17R2.41893 Cc1cccc(c1)CSc2cccnc2C 62a_100000211840_100000751574 [0,2,0,0,0,0|2,0,0]=4 10594 B17R2.41893 Cc1cccc(c1)CSc2cccnc2C 62a_100000751574_100000211840 [0,2,0,0,0,0|2,0,0]=4 10595 B17R2.41893 Cc1cccc(c1)CSc2cccnc2Cl 62a_100000036424_100000211840 [0,2,0,0,0,0|2,0,0]=4 10596 B17R2.41893 Cc1cccc(c1)CSc2cccnc2Cl 62a_100000211840_100000036424 [0,2,0,0,0,0|2,0,0]=4 10597 B17R2.41893 Cc1cccc(c1)CSc2cccnc2F 62a_100000211840_100009816115 [0,2,0,0,0,0|2,0,0]=4 10598 B17R2.41893 Cc1cccc(c1)CSc2cccnc2F 62a_100009816115_100000211840 [0,2,0,0,0,0|2,0,0]=4 10599 B17R2.41893 Cc1cccc(c1)CSc2cccnc2N 62a_100000045569_100000211840 [0,2,0,0,0,0|2,0,0]=4 10600 B17R2.41893 Cc1cccc(c1)CSc2cccnc2N 62a_100000211840_100000045569 [0,2,0,0,0,0|2,0,0]=4 10601 B17R2.41893 Cc1cccc(c1)CSc2cccnc2O 62a_100000211840_100000760158 [0,2,0,0,0,0|2,0,0]=4 10602 B17R2.41893 Cc1cccc(c1)CSc2cccnc2O 62a_100000760158_100000211840 [0,2,0,0,0,0|2,0,0]=4 10603 B17R2.41893 Cc1cccc(c1)CSc2ccncc2Br 62a_100000211840_100000726257 [0,2,0,0,0,0|2,0,0]=4 10604 B17R2.41893 Cc1cccc(c1)CSc2ccncc2Br 62a_100000726257_100000211840 [0,2,0,0,0,0|2,0,0]=4 10605 B17R2.41893 Cc1cccc(c1)CSc2ccncc2C 62a_100000211840_100000765111 [0,2,0,0,0,0|2,0,0]=4 10606 B17R2.41893 Cc1cccc(c1)CSc2ccncc2C 62a_100000765111_100000211840 [0,2,0,0,0,0|2,0,0]=4 10607 B17R2.41893 Cc1cccc(c1)CSc2ccncc2Cl 62a_100000211840_100000708259 [0,2,0,0,0,0|2,0,0]=4 10608 B17R2.41893 Cc1cccc(c1)CSc2ccncc2Cl 62a_100000708259_100000211840 [0,2,0,0,0,0|2,0,0]=4 10609 B17R2.41893 Cc1cccc(c1)CSc2ccncc2F 62a_100000047030_100000211840 [0,2,0,0,0,0|2,0,0]=4 10610 B17R2.41893 Cc1cccc(c1)CSc2ccncc2F 62a_100000211840_100000047030 [0,2,0,0,0,0|2,0,0]=4 10611 B17R2.41893 Cc1cccc(c1)CSc2ccncc2N 62a_100000211840_100000756074 [0,2,0,0,0,0|2,0,0]=4 10612 B17R2.41893 Cc1cccc(c1)CSc2ccncc2N 62a_100000756074_100000211840 [0,2,0,0,0,0|2,0,0]=4 10613 B17R2.41893 Cc1cccc(c1)CSc2ccncc2O 62a_100000211840_100009817591 [0,2,0,0,0,0|2,0,0]=4 10614 B17R2.41893 Cc1cccc(c1)CSc2ccncc2O 62a_100009817591_100000211840 [0,2,0,0,0,0|2,0,0]=4 10615 B17R2.41893 Cc1cccc(c1)CSc2cnccc2Br 62a_100000211840_100010138639 [0,2,0,0,0,0|2,0,0]=4 10616 B17R2.41893 Cc1cccc(c1)CSc2cnccc2Br 62a_100010138639_100000211840 [0,2,0,0,0,0|2,0,0]=4 10617 B17R2.41893 Cc1cccc(c1)CSc2cnccc2C 62a_100000211840_100000761580 [0,2,0,0,0,0|2,0,0]=4 10618 B17R2.41893 Cc1cccc(c1)CSc2cnccc2C 62a_100000761580_100000211840 [0,2,0,0,0,0|2,0,0]=4 10619 B17R2.41893 Cc1cccc(c1)CSc2cnccc2Cl 62a_100000211840_100009995489 [0,2,0,0,0,0|2,0,0]=4 10620 B17R2.41893 Cc1cccc(c1)CSc2cnccc2Cl 62a_100009995489_100000211840 [0,2,0,0,0,0|2,0,0]=4 10621 B17R2.41893 Cc1cccc(c1)CSc2cnccc2F 62a_100000211840_100009820683 [0,2,0,0,0,0|2,0,0]=4 10622 B17R2.41893 Cc1cccc(c1)CSc2cnccc2F 62a_100009820683_100000211840 [0,2,0,0,0,0|2,0,0]=4 10623 B17R2.41893 Cc1cccc(c1)CSc2cnccc2N 62a_100000047001_100000211840 [0,2,0,0,0,0|2,0,0]=4 10624 B17R2.41893 Cc1cccc(c1)CSc2cnccc2N 62a_100000211840_100000047001 [0,2,0,0,0,0|2,0,0]=4 10625 B17R2.41893 Cc1cccc(c1)CSc2ncccc2Br 62a_100000211840_100000696092 [0,2,0,0,0,0|2,0,0]=4 10626 B17R2.41893 Cc1cccc(c1)CSc2ncccc2Br 62a_100000696092_100000211840 [0,2,0,0,0,0|2,0,0]=4 10627 B17R2.41893 Cc1cccc(c1)CSc2ncccc2C 62a_100000211840_100000751373 [0,2,0,0,0,0|2,0,0]=4 10628 B17R2.41893 Cc1cccc(c1)CSc2ncccc2C 62a_100000751373_100000211840 [0,2,0,0,0,0|2,0,0]=4 10629 B17R2.41893 Cc1cccc(c1)CSc2ncccc2Cl 62a_100000211840_100011356963 [0,2,0,0,0,0|2,0,0]=4 10630 B17R2.41893 Cc1cccc(c1)CSc2ncccc2Cl 62a_100011356963_100000211840 [0,2,0,0,0,0|2,0,0]=4 10631 B17R2.41893 Cc1cccc(c1)CSc2ncccc2F 62a_100000211840_100000685392 [0,2,0,0,0,0|2,0,0]=4 10632 B17R2.41893 Cc1cccc(c1)CSc2ncccc2F 62a_100000685392_100000211840 [0,2,0,0,0,0|2,0,0]=4 10633 B17R2.41893 Cc1cccc(c1)CSc2ncccc2N 62a_100000211840_100000688686 [0,2,0,0,0,0|2,0,0]=4 10634 B17R2.41893 Cc1cccc(c1)CSc2ncccc2N 62a_100000688686_100000211840 [0,2,0,0,0,0|2,0,0]=4 10635 B17R2.41893 Cc1cccc(c1)CSc2ncccc2O 62a_100000034122_100000211840 [0,2,0,0,0,0|2,0,0]=4 10636 B17R2.41893 Cc1cccc(c1)CSc2ncccc2O 62a_100000211840_100000034122 [0,2,0,0,0,0|2,0,0]=4 10637 B17R2.41893 Cc1cccc(c1)NCc2ccccc2Br 207a_100000188690_100000211189 [0,2,0,0,0,0|2,0,0]=4 10638 B17R2.41893 Cc1cccc(c1)NCc2ccccc2Br 2230a_100000188690_100000184730 [0,2,0,0,0,0|2,0,0]=4 10639 B17R2.41893 Cc1cccc(c1)NCc2ccccc2Br 270302a_100000188690_100000211189 [0,2,0,0,0,0|2,0,0]=4 10640 B17R2.41893 Cc1cccc(c1)NCc2ccccc2Br 34a_100000188690_100000184730 [0,2,0,0,0,0|2,0,0]=4 10641 B17R2.41893 Cc1cccc(c1)NCc2ccccc2C 207a_100000188690_100000211143 [0,2,0,0,0,0|2,0,0]=4 10642 B17R2.41893 Cc1cccc(c1)NCc2ccccc2C 2230a_100000188690_100000211839 [0,2,0,0,0,0|2,0,0]=4 10643 B17R2.41893 Cc1cccc(c1)NCc2ccccc2C 270302a_100000188690_100000211143 [0,2,0,0,0,0|2,0,0]=4 10644 B17R2.41893 Cc1cccc(c1)NCc2ccccc2C 34a_100000188690_100000211839 [0,2,0,0,0,0|2,0,0]=4 10645 B17R2.41893 Cc1cccc(c1)NCc2ccccc2Cl 207a_100000188690_100000210073 [0,2,0,0,0,0|2,0,0]=4 10646 B17R2.41893 Cc1cccc(c1)NCc2ccccc2Cl 2230a_100000188690_100000187162 [0,2,0,0,0,0|2,0,0]=4 10647 B17R2.41893 Cc1cccc(c1)NCc2ccccc2Cl 270302a_100000188690_100000210073 [0,2,0,0,0,0|2,0,0]=4 10648 B17R2.41893 Cc1cccc(c1)NCc2ccccc2Cl 34a_100000188690_100000187162 [0,2,0,0,0,0|2,0,0]=4 10649 B17R2.41893 Cc1cccc(c1)NCc2ccccc2F 207a_100000188690_100000210811 [0,2,0,0,0,0|2,0,0]=4 10650 B17R2.41893 Cc1cccc(c1)NCc2ccccc2F 2230a_100000188690_100000211605 [0,2,0,0,0,0|2,0,0]=4 10651 B17R2.41893 Cc1cccc(c1)NCc2ccccc2F 270302a_100000188690_100000210811 [0,2,0,0,0,0|2,0,0]=4 10652 B17R2.41893 Cc1cccc(c1)NCc2ccccc2F 34a_100000188690_100000211605 [0,2,0,0,0,0|2,0,0]=4 10653 B17R2.41893 Cc1cccc(c1)NCc2ccccc2I 207a_100000188690_100000010305 [0,2,0,0,0,0|2,0,0]=4 10654 B17R2.41893 Cc1cccc(c1)NCc2ccccc2I 2230a_100000188690_100011215278 [0,2,0,0,0,0|2,0,0]=4 10655 B17R2.41893 Cc1cccc(c1)NCc2ccccc2I 34a_100000188690_100011215278 [0,2,0,0,0,0|2,0,0]=4 10656 B17R2.41893 Cc1cccc(c1)NCc2ccccc2O 270302a_100000188690_100000185834 [0,2,0,0,0,0|2,0,0]=4 10657 B17R2.41893 Cc1cccc(c1)OCc2ccccc2Br 34a_100000210337_100000184730 [0,2,0,0,0,0|1,1,0]=4 10658 B17R2.41893 Cc1cccc(c1)OCc2ccccc2Br 7a_100000210337_100000184730 [0,2,0,0,0,0|1,1,0]=4 10659 B17R2.41893 Cc1cccc(c1)OCc2ccccc2C 34a_100000210337_100000211839 [0,2,0,0,0,0|1,1,0]=4 10660 B17R2.41893 Cc1cccc(c1)OCc2ccccc2C 7a_100000210337_100000211839 [0,2,0,0,0,0|1,1,0]=4 10661 B17R2.41893 Cc1cccc(c1)OCc2ccccc2Cl 34a_100000210337_100000187162 [0,2,0,0,0,0|1,1,0]=4 10662 B17R2.41893 Cc1cccc(c1)OCc2ccccc2Cl 7a_100000210337_100000187162 [0,2,0,0,0,0|1,1,0]=4 10663 B17R2.41893 Cc1cccc(c1)OCc2ccccc2F 34a_100000210337_100000211605 [0,2,0,0,0,0|1,1,0]=4 10664 B17R2.41893 Cc1cccc(c1)OCc2ccccc2F 7a_100000210337_100000211605 [0,2,0,0,0,0|1,1,0]=4 10665 B17R2.41893 Cc1cccc(c1)OCc2ccccc2I 34a_100000210337_100011215278 [0,2,0,0,0,0|1,1,0]=4 10666 B17R2.41893 Cc1cccc(c1)OCc2ccccc2I 7a_100000210337_100011215278 [0,2,0,0,0,0|1,1,0]=4 10667 B17R2.41893 Cc1cccc(c1)SCc2ccccc2Br 62a_100000184730_100011215228 [0,2,0,0,0,0|1,0,0]=3 10668 B17R2.41893 Cc1cccc(c1)SCc2ccccc2Br 62a_100011215228_100000184730 [0,2,0,0,0,0|1,0,0]=3 10669 B17R2.41893 Cc1cccc(c1)SCc2ccccc2C 62a_100000211839_100011215228 [0,2,0,0,0,0|1,0,0]=3 10670 B17R2.41893 Cc1cccc(c1)SCc2ccccc2C 62a_100011215228_100000211839 [0,2,0,0,0,0|1,0,0]=3 10671 B17R2.41893 Cc1cccc(c1)SCc2ccccc2Cl 62a_100000187162_100011215228 [0,2,0,0,0,0|1,0,0]=3 10672 B17R2.41893 Cc1cccc(c1)SCc2ccccc2Cl 62a_100011215228_100000187162 [0,2,0,0,0,0|1,0,0]=3 10673 B17R2.41893 Cc1cccc(c1)SCc2ccccc2F 62a_100000211605_100011215228 [0,2,0,0,0,0|1,0,0]=3 10674 B17R2.41893 Cc1cccc(c1)SCc2ccccc2F 62a_100011215228_100000211605 [0,2,0,0,0,0|1,0,0]=3 10675 B17R2.41893 Cc1cccc(c1)SCc2ccccc2I 62a_100011215228_100011216222 [0,2,0,0,0,0|1,0,0]=3 10676 B17R2.41893 Cc1cccc(c1)SCc2ccccc2I 62a_100011216222_100011215228 [0,2,0,0,0,0|1,0,0]=3 10677 B17R2.41893 Cc1cccc(c1)SCc2cccnc2Br 62a_100010140945_100011215228 [0,2,0,0,0,0|2,0,0]=4 10678 B17R2.41893 Cc1cccc(c1)SCc2cccnc2Br 62a_100011215228_100010140945 [0,2,0,0,0,0|2,0,0]=4 10679 B17R2.41893 Cc1cccc(c1)SCc2cccnc2C 62a_100000732876_100011215228 [0,2,0,0,0,0|2,0,0]=4 10680 B17R2.41893 Cc1cccc(c1)SCc2cccnc2C 62a_100011215228_100000732876 [0,2,0,0,0,0|2,0,0]=4 10681 B17R2.41893 Cc1cccc(c1)SCc2cccnc2Cl 62a_100000045678_100011215228 [0,2,0,0,0,0|2,0,0]=4 10682 B17R2.41893 Cc1cccc(c1)SCc2cccnc2Cl 62a_100011215228_100000045678 [0,2,0,0,0,0|2,0,0]=4 10683 B17R2.41893 Cc1cccc(c1)SCc2cccnc2F 62a_100000099810_100011215228 [0,2,0,0,0,0|2,0,0]=4 10684 B17R2.41893 Cc1cccc(c1)SCc2cccnc2F 62a_100011215228_100000099810 [0,2,0,0,0,0|2,0,0]=4 10685 B17R2.41893 Cc1cccc(c1)SCc2ccncc2C 62a_100011215228_100020672808 [0,2,0,0,0,0|2,0,0]=4 10686 B17R2.41893 Cc1cccc(c1)SCc2ccncc2C 62a_100020672808_100011215228 [0,2,0,0,0,0|2,0,0]=4 10687 B17R2.41893 Cc1cccc(c1)SCc2ccncc2Cl 62a_100000763264_100011215228 [0,2,0,0,0,0|2,0,0]=4 10688 B17R2.41893 Cc1cccc(c1)SCc2ccncc2Cl 62a_100011215228_100000763264 [0,2,0,0,0,0|2,0,0]=4 10689 B17R2.41893 Cc1cccc(c1)SCc2cnccc2C 62a_100000690890_100011215228 [0,2,0,0,0,0|2,0,0]=4 10690 B17R2.41893 Cc1cccc(c1)SCc2cnccc2C 62a_100011215228_100000690890 [0,2,0,0,0,0|2,0,0]=4 10691 B17R2.41893 Cc1cccc(c1)SCc2ncccc2Br 62a_100011215228_100025702911 [0,2,0,0,0,0|2,0,0]=4 10692 B17R2.41893 Cc1cccc(c1)SCc2ncccc2Br 62a_100025702911_100011215228 [0,2,0,0,0,0|2,0,0]=4 10693 B17R2.41893 Cc1cccc(c1)SCc2ncccc2C 62a_100000696600_100011215228 [0,2,0,0,0,0|2,0,0]=4 10694 B17R2.41893 Cc1cccc(c1)SCc2ncccc2C 62a_100011215228_100000696600 [0,2,0,0,0,0|2,0,0]=4 10695 B17R2.41893 Cc1cccc(c1)SCc2ncccc2Cl 62a_100000099807_100011215228 [0,2,0,0,0,0|2,0,0]=4 10696 B17R2.41893 Cc1cccc(c1)SCc2ncccc2Cl 62a_100011215228_100000099807 [0,2,0,0,0,0|2,0,0]=4 10697 B17R2.41893 Cc1cccc(c1)SCc2ncccc2F 62a_100000104219_100011215228 [0,2,0,0,0,0|2,0,0]=4 10698 B17R2.41893 Cc1cccc(c1)SCc2ncccc2F 62a_100011215228_100000104219 [0,2,0,0,0,0|2,0,0]=4 10699 B17R2.41893 Cc1cccc(c1)SCc2ncccc2O 62a_100011215228_200020655725 [0,2,0,0,0,0|2,0,0]=4 10700 B17R2.41893 Cc1cccc(c1)SCc2ncccc2O 62a_200020655725_100011215228 [0,2,0,0,0,0|2,0,0]=4 10701 B17R2.41893 Cc1cccc(n1)CSc2ccccc2Br 62a_100000695589_100000757606 [0,2,0,0,0,0|2,0,0]=4 10702 B17R2.41893 Cc1cccc(n1)CSc2ccccc2Br 62a_100000757606_100000695589 [0,2,0,0,0,0|2,0,0]=4 10703 B17R2.41893 Cc1cccc(n1)CSc2ccccc2C 62a_100000210755_100000757606 [0,2,0,0,0,0|2,0,0]=4 10704 B17R2.41893 Cc1cccc(n1)CSc2ccccc2C 62a_100000757606_100000210755 [0,2,0,0,0,0|2,0,0]=4 10705 B17R2.41893 Cc1cccc(n1)CSc2ccccc2Cl 62a_100000757606_100000764095 [0,2,0,0,0,0|2,0,0]=4 10706 B17R2.41893 Cc1cccc(n1)CSc2ccccc2Cl 62a_100000764095_100000757606 [0,2,0,0,0,0|2,0,0]=4 10707 B17R2.41893 Cc1cccc(n1)CSc2ccccc2F 62a_100000757606_100011215700 [0,2,0,0,0,0|2,0,0]=4 10708 B17R2.41893 Cc1cccc(n1)CSc2ccccc2F 62a_100011215700_100000757606 [0,2,0,0,0,0|2,0,0]=4 10709 B17R2.41893 Cc1cccc(n1)CSc2ccccc2N 62a_100000210017_100000757606 [0,2,0,0,0,0|2,0,0]=4 10710 B17R2.41893 Cc1cccc(n1)CSc2ccccc2N 62a_100000757606_100000210017 [0,2,0,0,0,0|2,0,0]=4 10711 B17R2.41893 Cc1cccc(n1)CSc2ccccc2O 62a_100000739446_100000757606 [0,2,0,0,0,0|2,0,0]=4 10712 B17R2.41893 Cc1cccc(n1)CSc2ccccc2O 62a_100000757606_100000739446 [0,2,0,0,0,0|2,0,0]=4 10713 B17R2.41893 Cc1cccc(n1)SCc2ccccc2Br 62a_100000184730_100000742759 [0,2,0,0,0,0|2,0,0]=4 10714 B17R2.41893 Cc1cccc(n1)SCc2ccccc2Br 62a_100000742759_100000184730 [0,2,0,0,0,0|2,0,0]=4 10715 B17R2.41893 Cc1cccc(n1)SCc2ccccc2C 62a_100000211839_100000742759 [0,2,0,0,0,0|2,0,0]=4 10716 B17R2.41893 Cc1cccc(n1)SCc2ccccc2C 62a_100000742759_100000211839 [0,2,0,0,0,0|2,0,0]=4 10717 B17R2.41893 Cc1cccc(n1)SCc2ccccc2Cl 62a_100000187162_100000742759 [0,2,0,0,0,0|2,0,0]=4 10718 B17R2.41893 Cc1cccc(n1)SCc2ccccc2Cl 62a_100000742759_100000187162 [0,2,0,0,0,0|2,0,0]=4 10719 B17R2.41893 Cc1cccc(n1)SCc2ccccc2F 62a_100000211605_100000742759 [0,2,0,0,0,0|2,0,0]=4 10720 B17R2.41893 Cc1cccc(n1)SCc2ccccc2F 62a_100000742759_100000211605 [0,2,0,0,0,0|2,0,0]=4 10721 B17R2.41893 Cc1cccc(n1)SCc2ccccc2I 62a_100000742759_100011216222 [0,2,0,0,0,0|2,0,0]=4 10722 B17R2.41893 Cc1cccc(n1)SCc2ccccc2I 62a_100011216222_100000742759 [0,2,0,0,0,0|2,0,0]=4 10723 B17R2.41893 Cc1ccccc1C=Cc2cccc(c2)Cl 271570a_100102525933_100000210755 [0,2,0,0,0,0|2,0,0]=4 10724 B17R2.41893 Cc1ccccc1C=Cc2cccc(c2)F 271570a_100102525537_100000210755 [0,2,0,0,0,0|2,0,0]=4 10725 B17R2.41893 Cc1ccccc1CNc2cccc(c2)Br 207a_100000210019_100000211143 [0,2,0,0,0,0|2,0,0]=4 10726 B17R2.41893 Cc1ccccc1CNc2cccc(c2)Br 270302a_100000210019_100000211143 [0,2,0,0,0,0|2,0,0]=4 10727 B17R2.41893 Cc1ccccc1CNc2cccc(c2)Br 34a_100000210019_100000211839 [0,2,0,0,0,0|2,0,0]=4 10728 B17R2.41893 Cc1ccccc1CNc2cccc(c2)Cl 207a_100000185859_100000211143 [0,2,0,0,0,0|2,0,0]=4 10729 B17R2.41893 Cc1ccccc1CNc2cccc(c2)Cl 270302a_100000185859_100000211143 [0,2,0,0,0,0|2,0,0]=4 10730 B17R2.41893 Cc1ccccc1CNc2cccc(c2)Cl 34a_100000185859_100000211839 [0,2,0,0,0,0|2,0,0]=4 10731 B17R2.41893 Cc1ccccc1CNc2cccc(c2)F 207a_100000210047_100000211143 [0,2,0,0,0,0|2,0,0]=4 10732 B17R2.41893 Cc1ccccc1CNc2cccc(c2)F 270302a_100000210047_100000211143 [0,2,0,0,0,0|2,0,0]=4 10733 B17R2.41893 Cc1ccccc1CNc2cccc(c2)F 34a_100000210047_100000211839 [0,2,0,0,0,0|2,0,0]=4 10734 B17R2.41893 Cc1ccccc1CNc2cccc(c2)I 207a_100000211102_100000211143 [0,2,0,0,0,0|2,0,0]=4 10735 B17R2.41893 Cc1ccccc1CNc2cccc(c2)I 270302a_100000211102_100000211143 [0,2,0,0,0,0|2,0,0]=4 10736 B17R2.41893 Cc1ccccc1CNc2cccc(c2)I 34a_100000211102_100000211839 [0,2,0,0,0,0|2,0,0]=4 10737 B17R2.41893 Cc1ccccc1CNc2cccc(c2)O 270302a_100000210217_100000211143 [0,2,0,0,0,0|2,0,0]=4 10738 B17R2.41893 Cc1ccccc1CNc2cccc(c2)O 34a_100000210217_100000211839 [0,2,0,0,0,0|2,0,0]=4 10739 B17R2.41893 Cc1ccccc1COc2cccc(c2)Br 34a_100000210342_100000211839 [0,2,0,0,0,0|1,1,0]=4 10740 B17R2.41893 Cc1ccccc1COc2cccc(c2)Br 7a_100000210342_100000211839 [0,2,0,0,0,0|1,1,0]=4 10741 B17R2.41893 Cc1ccccc1COc2cccc(c2)Cl 34a_100000210295_100000211839 [0,2,0,0,0,0|1,1,0]=4 10742 B17R2.41893 Cc1ccccc1COc2cccc(c2)Cl 7a_100000210295_100000211839 [0,2,0,0,0,0|1,1,0]=4 10743 B17R2.41893 Cc1ccccc1COc2cccc(c2)F 34a_100000210426_100000211839 [0,2,0,0,0,0|1,1,0]=4 10744 B17R2.41893 Cc1ccccc1COc2cccc(c2)F 7a_100000210426_100000211839 [0,2,0,0,0,0|1,1,0]=4 10745 B17R2.41893 Cc1ccccc1COc2cccc(c2)I 34a_100000211634_100000211839 [0,2,0,0,0,0|1,1,0]=4 10746 B17R2.41893 Cc1ccccc1COc2cccc(c2)I 7a_100000211634_100000211839 [0,2,0,0,0,0|1,1,0]=4 10747 B17R2.41893 Cc1ccccc1COc2cccc(c2)N 34a_100000210217_100000211839 [0,2,0,0,0,0|1,1,0]=4 10748 B17R2.41893 Cc1ccccc1COc2cccc(c2)O 271570a_203496583355_200000151848 [0,2,0,0,0,0|1,1,0]=4 10749 B17R2.41893 Cc1ccccc1CSc2cc(=O)cc[nH]2 62a_100009817434_100000211839 [0,2,0,0,0,0|2,0,0]=4 10750 B17R2.41893 Cc1ccccc1CSc2cc(ccn2)Cl 62a_100000211839_100010167805 [0,2,0,0,0,0|2,0,0]=4 10751 B17R2.41893 Cc1ccccc1CSc2cc(ccn2)Cl 62a_100010167805_100000211839 [0,2,0,0,0,0|2,0,0]=4 10752 B17R2.41893 Cc1ccccc1CSc2cc(ccn2)F 62a_100000211839_100000764206 [0,2,0,0,0,0|2,0,0]=4 10753 B17R2.41893 Cc1ccccc1CSc2cc(ccn2)F 62a_100000764206_100000211839 [0,2,0,0,0,0|2,0,0]=4 10754 B17R2.41893 Cc1ccccc1CSc2cc(ccn2)N 62a_100000211839_100009814236 [0,2,0,0,0,0|2,0,0]=4 10755 B17R2.41893 Cc1ccccc1CSc2cc(ccn2)N 62a_100009814236_100000211839 [0,2,0,0,0,0|2,0,0]=4 10756 B17R2.41893 Cc1ccccc1CSc2cc(ccn2)O 62a_100000211839_100000762945 [0,2,0,0,0,0|2,0,0]=4 10757 B17R2.41893 Cc1ccccc1CSc2cc[nH]c(=O)c2 62a_100000211839_100009816521 [0,2,0,0,0,0|2,0,0]=4 10758 B17R2.41893 Cc1ccccc1CSc2cc[nH]c(=O)c2 62a_100009816521_100000211839 [0,2,0,0,0,0|2,0,0]=4 10759 B17R2.41893 Cc1ccccc1CSc2ccc[n+](c2)C 62a_100000211839_100009996589 [0,2,0,0,0,0|2,0,0]=4 10760 B17R2.41893 Cc1ccccc1CSc2ccc[n+](c2)C 62a_100009996589_100000211839 [0,2,0,0,0,0|2,0,0]=4 10761 B17R2.41893 Cc1ccccc1CSc2ccc[n+](c2)[O-] 62a_100000211839_100009815978 [0,2,0,0,0,0|2,0,0]=4 10762 B17R2.41893 Cc1ccccc1CSc2cccc(=O)[nH]2 62a_100000211839_100000752884 [0,2,0,0,0,0|2,0,0]=4 10763 B17R2.41893 Cc1ccccc1CSc2cccc(c2)Br 62a_100000211839_100000691529 [0,2,0,0,0,0|1,0,0]=3 10764 B17R2.41893 Cc1ccccc1CSc2cccc(c2)Br 62a_100000691529_100000211839 [0,2,0,0,0,0|1,0,0]=3 10765 B17R2.41893 Cc1ccccc1CSc2cccc(c2)Cl 62a_100000211839_100000699651 [0,2,0,0,0,0|1,0,0]=3 10766 B17R2.41893 Cc1ccccc1CSc2cccc(c2)Cl 62a_100000699651_100000211839 [0,2,0,0,0,0|1,0,0]=3 10767 B17R2.41893 Cc1ccccc1CSc2cccc(c2)F 62a_100000211839_100000685547 [0,2,0,0,0,0|1,0,0]=3 10768 B17R2.41893 Cc1ccccc1CSc2cccc(c2)F 62a_100000685547_100000211839 [0,2,0,0,0,0|1,0,0]=3 10769 B17R2.41893 Cc1ccccc1CSc2cccc(c2)N 62a_100000210019_100000211839 [0,2,0,0,0,0|1,0,0]=3 10770 B17R2.41893 Cc1ccccc1CSc2cccc(c2)N 62a_100000211839_100000210019 [0,2,0,0,0,0|1,0,0]=3 10771 B17R2.41893 Cc1ccccc1CSc2cccc(c2)O 62a_100000211839_100000211634 [0,2,0,0,0,0|1,0,0]=3 10772 B17R2.41893 Cc1ccccc1CSc2cccc(c2)[S] 62a_100000211839_114929384022 [0,2,0,0,0,0|1,0,0]=3 10773 B17R2.41893 Cc1ccccc1CSc2cccc(c2)[S] 62a_114929384022_100000211839 [0,2,0,0,0,0|1,0,0]=3 10774 B17R2.41893 Cc1ccccc1CSc2cccc(n2)Br 62a_100000211839_100000684672 [0,2,0,0,0,0|2,0,0]=4 10775 B17R2.41893 Cc1ccccc1CSc2cccc(n2)Br 62a_100000684672_100000211839 [0,2,0,0,0,0|2,0,0]=4 10776 B17R2.41893 Cc1ccccc1CSc2cccc(n2)Cl 62a_100000051397_100000211839 [0,2,0,0,0,0|2,0,0]=4 10777 B17R2.41893 Cc1ccccc1CSc2cccc(n2)Cl 62a_100000211839_100000051397 [0,2,0,0,0,0|2,0,0]=4 10778 B17R2.41893 Cc1ccccc1CSc2cccc(n2)F 62a_100000211839_100009815982 [0,2,0,0,0,0|2,0,0]=4 10779 B17R2.41893 Cc1ccccc1CSc2cccc(n2)F 62a_100009815982_100000211839 [0,2,0,0,0,0|2,0,0]=4 10780 B17R2.41893 Cc1ccccc1CSc2cccc(n2)N 62a_100000211839_100000740741 [0,2,0,0,0,0|2,0,0]=4 10781 B17R2.41893 Cc1ccccc1CSc2cccc(n2)N 62a_100000740741_100000211839 [0,2,0,0,0,0|2,0,0]=4 10782 B17R2.41893 Cc1ccccc1CSc2ccnc(c2)Br 62a_100000211839_100009814637 [0,2,0,0,0,0|2,0,0]=4 10783 B17R2.41893 Cc1ccccc1CSc2ccnc(c2)Br 62a_100009814637_100000211839 [0,2,0,0,0,0|2,0,0]=4 10784 B17R2.41893 Cc1ccccc1CSc2ccnc(c2)Cl 62a_100000035001_100000211839 [0,2,0,0,0,0|2,0,0]=4 10785 B17R2.41893 Cc1ccccc1CSc2ccnc(c2)Cl 62a_100000211839_100000035001 [0,2,0,0,0,0|2,0,0]=4 10786 B17R2.41893 Cc1ccccc1CSc2ccnc(c2)F 62a_100000211839_100009816116 [0,2,0,0,0,0|2,0,0]=4 10787 B17R2.41893 Cc1ccccc1CSc2ccnc(c2)F 62a_100009816116_100000211839 [0,2,0,0,0,0|2,0,0]=4 10788 B17R2.41893 Cc1ccccc1CSc2ccnc(c2)N 62a_100000049665_100000211839 [0,2,0,0,0,0|2,0,0]=4 10789 B17R2.41893 Cc1ccccc1CSc2ccnc(c2)N 62a_100000211839_100000049665 [0,2,0,0,0,0|2,0,0]=4 10790 B17R2.41893 Cc1ccccc1CSc2cncc(c2)Br 62a_100000211839_100000728054 [0,2,0,0,0,0|2,0,0]=4 10791 B17R2.41893 Cc1ccccc1CSc2cncc(c2)Br 62a_100000728054_100000211839 [0,2,0,0,0,0|2,0,0]=4 10792 B17R2.41893 Cc1ccccc1CSc2cncc(c2)Cl 62a_100000049639_100000211839 [0,2,0,0,0,0|2,0,0]=4 10793 B17R2.41893 Cc1ccccc1CSc2cncc(c2)Cl 62a_100000211839_100000049639 [0,2,0,0,0,0|2,0,0]=4 10794 B17R2.41893 Cc1ccccc1CSc2cncc(c2)F 62a_100000211839_100000744099 [0,2,0,0,0,0|2,0,0]=4 10795 B17R2.41893 Cc1ccccc1CSc2cncc(c2)F 62a_100000744099_100000211839 [0,2,0,0,0,0|2,0,0]=4 10796 B17R2.41893 Cc1ccccc1CSc2cncc(c2)N 62a_100000211839_100000687067 [0,2,0,0,0,0|2,0,0]=4 10797 B17R2.41893 Cc1ccccc1CSc2cncc(c2)N 62a_100000687067_100000211839 [0,2,0,0,0,0|2,0,0]=4 10798 B17R2.41893 Cc1ccccc1CSc2cncc(c2)O 62a_100000211839_100000754920 [0,2,0,0,0,0|2,0,0]=4 10799 B17R2.41893 Cc1ccccc1CSc2cncc(c2)O 62a_100000754920_100000211839 [0,2,0,0,0,0|2,0,0]=4 10800 B17R2.41893 Cc1ccccc1NCc2cccc(c2)Br 207a_100015192222_100000210085 [0,2,0,0,0,0|2,0,0]=4 10801 B17R2.41893 Cc1ccccc1NCc2cccc(c2)Br 270302a_100015192222_100000210085 [0,2,0,0,0,0|2,0,0]=4 10802 B17R2.41893 Cc1ccccc1NCc2cccc(c2)Br 34a_100015192222_100000698116 [0,2,0,0,0,0|2,0,0]=4 10803 B17R2.41893 Cc1ccccc1NCc2cccc(c2)Cl 207a_100015192222_100000210801 [0,2,0,0,0,0|2,0,0]=4 10804 B17R2.41893 Cc1ccccc1NCc2cccc(c2)Cl 270302a_100015192222_100000210801 [0,2,0,0,0,0|2,0,0]=4 10805 B17R2.41893 Cc1ccccc1NCc2cccc(c2)Cl 34a_100015192222_100000187163 [0,2,0,0,0,0|2,0,0]=4 10806 B17R2.41893 Cc1ccccc1NCc2cccc(c2)F 207a_100015192222_100000210812 [0,2,0,0,0,0|2,0,0]=4 10807 B17R2.41893 Cc1ccccc1NCc2cccc(c2)F 270302a_100015192222_100000210812 [0,2,0,0,0,0|2,0,0]=4 10808 B17R2.41893 Cc1ccccc1NCc2cccc(c2)F 34a_100015192222_100000187166 [0,2,0,0,0,0|2,0,0]=4 10809 B17R2.41893 Cc1ccccc1NCc2cccc(c2)I 207a_100015192222_100000014684 [0,2,0,0,0,0|2,0,0]=4 10810 B17R2.41893 Cc1ccccc1NCc2cccc(c2)I 270302a_100015192222_100000014684 [0,2,0,0,0,0|2,0,0]=4 10811 B17R2.41893 Cc1ccccc1NCc2cccc(c2)I 34a_100015192222_100011218688 [0,2,0,0,0,0|2,0,0]=4 10812 B17R2.41893 Cc1ccccc1NCc2cccc(c2)O 207a_100015192222_100000188321 [0,2,0,0,0,0|2,0,0]=4 10813 B17R2.41893 Cc1ccccc1NCc2cccc(c2)O 34a_100015192222_100011660834 [0,2,0,0,0,0|2,0,0]=4 10814 B17R2.41893 Cc1ccccc1OCc2cccc(c2)Br 34a_100000210338_100000698116 [0,2,0,0,0,0|1,1,0]=4 10815 B17R2.41893 Cc1ccccc1OCc2cccc(c2)Br 7a_100000210338_100000211773 [0,2,0,0,0,0|1,1,0]=4 10816 B17R2.41893 Cc1ccccc1OCc2cccc(c2)Cl 34a_100000210338_100000187163 [0,2,0,0,0,0|1,1,0]=4 10817 B17R2.41893 Cc1ccccc1OCc2cccc(c2)Cl 7a_100000210338_100000187163 [0,2,0,0,0,0|1,1,0]=4 10818 B17R2.41893 Cc1ccccc1OCc2cccc(c2)F 34a_100000210338_100000187166 [0,2,0,0,0,0|1,1,0]=4 10819 B17R2.41893 Cc1ccccc1OCc2cccc(c2)F 7a_100000210338_100000230114 [0,2,0,0,0,0|1,1,0]=4 10820 B17R2.41893 Cc1ccccc1OCc2cccc(c2)I 34a_100000210338_100011218688 [0,2,0,0,0,0|1,1,0]=4 10821 B17R2.41893 Cc1ccccc1OCc2cccc(c2)I 7a_100000210338_100011218688 [0,2,0,0,0,0|1,1,0]=4 10822 B17R2.41893 Cc1ccccc1OCc2cccc(c2)O 34a_100000210338_100011660834 [0,2,0,0,0,0|1,1,0]=4 10823 B17R2.41893 Cc1ccccc1OCc2cccc(c2)O 7a_100000210338_100000084143 [0,2,0,0,0,0|1,1,0]=4 10824 B17R2.41893 Cc1ccccc1SCc2cc(ccn2)Br 62a_100000210755_100010173614 [0,2,0,0,0,0|2,0,0]=4 10825 B17R2.41893 Cc1ccccc1SCc2cc(ccn2)Br 62a_100010173614_100000210755 [0,2,0,0,0,0|2,0,0]=4 10826 B17R2.41893 Cc1ccccc1SCc2cc(ccn2)Cl 62a_100000210755_100016988179 [0,2,0,0,0,0|2,0,0]=4 10827 B17R2.41893 Cc1ccccc1SCc2cc(ccn2)Cl 62a_100016988179_100000210755 [0,2,0,0,0,0|2,0,0]=4 10828 B17R2.41893 Cc1ccccc1SCc2cccc(c2)Br 62a_100000210755_100000211773 [0,2,0,0,0,0|1,0,0]=3 10829 B17R2.41893 Cc1ccccc1SCc2cccc(c2)Br 62a_100000211773_100000210755 [0,2,0,0,0,0|1,0,0]=3 10830 B17R2.41893 Cc1ccccc1SCc2cccc(c2)Cl 62a_100000187163_100000210755 [0,2,0,0,0,0|1,0,0]=3 10831 B17R2.41893 Cc1ccccc1SCc2cccc(c2)Cl 62a_100000210755_100000187163 [0,2,0,0,0,0|1,0,0]=3 10832 B17R2.41893 Cc1ccccc1SCc2cccc(c2)F 62a_100000210755_100000230114 [0,2,0,0,0,0|1,0,0]=3 10833 B17R2.41893 Cc1ccccc1SCc2cccc(c2)F 62a_100000230114_100000210755 [0,2,0,0,0,0|1,0,0]=3 10834 B17R2.41893 Cc1ccccc1SCc2cccc(c2)I 62a_100000210755_100011218688 [0,2,0,0,0,0|1,0,0]=3 10835 B17R2.41893 Cc1ccccc1SCc2cccc(c2)I 62a_100011218688_100000210755 [0,2,0,0,0,0|1,0,0]=3 10836 B17R2.41893 Cc1ccccc1SCc2cccc(c2)O 62a_100000210755_100011660834 [0,2,0,0,0,0|1,0,0]=3 10837 B17R2.41893 Cc1ccccc1SCc2cccc(c2)O 62a_100011660834_100000210755 [0,2,0,0,0,0|1,0,0]=3 10838 B17R2.41893 Cc1ccccc1SCc2cccc(n2)Br 62a_100000210755_100009889011 [0,2,0,0,0,0|2,0,0]=4 10839 B17R2.41893 Cc1ccccc1SCc2cccc(n2)Br 62a_100009889011_100000210755 [0,2,0,0,0,0|2,0,0]=4 10840 B17R2.41893 Cc1ccccc1SCc2cccc(n2)Cl 62a_100000086093_100000210755 [0,2,0,0,0,0|2,0,0]=4 10841 B17R2.41893 Cc1ccccc1SCc2cccc(n2)Cl 62a_100000210755_100000086093 [0,2,0,0,0,0|2,0,0]=4 10842 B17R2.41893 Cc1ccccc1SCc2cccc(n2)F 62a_100000210755_100009819644 [0,2,0,0,0,0|2,0,0]=4 10843 B17R2.41893 Cc1ccccc1SCc2cccc(n2)F 62a_100009819644_100000210755 [0,2,0,0,0,0|2,0,0]=4 10844 B17R2.41893 Cc1ccccc1SCc2ccnc(c2)Br 62a_100000210755_100010243470 [0,2,0,0,0,0|2,0,0]=4 10845 B17R2.41893 Cc1ccccc1SCc2ccnc(c2)Br 62a_100010254460_100000210755 [0,2,0,0,0,0|2,0,0]=4 10846 B17R2.41893 Cc1ccccc1SCc2ccnc(c2)Cl 62a_100000210755_100000764220 [0,2,0,0,0,0|2,0,0]=4 10847 B17R2.41893 Cc1ccccc1SCc2ccnc(c2)Cl 62a_100000764220_100000210755 [0,2,0,0,0,0|2,0,0]=4 10848 B17R2.41893 Cc1ccccc1SCc2cncc(c2)Br 62a_100000210755_100000738771 [0,2,0,0,0,0|2,0,0]=4 10849 B17R2.41893 Cc1ccccc1SCc2cncc(c2)Br 62a_100000738771_100000210755 [0,2,0,0,0,0|2,0,0]=4 10850 B17R2.41893 Cc1ccccc1SCc2cncc(c2)Cl 62a_100000210755_100016992070 [0,2,0,0,0,0|2,0,0]=4 10851 B17R2.41893 Cc1ccccc1SCc2cncc(c2)Cl 62a_100016992070_100000210755 [0,2,0,0,0,0|2,0,0]=4 10852 B17R2.41893 Cc1ccccc1SCc2cncc(c2)F 62a_100000210755_100000725299 [0,2,0,0,0,0|2,0,0]=4 10853 B17R2.41893 Cc1ccccc1SCc2cncc(c2)F 62a_100000725299_100000210755 [0,2,0,0,0,0|2,0,0]=4 10854 B17R2.41893 Cc1cccnc1CSc2cccc(c2)Br 62a_100000691529_100000696600 [0,2,0,0,0,0|2,0,0]=4 10855 B17R2.41893 Cc1cccnc1CSc2cccc(c2)Br 62a_100000696600_100000691529 [0,2,0,0,0,0|2,0,0]=4 10856 B17R2.41893 Cc1cccnc1CSc2cccc(c2)Cl 62a_100000696600_100000699651 [0,2,0,0,0,0|2,0,0]=4 10857 B17R2.41893 Cc1cccnc1CSc2cccc(c2)Cl 62a_100000699651_100000696600 [0,2,0,0,0,0|2,0,0]=4 10858 B17R2.41893 Cc1cccnc1CSc2cccc(c2)F 62a_100000685547_100000696600 [0,2,0,0,0,0|2,0,0]=4 10859 B17R2.41893 Cc1cccnc1CSc2cccc(c2)F 62a_100000696600_100000685547 [0,2,0,0,0,0|2,0,0]=4 10860 B17R2.41893 Cc1cccnc1CSc2cccc(c2)N 62a_100000210019_100000696600 [0,2,0,0,0,0|2,0,0]=4 10861 B17R2.41893 Cc1cccnc1CSc2cccc(c2)N 62a_100000696600_100000210019 [0,2,0,0,0,0|2,0,0]=4 10862 B17R2.41893 Cc1cccnc1CSc2cccc(c2)O 62a_100000696600_100000211634 [0,2,0,0,0,0|2,0,0]=4 10863 B17R2.41893 Cc1cccnc1CSc2cccc(c2)[S] 62a_100000696600_114929384022 [0,2,0,0,0,0|2,0,0]=4 10864 B17R2.41893 Cc1cccnc1CSc2cccc(c2)[S] 62a_114929384022_100000696600 [0,2,0,0,0,0|2,0,0]=4 10865 B17R2.41893 Cc1cccnc1SCc2cccc(c2)Br 62a_100000211773_100000751373 [0,2,0,0,0,0|2,0,0]=4 10866 B17R2.41893 Cc1cccnc1SCc2cccc(c2)Br 62a_100000751373_100000211773 [0,2,0,0,0,0|2,0,0]=4 10867 B17R2.41893 Cc1cccnc1SCc2cccc(c2)Cl 62a_100000187163_100000751373 [0,2,0,0,0,0|2,0,0]=4 10868 B17R2.41893 Cc1cccnc1SCc2cccc(c2)Cl 62a_100000751373_100000187163 [0,2,0,0,0,0|2,0,0]=4 10869 B17R2.41893 Cc1cccnc1SCc2cccc(c2)F 62a_100000230114_100000751373 [0,2,0,0,0,0|2,0,0]=4 10870 B17R2.41893 Cc1cccnc1SCc2cccc(c2)F 62a_100000751373_100000230114 [0,2,0,0,0,0|2,0,0]=4 10871 B17R2.41893 Cc1cccnc1SCc2cccc(c2)I 62a_100000751373_100011218688 [0,2,0,0,0,0|2,0,0]=4 10872 B17R2.41893 Cc1cccnc1SCc2cccc(c2)I 62a_100011218688_100000751373 [0,2,0,0,0,0|2,0,0]=4 10873 B17R2.41893 Cc1cccnc1SCc2cccc(c2)O 62a_100000751373_100011660834 [0,2,0,0,0,0|2,0,0]=4 10874 B17R2.41893 Cc1cccnc1SCc2cccc(c2)O 62a_100011660834_100000751373 [0,2,0,0,0,0|2,0,0]=4 10875 B17R2.41893 Cc1ccnc(c1)CSc2ccccc2Br 62a_100000695589_100000718516 [0,2,0,0,0,0|2,0,0]=4 10876 B17R2.41893 Cc1ccnc(c1)CSc2ccccc2Br 62a_100000718516_100000695589 [0,2,0,0,0,0|2,0,0]=4 10877 B17R2.41893 Cc1ccnc(c1)CSc2ccccc2C 62a_100000210755_100000718516 [0,2,0,0,0,0|2,0,0]=4 10878 B17R2.41893 Cc1ccnc(c1)CSc2ccccc2C 62a_100000718516_100000210755 [0,2,0,0,0,0|2,0,0]=4 10879 B17R2.41893 Cc1ccnc(c1)CSc2ccccc2Cl 62a_100000718516_100000764095 [0,2,0,0,0,0|2,0,0]=4 10880 B17R2.41893 Cc1ccnc(c1)CSc2ccccc2Cl 62a_100000764095_100000718516 [0,2,0,0,0,0|2,0,0]=4 10881 B17R2.41893 Cc1ccnc(c1)CSc2ccccc2F 62a_100000718516_100011215700 [0,2,0,0,0,0|2,0,0]=4 10882 B17R2.41893 Cc1ccnc(c1)CSc2ccccc2F 62a_100011215700_100000718516 [0,2,0,0,0,0|2,0,0]=4 10883 B17R2.41893 Cc1ccnc(c1)CSc2ccccc2N 62a_100000210017_100000718516 [0,2,0,0,0,0|2,0,0]=4 10884 B17R2.41893 Cc1ccnc(c1)CSc2ccccc2N 62a_100000718516_100000210017 [0,2,0,0,0,0|2,0,0]=4 10885 B17R2.41893 Cc1ccnc(c1)CSc2ccccc2O 62a_100000718516_100000739446 [0,2,0,0,0,0|2,0,0]=4 10886 B17R2.41893 Cc1ccnc(c1)CSc2ccccc2O 62a_100000739446_100000718516 [0,2,0,0,0,0|2,0,0]=4 10887 B17R2.41893 Cc1ccnc(c1)SCc2ccccc2Br 62a_100000184730_100000750283 [0,2,0,0,0,0|2,0,0]=4 10888 B17R2.41893 Cc1ccnc(c1)SCc2ccccc2Br 62a_100000750283_100000184730 [0,2,0,0,0,0|2,0,0]=4 10889 B17R2.41893 Cc1ccnc(c1)SCc2ccccc2C 62a_100000211839_100000750283 [0,2,0,0,0,0|2,0,0]=4 10890 B17R2.41893 Cc1ccnc(c1)SCc2ccccc2C 62a_100000750283_100000211839 [0,2,0,0,0,0|2,0,0]=4 10891 B17R2.41893 Cc1ccnc(c1)SCc2ccccc2Cl 62a_100000187162_100000750283 [0,2,0,0,0,0|2,0,0]=4 10892 B17R2.41893 Cc1ccnc(c1)SCc2ccccc2Cl 62a_100000750283_100000187162 [0,2,0,0,0,0|2,0,0]=4 10893 B17R2.41893 Cc1ccnc(c1)SCc2ccccc2F 62a_100000211605_100000750283 [0,2,0,0,0,0|2,0,0]=4 10894 B17R2.41893 Cc1ccnc(c1)SCc2ccccc2F 62a_100000750283_100000211605 [0,2,0,0,0,0|2,0,0]=4 10895 B17R2.41893 Cc1ccnc(c1)SCc2ccccc2I 62a_100000750283_100011216222 [0,2,0,0,0,0|2,0,0]=4 10896 B17R2.41893 Cc1ccnc(c1)SCc2ccccc2I 62a_100011216222_100000750283 [0,2,0,0,0,0|2,0,0]=4 10897 B17R2.41893 Cc1ccncc1CSc2cccc(c2)Br 62a_100000690890_100000691529 [0,2,0,0,0,0|2,0,0]=4 10898 B17R2.41893 Cc1ccncc1CSc2cccc(c2)Br 62a_100000691529_100000690890 [0,2,0,0,0,0|2,0,0]=4 10899 B17R2.41893 Cc1ccncc1CSc2cccc(c2)Cl 62a_100000690890_100000699651 [0,2,0,0,0,0|2,0,0]=4 10900 B17R2.41893 Cc1ccncc1CSc2cccc(c2)Cl 62a_100000699651_100000690890 [0,2,0,0,0,0|2,0,0]=4 10901 B17R2.41893 Cc1ccncc1CSc2cccc(c2)F 62a_100000685547_100000690890 [0,2,0,0,0,0|2,0,0]=4 10902 B17R2.41893 Cc1ccncc1CSc2cccc(c2)F 62a_100000690890_100000685547 [0,2,0,0,0,0|2,0,0]=4 10903 B17R2.41893 Cc1ccncc1CSc2cccc(c2)N 62a_100000210019_100000690890 [0,2,0,0,0,0|2,0,0]=4 10904 B17R2.41893 Cc1ccncc1CSc2cccc(c2)N 62a_100000690890_100000210019 [0,2,0,0,0,0|2,0,0]=4 10905 B17R2.41893 Cc1ccncc1CSc2cccc(c2)O 62a_100000690890_100000211634 [0,2,0,0,0,0|2,0,0]=4 10906 B17R2.41893 Cc1ccncc1CSc2cccc(c2)[S] 62a_100000690890_114929384022 [0,2,0,0,0,0|2,0,0]=4 10907 B17R2.41893 Cc1ccncc1CSc2cccc(c2)[S] 62a_114929384022_100000690890 [0,2,0,0,0,0|2,0,0]=4 10908 B17R2.41893 Cc1ccncc1SCc2cccc(c2)Br 62a_100000211773_100000761580 [0,2,0,0,0,0|2,0,0]=4 10909 B17R2.41893 Cc1ccncc1SCc2cccc(c2)Br 62a_100000761580_100000211773 [0,2,0,0,0,0|2,0,0]=4 10910 B17R2.41893 Cc1ccncc1SCc2cccc(c2)Cl 62a_100000187163_100000761580 [0,2,0,0,0,0|2,0,0]=4 10911 B17R2.41893 Cc1ccncc1SCc2cccc(c2)Cl 62a_100000761580_100000187163 [0,2,0,0,0,0|2,0,0]=4 10912 B17R2.41893 Cc1ccncc1SCc2cccc(c2)F 62a_100000230114_100000761580 [0,2,0,0,0,0|2,0,0]=4 10913 B17R2.41893 Cc1ccncc1SCc2cccc(c2)F 62a_100000761580_100000230114 [0,2,0,0,0,0|2,0,0]=4 10914 B17R2.41893 Cc1ccncc1SCc2cccc(c2)I 62a_100000761580_100011218688 [0,2,0,0,0,0|2,0,0]=4 10915 B17R2.41893 Cc1ccncc1SCc2cccc(c2)I 62a_100011218688_100000761580 [0,2,0,0,0,0|2,0,0]=4 10916 B17R2.41893 Cc1ccncc1SCc2cccc(c2)O 62a_100000761580_100011660834 [0,2,0,0,0,0|2,0,0]=4 10917 B17R2.41893 Cc1ccncc1SCc2cccc(c2)O 62a_100011660834_100000761580 [0,2,0,0,0,0|2,0,0]=4 10918 B17R2.41893 Cc1cncc(c1)CSc2ccccc2Br 62a_100000695589_100000716715 [0,2,0,0,0,0|2,0,0]=4 10919 B17R2.41893 Cc1cncc(c1)CSc2ccccc2Br 62a_100000716715_100000695589 [0,2,0,0,0,0|2,0,0]=4 10920 B17R2.41893 Cc1cncc(c1)CSc2ccccc2C 62a_100000210755_100000716715 [0,2,0,0,0,0|2,0,0]=4 10921 B17R2.41893 Cc1cncc(c1)CSc2ccccc2C 62a_100000716715_100000210755 [0,2,0,0,0,0|2,0,0]=4 10922 B17R2.41893 Cc1cncc(c1)CSc2ccccc2Cl 62a_100000716715_100000764095 [0,2,0,0,0,0|2,0,0]=4 10923 B17R2.41893 Cc1cncc(c1)CSc2ccccc2Cl 62a_100000764095_100000716715 [0,2,0,0,0,0|2,0,0]=4 10924 B17R2.41893 Cc1cncc(c1)CSc2ccccc2F 62a_100000716715_100011215700 [0,2,0,0,0,0|2,0,0]=4 10925 B17R2.41893 Cc1cncc(c1)CSc2ccccc2F 62a_100011215700_100000716715 [0,2,0,0,0,0|2,0,0]=4 10926 B17R2.41893 Cc1cncc(c1)CSc2ccccc2N 62a_100000210017_100000716715 [0,2,0,0,0,0|2,0,0]=4 10927 B17R2.41893 Cc1cncc(c1)CSc2ccccc2N 62a_100000716715_100000210017 [0,2,0,0,0,0|2,0,0]=4 10928 B17R2.41893 Cc1cncc(c1)CSc2ccccc2O 62a_100000716715_100000739446 [0,2,0,0,0,0|2,0,0]=4 10929 B17R2.41893 Cc1cncc(c1)CSc2ccccc2O 62a_100000739446_100000716715 [0,2,0,0,0,0|2,0,0]=4 10930 B17R2.41893 Cc1cncc(c1)SCc2ccccc2Br 62a_100000184730_100000760492 [0,2,0,0,0,0|2,0,0]=4 10931 B17R2.41893 Cc1cncc(c1)SCc2ccccc2Br 62a_100000760492_100000184730 [0,2,0,0,0,0|2,0,0]=4 10932 B17R2.41893 Cc1cncc(c1)SCc2ccccc2C 62a_100000211839_100000760492 [0,2,0,0,0,0|2,0,0]=4 10933 B17R2.41893 Cc1cncc(c1)SCc2ccccc2C 62a_100000760492_100000211839 [0,2,0,0,0,0|2,0,0]=4 10934 B17R2.41893 Cc1cncc(c1)SCc2ccccc2Cl 62a_100000187162_100000760492 [0,2,0,0,0,0|2,0,0]=4 10935 B17R2.41893 Cc1cncc(c1)SCc2ccccc2Cl 62a_100000760492_100000187162 [0,2,0,0,0,0|2,0,0]=4 10936 B17R2.41893 Cc1cncc(c1)SCc2ccccc2F 62a_100000211605_100000760492 [0,2,0,0,0,0|2,0,0]=4 10937 B17R2.41893 Cc1cncc(c1)SCc2ccccc2F 62a_100000760492_100000211605 [0,2,0,0,0,0|2,0,0]=4 10938 B17R2.41893 Cc1cncc(c1)SCc2ccccc2I 62a_100000760492_100011216222 [0,2,0,0,0,0|2,0,0]=4 10939 B17R2.41893 Cc1cncc(c1)SCc2ccccc2I 62a_100011216222_100000760492 [0,2,0,0,0,0|2,0,0]=4 10940 B17R2.41893 Cc1cnccc1CSc2cccc(c2)Br 62a_100000691529_100020672808 [0,2,0,0,0,0|2,0,0]=4 10941 B17R2.41893 Cc1cnccc1CSc2cccc(c2)Br 62a_100020672808_100000691529 [0,2,0,0,0,0|2,0,0]=4 10942 B17R2.41893 Cc1cnccc1CSc2cccc(c2)Cl 62a_100000699651_100020672808 [0,2,0,0,0,0|2,0,0]=4 10943 B17R2.41893 Cc1cnccc1CSc2cccc(c2)Cl 62a_100020672808_100000699651 [0,2,0,0,0,0|2,0,0]=4 10944 B17R2.41893 Cc1cnccc1CSc2cccc(c2)F 62a_100000685547_100020672808 [0,2,0,0,0,0|2,0,0]=4 10945 B17R2.41893 Cc1cnccc1CSc2cccc(c2)F 62a_100020672808_100000685547 [0,2,0,0,0,0|2,0,0]=4 10946 B17R2.41893 Cc1cnccc1CSc2cccc(c2)N 62a_100000210019_100020672808 [0,2,0,0,0,0|2,0,0]=4 10947 B17R2.41893 Cc1cnccc1CSc2cccc(c2)N 62a_100020672808_100000210019 [0,2,0,0,0,0|2,0,0]=4 10948 B17R2.41893 Cc1cnccc1CSc2cccc(c2)O 62a_100020672808_100000211634 [0,2,0,0,0,0|2,0,0]=4 10949 B17R2.41893 Cc1cnccc1CSc2cccc(c2)[S] 62a_100020672808_114929384022 [0,2,0,0,0,0|2,0,0]=4 10950 B17R2.41893 Cc1cnccc1CSc2cccc(c2)[S] 62a_114929384022_100020672808 [0,2,0,0,0,0|2,0,0]=4 10951 B17R2.41893 Cc1cnccc1SCc2cccc(c2)Br 62a_100000211773_100000765111 [0,2,0,0,0,0|2,0,0]=4 10952 B17R2.41893 Cc1cnccc1SCc2cccc(c2)Br 62a_100000765111_100000211773 [0,2,0,0,0,0|2,0,0]=4 10953 B17R2.41893 Cc1cnccc1SCc2cccc(c2)Cl 62a_100000187163_100000765111 [0,2,0,0,0,0|2,0,0]=4 10954 B17R2.41893 Cc1cnccc1SCc2cccc(c2)Cl 62a_100000765111_100000187163 [0,2,0,0,0,0|2,0,0]=4 10955 B17R2.41893 Cc1cnccc1SCc2cccc(c2)F 62a_100000230114_100000765111 [0,2,0,0,0,0|2,0,0]=4 10956 B17R2.41893 Cc1cnccc1SCc2cccc(c2)F 62a_100000765111_100000230114 [0,2,0,0,0,0|2,0,0]=4 10957 B17R2.41893 Cc1cnccc1SCc2cccc(c2)I 62a_100000765111_100011218688 [0,2,0,0,0,0|2,0,0]=4 10958 B17R2.41893 Cc1cnccc1SCc2cccc(c2)I 62a_100011218688_100000765111 [0,2,0,0,0,0|2,0,0]=4 10959 B17R2.41893 Cc1cnccc1SCc2cccc(c2)O 62a_100000765111_100011660834 [0,2,0,0,0,0|2,0,0]=4 10960 B17R2.41893 Cc1cnccc1SCc2cccc(c2)O 62a_100011660834_100000765111 [0,2,0,0,0,0|2,0,0]=4 10961 B17R2.41893 Cc1ncccc1CSc2cccc(c2)Br 62a_100000691529_100000732876 [0,2,0,0,0,0|2,0,0]=4 10962 B17R2.41893 Cc1ncccc1CSc2cccc(c2)Br 62a_100000732876_100000691529 [0,2,0,0,0,0|2,0,0]=4 10963 B17R2.41893 Cc1ncccc1CSc2cccc(c2)Cl 62a_100000699651_100000732876 [0,2,0,0,0,0|2,0,0]=4 10964 B17R2.41893 Cc1ncccc1CSc2cccc(c2)Cl 62a_100000732876_100000699651 [0,2,0,0,0,0|2,0,0]=4 10965 B17R2.41893 Cc1ncccc1CSc2cccc(c2)F 62a_100000685547_100000732876 [0,2,0,0,0,0|2,0,0]=4 10966 B17R2.41893 Cc1ncccc1CSc2cccc(c2)F 62a_100000732876_100000685547 [0,2,0,0,0,0|2,0,0]=4 10967 B17R2.41893 Cc1ncccc1CSc2cccc(c2)N 62a_100000210019_100000732876 [0,2,0,0,0,0|2,0,0]=4 10968 B17R2.41893 Cc1ncccc1CSc2cccc(c2)N 62a_100000732876_100000210019 [0,2,0,0,0,0|2,0,0]=4 10969 B17R2.41893 Cc1ncccc1CSc2cccc(c2)O 62a_100000732876_100000211634 [0,2,0,0,0,0|2,0,0]=4 10970 B17R2.41893 Cc1ncccc1CSc2cccc(c2)[S] 62a_100000732876_114929384022 [0,2,0,0,0,0|2,0,0]=4 10971 B17R2.41893 Cc1ncccc1CSc2cccc(c2)[S] 62a_114929384022_100000732876 [0,2,0,0,0,0|2,0,0]=4 10972 B17R2.41893 Cc1ncccc1SCc2cccc(c2)Br 62a_100000211773_100000751574 [0,2,0,0,0,0|2,0,0]=4 10973 B17R2.41893 Cc1ncccc1SCc2cccc(c2)Br 62a_100000751574_100000211773 [0,2,0,0,0,0|2,0,0]=4 10974 B17R2.41893 Cc1ncccc1SCc2cccc(c2)Cl 62a_100000187163_100000751574 [0,2,0,0,0,0|2,0,0]=4 10975 B17R2.41893 Cc1ncccc1SCc2cccc(c2)Cl 62a_100000751574_100000187163 [0,2,0,0,0,0|2,0,0]=4 10976 B17R2.41893 Cc1ncccc1SCc2cccc(c2)F 62a_100000230114_100000751574 [0,2,0,0,0,0|2,0,0]=4 10977 B17R2.41893 Cc1ncccc1SCc2cccc(c2)F 62a_100000751574_100000230114 [0,2,0,0,0,0|2,0,0]=4 10978 B17R2.41893 Cc1ncccc1SCc2cccc(c2)I 62a_100000751574_100011218688 [0,2,0,0,0,0|2,0,0]=4 10979 B17R2.41893 Cc1ncccc1SCc2cccc(c2)I 62a_100011218688_100000751574 [0,2,0,0,0,0|2,0,0]=4 10980 B17R2.41893 Cc1ncccc1SCc2cccc(c2)O 62a_100000751574_100011660834 [0,2,0,0,0,0|2,0,0]=4 10981 B17R2.41893 Cc1ncccc1SCc2cccc(c2)O 62a_100011660834_100000751574 [0,2,0,0,0,0|2,0,0]=4 10982 B17R2.41893 Clc1cc(ccn1)CSc2ccccc2Br 62a_100000695589_100000764220 [0,2,0,0,0,0|2,0,0]=4 10983 B17R2.41893 Clc1cc(ccn1)CSc2ccccc2Br 62a_100000764220_100000695589 [0,2,0,0,0,0|2,0,0]=4 10984 B17R2.41893 Clc1cc(ccn1)CSc2ccccc2Cl 62a_100000764095_100000764220 [0,2,0,0,0,0|2,0,0]=4 10985 B17R2.41893 Clc1cc(ccn1)CSc2ccccc2Cl 62a_100000764220_100000764095 [0,2,0,0,0,0|2,0,0]=4 10986 B17R2.41893 Clc1cc(ccn1)SCc2ccccc2Br 62a_100000035001_100000184730 [0,2,0,0,0,0|2,0,0]=4 10987 B17R2.41893 Clc1cc(ccn1)SCc2ccccc2Br 62a_100000184730_100000035001 [0,2,0,0,0,0|2,0,0]=4 10988 B17R2.41893 Clc1cc(ccn1)SCc2ccccc2Cl 62a_100000035001_100000187162 [0,2,0,0,0,0|2,0,0]=4 10989 B17R2.41893 Clc1cc(ccn1)SCc2ccccc2Cl 62a_100000187162_100000035001 [0,2,0,0,0,0|2,0,0]=4 10990 B17R2.41893 Clc1cc(ccn1)SCc2ccccc2I 62a_100000035001_100011216222 [0,2,0,0,0,0|2,0,0]=4 10991 B17R2.41893 Clc1cc(ccn1)SCc2ccccc2I 62a_100011216222_100000035001 [0,2,0,0,0,0|2,0,0]=4 10992 B17R2.41893 Clc1cccc(c1)C=Cc2ccccc2Br 271570a_100102525933_100000695589 [0,2,0,0,0,0|2,0,0]=4 10993 B17R2.41893 Clc1cccc(c1)C=Cc2ccccc2Cl 271570a_100102525933_100000764095 [0,2,0,0,0,0|2,0,0]=4 10994 B17R2.41893 Clc1cccc(c1)CNc2ccccc2Br 207a_100000210017_100000210801 [0,2,0,0,0,0|2,0,0]=4 10995 B17R2.41893 Clc1cccc(c1)CNc2ccccc2Br 34a_100000210017_100000187163 [0,2,0,0,0,0|2,0,0]=4 10996 B17R2.41893 Clc1cccc(c1)CNc2ccccc2Cl 207a_100000185783_100000210801 [0,2,0,0,0,0|2,0,0]=4 10997 B17R2.41893 Clc1cccc(c1)CNc2ccccc2Cl 34a_100000185783_100000187163 [0,2,0,0,0,0|2,0,0]=4 10998 B17R2.41893 Clc1cccc(c1)CNc2ccccc2I 207a_100000210053_100000210801 [0,2,0,0,0,0|2,0,0]=4 10999 B17R2.41893 Clc1cccc(c1)CNc2ccccc2I 34a_100000210053_100000187163 [0,2,0,0,0,0|2,0,0]=4 11000 B17R2.41893 Clc1cccc(c1)COc2ccccc2Br 34a_100000181306_100000187163 [0,2,0,0,0,0|1,1,0]=4 11001 B17R2.41893 Clc1cccc(c1)COc2ccccc2Br 7a_100000181306_100000187163 [0,2,0,0,0,0|1,1,0]=4 11002 B17R2.41893 Clc1cccc(c1)COc2ccccc2Cl 34a_100000210172_100000187163 [0,2,0,0,0,0|1,1,0]=4 11003 B17R2.41893 Clc1cccc(c1)COc2ccccc2Cl 7a_100000210172_100000187163 [0,2,0,0,0,0|1,1,0]=4 11004 B17R2.41893 Clc1cccc(c1)COc2ccccc2I 34a_100000739446_100000187163 [0,2,0,0,0,0|1,1,0]=4 11005 B17R2.41893 Clc1cccc(c1)COc2ccccc2I 7a_100000739446_100000187163 [0,2,0,0,0,0|1,1,0]=4 11006 B17R2.41893 Clc1cccc(c1)CSc2ccccc2Br 62a_100000187163_100000695589 [0,2,0,0,0,0|1,0,0]=3 11007 B17R2.41893 Clc1cccc(c1)CSc2ccccc2Br 62a_100000695589_100000187163 [0,2,0,0,0,0|1,0,0]=3 11008 B17R2.41893 Clc1cccc(c1)CSc2ccccc2Cl 62a_100000187163_100000764095 [0,2,0,0,0,0|1,0,0]=3 11009 B17R2.41893 Clc1cccc(c1)CSc2ccccc2Cl 62a_100000764095_100000187163 [0,2,0,0,0,0|1,0,0]=3 11010 B17R2.41893 Clc1cccc(c1)CSc2cccnc2Br 62a_100000187163_100010202626 [0,2,0,0,0,0|2,0,0]=4 11011 B17R2.41893 Clc1cccc(c1)CSc2cccnc2Br 62a_100010202626_100000187163 [0,2,0,0,0,0|2,0,0]=4 11012 B17R2.41893 Clc1cccc(c1)CSc2cccnc2Cl 62a_100000036424_100000187163 [0,2,0,0,0,0|2,0,0]=4 11013 B17R2.41893 Clc1cccc(c1)CSc2cccnc2Cl 62a_100000187163_100000036424 [0,2,0,0,0,0|2,0,0]=4 11014 B17R2.41893 Clc1cccc(c1)CSc2ccncc2Br 62a_100000187163_100000726257 [0,2,0,0,0,0|2,0,0]=4 11015 B17R2.41893 Clc1cccc(c1)CSc2ccncc2Br 62a_100000726257_100000187163 [0,2,0,0,0,0|2,0,0]=4 11016 B17R2.41893 Clc1cccc(c1)CSc2ccncc2Cl 62a_100000187163_100000708259 [0,2,0,0,0,0|2,0,0]=4 11017 B17R2.41893 Clc1cccc(c1)CSc2ccncc2Cl 62a_100000708259_100000187163 [0,2,0,0,0,0|2,0,0]=4 11018 B17R2.41893 Clc1cccc(c1)CSc2cnccc2Br 62a_100000187163_100010138639 [0,2,0,0,0,0|2,0,0]=4 11019 B17R2.41893 Clc1cccc(c1)CSc2cnccc2Br 62a_100010138639_100000187163 [0,2,0,0,0,0|2,0,0]=4 11020 B17R2.41893 Clc1cccc(c1)CSc2cnccc2Cl 62a_100000187163_100009995489 [0,2,0,0,0,0|2,0,0]=4 11021 B17R2.41893 Clc1cccc(c1)CSc2cnccc2Cl 62a_100009995489_100000187163 [0,2,0,0,0,0|2,0,0]=4 11022 B17R2.41893 Clc1cccc(c1)CSc2ncccc2Br 62a_100000187163_100000696092 [0,2,0,0,0,0|2,0,0]=4 11023 B17R2.41893 Clc1cccc(c1)CSc2ncccc2Br 62a_100000696092_100000187163 [0,2,0,0,0,0|2,0,0]=4 11024 B17R2.41893 Clc1cccc(c1)CSc2ncccc2Cl 62a_100000187163_100011356963 [0,2,0,0,0,0|2,0,0]=4 11025 B17R2.41893 Clc1cccc(c1)CSc2ncccc2Cl 62a_100011356963_100000187163 [0,2,0,0,0,0|2,0,0]=4 11026 B17R2.41893 Clc1cccc(c1)NCc2ccccc2Br 207a_100000185859_100000211189 [0,2,0,0,0,0|2,0,0]=4 11027 B17R2.41893 Clc1cccc(c1)NCc2ccccc2Br 270302a_100000185859_100000211189 [0,2,0,0,0,0|2,0,0]=4 11028 B17R2.41893 Clc1cccc(c1)NCc2ccccc2Br 34a_100000185859_100000184730 [0,2,0,0,0,0|2,0,0]=4 11029 B17R2.41893 Clc1cccc(c1)NCc2ccccc2Cl 207a_100000185859_100000210073 [0,2,0,0,0,0|2,0,0]=4 11030 B17R2.41893 Clc1cccc(c1)NCc2ccccc2Cl 270302a_100000185859_100000210073 [0,2,0,0,0,0|2,0,0]=4 11031 B17R2.41893 Clc1cccc(c1)NCc2ccccc2Cl 34a_100000185859_100000187162 [0,2,0,0,0,0|2,0,0]=4 11032 B17R2.41893 Clc1cccc(c1)NCc2ccccc2I 207a_100000185859_100000010305 [0,2,0,0,0,0|2,0,0]=4 11033 B17R2.41893 Clc1cccc(c1)NCc2ccccc2I 34a_100000185859_100011215278 [0,2,0,0,0,0|2,0,0]=4 11034 B17R2.41893 Clc1cccc(c1)OCc2ccccc2Br 34a_100000210295_100000184730 [0,2,0,0,0,0|1,1,0]=4 11035 B17R2.41893 Clc1cccc(c1)OCc2ccccc2Br 7a_100000210295_100000184730 [0,2,0,0,0,0|1,1,0]=4 11036 B17R2.41893 Clc1cccc(c1)OCc2ccccc2Cl 34a_100000210295_100000187162 [0,2,0,0,0,0|1,1,0]=4 11037 B17R2.41893 Clc1cccc(c1)OCc2ccccc2Cl 7a_100000210295_100000187162 [0,2,0,0,0,0|1,1,0]=4 11038 B17R2.41893 Clc1cccc(c1)OCc2ccccc2I 34a_100000210295_100011215278 [0,2,0,0,0,0|1,1,0]=4 11039 B17R2.41893 Clc1cccc(c1)OCc2ccccc2I 7a_100000210295_100011215278 [0,2,0,0,0,0|1,1,0]=4 11040 B17R2.41893 Clc1cccc(c1)SCc2ccccc2Br 62a_100000184730_100000699651 [0,2,0,0,0,0|1,0,0]=3 11041 B17R2.41893 Clc1cccc(c1)SCc2ccccc2Br 62a_100000699651_100000184730 [0,2,0,0,0,0|1,0,0]=3 11042 B17R2.41893 Clc1cccc(c1)SCc2ccccc2Cl 62a_100000187162_100000699651 [0,2,0,0,0,0|1,0,0]=3 11043 B17R2.41893 Clc1cccc(c1)SCc2ccccc2Cl 62a_100000699651_100000187162 [0,2,0,0,0,0|1,0,0]=3 11044 B17R2.41893 Clc1cccc(c1)SCc2ccccc2I 62a_100000699651_100011216222 [0,2,0,0,0,0|1,0,0]=3 11045 B17R2.41893 Clc1cccc(c1)SCc2ccccc2I 62a_100011216222_100000699651 [0,2,0,0,0,0|1,0,0]=3 11046 B17R2.41893 Clc1cccc(c1)SCc2cccnc2Br 62a_100000699651_100010140945 [0,2,0,0,0,0|2,0,0]=4 11047 B17R2.41893 Clc1cccc(c1)SCc2cccnc2Br 62a_100010140945_100000699651 [0,2,0,0,0,0|2,0,0]=4 11048 B17R2.41893 Clc1cccc(c1)SCc2cccnc2Cl 62a_100000045678_100000699651 [0,2,0,0,0,0|2,0,0]=4 11049 B17R2.41893 Clc1cccc(c1)SCc2cccnc2Cl 62a_100000699651_100000045678 [0,2,0,0,0,0|2,0,0]=4 11050 B17R2.41893 Clc1cccc(c1)SCc2ccncc2Cl 62a_100000699651_100000763264 [0,2,0,0,0,0|2,0,0]=4 11051 B17R2.41893 Clc1cccc(c1)SCc2ccncc2Cl 62a_100000763264_100000699651 [0,2,0,0,0,0|2,0,0]=4 11052 B17R2.41893 Clc1cccc(c1)SCc2ncccc2Br 62a_100000699651_100025702911 [0,2,0,0,0,0|2,0,0]=4 11053 B17R2.41893 Clc1cccc(c1)SCc2ncccc2Br 62a_100025702911_100000699651 [0,2,0,0,0,0|2,0,0]=4 11054 B17R2.41893 Clc1cccc(c1)SCc2ncccc2Cl 62a_100000099807_100000699651 [0,2,0,0,0,0|2,0,0]=4 11055 B17R2.41893 Clc1cccc(c1)SCc2ncccc2Cl 62a_100000699651_100000099807 [0,2,0,0,0,0|2,0,0]=4 11056 B17R2.41893 Clc1cccc(n1)CSc2ccccc2Br 62a_100000086093_100000695589 [0,2,0,0,0,0|2,0,0]=4 11057 B17R2.41893 Clc1cccc(n1)CSc2ccccc2Br 62a_100000695589_100000086093 [0,2,0,0,0,0|2,0,0]=4 11058 B17R2.41893 Clc1cccc(n1)CSc2ccccc2Cl 62a_100000086093_100000764095 [0,2,0,0,0,0|2,0,0]=4 11059 B17R2.41893 Clc1cccc(n1)CSc2ccccc2Cl 62a_100000764095_100000086093 [0,2,0,0,0,0|2,0,0]=4 11060 B17R2.41893 Clc1cccc(n1)SCc2ccccc2Br 62a_100000051397_100000184730 [0,2,0,0,0,0|2,0,0]=4 11061 B17R2.41893 Clc1cccc(n1)SCc2ccccc2Br 62a_100000184730_100000051397 [0,2,0,0,0,0|2,0,0]=4 11062 B17R2.41893 Clc1cccc(n1)SCc2ccccc2Cl 62a_100000051397_100000187162 [0,2,0,0,0,0|2,0,0]=4 11063 B17R2.41893 Clc1cccc(n1)SCc2ccccc2Cl 62a_100000187162_100000051397 [0,2,0,0,0,0|2,0,0]=4 11064 B17R2.41893 Clc1cccc(n1)SCc2ccccc2I 62a_100000051397_100011216222 [0,2,0,0,0,0|2,0,0]=4 11065 B17R2.41893 Clc1cccc(n1)SCc2ccccc2I 62a_100011216222_100000051397 [0,2,0,0,0,0|2,0,0]=4 11066 B17R2.41893 Clc1ccccc1CNc2cccc(c2)Br 207a_100000210019_100000210073 [0,2,0,0,0,0|2,0,0]=4 11067 B17R2.41893 Clc1ccccc1CNc2cccc(c2)Br 270302a_100000210019_100000210073 [0,2,0,0,0,0|2,0,0]=4 11068 B17R2.41893 Clc1ccccc1CNc2cccc(c2)Br 34a_100000210019_100000187162 [0,2,0,0,0,0|2,0,0]=4 11069 B17R2.41893 Clc1ccccc1CNc2cccc(c2)I 207a_100000211102_100000210073 [0,2,0,0,0,0|2,0,0]=4 11070 B17R2.41893 Clc1ccccc1CNc2cccc(c2)I 270302a_100000211102_100000210073 [0,2,0,0,0,0|2,0,0]=4 11071 B17R2.41893 Clc1ccccc1CNc2cccc(c2)I 34a_100000211102_100000187162 [0,2,0,0,0,0|2,0,0]=4 11072 B17R2.41893 Clc1ccccc1COc2cccc(c2)Br 34a_100000210342_100000187162 [0,2,0,0,0,0|1,1,0]=4 11073 B17R2.41893 Clc1ccccc1COc2cccc(c2)Br 7a_100000210342_100000187162 [0,2,0,0,0,0|1,1,0]=4 11074 B17R2.41893 Clc1ccccc1COc2cccc(c2)I 34a_100000211634_100000187162 [0,2,0,0,0,0|1,1,0]=4 11075 B17R2.41893 Clc1ccccc1COc2cccc(c2)I 7a_100000211634_100000187162 [0,2,0,0,0,0|1,1,0]=4 11076 B17R2.41893 Clc1ccccc1CSc2cccc(c2)Br 62a_100000187162_100000691529 [0,2,0,0,0,0|1,0,0]=3 11077 B17R2.41893 Clc1ccccc1CSc2cccc(c2)Br 62a_100000691529_100000187162 [0,2,0,0,0,0|1,0,0]=3 11078 B17R2.41893 Clc1ccccc1CSc2cccc(n2)Br 62a_100000187162_100000684672 [0,2,0,0,0,0|2,0,0]=4 11079 B17R2.41893 Clc1ccccc1CSc2cccc(n2)Br 62a_100000684672_100000187162 [0,2,0,0,0,0|2,0,0]=4 11080 B17R2.41893 Clc1ccccc1CSc2ccnc(c2)Br 62a_100000187162_100009814637 [0,2,0,0,0,0|2,0,0]=4 11081 B17R2.41893 Clc1ccccc1CSc2ccnc(c2)Br 62a_100009814637_100000187162 [0,2,0,0,0,0|2,0,0]=4 11082 B17R2.41893 Clc1ccccc1CSc2cncc(c2)Br 62a_100000187162_100000728054 [0,2,0,0,0,0|2,0,0]=4 11083 B17R2.41893 Clc1ccccc1CSc2cncc(c2)Br 62a_100000728054_100000187162 [0,2,0,0,0,0|2,0,0]=4 11084 B17R2.41893 Clc1ccccc1NCc2cccc(c2)Br 207a_100000185783_100000210085 [0,2,0,0,0,0|2,0,0]=4 11085 B17R2.41893 Clc1ccccc1NCc2cccc(c2)Br 34a_100000185783_100000698116 [0,2,0,0,0,0|2,0,0]=4 11086 B17R2.41893 Clc1ccccc1NCc2cccc(c2)I 207a_100000185783_100000014684 [0,2,0,0,0,0|2,0,0]=4 11087 B17R2.41893 Clc1ccccc1NCc2cccc(c2)I 34a_100000185783_100011218688 [0,2,0,0,0,0|2,0,0]=4 11088 B17R2.41893 Clc1ccccc1OCc2cccc(c2)Br 34a_100000210172_100000698116 [0,2,0,0,0,0|1,1,0]=4 11089 B17R2.41893 Clc1ccccc1OCc2cccc(c2)Br 7a_100000210172_100000211773 [0,2,0,0,0,0|1,1,0]=4 11090 B17R2.41893 Clc1ccccc1OCc2cccc(c2)I 34a_100000210172_100011218688 [0,2,0,0,0,0|1,1,0]=4 11091 B17R2.41893 Clc1ccccc1OCc2cccc(c2)I 7a_100000210172_100011218688 [0,2,0,0,0,0|1,1,0]=4 11092 B17R2.41893 Clc1ccccc1SCc2cc(ccn2)Br 62a_100000764095_100010173614 [0,2,0,0,0,0|2,0,0]=4 11093 B17R2.41893 Clc1ccccc1SCc2cc(ccn2)Br 62a_100010173614_100000764095 [0,2,0,0,0,0|2,0,0]=4 11094 B17R2.41893 Clc1ccccc1SCc2cccc(c2)Br 62a_100000211773_100000764095 [0,2,0,0,0,0|1,0,0]=3 11095 B17R2.41893 Clc1ccccc1SCc2cccc(c2)Br 62a_100000764095_100000211773 [0,2,0,0,0,0|1,0,0]=3 11096 B17R2.41893 Clc1ccccc1SCc2cccc(c2)I 62a_100000764095_100011218688 [0,2,0,0,0,0|1,0,0]=3 11097 B17R2.41893 Clc1ccccc1SCc2cccc(c2)I 62a_100011218688_100000764095 [0,2,0,0,0,0|1,0,0]=3 11098 B17R2.41893 Clc1ccccc1SCc2cccc(n2)Br 62a_100000764095_100009889011 [0,2,0,0,0,0|2,0,0]=4 11099 B17R2.41893 Clc1ccccc1SCc2cccc(n2)Br 62a_100009889011_100000764095 [0,2,0,0,0,0|2,0,0]=4 11100 B17R2.41893 Clc1ccccc1SCc2ccnc(c2)Br 62a_100000764095_100010243470 [0,2,0,0,0,0|2,0,0]=4 11101 B17R2.41893 Clc1ccccc1SCc2ccnc(c2)Br 62a_100010254460_100000764095 [0,2,0,0,0,0|2,0,0]=4 11102 B17R2.41893 Clc1ccccc1SCc2cncc(c2)Br 62a_100000738771_100000764095 [0,2,0,0,0,0|2,0,0]=4 11103 B17R2.41893 Clc1ccccc1SCc2cncc(c2)Br 62a_100000764095_100000738771 [0,2,0,0,0,0|2,0,0]=4 11104 B17R2.41893 Clc1cccnc1CSc2cccc(c2)Br 62a_100000099807_100000691529 [0,2,0,0,0,0|2,0,0]=4 11105 B17R2.41893 Clc1cccnc1CSc2cccc(c2)Br 62a_100000691529_100000099807 [0,2,0,0,0,0|2,0,0]=4 11106 B17R2.41893 Clc1cccnc1SCc2cccc(c2)Br 62a_100000211773_100011356963 [0,2,0,0,0,0|2,0,0]=4 11107 B17R2.41893 Clc1cccnc1SCc2cccc(c2)Br 62a_100011356963_100000211773 [0,2,0,0,0,0|2,0,0]=4 11108 B17R2.41893 Clc1cccnc1SCc2cccc(c2)I 62a_100011218688_100011356963 [0,2,0,0,0,0|2,0,0]=4 11109 B17R2.41893 Clc1cccnc1SCc2cccc(c2)I 62a_100011356963_100011218688 [0,2,0,0,0,0|2,0,0]=4 11110 B17R2.41893 Clc1ccnc(c1)CSc2ccccc2Br 62a_100000695589_100016988179 [0,2,0,0,0,0|2,0,0]=4 11111 B17R2.41893 Clc1ccnc(c1)CSc2ccccc2Br 62a_100016988179_100000695589 [0,2,0,0,0,0|2,0,0]=4 11112 B17R2.41893 Clc1ccnc(c1)CSc2ccccc2Cl 62a_100000764095_100016988179 [0,2,0,0,0,0|2,0,0]=4 11113 B17R2.41893 Clc1ccnc(c1)CSc2ccccc2Cl 62a_100016988179_100000764095 [0,2,0,0,0,0|2,0,0]=4 11114 B17R2.41893 Clc1ccnc(c1)SCc2ccccc2Br 62a_100000184730_100010167805 [0,2,0,0,0,0|2,0,0]=4 11115 B17R2.41893 Clc1ccnc(c1)SCc2ccccc2Br 62a_100010167805_100000184730 [0,2,0,0,0,0|2,0,0]=4 11116 B17R2.41893 Clc1ccnc(c1)SCc2ccccc2Cl 62a_100000187162_100010167805 [0,2,0,0,0,0|2,0,0]=4 11117 B17R2.41893 Clc1ccnc(c1)SCc2ccccc2Cl 62a_100010167805_100000187162 [0,2,0,0,0,0|2,0,0]=4 11118 B17R2.41893 Clc1ccnc(c1)SCc2ccccc2I 62a_100010167805_100011216222 [0,2,0,0,0,0|2,0,0]=4 11119 B17R2.41893 Clc1ccnc(c1)SCc2ccccc2I 62a_100011216222_100010167805 [0,2,0,0,0,0|2,0,0]=4 11120 B17R2.41893 Clc1ccncc1SCc2cccc(c2)Br 62a_100000211773_100009995489 [0,2,0,0,0,0|2,0,0]=4 11121 B17R2.41893 Clc1ccncc1SCc2cccc(c2)Br 62a_100009995489_100000211773 [0,2,0,0,0,0|2,0,0]=4 11122 B17R2.41893 Clc1ccncc1SCc2cccc(c2)I 62a_100009995489_100011218688 [0,2,0,0,0,0|2,0,0]=4 11123 B17R2.41893 Clc1ccncc1SCc2cccc(c2)I 62a_100011218688_100009995489 [0,2,0,0,0,0|2,0,0]=4 11124 B17R2.41893 Clc1cncc(c1)CSc2ccccc2Br 62a_100000695589_100016992070 [0,2,0,0,0,0|2,0,0]=4 11125 B17R2.41893 Clc1cncc(c1)CSc2ccccc2Br 62a_100016992070_100000695589 [0,2,0,0,0,0|2,0,0]=4 11126 B17R2.41893 Clc1cncc(c1)CSc2ccccc2Cl 62a_100000764095_100016992070 [0,2,0,0,0,0|2,0,0]=4 11127 B17R2.41893 Clc1cncc(c1)CSc2ccccc2Cl 62a_100016992070_100000764095 [0,2,0,0,0,0|2,0,0]=4 11128 B17R2.41893 Clc1cncc(c1)SCc2ccccc2Br 62a_100000049639_100000184730 [0,2,0,0,0,0|2,0,0]=4 11129 B17R2.41893 Clc1cncc(c1)SCc2ccccc2Br 62a_100000184730_100000049639 [0,2,0,0,0,0|2,0,0]=4 11130 B17R2.41893 Clc1cncc(c1)SCc2ccccc2Cl 62a_100000049639_100000187162 [0,2,0,0,0,0|2,0,0]=4 11131 B17R2.41893 Clc1cncc(c1)SCc2ccccc2Cl 62a_100000187162_100000049639 [0,2,0,0,0,0|2,0,0]=4 11132 B17R2.41893 Clc1cncc(c1)SCc2ccccc2I 62a_100000049639_100011216222 [0,2,0,0,0,0|2,0,0]=4 11133 B17R2.41893 Clc1cncc(c1)SCc2ccccc2I 62a_100011216222_100000049639 [0,2,0,0,0,0|2,0,0]=4 11134 B17R2.41893 Clc1cnccc1CSc2cccc(c2)Br 62a_100000691529_100000763264 [0,2,0,0,0,0|2,0,0]=4 11135 B17R2.41893 Clc1cnccc1CSc2cccc(c2)Br 62a_100000763264_100000691529 [0,2,0,0,0,0|2,0,0]=4 11136 B17R2.41893 Clc1cnccc1SCc2cccc(c2)Br 62a_100000211773_100000708259 [0,2,0,0,0,0|2,0,0]=4 11137 B17R2.41893 Clc1cnccc1SCc2cccc(c2)Br 62a_100000708259_100000211773 [0,2,0,0,0,0|2,0,0]=4 11138 B17R2.41893 Clc1cnccc1SCc2cccc(c2)I 62a_100000708259_100011218688 [0,2,0,0,0,0|2,0,0]=4 11139 B17R2.41893 Clc1cnccc1SCc2cccc(c2)I 62a_100011218688_100000708259 [0,2,0,0,0,0|2,0,0]=4 11140 B17R2.41893 Clc1ncccc1CSc2cccc(c2)Br 62a_100000045678_100000691529 [0,2,0,0,0,0|2,0,0]=4 11141 B17R2.41893 Clc1ncccc1CSc2cccc(c2)Br 62a_100000691529_100000045678 [0,2,0,0,0,0|2,0,0]=4 11142 B17R2.41893 Clc1ncccc1SCc2cccc(c2)Br 62a_100000036424_100000211773 [0,2,0,0,0,0|2,0,0]=4 11143 B17R2.41893 Clc1ncccc1SCc2cccc(c2)Br 62a_100000211773_100000036424 [0,2,0,0,0,0|2,0,0]=4 11144 B17R2.41893 Clc1ncccc1SCc2cccc(c2)I 62a_100000036424_100011218688 [0,2,0,0,0,0|2,0,0]=4 11145 B17R2.41893 Clc1ncccc1SCc2cccc(c2)I 62a_100011218688_100000036424 [0,2,0,0,0,0|2,0,0]=4 11146 B17R2.41893 Fc1cc(ccn1)SCc2ccccc2Br 62a_100000184730_100009816116 [0,2,0,0,0,0|2,0,0]=4 11147 B17R2.41893 Fc1cc(ccn1)SCc2ccccc2Br 62a_100009816116_100000184730 [0,2,0,0,0,0|2,0,0]=4 11148 B17R2.41893 Fc1cc(ccn1)SCc2ccccc2Cl 62a_100000187162_100009816116 [0,2,0,0,0,0|2,0,0]=4 11149 B17R2.41893 Fc1cc(ccn1)SCc2ccccc2Cl 62a_100009816116_100000187162 [0,2,0,0,0,0|2,0,0]=4 11150 B17R2.41893 Fc1cc(ccn1)SCc2ccccc2F 62a_100000211605_100009816116 [0,2,0,0,0,0|2,0,0]=4 11151 B17R2.41893 Fc1cc(ccn1)SCc2ccccc2F 62a_100009816116_100000211605 [0,2,0,0,0,0|2,0,0]=4 11152 B17R2.41893 Fc1cc(ccn1)SCc2ccccc2I 62a_100009816116_100011216222 [0,2,0,0,0,0|2,0,0]=4 11153 B17R2.41893 Fc1cc(ccn1)SCc2ccccc2I 62a_100011216222_100009816116 [0,2,0,0,0,0|2,0,0]=4 11154 B17R2.41893 Fc1cccc(c1)C=Cc2ccccc2Br 271570a_100102525537_100000695589 [0,2,0,0,0,0|2,0,0]=4 11155 B17R2.41893 Fc1cccc(c1)C=Cc2ccccc2Cl 271570a_100102525537_100000764095 [0,2,0,0,0,0|2,0,0]=4 11156 B17R2.41893 Fc1cccc(c1)C=Cc2ccccc2F 271570a_100102525537_100011215700 [0,2,0,0,0,0|2,0,0]=4 11157 B17R2.41893 Fc1cccc(c1)C=Cc2ccccc2F 271570a_200102527919_100000685547 [0,2,0,0,0,0|2,0,0]=4 11158 B17R2.41893 Fc1cccc(c1)CNc2ccccc2Br 207a_100000210017_100000210812 [0,2,0,0,0,0|2,0,0]=4 11159 B17R2.41893 Fc1cccc(c1)CNc2ccccc2Br 34a_100000210017_100000187166 [0,2,0,0,0,0|2,0,0]=4 11160 B17R2.41893 Fc1cccc(c1)CNc2ccccc2Cl 207a_100000185783_100000210812 [0,2,0,0,0,0|2,0,0]=4 11161 B17R2.41893 Fc1cccc(c1)CNc2ccccc2Cl 34a_100000185783_100000187166 [0,2,0,0,0,0|2,0,0]=4 11162 B17R2.41893 Fc1cccc(c1)CNc2ccccc2F 207a_100000210422_100000210812 [0,2,0,0,0,0|2,0,0]=4 11163 B17R2.41893 Fc1cccc(c1)CNc2ccccc2F 34a_100000210422_100000187166 [0,2,0,0,0,0|2,0,0]=4 11164 B17R2.41893 Fc1cccc(c1)CNc2ccccc2I 207a_100000210053_100000210812 [0,2,0,0,0,0|2,0,0]=4 11165 B17R2.41893 Fc1cccc(c1)CNc2ccccc2I 34a_100000210053_100000187166 [0,2,0,0,0,0|2,0,0]=4 11166 B17R2.41893 Fc1cccc(c1)COc2ccccc2Br 34a_100000181306_100000187166 [0,2,0,0,0,0|1,1,0]=4 11167 B17R2.41893 Fc1cccc(c1)COc2ccccc2Br 7a_100000181306_100000230114 [0,2,0,0,0,0|1,1,0]=4 11168 B17R2.41893 Fc1cccc(c1)COc2ccccc2Cl 34a_100000210172_100000187166 [0,2,0,0,0,0|1,1,0]=4 11169 B17R2.41893 Fc1cccc(c1)COc2ccccc2Cl 7a_100000210172_100000230114 [0,2,0,0,0,0|1,1,0]=4 11170 B17R2.41893 Fc1cccc(c1)COc2ccccc2F 34a_100000210171_100000187166 [0,2,0,0,0,0|1,1,0]=4 11171 B17R2.41893 Fc1cccc(c1)COc2ccccc2F 7a_100000210171_100000230114 [0,2,0,0,0,0|1,1,0]=4 11172 B17R2.41893 Fc1cccc(c1)COc2ccccc2I 34a_100000739446_100000187166 [0,2,0,0,0,0|1,1,0]=4 11173 B17R2.41893 Fc1cccc(c1)COc2ccccc2I 7a_100000739446_100000230114 [0,2,0,0,0,0|1,1,0]=4 11174 B17R2.41893 Fc1cccc(c1)CSc2c[nH]ccc2=S 62a_100000230114_200012280681 [0,2,0,0,0,0|2,0,0]=4 11175 B17R2.41893 Fc1cccc(c1)CSc2c[nH]ccc2=S 62a_200012280681_100000230114 [0,2,0,0,0,0|2,0,0]=4 11176 B17R2.41893 Fc1cccc(c1)CSc2ccccc2Br 62a_100000230114_100000695589 [0,2,0,0,0,0|1,0,0]=3 11177 B17R2.41893 Fc1cccc(c1)CSc2ccccc2Br 62a_100000695589_100000230114 [0,2,0,0,0,0|1,0,0]=3 11178 B17R2.41893 Fc1cccc(c1)CSc2ccccc2Cl 62a_100000230114_100000764095 [0,2,0,0,0,0|1,0,0]=3 11179 B17R2.41893 Fc1cccc(c1)CSc2ccccc2Cl 62a_100000764095_100000230114 [0,2,0,0,0,0|1,0,0]=3 11180 B17R2.41893 Fc1cccc(c1)CSc2ccccc2F 62a_100000230114_100011215700 [0,2,0,0,0,0|1,0,0]=3 11181 B17R2.41893 Fc1cccc(c1)CSc2ccccc2F 62a_100011215700_100000230114 [0,2,0,0,0,0|1,0,0]=3 11182 B17R2.41893 Fc1cccc(c1)CSc2cccnc2Br 62a_100000230114_100010202626 [0,2,0,0,0,0|2,0,0]=4 11183 B17R2.41893 Fc1cccc(c1)CSc2cccnc2Br 62a_100010202626_100000230114 [0,2,0,0,0,0|2,0,0]=4 11184 B17R2.41893 Fc1cccc(c1)CSc2cccnc2Cl 62a_100000036424_100000230114 [0,2,0,0,0,0|2,0,0]=4 11185 B17R2.41893 Fc1cccc(c1)CSc2cccnc2Cl 62a_100000230114_100000036424 [0,2,0,0,0,0|2,0,0]=4 11186 B17R2.41893 Fc1cccc(c1)CSc2cccnc2F 62a_100000230114_100009816115 [0,2,0,0,0,0|2,0,0]=4 11187 B17R2.41893 Fc1cccc(c1)CSc2cccnc2F 62a_100009816115_100000230114 [0,2,0,0,0,0|2,0,0]=4 11188 B17R2.41893 Fc1cccc(c1)CSc2ccncc2Br 62a_100000230114_100000726257 [0,2,0,0,0,0|2,0,0]=4 11189 B17R2.41893 Fc1cccc(c1)CSc2ccncc2Br 62a_100000726257_100000230114 [0,2,0,0,0,0|2,0,0]=4 11190 B17R2.41893 Fc1cccc(c1)CSc2ccncc2Cl 62a_100000230114_100000708259 [0,2,0,0,0,0|2,0,0]=4 11191 B17R2.41893 Fc1cccc(c1)CSc2ccncc2Cl 62a_100000708259_100000230114 [0,2,0,0,0,0|2,0,0]=4 11192 B17R2.41893 Fc1cccc(c1)CSc2ccncc2F 62a_100000047030_100000230114 [0,2,0,0,0,0|2,0,0]=4 11193 B17R2.41893 Fc1cccc(c1)CSc2ccncc2F 62a_100000230114_100000047030 [0,2,0,0,0,0|2,0,0]=4 11194 B17R2.41893 Fc1cccc(c1)CSc2cnccc2Br 62a_100000230114_100010138639 [0,2,0,0,0,0|2,0,0]=4 11195 B17R2.41893 Fc1cccc(c1)CSc2cnccc2Br 62a_100010138639_100000230114 [0,2,0,0,0,0|2,0,0]=4 11196 B17R2.41893 Fc1cccc(c1)CSc2cnccc2Cl 62a_100000230114_100009995489 [0,2,0,0,0,0|2,0,0]=4 11197 B17R2.41893 Fc1cccc(c1)CSc2cnccc2Cl 62a_100009995489_100000230114 [0,2,0,0,0,0|2,0,0]=4 11198 B17R2.41893 Fc1cccc(c1)CSc2cnccc2F 62a_100000230114_100009820683 [0,2,0,0,0,0|2,0,0]=4 11199 B17R2.41893 Fc1cccc(c1)CSc2cnccc2F 62a_100009820683_100000230114 [0,2,0,0,0,0|2,0,0]=4 11200 B17R2.41893 Fc1cccc(c1)CSc2ncccc2Br 62a_100000230114_100000696092 [0,2,0,0,0,0|2,0,0]=4 11201 B17R2.41893 Fc1cccc(c1)CSc2ncccc2Br 62a_100000696092_100000230114 [0,2,0,0,0,0|2,0,0]=4 11202 B17R2.41893 Fc1cccc(c1)CSc2ncccc2Cl 62a_100000230114_100011356963 [0,2,0,0,0,0|2,0,0]=4 11203 B17R2.41893 Fc1cccc(c1)CSc2ncccc2Cl 62a_100011356963_100000230114 [0,2,0,0,0,0|2,0,0]=4 11204 B17R2.41893 Fc1cccc(c1)CSc2ncccc2F 62a_100000230114_100000685392 [0,2,0,0,0,0|2,0,0]=4 11205 B17R2.41893 Fc1cccc(c1)CSc2ncccc2F 62a_100000685392_100000230114 [0,2,0,0,0,0|2,0,0]=4 11206 B17R2.41893 Fc1cccc(c1)NCc2ccccc2Br 207a_100000210047_100000211189 [0,2,0,0,0,0|2,0,0]=4 11207 B17R2.41893 Fc1cccc(c1)NCc2ccccc2Br 270302a_100000210047_100000211189 [0,2,0,0,0,0|2,0,0]=4 11208 B17R2.41893 Fc1cccc(c1)NCc2ccccc2Br 34a_100000210047_100000184730 [0,2,0,0,0,0|2,0,0]=4 11209 B17R2.41893 Fc1cccc(c1)NCc2ccccc2Cl 207a_100000210047_100000210073 [0,2,0,0,0,0|2,0,0]=4 11210 B17R2.41893 Fc1cccc(c1)NCc2ccccc2Cl 270302a_100000210047_100000210073 [0,2,0,0,0,0|2,0,0]=4 11211 B17R2.41893 Fc1cccc(c1)NCc2ccccc2Cl 34a_100000210047_100000187162 [0,2,0,0,0,0|2,0,0]=4 11212 B17R2.41893 Fc1cccc(c1)NCc2ccccc2F 207a_100000210047_100000210811 [0,2,0,0,0,0|2,0,0]=4 11213 B17R2.41893 Fc1cccc(c1)NCc2ccccc2F 270302a_100000210047_100000210811 [0,2,0,0,0,0|2,0,0]=4 11214 B17R2.41893 Fc1cccc(c1)NCc2ccccc2F 34a_100000210047_100000211605 [0,2,0,0,0,0|2,0,0]=4 11215 B17R2.41893 Fc1cccc(c1)NCc2ccccc2I 207a_100000210047_100000010305 [0,2,0,0,0,0|2,0,0]=4 11216 B17R2.41893 Fc1cccc(c1)NCc2ccccc2I 34a_100000210047_100011215278 [0,2,0,0,0,0|2,0,0]=4 11217 B17R2.41893 Fc1cccc(c1)OCc2ccccc2Br 34a_100000210426_100000184730 [0,2,0,0,0,0|1,1,0]=4 11218 B17R2.41893 Fc1cccc(c1)OCc2ccccc2Br 7a_100000210426_100000184730 [0,2,0,0,0,0|1,1,0]=4 11219 B17R2.41893 Fc1cccc(c1)OCc2ccccc2Cl 34a_100000210426_100000187162 [0,2,0,0,0,0|1,1,0]=4 11220 B17R2.41893 Fc1cccc(c1)OCc2ccccc2Cl 7a_100000210426_100000187162 [0,2,0,0,0,0|1,1,0]=4 11221 B17R2.41893 Fc1cccc(c1)OCc2ccccc2F 34a_100000210426_100000211605 [0,2,0,0,0,0|1,1,0]=4 11222 B17R2.41893 Fc1cccc(c1)OCc2ccccc2F 7a_100000210426_100000211605 [0,2,0,0,0,0|1,1,0]=4 11223 B17R2.41893 Fc1cccc(c1)OCc2ccccc2I 34a_100000210426_100011215278 [0,2,0,0,0,0|1,1,0]=4 11224 B17R2.41893 Fc1cccc(c1)OCc2ccccc2I 7a_100000210426_100011215278 [0,2,0,0,0,0|1,1,0]=4 11225 B17R2.41893 Fc1cccc(c1)SCc2ccccc2Br 62a_100000184730_100000685547 [0,2,0,0,0,0|1,0,0]=3 11226 B17R2.41893 Fc1cccc(c1)SCc2ccccc2Br 62a_100000685547_100000184730 [0,2,0,0,0,0|1,0,0]=3 11227 B17R2.41893 Fc1cccc(c1)SCc2ccccc2Cl 62a_100000187162_100000685547 [0,2,0,0,0,0|1,0,0]=3 11228 B17R2.41893 Fc1cccc(c1)SCc2ccccc2Cl 62a_100000685547_100000187162 [0,2,0,0,0,0|1,0,0]=3 11229 B17R2.41893 Fc1cccc(c1)SCc2ccccc2F 62a_100000211605_100000685547 [0,2,0,0,0,0|1,0,0]=3 11230 B17R2.41893 Fc1cccc(c1)SCc2ccccc2F 62a_100000685547_100000211605 [0,2,0,0,0,0|1,0,0]=3 11231 B17R2.41893 Fc1cccc(c1)SCc2ccccc2I 62a_100000685547_100011216222 [0,2,0,0,0,0|1,0,0]=3 11232 B17R2.41893 Fc1cccc(c1)SCc2ccccc2I 62a_100011216222_100000685547 [0,2,0,0,0,0|1,0,0]=3 11233 B17R2.41893 Fc1cccc(c1)SCc2cccnc2Br 62a_100000685547_100010140945 [0,2,0,0,0,0|2,0,0]=4 11234 B17R2.41893 Fc1cccc(c1)SCc2cccnc2Br 62a_100010140945_100000685547 [0,2,0,0,0,0|2,0,0]=4 11235 B17R2.41893 Fc1cccc(c1)SCc2cccnc2Cl 62a_100000045678_100000685547 [0,2,0,0,0,0|2,0,0]=4 11236 B17R2.41893 Fc1cccc(c1)SCc2cccnc2Cl 62a_100000685547_100000045678 [0,2,0,0,0,0|2,0,0]=4 11237 B17R2.41893 Fc1cccc(c1)SCc2cccnc2F 62a_100000099810_100000685547 [0,2,0,0,0,0|2,0,0]=4 11238 B17R2.41893 Fc1cccc(c1)SCc2cccnc2F 62a_100000685547_100000099810 [0,2,0,0,0,0|2,0,0]=4 11239 B17R2.41893 Fc1cccc(c1)SCc2ccncc2Cl 62a_100000685547_100000763264 [0,2,0,0,0,0|2,0,0]=4 11240 B17R2.41893 Fc1cccc(c1)SCc2ccncc2Cl 62a_100000763264_100000685547 [0,2,0,0,0,0|2,0,0]=4 11241 B17R2.41893 Fc1cccc(c1)SCc2ncccc2Br 62a_100000685547_100025702911 [0,2,0,0,0,0|2,0,0]=4 11242 B17R2.41893 Fc1cccc(c1)SCc2ncccc2Br 62a_100025702911_100000685547 [0,2,0,0,0,0|2,0,0]=4 11243 B17R2.41893 Fc1cccc(c1)SCc2ncccc2Cl 62a_100000099807_100000685547 [0,2,0,0,0,0|2,0,0]=4 11244 B17R2.41893 Fc1cccc(c1)SCc2ncccc2Cl 62a_100000685547_100000099807 [0,2,0,0,0,0|2,0,0]=4 11245 B17R2.41893 Fc1cccc(c1)SCc2ncccc2F 62a_100000104219_100000685547 [0,2,0,0,0,0|2,0,0]=4 11246 B17R2.41893 Fc1cccc(c1)SCc2ncccc2F 62a_100000685547_100000104219 [0,2,0,0,0,0|2,0,0]=4 11247 B17R2.41893 Fc1cccc(n1)CSc2ccccc2Br 62a_100000695589_100009819644 [0,2,0,0,0,0|2,0,0]=4 11248 B17R2.41893 Fc1cccc(n1)CSc2ccccc2Br 62a_100009819644_100000695589 [0,2,0,0,0,0|2,0,0]=4 11249 B17R2.41893 Fc1cccc(n1)CSc2ccccc2Cl 62a_100000764095_100009819644 [0,2,0,0,0,0|2,0,0]=4 11250 B17R2.41893 Fc1cccc(n1)CSc2ccccc2Cl 62a_100009819644_100000764095 [0,2,0,0,0,0|2,0,0]=4 11251 B17R2.41893 Fc1cccc(n1)CSc2ccccc2F 62a_100009819644_100011215700 [0,2,0,0,0,0|2,0,0]=4 11252 B17R2.41893 Fc1cccc(n1)CSc2ccccc2F 62a_100011215700_100009819644 [0,2,0,0,0,0|2,0,0]=4 11253 B17R2.41893 Fc1cccc(n1)SCc2ccccc2Br 62a_100000184730_100009815982 [0,2,0,0,0,0|2,0,0]=4 11254 B17R2.41893 Fc1cccc(n1)SCc2ccccc2Br 62a_100009815982_100000184730 [0,2,0,0,0,0|2,0,0]=4 11255 B17R2.41893 Fc1cccc(n1)SCc2ccccc2Cl 62a_100000187162_100009815982 [0,2,0,0,0,0|2,0,0]=4 11256 B17R2.41893 Fc1cccc(n1)SCc2ccccc2Cl 62a_100009815982_100000187162 [0,2,0,0,0,0|2,0,0]=4 11257 B17R2.41893 Fc1cccc(n1)SCc2ccccc2F 62a_100000211605_100009815982 [0,2,0,0,0,0|2,0,0]=4 11258 B17R2.41893 Fc1cccc(n1)SCc2ccccc2F 62a_100009815982_100000211605 [0,2,0,0,0,0|2,0,0]=4 11259 B17R2.41893 Fc1cccc(n1)SCc2ccccc2I 62a_100009815982_100011216222 [0,2,0,0,0,0|2,0,0]=4 11260 B17R2.41893 Fc1cccc(n1)SCc2ccccc2I 62a_100011216222_100009815982 [0,2,0,0,0,0|2,0,0]=4 11261 B17R2.41893 Fc1ccccc1C=Cc2cccc(c2)Br 271570a_200102527919_100000691529 [0,2,0,0,0,0|2,0,0]=4 11262 B17R2.41893 Fc1ccccc1C=Cc2cccc(c2)Cl 271570a_100102525933_100011215700 [0,2,0,0,0,0|2,0,0]=4 11263 B17R2.41893 Fc1ccccc1C=Cc2cccc(c2)Cl 271570a_200102527919_100000699651 [0,2,0,0,0,0|2,0,0]=4 11264 B17R2.41893 Fc1ccccc1C=Cc2cccc(c2)[S] 271570a_200102527919_114929384022 [0,2,0,0,0,0|2,0,0]=4 11265 B17R2.41893 Fc1ccccc1CNc2cccc(c2)Br 207a_100000210019_100000210811 [0,2,0,0,0,0|2,0,0]=4 11266 B17R2.41893 Fc1ccccc1CNc2cccc(c2)Br 270302a_100000210019_100000210811 [0,2,0,0,0,0|2,0,0]=4 11267 B17R2.41893 Fc1ccccc1CNc2cccc(c2)Br 34a_100000210019_100000211605 [0,2,0,0,0,0|2,0,0]=4 11268 B17R2.41893 Fc1ccccc1CNc2cccc(c2)Cl 207a_100000185859_100000210811 [0,2,0,0,0,0|2,0,0]=4 11269 B17R2.41893 Fc1ccccc1CNc2cccc(c2)Cl 270302a_100000185859_100000210811 [0,2,0,0,0,0|2,0,0]=4 11270 B17R2.41893 Fc1ccccc1CNc2cccc(c2)Cl 34a_100000185859_100000211605 [0,2,0,0,0,0|2,0,0]=4 11271 B17R2.41893 Fc1ccccc1CNc2cccc(c2)I 207a_100000211102_100000210811 [0,2,0,0,0,0|2,0,0]=4 11272 B17R2.41893 Fc1ccccc1CNc2cccc(c2)I 270302a_100000211102_100000210811 [0,2,0,0,0,0|2,0,0]=4 11273 B17R2.41893 Fc1ccccc1CNc2cccc(c2)I 34a_100000211102_100000211605 [0,2,0,0,0,0|2,0,0]=4 11274 B17R2.41893 Fc1ccccc1COc2cccc(c2)Br 34a_100000210342_100000211605 [0,2,0,0,0,0|1,1,0]=4 11275 B17R2.41893 Fc1ccccc1COc2cccc(c2)Br 7a_100000210342_100000211605 [0,2,0,0,0,0|1,1,0]=4 11276 B17R2.41893 Fc1ccccc1COc2cccc(c2)Cl 34a_100000210295_100000211605 [0,2,0,0,0,0|1,1,0]=4 11277 B17R2.41893 Fc1ccccc1COc2cccc(c2)Cl 7a_100000210295_100000211605 [0,2,0,0,0,0|1,1,0]=4 11278 B17R2.41893 Fc1ccccc1COc2cccc(c2)I 34a_100000211634_100000211605 [0,2,0,0,0,0|1,1,0]=4 11279 B17R2.41893 Fc1ccccc1COc2cccc(c2)I 7a_100000211634_100000211605 [0,2,0,0,0,0|1,1,0]=4 11280 B17R2.41893 Fc1ccccc1CSc2cc(ccn2)Cl 62a_100000211605_100010167805 [0,2,0,0,0,0|2,0,0]=4 11281 B17R2.41893 Fc1ccccc1CSc2cc(ccn2)Cl 62a_100010167805_100000211605 [0,2,0,0,0,0|2,0,0]=4 11282 B17R2.41893 Fc1ccccc1CSc2cccc(c2)Br 62a_100000211605_100000691529 [0,2,0,0,0,0|1,0,0]=3 11283 B17R2.41893 Fc1ccccc1CSc2cccc(c2)Br 62a_100000691529_100000211605 [0,2,0,0,0,0|1,0,0]=3 11284 B17R2.41893 Fc1ccccc1CSc2cccc(c2)Cl 62a_100000211605_100000699651 [0,2,0,0,0,0|1,0,0]=3 11285 B17R2.41893 Fc1ccccc1CSc2cccc(c2)Cl 62a_100000699651_100000211605 [0,2,0,0,0,0|1,0,0]=3 11286 B17R2.41893 Fc1ccccc1CSc2cccc(c2)[S] 62a_100000211605_114929384022 [0,2,0,0,0,0|1,0,0]=3 11287 B17R2.41893 Fc1ccccc1CSc2cccc(c2)[S] 62a_114929384022_100000211605 [0,2,0,0,0,0|1,0,0]=3 11288 B17R2.41893 Fc1ccccc1CSc2cccc(n2)Br 62a_100000211605_100000684672 [0,2,0,0,0,0|2,0,0]=4 11289 B17R2.41893 Fc1ccccc1CSc2cccc(n2)Br 62a_100000684672_100000211605 [0,2,0,0,0,0|2,0,0]=4 11290 B17R2.41893 Fc1ccccc1CSc2cccc(n2)Cl 62a_100000051397_100000211605 [0,2,0,0,0,0|2,0,0]=4 11291 B17R2.41893 Fc1ccccc1CSc2cccc(n2)Cl 62a_100000211605_100000051397 [0,2,0,0,0,0|2,0,0]=4 11292 B17R2.41893 Fc1ccccc1CSc2ccnc(c2)Br 62a_100000211605_100009814637 [0,2,0,0,0,0|2,0,0]=4 11293 B17R2.41893 Fc1ccccc1CSc2ccnc(c2)Br 62a_100009814637_100000211605 [0,2,0,0,0,0|2,0,0]=4 11294 B17R2.41893 Fc1ccccc1CSc2ccnc(c2)Cl 62a_100000035001_100000211605 [0,2,0,0,0,0|2,0,0]=4 11295 B17R2.41893 Fc1ccccc1CSc2ccnc(c2)Cl 62a_100000211605_100000035001 [0,2,0,0,0,0|2,0,0]=4 11296 B17R2.41893 Fc1ccccc1CSc2cncc(c2)Br 62a_100000211605_100000728054 [0,2,0,0,0,0|2,0,0]=4 11297 B17R2.41893 Fc1ccccc1CSc2cncc(c2)Br 62a_100000728054_100000211605 [0,2,0,0,0,0|2,0,0]=4 11298 B17R2.41893 Fc1ccccc1CSc2cncc(c2)Cl 62a_100000049639_100000211605 [0,2,0,0,0,0|2,0,0]=4 11299 B17R2.41893 Fc1ccccc1CSc2cncc(c2)Cl 62a_100000211605_100000049639 [0,2,0,0,0,0|2,0,0]=4 11300 B17R2.41893 Fc1ccccc1NCc2cccc(c2)Br 207a_100000210422_100000210085 [0,2,0,0,0,0|2,0,0]=4 11301 B17R2.41893 Fc1ccccc1NCc2cccc(c2)Br 34a_100000210422_100000698116 [0,2,0,0,0,0|2,0,0]=4 11302 B17R2.41893 Fc1ccccc1NCc2cccc(c2)Cl 207a_100000210422_100000210801 [0,2,0,0,0,0|2,0,0]=4 11303 B17R2.41893 Fc1ccccc1NCc2cccc(c2)Cl 34a_100000210422_100000187163 [0,2,0,0,0,0|2,0,0]=4 11304 B17R2.41893 Fc1ccccc1NCc2cccc(c2)I 207a_100000210422_100000014684 [0,2,0,0,0,0|2,0,0]=4 11305 B17R2.41893 Fc1ccccc1NCc2cccc(c2)I 34a_100000210422_100011218688 [0,2,0,0,0,0|2,0,0]=4 11306 B17R2.41893 Fc1ccccc1OCc2cccc(c2)Br 34a_100000210171_100000698116 [0,2,0,0,0,0|1,1,0]=4 11307 B17R2.41893 Fc1ccccc1OCc2cccc(c2)Br 7a_100000210171_100000211773 [0,2,0,0,0,0|1,1,0]=4 11308 B17R2.41893 Fc1ccccc1OCc2cccc(c2)Cl 34a_100000210171_100000187163 [0,2,0,0,0,0|1,1,0]=4 11309 B17R2.41893 Fc1ccccc1OCc2cccc(c2)Cl 7a_100000210171_100000187163 [0,2,0,0,0,0|1,1,0]=4 11310 B17R2.41893 Fc1ccccc1OCc2cccc(c2)I 34a_100000210171_100011218688 [0,2,0,0,0,0|1,1,0]=4 11311 B17R2.41893 Fc1ccccc1OCc2cccc(c2)I 7a_100000210171_100011218688 [0,2,0,0,0,0|1,1,0]=4 11312 B17R2.41893 Fc1ccccc1SCc2cc(ccn2)Br 62a_100010173614_100011215700 [0,2,0,0,0,0|2,0,0]=4 11313 B17R2.41893 Fc1ccccc1SCc2cc(ccn2)Br 62a_100011215700_100010173614 [0,2,0,0,0,0|2,0,0]=4 11314 B17R2.41893 Fc1ccccc1SCc2cc(ccn2)Cl 62a_100011215700_100016988179 [0,2,0,0,0,0|2,0,0]=4 11315 B17R2.41893 Fc1ccccc1SCc2cc(ccn2)Cl 62a_100016988179_100011215700 [0,2,0,0,0,0|2,0,0]=4 11316 B17R2.41893 Fc1ccccc1SCc2cccc(c2)Br 62a_100000211773_100011215700 [0,2,0,0,0,0|1,0,0]=3 11317 B17R2.41893 Fc1ccccc1SCc2cccc(c2)Br 62a_100011215700_100000211773 [0,2,0,0,0,0|1,0,0]=3 11318 B17R2.41893 Fc1ccccc1SCc2cccc(c2)Cl 62a_100000187163_100011215700 [0,2,0,0,0,0|1,0,0]=3 11319 B17R2.41893 Fc1ccccc1SCc2cccc(c2)Cl 62a_100011215700_100000187163 [0,2,0,0,0,0|1,0,0]=3 11320 B17R2.41893 Fc1ccccc1SCc2cccc(c2)I 62a_100011215700_100011218688 [0,2,0,0,0,0|1,0,0]=3 11321 B17R2.41893 Fc1ccccc1SCc2cccc(c2)I 62a_100011218688_100011215700 [0,2,0,0,0,0|1,0,0]=3 11322 B17R2.41893 Fc1ccccc1SCc2cccc(n2)Br 62a_100009889011_100011215700 [0,2,0,0,0,0|2,0,0]=4 11323 B17R2.41893 Fc1ccccc1SCc2cccc(n2)Br 62a_100011215700_100009889011 [0,2,0,0,0,0|2,0,0]=4 11324 B17R2.41893 Fc1ccccc1SCc2cccc(n2)Cl 62a_100000086093_100011215700 [0,2,0,0,0,0|2,0,0]=4 11325 B17R2.41893 Fc1ccccc1SCc2cccc(n2)Cl 62a_100011215700_100000086093 [0,2,0,0,0,0|2,0,0]=4 11326 B17R2.41893 Fc1ccccc1SCc2ccnc(c2)Br 62a_100010254460_100011215700 [0,2,0,0,0,0|2,0,0]=4 11327 B17R2.41893 Fc1ccccc1SCc2ccnc(c2)Br 62a_100011215700_100010243470 [0,2,0,0,0,0|2,0,0]=4 11328 B17R2.41893 Fc1ccccc1SCc2ccnc(c2)Cl 62a_100000764220_100011215700 [0,2,0,0,0,0|2,0,0]=4 11329 B17R2.41893 Fc1ccccc1SCc2ccnc(c2)Cl 62a_100011215700_100000764220 [0,2,0,0,0,0|2,0,0]=4 11330 B17R2.41893 Fc1ccccc1SCc2cncc(c2)Br 62a_100000738771_100011215700 [0,2,0,0,0,0|2,0,0]=4 11331 B17R2.41893 Fc1ccccc1SCc2cncc(c2)Br 62a_100011215700_100000738771 [0,2,0,0,0,0|2,0,0]=4 11332 B17R2.41893 Fc1ccccc1SCc2cncc(c2)Cl 62a_100011215700_100016992070 [0,2,0,0,0,0|2,0,0]=4 11333 B17R2.41893 Fc1ccccc1SCc2cncc(c2)Cl 62a_100016992070_100011215700 [0,2,0,0,0,0|2,0,0]=4 11334 B17R2.41893 Fc1cccnc1CSc2cccc(c2)Br 62a_100000104219_100000691529 [0,2,0,0,0,0|2,0,0]=4 11335 B17R2.41893 Fc1cccnc1CSc2cccc(c2)Br 62a_100000691529_100000104219 [0,2,0,0,0,0|2,0,0]=4 11336 B17R2.41893 Fc1cccnc1CSc2cccc(c2)Cl 62a_100000104219_100000699651 [0,2,0,0,0,0|2,0,0]=4 11337 B17R2.41893 Fc1cccnc1CSc2cccc(c2)Cl 62a_100000699651_100000104219 [0,2,0,0,0,0|2,0,0]=4 11338 B17R2.41893 Fc1cccnc1CSc2cccc(c2)[S] 62a_100000104219_114929384022 [0,2,0,0,0,0|2,0,0]=4 11339 B17R2.41893 Fc1cccnc1CSc2cccc(c2)[S] 62a_114929384022_100000104219 [0,2,0,0,0,0|2,0,0]=4 11340 B17R2.41893 Fc1cccnc1SCc2cccc(c2)Br 62a_100000211773_100000685392 [0,2,0,0,0,0|2,0,0]=4 11341 B17R2.41893 Fc1cccnc1SCc2cccc(c2)Br 62a_100000685392_100000211773 [0,2,0,0,0,0|2,0,0]=4 11342 B17R2.41893 Fc1cccnc1SCc2cccc(c2)Cl 62a_100000187163_100000685392 [0,2,0,0,0,0|2,0,0]=4 11343 B17R2.41893 Fc1cccnc1SCc2cccc(c2)Cl 62a_100000685392_100000187163 [0,2,0,0,0,0|2,0,0]=4 11344 B17R2.41893 Fc1cccnc1SCc2cccc(c2)I 62a_100000685392_100011218688 [0,2,0,0,0,0|2,0,0]=4 11345 B17R2.41893 Fc1cccnc1SCc2cccc(c2)I 62a_100011218688_100000685392 [0,2,0,0,0,0|2,0,0]=4 11346 B17R2.41893 Fc1ccnc(c1)SCc2ccccc2Br 62a_100000184730_100000764206 [0,2,0,0,0,0|2,0,0]=4 11347 B17R2.41893 Fc1ccnc(c1)SCc2ccccc2Br 62a_100000764206_100000184730 [0,2,0,0,0,0|2,0,0]=4 11348 B17R2.41893 Fc1ccnc(c1)SCc2ccccc2Cl 62a_100000187162_100000764206 [0,2,0,0,0,0|2,0,0]=4 11349 B17R2.41893 Fc1ccnc(c1)SCc2ccccc2Cl 62a_100000764206_100000187162 [0,2,0,0,0,0|2,0,0]=4 11350 B17R2.41893 Fc1ccnc(c1)SCc2ccccc2F 62a_100000211605_100000764206 [0,2,0,0,0,0|2,0,0]=4 11351 B17R2.41893 Fc1ccnc(c1)SCc2ccccc2F 62a_100000764206_100000211605 [0,2,0,0,0,0|2,0,0]=4 11352 B17R2.41893 Fc1ccnc(c1)SCc2ccccc2I 62a_100000764206_100011216222 [0,2,0,0,0,0|2,0,0]=4 11353 B17R2.41893 Fc1ccnc(c1)SCc2ccccc2I 62a_100011216222_100000764206 [0,2,0,0,0,0|2,0,0]=4 11354 B17R2.41893 Fc1ccncc1SCc2cccc(c2)Br 62a_100000211773_100009820683 [0,2,0,0,0,0|2,0,0]=4 11355 B17R2.41893 Fc1ccncc1SCc2cccc(c2)Br 62a_100009820683_100000211773 [0,2,0,0,0,0|2,0,0]=4 11356 B17R2.41893 Fc1ccncc1SCc2cccc(c2)Cl 62a_100000187163_100009820683 [0,2,0,0,0,0|2,0,0]=4 11357 B17R2.41893 Fc1ccncc1SCc2cccc(c2)Cl 62a_100009820683_100000187163 [0,2,0,0,0,0|2,0,0]=4 11358 B17R2.41893 Fc1ccncc1SCc2cccc(c2)I 62a_100009820683_100011218688 [0,2,0,0,0,0|2,0,0]=4 11359 B17R2.41893 Fc1ccncc1SCc2cccc(c2)I 62a_100011218688_100009820683 [0,2,0,0,0,0|2,0,0]=4 11360 B17R2.41893 Fc1cncc(c1)CSc2ccccc2Br 62a_100000695589_100000725299 [0,2,0,0,0,0|2,0,0]=4 11361 B17R2.41893 Fc1cncc(c1)CSc2ccccc2Br 62a_100000725299_100000695589 [0,2,0,0,0,0|2,0,0]=4 11362 B17R2.41893 Fc1cncc(c1)CSc2ccccc2Cl 62a_100000725299_100000764095 [0,2,0,0,0,0|2,0,0]=4 11363 B17R2.41893 Fc1cncc(c1)CSc2ccccc2Cl 62a_100000764095_100000725299 [0,2,0,0,0,0|2,0,0]=4 11364 B17R2.41893 Fc1cncc(c1)CSc2ccccc2F 62a_100000725299_100011215700 [0,2,0,0,0,0|2,0,0]=4 11365 B17R2.41893 Fc1cncc(c1)CSc2ccccc2F 62a_100011215700_100000725299 [0,2,0,0,0,0|2,0,0]=4 11366 B17R2.41893 Fc1cncc(c1)SCc2ccccc2Br 62a_100000184730_100000744099 [0,2,0,0,0,0|2,0,0]=4 11367 B17R2.41893 Fc1cncc(c1)SCc2ccccc2Br 62a_100000744099_100000184730 [0,2,0,0,0,0|2,0,0]=4 11368 B17R2.41893 Fc1cncc(c1)SCc2ccccc2Cl 62a_100000187162_100000744099 [0,2,0,0,0,0|2,0,0]=4 11369 B17R2.41893 Fc1cncc(c1)SCc2ccccc2Cl 62a_100000744099_100000187162 [0,2,0,0,0,0|2,0,0]=4 11370 B17R2.41893 Fc1cncc(c1)SCc2ccccc2F 62a_100000211605_100000744099 [0,2,0,0,0,0|2,0,0]=4 11371 B17R2.41893 Fc1cncc(c1)SCc2ccccc2F 62a_100000744099_100000211605 [0,2,0,0,0,0|2,0,0]=4 11372 B17R2.41893 Fc1cncc(c1)SCc2ccccc2I 62a_100000744099_100011216222 [0,2,0,0,0,0|2,0,0]=4 11373 B17R2.41893 Fc1cncc(c1)SCc2ccccc2I 62a_100011216222_100000744099 [0,2,0,0,0,0|2,0,0]=4 11374 B17R2.41893 Fc1cnccc1SCc2cccc(c2)Br 62a_100000047030_100000211773 [0,2,0,0,0,0|2,0,0]=4 11375 B17R2.41893 Fc1cnccc1SCc2cccc(c2)Br 62a_100000211773_100000047030 [0,2,0,0,0,0|2,0,0]=4 11376 B17R2.41893 Fc1cnccc1SCc2cccc(c2)Cl 62a_100000047030_100000187163 [0,2,0,0,0,0|2,0,0]=4 11377 B17R2.41893 Fc1cnccc1SCc2cccc(c2)Cl 62a_100000187163_100000047030 [0,2,0,0,0,0|2,0,0]=4 11378 B17R2.41893 Fc1cnccc1SCc2cccc(c2)I 62a_100000047030_100011218688 [0,2,0,0,0,0|2,0,0]=4 11379 B17R2.41893 Fc1cnccc1SCc2cccc(c2)I 62a_100011218688_100000047030 [0,2,0,0,0,0|2,0,0]=4 11380 B17R2.41893 Fc1ncccc1CSc2cccc(c2)Br 62a_100000099810_100000691529 [0,2,0,0,0,0|2,0,0]=4 11381 B17R2.41893 Fc1ncccc1CSc2cccc(c2)Br 62a_100000691529_100000099810 [0,2,0,0,0,0|2,0,0]=4 11382 B17R2.41893 Fc1ncccc1CSc2cccc(c2)Cl 62a_100000099810_100000699651 [0,2,0,0,0,0|2,0,0]=4 11383 B17R2.41893 Fc1ncccc1CSc2cccc(c2)Cl 62a_100000699651_100000099810 [0,2,0,0,0,0|2,0,0]=4 11384 B17R2.41893 Fc1ncccc1CSc2cccc(c2)[S] 62a_100000099810_114929384022 [0,2,0,0,0,0|2,0,0]=4 11385 B17R2.41893 Fc1ncccc1CSc2cccc(c2)[S] 62a_114929384022_100000099810 [0,2,0,0,0,0|2,0,0]=4 11386 B17R2.41893 Fc1ncccc1SCc2cccc(c2)Br 62a_100000211773_100009816115 [0,2,0,0,0,0|2,0,0]=4 11387 B17R2.41893 Fc1ncccc1SCc2cccc(c2)Br 62a_100009816115_100000211773 [0,2,0,0,0,0|2,0,0]=4 11388 B17R2.41893 Fc1ncccc1SCc2cccc(c2)Cl 62a_100000187163_100009816115 [0,2,0,0,0,0|2,0,0]=4 11389 B17R2.41893 Fc1ncccc1SCc2cccc(c2)Cl 62a_100009816115_100000187163 [0,2,0,0,0,0|2,0,0]=4 11390 B17R2.41893 Fc1ncccc1SCc2cccc(c2)I 62a_100009816115_100011218688 [0,2,0,0,0,0|2,0,0]=4 11391 B17R2.41893 Fc1ncccc1SCc2cccc(c2)I 62a_100011218688_100009816115 [0,2,0,0,0,0|2,0,0]=4 11392 B17R2.41893 Ic1cccc(c1)CNc2ccccc2I 207a_100000210053_100000014684 [0,2,0,0,0,0|2,0,0]=4 11393 B17R2.41893 Ic1cccc(c1)CNc2ccccc2I 34a_100000210053_100011218688 [0,2,0,0,0,0|2,0,0]=4 11394 B17R2.41893 Ic1cccc(c1)COc2ccccc2I 34a_100000739446_100011218688 [0,2,0,0,0,0|1,1,0]=4 11395 B17R2.41893 Ic1cccc(c1)COc2ccccc2I 7a_100000739446_100011218688 [0,2,0,0,0,0|1,1,0]=4 11396 B17R2.41893 Ic1cccc(c1)NCc2ccccc2I 207a_100000211102_100000010305 [0,2,0,0,0,0|2,0,0]=4 11397 B17R2.41893 Ic1cccc(c1)NCc2ccccc2I 34a_100000211102_100011215278 [0,2,0,0,0,0|2,0,0]=4 11398 B17R2.41893 Ic1cccc(c1)OCc2ccccc2I 34a_100000211634_100011215278 [0,2,0,0,0,0|1,1,0]=4 11399 B17R2.41893 Ic1cccc(c1)OCc2ccccc2I 7a_100000211634_100011215278 [0,2,0,0,0,0|1,1,0]=4 11400 B17R2.41893 Nc1cc(ccn1)SCc2ccccc2Br 62a_100000049665_100000184730 [0,2,0,0,0,0|2,0,0]=4 11401 B17R2.41893 Nc1cc(ccn1)SCc2ccccc2Br 62a_100000184730_100000049665 [0,2,0,0,0,0|2,0,0]=4 11402 B17R2.41893 Nc1cc(ccn1)SCc2ccccc2Cl 62a_100000049665_100000187162 [0,2,0,0,0,0|2,0,0]=4 11403 B17R2.41893 Nc1cc(ccn1)SCc2ccccc2Cl 62a_100000187162_100000049665 [0,2,0,0,0,0|2,0,0]=4 11404 B17R2.41893 Nc1cc(ccn1)SCc2ccccc2F 62a_100000049665_100000211605 [0,2,0,0,0,0|2,0,0]=4 11405 B17R2.41893 Nc1cc(ccn1)SCc2ccccc2F 62a_100000211605_100000049665 [0,2,0,0,0,0|2,0,0]=4 11406 B17R2.41893 Nc1cc(ccn1)SCc2ccccc2I 62a_100000049665_100011216222 [0,2,0,0,0,0|2,0,0]=4 11407 B17R2.41893 Nc1cc(ccn1)SCc2ccccc2I 62a_100011216222_100000049665 [0,2,0,0,0,0|2,0,0]=4 11408 B17R2.41893 Nc1cccc(c1)C=Cc2ccccc2F 271570a_200102527919_100000210019 [0,2,0,0,0,0|2,0,0]=4 11409 B17R2.41893 Nc1cccc(c1)OCc2ccccc2Br 34a_100000210217_100000184730 [0,2,0,0,0,0|1,1,0]=4 11410 B17R2.41893 Nc1cccc(c1)OCc2ccccc2Cl 34a_100000210217_100000187162 [0,2,0,0,0,0|1,1,0]=4 11411 B17R2.41893 Nc1cccc(c1)OCc2ccccc2F 34a_100000210217_100000211605 [0,2,0,0,0,0|1,1,0]=4 11412 B17R2.41893 Nc1cccc(c1)OCc2ccccc2I 34a_100000210217_100011215278 [0,2,0,0,0,0|1,1,0]=4 11413 B17R2.41893 Nc1cccc(c1)SCc2ccccc2Br 62a_100000184730_100000210019 [0,2,0,0,0,0|1,0,0]=3 11414 B17R2.41893 Nc1cccc(c1)SCc2ccccc2Br 62a_100000210019_100000184730 [0,2,0,0,0,0|1,0,0]=3 11415 B17R2.41893 Nc1cccc(c1)SCc2ccccc2Cl 62a_100000187162_100000210019 [0,2,0,0,0,0|1,0,0]=3 11416 B17R2.41893 Nc1cccc(c1)SCc2ccccc2Cl 62a_100000210019_100000187162 [0,2,0,0,0,0|1,0,0]=3 11417 B17R2.41893 Nc1cccc(c1)SCc2ccccc2F 62a_100000210019_100000211605 [0,2,0,0,0,0|1,0,0]=3 11418 B17R2.41893 Nc1cccc(c1)SCc2ccccc2F 62a_100000211605_100000210019 [0,2,0,0,0,0|1,0,0]=3 11419 B17R2.41893 Nc1cccc(c1)SCc2ccccc2I 62a_100000210019_100011216222 [0,2,0,0,0,0|1,0,0]=3 11420 B17R2.41893 Nc1cccc(c1)SCc2ccccc2I 62a_100011216222_100000210019 [0,2,0,0,0,0|1,0,0]=3 11421 B17R2.41893 Nc1cccc(c1)SCc2cccnc2Br 62a_100000210019_100010140945 [0,2,0,0,0,0|2,0,0]=4 11422 B17R2.41893 Nc1cccc(c1)SCc2cccnc2Br 62a_100010140945_100000210019 [0,2,0,0,0,0|2,0,0]=4 11423 B17R2.41893 Nc1cccc(c1)SCc2cccnc2Cl 62a_100000045678_100000210019 [0,2,0,0,0,0|2,0,0]=4 11424 B17R2.41893 Nc1cccc(c1)SCc2cccnc2Cl 62a_100000210019_100000045678 [0,2,0,0,0,0|2,0,0]=4 11425 B17R2.41893 Nc1cccc(c1)SCc2cccnc2F 62a_100000099810_100000210019 [0,2,0,0,0,0|2,0,0]=4 11426 B17R2.41893 Nc1cccc(c1)SCc2cccnc2F 62a_100000210019_100000099810 [0,2,0,0,0,0|2,0,0]=4 11427 B17R2.41893 Nc1cccc(c1)SCc2ccncc2Cl 62a_100000210019_100000763264 [0,2,0,0,0,0|2,0,0]=4 11428 B17R2.41893 Nc1cccc(c1)SCc2ccncc2Cl 62a_100000763264_100000210019 [0,2,0,0,0,0|2,0,0]=4 11429 B17R2.41893 Nc1cccc(c1)SCc2ncccc2Br 62a_100000210019_100025702911 [0,2,0,0,0,0|2,0,0]=4 11430 B17R2.41893 Nc1cccc(c1)SCc2ncccc2Br 62a_100025702911_100000210019 [0,2,0,0,0,0|2,0,0]=4 11431 B17R2.41893 Nc1cccc(c1)SCc2ncccc2Cl 62a_100000099807_100000210019 [0,2,0,0,0,0|2,0,0]=4 11432 B17R2.41893 Nc1cccc(c1)SCc2ncccc2Cl 62a_100000210019_100000099807 [0,2,0,0,0,0|2,0,0]=4 11433 B17R2.41893 Nc1cccc(c1)SCc2ncccc2F 62a_100000104219_100000210019 [0,2,0,0,0,0|2,0,0]=4 11434 B17R2.41893 Nc1cccc(c1)SCc2ncccc2F 62a_100000210019_100000104219 [0,2,0,0,0,0|2,0,0]=4 11435 B17R2.41893 Nc1cccc(c1)SCc2ncccc2O 62a_100000210019_200020655725 [0,2,0,0,0,0|2,0,0]=4 11436 B17R2.41893 Nc1cccc(c1)SCc2ncccc2O 62a_200020655725_100000210019 [0,2,0,0,0,0|2,0,0]=4 11437 B17R2.41893 Nc1cccc(n1)SCc2ccccc2Br 62a_100000184730_100000740741 [0,2,0,0,0,0|2,0,0]=4 11438 B17R2.41893 Nc1cccc(n1)SCc2ccccc2Br 62a_100000740741_100000184730 [0,2,0,0,0,0|2,0,0]=4 11439 B17R2.41893 Nc1cccc(n1)SCc2ccccc2Cl 62a_100000187162_100000740741 [0,2,0,0,0,0|2,0,0]=4 11440 B17R2.41893 Nc1cccc(n1)SCc2ccccc2Cl 62a_100000740741_100000187162 [0,2,0,0,0,0|2,0,0]=4 11441 B17R2.41893 Nc1cccc(n1)SCc2ccccc2F 62a_100000211605_100000740741 [0,2,0,0,0,0|2,0,0]=4 11442 B17R2.41893 Nc1cccc(n1)SCc2ccccc2F 62a_100000740741_100000211605 [0,2,0,0,0,0|2,0,0]=4 11443 B17R2.41893 Nc1cccc(n1)SCc2ccccc2I 62a_100000740741_100011216222 [0,2,0,0,0,0|2,0,0]=4 11444 B17R2.41893 Nc1cccc(n1)SCc2ccccc2I 62a_100011216222_100000740741 [0,2,0,0,0,0|2,0,0]=4 11445 B17R2.41893 Nc1ccccc1C=Cc2cccc(c2)Cl 271570a_100102525933_100000210017 [0,2,0,0,0,0|2,0,0]=4 11446 B17R2.41893 Nc1ccccc1C=Cc2cccc(c2)F 271570a_100102525537_100000210017 [0,2,0,0,0,0|2,0,0]=4 11447 B17R2.41893 Nc1ccccc1OCc2cccc(c2)Br 34a_100000185747_100000698116 [0,2,0,0,0,0|1,1,0]=4 11448 B17R2.41893 Nc1ccccc1OCc2cccc(c2)Br 7a_100000185747_100000211773 [0,2,0,0,0,0|1,1,0]=4 11449 B17R2.41893 Nc1ccccc1OCc2cccc(c2)Cl 34a_100000185747_100000187163 [0,2,0,0,0,0|1,1,0]=4 11450 B17R2.41893 Nc1ccccc1OCc2cccc(c2)Cl 7a_100000185747_100000187163 [0,2,0,0,0,0|1,1,0]=4 11451 B17R2.41893 Nc1ccccc1OCc2cccc(c2)F 34a_100000185747_100000187166 [0,2,0,0,0,0|1,1,0]=4 11452 B17R2.41893 Nc1ccccc1OCc2cccc(c2)F 7a_100000185747_100000230114 [0,2,0,0,0,0|1,1,0]=4 11453 B17R2.41893 Nc1ccccc1OCc2cccc(c2)I 34a_100000185747_100011218688 [0,2,0,0,0,0|1,1,0]=4 11454 B17R2.41893 Nc1ccccc1OCc2cccc(c2)I 7a_100000185747_100011218688 [0,2,0,0,0,0|1,1,0]=4 11455 B17R2.41893 Nc1ccccc1OCc2cccc(c2)O 34a_100000185747_100011660834 [0,2,0,0,0,0|1,1,0]=4 11456 B17R2.41893 Nc1ccccc1OCc2cccc(c2)O 7a_100000185747_100000084143 [0,2,0,0,0,0|1,1,0]=4 11457 B17R2.41893 Nc1ccccc1SCc2cc(ccn2)Br 62a_100000210017_100010173614 [0,2,0,0,0,0|2,0,0]=4 11458 B17R2.41893 Nc1ccccc1SCc2cc(ccn2)Br 62a_100010173614_100000210017 [0,2,0,0,0,0|2,0,0]=4 11459 B17R2.41893 Nc1ccccc1SCc2cc(ccn2)Cl 62a_100000210017_100016988179 [0,2,0,0,0,0|2,0,0]=4 11460 B17R2.41893 Nc1ccccc1SCc2cc(ccn2)Cl 62a_100016988179_100000210017 [0,2,0,0,0,0|2,0,0]=4 11461 B17R2.41893 Nc1ccccc1SCc2cccc(c2)Br 62a_100000210017_100000211773 [0,2,0,0,0,0|1,0,0]=3 11462 B17R2.41893 Nc1ccccc1SCc2cccc(c2)Br 62a_100000211773_100000210017 [0,2,0,0,0,0|1,0,0]=3 11463 B17R2.41893 Nc1ccccc1SCc2cccc(c2)Cl 62a_100000187163_100000210017 [0,2,0,0,0,0|1,0,0]=3 11464 B17R2.41893 Nc1ccccc1SCc2cccc(c2)Cl 62a_100000210017_100000187163 [0,2,0,0,0,0|1,0,0]=3 11465 B17R2.41893 Nc1ccccc1SCc2cccc(c2)F 62a_100000210017_100000230114 [0,2,0,0,0,0|1,0,0]=3 11466 B17R2.41893 Nc1ccccc1SCc2cccc(c2)F 62a_100000230114_100000210017 [0,2,0,0,0,0|1,0,0]=3 11467 B17R2.41893 Nc1ccccc1SCc2cccc(c2)I 62a_100000210017_100011218688 [0,2,0,0,0,0|1,0,0]=3 11468 B17R2.41893 Nc1ccccc1SCc2cccc(c2)I 62a_100011218688_100000210017 [0,2,0,0,0,0|1,0,0]=3 11469 B17R2.41893 Nc1ccccc1SCc2cccc(c2)O 62a_100000210017_100011660834 [0,2,0,0,0,0|1,0,0]=3 11470 B17R2.41893 Nc1ccccc1SCc2cccc(c2)O 62a_100011660834_100000210017 [0,2,0,0,0,0|1,0,0]=3 11471 B17R2.41893 Nc1ccccc1SCc2cccc(n2)Br 62a_100000210017_100009889011 [0,2,0,0,0,0|2,0,0]=4 11472 B17R2.41893 Nc1ccccc1SCc2cccc(n2)Br 62a_100009889011_100000210017 [0,2,0,0,0,0|2,0,0]=4 11473 B17R2.41893 Nc1ccccc1SCc2cccc(n2)Cl 62a_100000086093_100000210017 [0,2,0,0,0,0|2,0,0]=4 11474 B17R2.41893 Nc1ccccc1SCc2cccc(n2)Cl 62a_100000210017_100000086093 [0,2,0,0,0,0|2,0,0]=4 11475 B17R2.41893 Nc1ccccc1SCc2cccc(n2)F 62a_100000210017_100009819644 [0,2,0,0,0,0|2,0,0]=4 11476 B17R2.41893 Nc1ccccc1SCc2cccc(n2)F 62a_100009819644_100000210017 [0,2,0,0,0,0|2,0,0]=4 11477 B17R2.41893 Nc1ccccc1SCc2ccnc(c2)Br 62a_100000210017_100010243470 [0,2,0,0,0,0|2,0,0]=4 11478 B17R2.41893 Nc1ccccc1SCc2ccnc(c2)Br 62a_100010254460_100000210017 [0,2,0,0,0,0|2,0,0]=4 11479 B17R2.41893 Nc1ccccc1SCc2ccnc(c2)Cl 62a_100000210017_100000764220 [0,2,0,0,0,0|2,0,0]=4 11480 B17R2.41893 Nc1ccccc1SCc2ccnc(c2)Cl 62a_100000764220_100000210017 [0,2,0,0,0,0|2,0,0]=4 11481 B17R2.41893 Nc1ccccc1SCc2cncc(c2)Br 62a_100000210017_100000738771 [0,2,0,0,0,0|2,0,0]=4 11482 B17R2.41893 Nc1ccccc1SCc2cncc(c2)Br 62a_100000738771_100000210017 [0,2,0,0,0,0|2,0,0]=4 11483 B17R2.41893 Nc1ccccc1SCc2cncc(c2)Cl 62a_100000210017_100016992070 [0,2,0,0,0,0|2,0,0]=4 11484 B17R2.41893 Nc1ccccc1SCc2cncc(c2)Cl 62a_100016992070_100000210017 [0,2,0,0,0,0|2,0,0]=4 11485 B17R2.41893 Nc1ccccc1SCc2cncc(c2)F 62a_100000210017_100000725299 [0,2,0,0,0,0|2,0,0]=4 11486 B17R2.41893 Nc1ccccc1SCc2cncc(c2)F 62a_100000725299_100000210017 [0,2,0,0,0,0|2,0,0]=4 11487 B17R2.41893 Nc1cccnc1SCc2cccc(c2)Br 62a_100000211773_100000688686 [0,2,0,0,0,0|2,0,0]=4 11488 B17R2.41893 Nc1cccnc1SCc2cccc(c2)Br 62a_100000688686_100000211773 [0,2,0,0,0,0|2,0,0]=4 11489 B17R2.41893 Nc1cccnc1SCc2cccc(c2)Cl 62a_100000187163_100000688686 [0,2,0,0,0,0|2,0,0]=4 11490 B17R2.41893 Nc1cccnc1SCc2cccc(c2)Cl 62a_100000688686_100000187163 [0,2,0,0,0,0|2,0,0]=4 11491 B17R2.41893 Nc1cccnc1SCc2cccc(c2)F 62a_100000230114_100000688686 [0,2,0,0,0,0|2,0,0]=4 11492 B17R2.41893 Nc1cccnc1SCc2cccc(c2)F 62a_100000688686_100000230114 [0,2,0,0,0,0|2,0,0]=4 11493 B17R2.41893 Nc1cccnc1SCc2cccc(c2)I 62a_100000688686_100011218688 [0,2,0,0,0,0|2,0,0]=4 11494 B17R2.41893 Nc1cccnc1SCc2cccc(c2)I 62a_100011218688_100000688686 [0,2,0,0,0,0|2,0,0]=4 11495 B17R2.41893 Nc1cccnc1SCc2cccc(c2)O 62a_100000688686_100011660834 [0,2,0,0,0,0|2,0,0]=4 11496 B17R2.41893 Nc1cccnc1SCc2cccc(c2)O 62a_100011660834_100000688686 [0,2,0,0,0,0|2,0,0]=4 11497 B17R2.41893 Nc1ccnc(c1)SCc2ccccc2Br 62a_100000184730_100009814236 [0,2,0,0,0,0|2,0,0]=4 11498 B17R2.41893 Nc1ccnc(c1)SCc2ccccc2Br 62a_100009814236_100000184730 [0,2,0,0,0,0|2,0,0]=4 11499 B17R2.41893 Nc1ccnc(c1)SCc2ccccc2Cl 62a_100000187162_100009814236 [0,2,0,0,0,0|2,0,0]=4 11500 B17R2.41893 Nc1ccnc(c1)SCc2ccccc2Cl 62a_100009814236_100000187162 [0,2,0,0,0,0|2,0,0]=4 11501 B17R2.41893 Nc1ccnc(c1)SCc2ccccc2F 62a_100000211605_100009814236 [0,2,0,0,0,0|2,0,0]=4 11502 B17R2.41893 Nc1ccnc(c1)SCc2ccccc2F 62a_100009814236_100000211605 [0,2,0,0,0,0|2,0,0]=4 11503 B17R2.41893 Nc1ccnc(c1)SCc2ccccc2I 62a_100009814236_100011216222 [0,2,0,0,0,0|2,0,0]=4 11504 B17R2.41893 Nc1ccnc(c1)SCc2ccccc2I 62a_100011216222_100009814236 [0,2,0,0,0,0|2,0,0]=4 11505 B17R2.41893 Nc1ccncc1SCc2cccc(c2)Br 62a_100000047001_100000211773 [0,2,0,0,0,0|2,0,0]=4 11506 B17R2.41893 Nc1ccncc1SCc2cccc(c2)Br 62a_100000211773_100000047001 [0,2,0,0,0,0|2,0,0]=4 11507 B17R2.41893 Nc1ccncc1SCc2cccc(c2)Cl 62a_100000047001_100000187163 [0,2,0,0,0,0|2,0,0]=4 11508 B17R2.41893 Nc1ccncc1SCc2cccc(c2)Cl 62a_100000187163_100000047001 [0,2,0,0,0,0|2,0,0]=4 11509 B17R2.41893 Nc1ccncc1SCc2cccc(c2)F 62a_100000047001_100000230114 [0,2,0,0,0,0|2,0,0]=4 11510 B17R2.41893 Nc1ccncc1SCc2cccc(c2)F 62a_100000230114_100000047001 [0,2,0,0,0,0|2,0,0]=4 11511 B17R2.41893 Nc1ccncc1SCc2cccc(c2)I 62a_100000047001_100011218688 [0,2,0,0,0,0|2,0,0]=4 11512 B17R2.41893 Nc1ccncc1SCc2cccc(c2)I 62a_100011218688_100000047001 [0,2,0,0,0,0|2,0,0]=4 11513 B17R2.41893 Nc1ccncc1SCc2cccc(c2)O 62a_100000047001_100011660834 [0,2,0,0,0,0|2,0,0]=4 11514 B17R2.41893 Nc1ccncc1SCc2cccc(c2)O 62a_100011660834_100000047001 [0,2,0,0,0,0|2,0,0]=4 11515 B17R2.41893 Nc1cncc(c1)SCc2ccccc2Br 62a_100000184730_100000687067 [0,2,0,0,0,0|2,0,0]=4 11516 B17R2.41893 Nc1cncc(c1)SCc2ccccc2Br 62a_100000687067_100000184730 [0,2,0,0,0,0|2,0,0]=4 11517 B17R2.41893 Nc1cncc(c1)SCc2ccccc2Cl 62a_100000187162_100000687067 [0,2,0,0,0,0|2,0,0]=4 11518 B17R2.41893 Nc1cncc(c1)SCc2ccccc2Cl 62a_100000687067_100000187162 [0,2,0,0,0,0|2,0,0]=4 11519 B17R2.41893 Nc1cncc(c1)SCc2ccccc2F 62a_100000211605_100000687067 [0,2,0,0,0,0|2,0,0]=4 11520 B17R2.41893 Nc1cncc(c1)SCc2ccccc2F 62a_100000687067_100000211605 [0,2,0,0,0,0|2,0,0]=4 11521 B17R2.41893 Nc1cncc(c1)SCc2ccccc2I 62a_100000687067_100011216222 [0,2,0,0,0,0|2,0,0]=4 11522 B17R2.41893 Nc1cncc(c1)SCc2ccccc2I 62a_100011216222_100000687067 [0,2,0,0,0,0|2,0,0]=4 11523 B17R2.41893 Nc1cnccc1SCc2cccc(c2)Br 62a_100000211773_100000756074 [0,2,0,0,0,0|2,0,0]=4 11524 B17R2.41893 Nc1cnccc1SCc2cccc(c2)Br 62a_100000756074_100000211773 [0,2,0,0,0,0|2,0,0]=4 11525 B17R2.41893 Nc1cnccc1SCc2cccc(c2)Cl 62a_100000187163_100000756074 [0,2,0,0,0,0|2,0,0]=4 11526 B17R2.41893 Nc1cnccc1SCc2cccc(c2)Cl 62a_100000756074_100000187163 [0,2,0,0,0,0|2,0,0]=4 11527 B17R2.41893 Nc1cnccc1SCc2cccc(c2)F 62a_100000230114_100000756074 [0,2,0,0,0,0|2,0,0]=4 11528 B17R2.41893 Nc1cnccc1SCc2cccc(c2)F 62a_100000756074_100000230114 [0,2,0,0,0,0|2,0,0]=4 11529 B17R2.41893 Nc1cnccc1SCc2cccc(c2)I 62a_100000756074_100011218688 [0,2,0,0,0,0|2,0,0]=4 11530 B17R2.41893 Nc1cnccc1SCc2cccc(c2)I 62a_100011218688_100000756074 [0,2,0,0,0,0|2,0,0]=4 11531 B17R2.41893 Nc1cnccc1SCc2cccc(c2)O 62a_100000756074_100011660834 [0,2,0,0,0,0|2,0,0]=4 11532 B17R2.41893 Nc1cnccc1SCc2cccc(c2)O 62a_100011660834_100000756074 [0,2,0,0,0,0|2,0,0]=4 11533 B17R2.41893 Nc1ncccc1SCc2cccc(c2)Br 62a_100000045569_100000211773 [0,2,0,0,0,0|2,0,0]=4 11534 B17R2.41893 Nc1ncccc1SCc2cccc(c2)Br 62a_100000211773_100000045569 [0,2,0,0,0,0|2,0,0]=4 11535 B17R2.41893 Nc1ncccc1SCc2cccc(c2)Cl 62a_100000045569_100000187163 [0,2,0,0,0,0|2,0,0]=4 11536 B17R2.41893 Nc1ncccc1SCc2cccc(c2)Cl 62a_100000187163_100000045569 [0,2,0,0,0,0|2,0,0]=4 11537 B17R2.41893 Nc1ncccc1SCc2cccc(c2)F 62a_100000045569_100000230114 [0,2,0,0,0,0|2,0,0]=4 11538 B17R2.41893 Nc1ncccc1SCc2cccc(c2)F 62a_100000230114_100000045569 [0,2,0,0,0,0|2,0,0]=4 11539 B17R2.41893 Nc1ncccc1SCc2cccc(c2)I 62a_100000045569_100011218688 [0,2,0,0,0,0|2,0,0]=4 11540 B17R2.41893 Nc1ncccc1SCc2cccc(c2)I 62a_100011218688_100000045569 [0,2,0,0,0,0|2,0,0]=4 11541 B17R2.41893 Nc1ncccc1SCc2cccc(c2)O 62a_100000045569_100011660834 [0,2,0,0,0,0|2,0,0]=4 11542 B17R2.41893 Nc1ncccc1SCc2cccc(c2)O 62a_100011660834_100000045569 [0,2,0,0,0,0|2,0,0]=4 11543 B17R2.41893 O=c1cc(cc[nH]1)SCc2ccccc2Br 62a_100000184730_100009816521 [0,2,0,0,0,0|2,0,0]=4 11544 B17R2.41893 O=c1cc(cc[nH]1)SCc2ccccc2Br 62a_100009816521_100000184730 [0,2,0,0,0,0|2,0,0]=4 11545 B17R2.41893 O=c1cc(cc[nH]1)SCc2ccccc2Cl 62a_100000187162_100009816521 [0,2,0,0,0,0|2,0,0]=4 11546 B17R2.41893 O=c1cc(cc[nH]1)SCc2ccccc2Cl 62a_100009816521_100000187162 [0,2,0,0,0,0|2,0,0]=4 11547 B17R2.41893 O=c1cc(cc[nH]1)SCc2ccccc2F 62a_100000211605_100009816521 [0,2,0,0,0,0|2,0,0]=4 11548 B17R2.41893 O=c1cc(cc[nH]1)SCc2ccccc2F 62a_100009816521_100000211605 [0,2,0,0,0,0|2,0,0]=4 11549 B17R2.41893 O=c1cc(cc[nH]1)SCc2ccccc2I 62a_100009816521_100011216222 [0,2,0,0,0,0|2,0,0]=4 11550 B17R2.41893 O=c1cc(cc[nH]1)SCc2ccccc2I 62a_100011216222_100009816521 [0,2,0,0,0,0|2,0,0]=4 11551 B17R2.41893 O=c1cc[nH]c(c1)SCc2ccccc2Br 62a_100009817434_100000184730 [0,2,0,0,0,0|2,0,0]=4 11552 B17R2.41893 O=c1cc[nH]c(c1)SCc2ccccc2Cl 62a_100009817434_100000187162 [0,2,0,0,0,0|2,0,0]=4 11553 B17R2.41893 O=c1cc[nH]c(c1)SCc2ccccc2F 62a_100009817434_100000211605 [0,2,0,0,0,0|2,0,0]=4 11554 B17R2.41893 O=c1cc[nH]c(c1)SCc2ccccc2I 62a_100009817434_100011216222 [0,2,0,0,0,0|2,0,0]=4 11555 B17R2.41893 O=c1cc[nH]cc1SCc2cccc(c2)Br 62a_100000211773_100009998708 [0,2,0,0,0,0|2,0,0]=4 11556 B17R2.41893 O=c1cc[nH]cc1SCc2cccc(c2)Br 62a_100009998708_100000211773 [0,2,0,0,0,0|2,0,0]=4 11557 B17R2.41893 O=c1cc[nH]cc1SCc2cccc(c2)Cl 62a_100000187163_100009998708 [0,2,0,0,0,0|2,0,0]=4 11558 B17R2.41893 O=c1cc[nH]cc1SCc2cccc(c2)Cl 62a_100009998708_100000187163 [0,2,0,0,0,0|2,0,0]=4 11559 B17R2.41893 O=c1cc[nH]cc1SCc2cccc(c2)F 62a_100000230114_100009998708 [0,2,0,0,0,0|2,0,0]=4 11560 B17R2.41893 O=c1cc[nH]cc1SCc2cccc(c2)F 62a_100009998708_100000230114 [0,2,0,0,0,0|2,0,0]=4 11561 B17R2.41893 O=c1cc[nH]cc1SCc2cccc(c2)I 62a_100009998708_100011218688 [0,2,0,0,0,0|2,0,0]=4 11562 B17R2.41893 O=c1cc[nH]cc1SCc2cccc(c2)I 62a_100011218688_100009998708 [0,2,0,0,0,0|2,0,0]=4 11563 B17R2.41893 O=c1cc[nH]cc1SCc2cccc(c2)O 62a_100009998708_100011660834 [0,2,0,0,0,0|2,0,0]=4 11564 B17R2.41893 O=c1cc[nH]cc1SCc2cccc(c2)O 62a_100011660834_100009998708 [0,2,0,0,0,0|2,0,0]=4 11565 B17R2.41893 O=c1cccc([nH]1)SCc2ccccc2Br 62a_100000184730_100000752884 [0,2,0,0,0,0|2,0,0]=4 11566 B17R2.41893 O=c1cccc([nH]1)SCc2ccccc2Cl 62a_100000187162_100000752884 [0,2,0,0,0,0|2,0,0]=4 11567 B17R2.41893 O=c1cccc([nH]1)SCc2ccccc2F 62a_100000211605_100000752884 [0,2,0,0,0,0|2,0,0]=4 11568 B17R2.41893 O=c1cccc([nH]1)SCc2ccccc2I 62a_100011216222_100000752884 [0,2,0,0,0,0|2,0,0]=4 11569 B17R2.41893 Oc1cccc(c1)C=Cc2ccccc2F 271570a_200102527919_100000211634 [0,2,0,0,0,0|2,0,0]=4 11570 B17R2.41893 Oc1cccc(c1)CNc2ccccc2Br 207a_100000210017_100000188321 [0,2,0,0,0,0|2,0,0]=4 11571 B17R2.41893 Oc1cccc(c1)CNc2ccccc2Br 34a_100000210017_100011660834 [0,2,0,0,0,0|2,0,0]=4 11572 B17R2.41893 Oc1cccc(c1)CNc2ccccc2Cl 207a_100000185783_100000188321 [0,2,0,0,0,0|2,0,0]=4 11573 B17R2.41893 Oc1cccc(c1)CNc2ccccc2Cl 34a_100000185783_100011660834 [0,2,0,0,0,0|2,0,0]=4 11574 B17R2.41893 Oc1cccc(c1)CNc2ccccc2F 207a_100000210422_100000188321 [0,2,0,0,0,0|2,0,0]=4 11575 B17R2.41893 Oc1cccc(c1)CNc2ccccc2F 34a_100000210422_100011660834 [0,2,0,0,0,0|2,0,0]=4 11576 B17R2.41893 Oc1cccc(c1)CNc2ccccc2I 207a_100000210053_100000188321 [0,2,0,0,0,0|2,0,0]=4 11577 B17R2.41893 Oc1cccc(c1)CNc2ccccc2I 34a_100000210053_100011660834 [0,2,0,0,0,0|2,0,0]=4 11578 B17R2.41893 Oc1cccc(c1)CNc2ccccc2O 34a_100000185747_100011660834 [0,2,0,0,0,0|2,0,0]=4 11579 B17R2.41893 Oc1cccc(c1)COc2ccccc2Br 34a_100000181306_100011660834 [0,2,0,0,0,0|1,1,0]=4 11580 B17R2.41893 Oc1cccc(c1)COc2ccccc2Br 7a_100000181306_100000084143 [0,2,0,0,0,0|1,1,0]=4 11581 B17R2.41893 Oc1cccc(c1)COc2ccccc2Cl 34a_100000210172_100011660834 [0,2,0,0,0,0|1,1,0]=4 11582 B17R2.41893 Oc1cccc(c1)COc2ccccc2Cl 7a_100000210172_100000084143 [0,2,0,0,0,0|1,1,0]=4 11583 B17R2.41893 Oc1cccc(c1)COc2ccccc2F 34a_100000210171_100011660834 [0,2,0,0,0,0|1,1,0]=4 11584 B17R2.41893 Oc1cccc(c1)COc2ccccc2F 7a_100000210171_100000084143 [0,2,0,0,0,0|1,1,0]=4 11585 B17R2.41893 Oc1cccc(c1)COc2ccccc2I 34a_100000739446_100011660834 [0,2,0,0,0,0|1,1,0]=4 11586 B17R2.41893 Oc1cccc(c1)COc2ccccc2I 7a_100000739446_100000084143 [0,2,0,0,0,0|1,1,0]=4 11587 B17R2.41893 Oc1cccc(c1)CSc2c[nH]ccc2=S 62a_100011660834_200012280681 [0,2,0,0,0,0|2,0,0]=4 11588 B17R2.41893 Oc1cccc(c1)CSc2c[nH]ccc2=S 62a_200012280681_100011660834 [0,2,0,0,0,0|2,0,0]=4 11589 B17R2.41893 Oc1cccc(c1)CSc2ccccc2Br 62a_100000695589_100011660834 [0,2,0,0,0,0|1,0,0]=3 11590 B17R2.41893 Oc1cccc(c1)CSc2ccccc2Br 62a_100011660834_100000695589 [0,2,0,0,0,0|1,0,0]=3 11591 B17R2.41893 Oc1cccc(c1)CSc2ccccc2Cl 62a_100000764095_100011660834 [0,2,0,0,0,0|1,0,0]=3 11592 B17R2.41893 Oc1cccc(c1)CSc2ccccc2Cl 62a_100011660834_100000764095 [0,2,0,0,0,0|1,0,0]=3 11593 B17R2.41893 Oc1cccc(c1)CSc2ccccc2F 62a_100011215700_100011660834 [0,2,0,0,0,0|1,0,0]=3 11594 B17R2.41893 Oc1cccc(c1)CSc2ccccc2F 62a_100011660834_100011215700 [0,2,0,0,0,0|1,0,0]=3 11595 B17R2.41893 Oc1cccc(c1)CSc2ccccc2O 62a_100000739446_100011660834 [0,2,0,0,0,0|1,0,0]=3 11596 B17R2.41893 Oc1cccc(c1)CSc2ccccc2O 62a_100011660834_100000739446 [0,2,0,0,0,0|1,0,0]=3 11597 B17R2.41893 Oc1cccc(c1)CSc2cccnc2Br 62a_100010202626_100011660834 [0,2,0,0,0,0|2,0,0]=4 11598 B17R2.41893 Oc1cccc(c1)CSc2cccnc2Br 62a_100011660834_100010202626 [0,2,0,0,0,0|2,0,0]=4 11599 B17R2.41893 Oc1cccc(c1)CSc2cccnc2Cl 62a_100000036424_100011660834 [0,2,0,0,0,0|2,0,0]=4 11600 B17R2.41893 Oc1cccc(c1)CSc2cccnc2Cl 62a_100011660834_100000036424 [0,2,0,0,0,0|2,0,0]=4 11601 B17R2.41893 Oc1cccc(c1)CSc2cccnc2F 62a_100009816115_100011660834 [0,2,0,0,0,0|2,0,0]=4 11602 B17R2.41893 Oc1cccc(c1)CSc2cccnc2F 62a_100011660834_100009816115 [0,2,0,0,0,0|2,0,0]=4 11603 B17R2.41893 Oc1cccc(c1)CSc2cccnc2O 62a_100000760158_100011660834 [0,2,0,0,0,0|2,0,0]=4 11604 B17R2.41893 Oc1cccc(c1)CSc2cccnc2O 62a_100011660834_100000760158 [0,2,0,0,0,0|2,0,0]=4 11605 B17R2.41893 Oc1cccc(c1)CSc2ccncc2Br 62a_100000726257_100011660834 [0,2,0,0,0,0|2,0,0]=4 11606 B17R2.41893 Oc1cccc(c1)CSc2ccncc2Br 62a_100011660834_100000726257 [0,2,0,0,0,0|2,0,0]=4 11607 B17R2.41893 Oc1cccc(c1)CSc2ccncc2Cl 62a_100000708259_100011660834 [0,2,0,0,0,0|2,0,0]=4 11608 B17R2.41893 Oc1cccc(c1)CSc2ccncc2Cl 62a_100011660834_100000708259 [0,2,0,0,0,0|2,0,0]=4 11609 B17R2.41893 Oc1cccc(c1)CSc2ccncc2F 62a_100000047030_100011660834 [0,2,0,0,0,0|2,0,0]=4 11610 B17R2.41893 Oc1cccc(c1)CSc2ccncc2F 62a_100011660834_100000047030 [0,2,0,0,0,0|2,0,0]=4 11611 B17R2.41893 Oc1cccc(c1)CSc2ccncc2O 62a_100009817591_100011660834 [0,2,0,0,0,0|2,0,0]=4 11612 B17R2.41893 Oc1cccc(c1)CSc2ccncc2O 62a_100011660834_100009817591 [0,2,0,0,0,0|2,0,0]=4 11613 B17R2.41893 Oc1cccc(c1)CSc2cnccc2Br 62a_100010138639_100011660834 [0,2,0,0,0,0|2,0,0]=4 11614 B17R2.41893 Oc1cccc(c1)CSc2cnccc2Br 62a_100011660834_100010138639 [0,2,0,0,0,0|2,0,0]=4 11615 B17R2.41893 Oc1cccc(c1)CSc2cnccc2Cl 62a_100009995489_100011660834 [0,2,0,0,0,0|2,0,0]=4 11616 B17R2.41893 Oc1cccc(c1)CSc2cnccc2Cl 62a_100011660834_100009995489 [0,2,0,0,0,0|2,0,0]=4 11617 B17R2.41893 Oc1cccc(c1)CSc2cnccc2F 62a_100009820683_100011660834 [0,2,0,0,0,0|2,0,0]=4 11618 B17R2.41893 Oc1cccc(c1)CSc2cnccc2F 62a_100011660834_100009820683 [0,2,0,0,0,0|2,0,0]=4 11619 B17R2.41893 Oc1cccc(c1)CSc2ncccc2Br 62a_100000696092_100011660834 [0,2,0,0,0,0|2,0,0]=4 11620 B17R2.41893 Oc1cccc(c1)CSc2ncccc2Br 62a_100011660834_100000696092 [0,2,0,0,0,0|2,0,0]=4 11621 B17R2.41893 Oc1cccc(c1)CSc2ncccc2Cl 62a_100011356963_100011660834 [0,2,0,0,0,0|2,0,0]=4 11622 B17R2.41893 Oc1cccc(c1)CSc2ncccc2Cl 62a_100011660834_100011356963 [0,2,0,0,0,0|2,0,0]=4 11623 B17R2.41893 Oc1cccc(c1)CSc2ncccc2F 62a_100000685392_100011660834 [0,2,0,0,0,0|2,0,0]=4 11624 B17R2.41893 Oc1cccc(c1)CSc2ncccc2F 62a_100011660834_100000685392 [0,2,0,0,0,0|2,0,0]=4 11625 B17R2.41893 Oc1cccc(c1)CSc2ncccc2O 62a_100000034122_100011660834 [0,2,0,0,0,0|2,0,0]=4 11626 B17R2.41893 Oc1cccc(c1)CSc2ncccc2O 62a_100011660834_100000034122 [0,2,0,0,0,0|2,0,0]=4 11627 B17R2.41893 Oc1cccc(c1)NCc2ccccc2Br 270302a_100000210217_100000211189 [0,2,0,0,0,0|2,0,0]=4 11628 B17R2.41893 Oc1cccc(c1)NCc2ccccc2Br 34a_100000210217_100000184730 [0,2,0,0,0,0|2,0,0]=4 11629 B17R2.41893 Oc1cccc(c1)NCc2ccccc2Cl 270302a_100000210217_100000210073 [0,2,0,0,0,0|2,0,0]=4 11630 B17R2.41893 Oc1cccc(c1)NCc2ccccc2Cl 34a_100000210217_100000187162 [0,2,0,0,0,0|2,0,0]=4 11631 B17R2.41893 Oc1cccc(c1)NCc2ccccc2F 270302a_100000210217_100000210811 [0,2,0,0,0,0|2,0,0]=4 11632 B17R2.41893 Oc1cccc(c1)NCc2ccccc2F 34a_100000210217_100000211605 [0,2,0,0,0,0|2,0,0]=4 11633 B17R2.41893 Oc1cccc(c1)NCc2ccccc2I 34a_100000210217_100011215278 [0,2,0,0,0,0|2,0,0]=4 11634 B17R2.41893 Oc1cccc(c1)NCc2ccccc2O 270302a_100000210217_100000185834 [0,2,0,0,0,0|2,0,0]=4 11635 B17R2.41893 Oc1cccc(c1)SCc2ccccc2Br 62a_100000184730_100000211634 [0,2,0,0,0,0|1,0,0]=3 11636 B17R2.41893 Oc1cccc(c1)SCc2ccccc2Cl 62a_100000187162_100000211634 [0,2,0,0,0,0|1,0,0]=3 11637 B17R2.41893 Oc1cccc(c1)SCc2ccccc2F 62a_100000211605_100000211634 [0,2,0,0,0,0|1,0,0]=3 11638 B17R2.41893 Oc1cccc(c1)SCc2ccccc2I 62a_100011216222_100000211634 [0,2,0,0,0,0|1,0,0]=3 11639 B17R2.41893 Oc1cccc(c1)SCc2cccnc2Br 62a_100010140945_100000211634 [0,2,0,0,0,0|2,0,0]=4 11640 B17R2.41893 Oc1cccc(c1)SCc2cccnc2Cl 62a_100000045678_100000211634 [0,2,0,0,0,0|2,0,0]=4 11641 B17R2.41893 Oc1cccc(c1)SCc2cccnc2F 62a_100000099810_100000211634 [0,2,0,0,0,0|2,0,0]=4 11642 B17R2.41893 Oc1cccc(c1)SCc2ccncc2Cl 62a_100000763264_100000211634 [0,2,0,0,0,0|2,0,0]=4 11643 B17R2.41893 Oc1cccc(c1)SCc2ncccc2Br 62a_100025702911_100000211634 [0,2,0,0,0,0|2,0,0]=4 11644 B17R2.41893 Oc1cccc(c1)SCc2ncccc2Cl 62a_100000099807_100000211634 [0,2,0,0,0,0|2,0,0]=4 11645 B17R2.41893 Oc1cccc(c1)SCc2ncccc2F 62a_100000104219_100000211634 [0,2,0,0,0,0|2,0,0]=4 11646 B17R2.41893 Oc1cccc(c1)SCc2ncccc2O 62a_200020655725_100000211634 [0,2,0,0,0,0|2,0,0]=4 11647 B17R2.41893 Oc1ccccc1C=Cc2cccc(c2)Cl 271570a_100102525933_100000739446 [0,2,0,0,0,0|2,0,0]=4 11648 B17R2.41893 Oc1ccccc1C=Cc2cccc(c2)F 271570a_100102525537_100000739446 [0,2,0,0,0,0|2,0,0]=4 11649 B17R2.41893 Oc1ccccc1CNc2cccc(c2)Br 270302a_100000210019_100000185834 [0,2,0,0,0,0|2,0,0]=4 11650 B17R2.41893 Oc1ccccc1CNc2cccc(c2)Cl 270302a_100000185859_100000185834 [0,2,0,0,0,0|2,0,0]=4 11651 B17R2.41893 Oc1ccccc1CNc2cccc(c2)F 270302a_100000210047_100000185834 [0,2,0,0,0,0|2,0,0]=4 11652 B17R2.41893 Oc1ccccc1CNc2cccc(c2)I 270302a_100000211102_100000185834 [0,2,0,0,0,0|2,0,0]=4 11653 B17R2.41893 Oc1ccccc1NCc2cccc(c2)Br 34a_100000185747_100000698116 [0,2,0,0,0,0|2,0,0]=4 11654 B17R2.41893 Oc1ccccc1NCc2cccc(c2)Cl 34a_100000185747_100000187163 [0,2,0,0,0,0|2,0,0]=4 11655 B17R2.41893 Oc1ccccc1NCc2cccc(c2)F 34a_100000185747_100000187166 [0,2,0,0,0,0|2,0,0]=4 11656 B17R2.41893 Oc1ccccc1NCc2cccc(c2)I 34a_100000185747_100011218688 [0,2,0,0,0,0|2,0,0]=4 11657 B17R2.41893 Oc1ccccc1SCc2cc(ccn2)Br 62a_100000739446_100010173614 [0,2,0,0,0,0|2,0,0]=4 11658 B17R2.41893 Oc1ccccc1SCc2cc(ccn2)Br 62a_100010173614_100000739446 [0,2,0,0,0,0|2,0,0]=4 11659 B17R2.41893 Oc1ccccc1SCc2cc(ccn2)Cl 62a_100000739446_100016988179 [0,2,0,0,0,0|2,0,0]=4 11660 B17R2.41893 Oc1ccccc1SCc2cc(ccn2)Cl 62a_100016988179_100000739446 [0,2,0,0,0,0|2,0,0]=4 11661 B17R2.41893 Oc1ccccc1SCc2cccc(c2)Br 62a_100000211773_100000739446 [0,2,0,0,0,0|1,0,0]=3 11662 B17R2.41893 Oc1ccccc1SCc2cccc(c2)Br 62a_100000739446_100000211773 [0,2,0,0,0,0|1,0,0]=3 11663 B17R2.41893 Oc1ccccc1SCc2cccc(c2)Cl 62a_100000187163_100000739446 [0,2,0,0,0,0|1,0,0]=3 11664 B17R2.41893 Oc1ccccc1SCc2cccc(c2)Cl 62a_100000739446_100000187163 [0,2,0,0,0,0|1,0,0]=3 11665 B17R2.41893 Oc1ccccc1SCc2cccc(c2)F 62a_100000230114_100000739446 [0,2,0,0,0,0|1,0,0]=3 11666 B17R2.41893 Oc1ccccc1SCc2cccc(c2)F 62a_100000739446_100000230114 [0,2,0,0,0,0|1,0,0]=3 11667 B17R2.41893 Oc1ccccc1SCc2cccc(c2)I 62a_100000739446_100011218688 [0,2,0,0,0,0|1,0,0]=3 11668 B17R2.41893 Oc1ccccc1SCc2cccc(c2)I 62a_100011218688_100000739446 [0,2,0,0,0,0|1,0,0]=3 11669 B17R2.41893 Oc1ccccc1SCc2cccc(n2)Br 62a_100000739446_100009889011 [0,2,0,0,0,0|2,0,0]=4 11670 B17R2.41893 Oc1ccccc1SCc2cccc(n2)Br 62a_100009889011_100000739446 [0,2,0,0,0,0|2,0,0]=4 11671 B17R2.41893 Oc1ccccc1SCc2cccc(n2)Cl 62a_100000086093_100000739446 [0,2,0,0,0,0|2,0,0]=4 11672 B17R2.41893 Oc1ccccc1SCc2cccc(n2)Cl 62a_100000739446_100000086093 [0,2,0,0,0,0|2,0,0]=4 11673 B17R2.41893 Oc1ccccc1SCc2cccc(n2)F 62a_100000739446_100009819644 [0,2,0,0,0,0|2,0,0]=4 11674 B17R2.41893 Oc1ccccc1SCc2cccc(n2)F 62a_100009819644_100000739446 [0,2,0,0,0,0|2,0,0]=4 11675 B17R2.41893 Oc1ccccc1SCc2ccnc(c2)Br 62a_100000739446_100010243470 [0,2,0,0,0,0|2,0,0]=4 11676 B17R2.41893 Oc1ccccc1SCc2ccnc(c2)Br 62a_100010254460_100000739446 [0,2,0,0,0,0|2,0,0]=4 11677 B17R2.41893 Oc1ccccc1SCc2ccnc(c2)Cl 62a_100000739446_100000764220 [0,2,0,0,0,0|2,0,0]=4 11678 B17R2.41893 Oc1ccccc1SCc2ccnc(c2)Cl 62a_100000764220_100000739446 [0,2,0,0,0,0|2,0,0]=4 11679 B17R2.41893 Oc1ccccc1SCc2cncc(c2)Br 62a_100000738771_100000739446 [0,2,0,0,0,0|2,0,0]=4 11680 B17R2.41893 Oc1ccccc1SCc2cncc(c2)Br 62a_100000739446_100000738771 [0,2,0,0,0,0|2,0,0]=4 11681 B17R2.41893 Oc1ccccc1SCc2cncc(c2)Cl 62a_100000739446_100016992070 [0,2,0,0,0,0|2,0,0]=4 11682 B17R2.41893 Oc1ccccc1SCc2cncc(c2)Cl 62a_100016992070_100000739446 [0,2,0,0,0,0|2,0,0]=4 11683 B17R2.41893 Oc1ccccc1SCc2cncc(c2)F 62a_100000725299_100000739446 [0,2,0,0,0,0|2,0,0]=4 11684 B17R2.41893 Oc1ccccc1SCc2cncc(c2)F 62a_100000739446_100000725299 [0,2,0,0,0,0|2,0,0]=4 11685 B17R2.41893 Oc1cccnc1CSc2cccc(c2)Br 62a_100000691529_200020655725 [0,2,0,0,0,0|2,0,0]=4 11686 B17R2.41893 Oc1cccnc1CSc2cccc(c2)Br 62a_200020655725_100000691529 [0,2,0,0,0,0|2,0,0]=4 11687 B17R2.41893 Oc1cccnc1CSc2cccc(c2)Cl 62a_100000699651_200020655725 [0,2,0,0,0,0|2,0,0]=4 11688 B17R2.41893 Oc1cccnc1CSc2cccc(c2)Cl 62a_200020655725_100000699651 [0,2,0,0,0,0|2,0,0]=4 11689 B17R2.41893 Oc1cccnc1CSc2cccc(c2)F 62a_100000685547_200020655725 [0,2,0,0,0,0|2,0,0]=4 11690 B17R2.41893 Oc1cccnc1CSc2cccc(c2)F 62a_200020655725_100000685547 [0,2,0,0,0,0|2,0,0]=4 11691 B17R2.41893 Oc1cccnc1CSc2cccc(c2)[S] 62a_114929384022_200020655725 [0,2,0,0,0,0|2,0,0]=4 11692 B17R2.41893 Oc1cccnc1CSc2cccc(c2)[S] 62a_200020655725_114929384022 [0,2,0,0,0,0|2,0,0]=4 11693 B17R2.41893 Oc1cccnc1SCc2cccc(c2)Br 62a_100000034122_100000211773 [0,2,0,0,0,0|2,0,0]=4 11694 B17R2.41893 Oc1cccnc1SCc2cccc(c2)Br 62a_100000211773_100000034122 [0,2,0,0,0,0|2,0,0]=4 11695 B17R2.41893 Oc1cccnc1SCc2cccc(c2)Cl 62a_100000034122_100000187163 [0,2,0,0,0,0|2,0,0]=4 11696 B17R2.41893 Oc1cccnc1SCc2cccc(c2)Cl 62a_100000187163_100000034122 [0,2,0,0,0,0|2,0,0]=4 11697 B17R2.41893 Oc1cccnc1SCc2cccc(c2)F 62a_100000034122_100000230114 [0,2,0,0,0,0|2,0,0]=4 11698 B17R2.41893 Oc1cccnc1SCc2cccc(c2)F 62a_100000230114_100000034122 [0,2,0,0,0,0|2,0,0]=4 11699 B17R2.41893 Oc1cccnc1SCc2cccc(c2)I 62a_100000034122_100011218688 [0,2,0,0,0,0|2,0,0]=4 11700 B17R2.41893 Oc1cccnc1SCc2cccc(c2)I 62a_100011218688_100000034122 [0,2,0,0,0,0|2,0,0]=4 11701 B17R2.41893 Oc1ccnc(c1)SCc2ccccc2Br 62a_100000184730_100000762945 [0,2,0,0,0,0|2,0,0]=4 11702 B17R2.41893 Oc1ccnc(c1)SCc2ccccc2Cl 62a_100000187162_100000762945 [0,2,0,0,0,0|2,0,0]=4 11703 B17R2.41893 Oc1ccnc(c1)SCc2ccccc2F 62a_100000211605_100000762945 [0,2,0,0,0,0|2,0,0]=4 11704 B17R2.41893 Oc1ccnc(c1)SCc2ccccc2I 62a_100011216222_100000762945 [0,2,0,0,0,0|2,0,0]=4 11705 B17R2.41893 Oc1cncc(c1)SCc2ccccc2Br 62a_100000184730_100000754920 [0,2,0,0,0,0|2,0,0]=4 11706 B17R2.41893 Oc1cncc(c1)SCc2ccccc2Br 62a_100000754920_100000184730 [0,2,0,0,0,0|2,0,0]=4 11707 B17R2.41893 Oc1cncc(c1)SCc2ccccc2Cl 62a_100000187162_100000754920 [0,2,0,0,0,0|2,0,0]=4 11708 B17R2.41893 Oc1cncc(c1)SCc2ccccc2Cl 62a_100000754920_100000187162 [0,2,0,0,0,0|2,0,0]=4 11709 B17R2.41893 Oc1cncc(c1)SCc2ccccc2F 62a_100000211605_100000754920 [0,2,0,0,0,0|2,0,0]=4 11710 B17R2.41893 Oc1cncc(c1)SCc2ccccc2F 62a_100000754920_100000211605 [0,2,0,0,0,0|2,0,0]=4 11711 B17R2.41893 Oc1cncc(c1)SCc2ccccc2I 62a_100000754920_100011216222 [0,2,0,0,0,0|2,0,0]=4 11712 B17R2.41893 Oc1cncc(c1)SCc2ccccc2I 62a_100011216222_100000754920 [0,2,0,0,0,0|2,0,0]=4 11713 B17R2.41893 Oc1cnccc1SCc2cccc(c2)Br 62a_100000211773_100009817591 [0,2,0,0,0,0|2,0,0]=4 11714 B17R2.41893 Oc1cnccc1SCc2cccc(c2)Br 62a_100009817591_100000211773 [0,2,0,0,0,0|2,0,0]=4 11715 B17R2.41893 Oc1cnccc1SCc2cccc(c2)Cl 62a_100000187163_100009817591 [0,2,0,0,0,0|2,0,0]=4 11716 B17R2.41893 Oc1cnccc1SCc2cccc(c2)Cl 62a_100009817591_100000187163 [0,2,0,0,0,0|2,0,0]=4 11717 B17R2.41893 Oc1cnccc1SCc2cccc(c2)F 62a_100000230114_100009817591 [0,2,0,0,0,0|2,0,0]=4 11718 B17R2.41893 Oc1cnccc1SCc2cccc(c2)F 62a_100009817591_100000230114 [0,2,0,0,0,0|2,0,0]=4 11719 B17R2.41893 Oc1cnccc1SCc2cccc(c2)I 62a_100009817591_100011218688 [0,2,0,0,0,0|2,0,0]=4 11720 B17R2.41893 Oc1cnccc1SCc2cccc(c2)I 62a_100011218688_100009817591 [0,2,0,0,0,0|2,0,0]=4 11721 B17R2.41893 Oc1ncccc1SCc2cccc(c2)Br 62a_100000211773_100000760158 [0,2,0,0,0,0|2,0,0]=4 11722 B17R2.41893 Oc1ncccc1SCc2cccc(c2)Br 62a_100000760158_100000211773 [0,2,0,0,0,0|2,0,0]=4 11723 B17R2.41893 Oc1ncccc1SCc2cccc(c2)Cl 62a_100000187163_100000760158 [0,2,0,0,0,0|2,0,0]=4 11724 B17R2.41893 Oc1ncccc1SCc2cccc(c2)Cl 62a_100000760158_100000187163 [0,2,0,0,0,0|2,0,0]=4 11725 B17R2.41893 Oc1ncccc1SCc2cccc(c2)F 62a_100000230114_100000760158 [0,2,0,0,0,0|2,0,0]=4 11726 B17R2.41893 Oc1ncccc1SCc2cccc(c2)F 62a_100000760158_100000230114 [0,2,0,0,0,0|2,0,0]=4 11727 B17R2.41893 Oc1ncccc1SCc2cccc(c2)I 62a_100000760158_100011218688 [0,2,0,0,0,0|2,0,0]=4 11728 B17R2.41893 Oc1ncccc1SCc2cccc(c2)I 62a_100011218688_100000760158 [0,2,0,0,0,0|2,0,0]=4 11729 B17R2.41893 S=c1cc[nH]cc1SCc2cccc(c2)Br 62a_100000211773_200012280681 [0,2,0,0,0,0|2,0,0]=4 11730 B17R2.41893 S=c1cc[nH]cc1SCc2cccc(c2)Br 62a_200012280681_100000211773 [0,2,0,0,0,0|2,0,0]=4 11731 B17R2.41893 S=c1cc[nH]cc1SCc2cccc(c2)Cl 62a_100000187163_200012280681 [0,2,0,0,0,0|2,0,0]=4 11732 B17R2.41893 S=c1cc[nH]cc1SCc2cccc(c2)Cl 62a_200012280681_100000187163 [0,2,0,0,0,0|2,0,0]=4 11733 B17R2.41893 S=c1cc[nH]cc1SCc2cccc(c2)I 62a_100011218688_200012280681 [0,2,0,0,0,0|2,0,0]=4 11734 B17R2.41893 S=c1cc[nH]cc1SCc2cccc(c2)I 62a_200012280681_100011218688 [0,2,0,0,0,0|2,0,0]=4 11735 B17R2.41893 [O-][n+]1cccc(c1)SCc2ccccc2Br 62a_100000184730_100009815978 [0,2,0,0,0,0|2,0,0]=4 11736 B17R2.41893 [O-][n+]1cccc(c1)SCc2ccccc2Cl 62a_100000187162_100009815978 [0,2,0,0,0,0|2,0,0]=4 11737 B17R2.41893 [O-][n+]1cccc(c1)SCc2ccccc2F 62a_100000211605_100009815978 [0,2,0,0,0,0|2,0,0]=4 11738 B17R2.41893 [O-][n+]1cccc(c1)SCc2ccccc2I 62a_100011216222_100009815978 [0,2,0,0,0,0|2,0,0]=4 11739 B17R2.41893 [O-][n+]1ccccc1SCc2cccc(c2)Br 62a_100000211773_200000042595 [0,2,0,0,0,0|2,0,0]=4 11740 B17R2.41893 [O-][n+]1ccccc1SCc2cccc(c2)Cl 62a_100000187163_200000042595 [0,2,0,0,0,0|2,0,0]=4 11741 B17R2.41893 [O-][n+]1ccccc1SCc2cccc(c2)F 62a_100000230114_200000042595 [0,2,0,0,0,0|2,0,0]=4 11742 B17R2.41893 [O-][n+]1ccccc1SCc2cccc(c2)I 62a_100011218688_200000042595 [0,2,0,0,0,0|2,0,0]=4 11743 B17R2.41893 [O-][n+]1ccccc1SCc2cccc(c2)O 62a_100011660834_200000042595 [0,2,0,0,0,0|2,0,0]=4 11744 B17R2.41893 [S]c1cccc(c1)SCc2ccccc2Br 62a_100000184730_114929384022 [0,2,0,0,0,0|1,0,0]=3 11745 B17R2.41893 [S]c1cccc(c1)SCc2ccccc2Br 62a_114929384022_100000184730 [0,2,0,0,0,0|1,0,0]=3 11746 B17R2.41893 [S]c1cccc(c1)SCc2ccccc2Cl 62a_100000187162_114929384022 [0,2,0,0,0,0|1,0,0]=3 11747 B17R2.41893 [S]c1cccc(c1)SCc2ccccc2Cl 62a_114929384022_100000187162 [0,2,0,0,0,0|1,0,0]=3 11748 B17R2.41893 [S]c1cccc(c1)SCc2ccccc2I 62a_100011216222_114929384022 [0,2,0,0,0,0|1,0,0]=3 11749 B17R2.41893 [S]c1cccc(c1)SCc2ccccc2I 62a_114929384022_100011216222 [0,2,0,0,0,0|1,0,0]=3 11750 B17R2.41893 [S]c1cccc(c1)SCc2cccnc2Br 62a_100010140945_114929384022 [0,2,0,0,0,0|2,0,0]=4 11751 B17R2.41893 [S]c1cccc(c1)SCc2cccnc2Br 62a_114929384022_100010140945 [0,2,0,0,0,0|2,0,0]=4 11752 B17R2.41893 [S]c1cccc(c1)SCc2cccnc2Cl 62a_100000045678_114929384022 [0,2,0,0,0,0|2,0,0]=4 11753 B17R2.41893 [S]c1cccc(c1)SCc2cccnc2Cl 62a_114929384022_100000045678 [0,2,0,0,0,0|2,0,0]=4 11754 B17R2.41893 [S]c1cccc(c1)SCc2ccncc2Cl 62a_100000763264_114929384022 [0,2,0,0,0,0|2,0,0]=4 11755 B17R2.41893 [S]c1cccc(c1)SCc2ccncc2Cl 62a_114929384022_100000763264 [0,2,0,0,0,0|2,0,0]=4 11756 B17R2.41893 [S]c1cccc(c1)SCc2ncccc2Br 62a_100025702911_114929384022 [0,2,0,0,0,0|2,0,0]=4 11757 B17R2.41893 [S]c1cccc(c1)SCc2ncccc2Br 62a_114929384022_100025702911 [0,2,0,0,0,0|2,0,0]=4 11758 B17R2.41893 [S]c1cccc(c1)SCc2ncccc2Cl 62a_100000099807_114929384022 [0,2,0,0,0,0|2,0,0]=4 11759 B17R2.41893 [S]c1cccc(c1)SCc2ncccc2Cl 62a_114929384022_100000099807 [0,2,0,0,0,0|2,0,0]=4 11760 B17R2.162 C=CC(Sc1ccccc1)c2ccccc2 62a_100000719477_200000085779 [0,2,0,0,0,0|1,0,0]=3 11761 B17R2.162 C=CC(Sc1ccccc1)c2ccccc2 62a_200000085779_100000041952 [0,2,0,0,0,0|1,0,0]=3 11762 B17R2.162 C=CC(Sc1ccccn1)c2ccccc2 62a_100011216584_200000085779 [0,2,0,0,0,0|2,0,0]=4 11763 B17R2.162 C=CC(Sc1ccccn1)c2ccccc2 62a_200000085779_100011216584 [0,2,0,0,0,0|2,0,0]=4 11764 B17R2.162 C=CC(Sc1cccnc1)c2ccccc2 62a_100000210063_200000085779 [0,2,0,0,0,0|2,0,0]=4 11765 B17R2.162 C=CC(Sc1cccnc1)c2ccccc2 62a_200000085779_100000210063 [0,2,0,0,0,0|2,0,0]=4 11766 B17R2.162 C=CC(Sc1ccncc1)c2ccccc2 62a_100000728582_200000085779 [0,2,0,0,0,0|2,0,0]=4 11767 B17R2.162 C=CC(Sc1ccncc1)c2ccccc2 62a_200000085779_100000728582 [0,2,0,0,0,0|2,0,0]=4 11768 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 2230a_100000188819_100000210202 [0,2,0,0,0,0|2,0,0]=4 11769 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 2230a_100000210013_100015291786 [0,2,0,0,0,0|2,0,0]=4 11770 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100000204670 [0,2,0,0,0,0|2,0,0]=4 11771 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 269982a_100000210013_100000211182 [0,2,0,0,0,0|2,0,0]=4 11772 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 34a_100000188819_100000210202 [0,2,0,0,0,0|2,0,0]=4 11773 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 34a_100000210013_100015291786 [0,2,0,0,0,0|2,0,0]=4 11774 B17R2.162 CNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_200000210301 [0,2,0,0,0,0|2,0,0]=4 11775 B17R2.162 COC(Cc1ccccc1)c2ccccc2 34a_100000246494_200000210301 [0,2,0,0,0,0|2,0,0]=4 11776 B17R2.162 COC(Cc1ccccc1)c2ccccc2 7a_100000246494_200000210301 [0,2,0,0,0,0|2,0,0]=4 11777 B17R2.162 FCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100015361967 [0,2,0,0,0,0|2,0,0]=4 11778 B17R2.162 FCN(Cc1ccccc1)c2ccccc2 34a_100000188819_100015361967 [0,2,0,0,0,0|2,0,0]=4 11779 B17R2.162 [13CH3]NC(Cc1ccccc1)c2ccccc2 2230a_100025772854_200025704644 [0,2,0,0,0,0|2,0,0]=4 11780 B17R2.162 [13CH3]OC(Cc1ccccc1)c2ccccc2 34a_100000246494_200025704644 [0,2,0,0,0,0|2,0,0]=4 11781 B17R2.162 [13CH3]OC(Cc1ccccc1)c2ccccc2 7a_100000246494_200025704644 [0,2,0,0,0,0|2,0,0]=4 11782 B17R2.192 CC(Nc1ccccc1)c2ccc(cc2)Br 34a_100000106764_100000755118 [0,2,0,0,0,0|2,0,0]=4 11783 B17R2.192 CC(Nc1ccccc1)c2ccc(cc2)F 34a_100000106764_100000743420 [0,2,0,0,0,0|2,0,0]=4 11784 B17R2.192 CC(Oc1ccccc1)c2ccc(cc2)Br 34a_100000210340_100000755118 [0,2,0,0,0,0|1,1,0]=4 11785 B17R2.192 CC(Oc1ccccc1)c2ccc(cc2)Cl 7a_100000210340_100000684792 [0,2,0,0,0,0|1,1,0]=4 11786 B17R2.192 CC(Oc1ccccc1)c2ccc(cc2)F 34a_100000210340_100000743420 [0,2,0,0,0,0|1,1,0]=4 11787 B17R2.192 CC(Oc1ccccc1)c2ccc(cc2)F 7a_100000210340_100000743420 [0,2,0,0,0,0|1,1,0]=4 11788 B17R2.192 CC(Sc1ccccc1)c2ccc(cc2)Br 62a_100000719477_100000755118 [0,2,0,0,0,0|1,0,0]=3 11789 B17R2.192 CC(Sc1ccccc1)c2ccc(cc2)Br 62a_100000755118_100000041952 [0,2,0,0,0,0|1,0,0]=3 11790 B17R2.192 CC(Sc1ccccc1)c2ccc(cc2)Cl 62a_100000684792_100000041952 [0,2,0,0,0,0|1,0,0]=3 11791 B17R2.192 CC(Sc1ccccc1)c2ccc(cc2)Cl 62a_100000719477_100000684792 [0,2,0,0,0,0|1,0,0]=3 11792 B17R2.192 CC(Sc1ccccc1)c2ccc(cc2)F 62a_100000719477_100000743420 [0,2,0,0,0,0|1,0,0]=3 11793 B17R2.192 CC(Sc1ccccc1)c2ccc(cc2)F 62a_100000743420_100000041952 [0,2,0,0,0,0|1,0,0]=3 11794 B17R2.192 CC(Sc1ccccn1)c2ccc(cc2)Br 62a_100000755118_100011216584 [0,2,0,0,0,0|2,0,0]=4 11795 B17R2.192 CC(Sc1ccccn1)c2ccc(cc2)Br 62a_100011216584_100000755118 [0,2,0,0,0,0|2,0,0]=4 11796 B17R2.192 CC(Sc1ccccn1)c2ccc(cc2)Cl 62a_100000684792_100011216584 [0,2,0,0,0,0|2,0,0]=4 11797 B17R2.192 CC(Sc1ccccn1)c2ccc(cc2)Cl 62a_100011216584_100000684792 [0,2,0,0,0,0|2,0,0]=4 11798 B17R2.192 CC(Sc1ccccn1)c2ccc(cc2)F 62a_100000743420_100011216584 [0,2,0,0,0,0|2,0,0]=4 11799 B17R2.192 CC(Sc1ccccn1)c2ccc(cc2)F 62a_100011216584_100000743420 [0,2,0,0,0,0|2,0,0]=4 11800 B17R2.192 CC(Sc1cccnc1)c2ccc(cc2)Br 62a_100000210063_100000755118 [0,2,0,0,0,0|2,0,0]=4 11801 B17R2.192 CC(Sc1cccnc1)c2ccc(cc2)Br 62a_100000755118_100000210063 [0,2,0,0,0,0|2,0,0]=4 11802 B17R2.192 CC(Sc1cccnc1)c2ccc(cc2)Cl 62a_100000210063_100000684792 [0,2,0,0,0,0|2,0,0]=4 11803 B17R2.192 CC(Sc1cccnc1)c2ccc(cc2)Cl 62a_100000684792_100000210063 [0,2,0,0,0,0|2,0,0]=4 11804 B17R2.192 CC(Sc1cccnc1)c2ccc(cc2)F 62a_100000210063_100000743420 [0,2,0,0,0,0|2,0,0]=4 11805 B17R2.192 CC(Sc1cccnc1)c2ccc(cc2)F 62a_100000743420_100000210063 [0,2,0,0,0,0|2,0,0]=4 11806 B17R2.192 CC(Sc1ccncc1)c2ccc(cc2)Br 62a_100000728582_100000755118 [0,2,0,0,0,0|2,0,0]=4 11807 B17R2.192 CC(Sc1ccncc1)c2ccc(cc2)Br 62a_100000755118_100000728582 [0,2,0,0,0,0|2,0,0]=4 11808 B17R2.192 CC(Sc1ccncc1)c2ccc(cc2)Cl 62a_100000684792_100000728582 [0,2,0,0,0,0|2,0,0]=4 11809 B17R2.192 CC(Sc1ccncc1)c2ccc(cc2)Cl 62a_100000728582_100000684792 [0,2,0,0,0,0|2,0,0]=4 11810 B17R2.192 CC(Sc1ccncc1)c2ccc(cc2)F 62a_100000728582_100000743420 [0,2,0,0,0,0|2,0,0]=4 11811 B17R2.192 CC(Sc1ccncc1)c2ccc(cc2)F 62a_100000743420_100000728582 [0,2,0,0,0,0|2,0,0]=4 11812 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Br 2230a_100000187040_200000210301 [0,2,0,0,0,0|2,0,0]=4 11813 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Br 2230a_100000219623_100015291786 [0,2,0,0,0,0|2,0,0]=4 11814 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Br 269982a_100000187040_200000210301 [0,2,0,0,0,0|2,0,0]=4 11815 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Br 269982a_100000219623_100000211182 [0,2,0,0,0,0|2,0,0]=4 11816 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Br 34a_100000187040_200000210301 [0,2,0,0,0,0|2,0,0]=4 11817 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Br 34a_100000219623_100015291786 [0,2,0,0,0,0|2,0,0]=4 11818 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Cl 2230a_100000187391_200000210301 [0,2,0,0,0,0|2,0,0]=4 11819 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Cl 2230a_100020629279_100015291786 [0,2,0,0,0,0|2,0,0]=4 11820 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Cl 269982a_100000187391_200000210301 [0,2,0,0,0,0|2,0,0]=4 11821 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Cl 269982a_100020629279_100000211182 [0,2,0,0,0,0|2,0,0]=4 11822 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Cl 34a_100000187391_200000210301 [0,2,0,0,0,0|2,0,0]=4 11823 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)Cl 34a_100020629279_100015291786 [0,2,0,0,0,0|2,0,0]=4 11824 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)F 2230a_100000219829_100015291786 [0,2,0,0,0,0|2,0,0]=4 11825 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)F 269982a_100000219829_100000211182 [0,2,0,0,0,0|2,0,0]=4 11826 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)F 34a_100000219829_100015291786 [0,2,0,0,0,0|2,0,0]=4 11827 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)I 2230a_100000743151_100015291786 [0,2,0,0,0,0|2,0,0]=4 11828 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)I 269982a_100000743151_100000211182 [0,2,0,0,0,0|2,0,0]=4 11829 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)I 34a_100000743151_100015291786 [0,2,0,0,0,0|2,0,0]=4 11830 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)O 269982a_100000182112_100000211182 [0,2,0,0,0,0|2,0,0]=4 11831 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)O 269982a_200000188756_200000210301 [0,2,0,0,0,0|2,0,0]=4 11832 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)O 34a_100000182112_100015291786 [0,2,0,0,0,0|2,0,0]=4 11833 B17R2.192 CN(Cc1ccccc1)c2ccc(cc2)O 34a_200000188756_200000210301 [0,2,0,0,0,0|2,0,0]=4 11834 B17R2.192 Cc1ccc(cc1)C(=O)Cc2ccccc2 1458a_100000188618_100015291786 [0,2,0,0,0,0|2,0,0]=4 11835 B17R2.192 Cc1ccc(cc1)C(=O)Nc2ccccc2 11a_100000106764_100000188618 [0,2,0,0,0,0|2,0,0]=4 11836 B17R2.192 Cc1ccc(cc1)C(=O)Nc2ccccc2 1626a_100000106764_100000188618 [0,2,0,0,0,0|2,0,0]=4 11837 B17R2.192 Cc1ccc(cc1)C(=O)Nc2ccccc2 22a_100000106764_100000188618 [0,2,0,0,0,0|2,0,0]=4 11838 B17R2.192 Cc1ccc(cc1)C(=O)Nc2ccccc2 527a_100000106764_100000188618 [0,2,0,0,0,0|2,0,0]=4 11839 B17R2.192 Cc1ccc(cc1)C(C)Nc2ccccc2 34a_100000106764_100011261388 [0,2,0,0,0,0|2,0,0]=4 11840 B17R2.192 Cc1ccc(cc1)C(C)Oc2ccccc2 34a_100000210340_100011261388 [0,2,0,0,0,0|1,1,0]=4 11841 B17R2.192 Cc1ccc(cc1)C(C)Oc2ccccc2 7a_100000210340_100011261388 [0,2,0,0,0,0|1,1,0]=4 11842 B17R2.192 Cc1ccc(cc1)C(C)Sc2ccccc2 62a_100000719477_100011261388 [0,2,0,0,0,0|1,0,0]=3 11843 B17R2.192 Cc1ccc(cc1)C(C)Sc2ccccc2 62a_100011261388_100000041952 [0,2,0,0,0,0|1,0,0]=3 11844 B17R2.192 Cc1ccc(cc1)C(C)Sc2ccccn2 62a_100011216584_100011261388 [0,2,0,0,0,0|2,0,0]=4 11845 B17R2.192 Cc1ccc(cc1)C(C)Sc2ccccn2 62a_100011261388_100011216584 [0,2,0,0,0,0|2,0,0]=4 11846 B17R2.192 Cc1ccc(cc1)C(C)Sc2cccnc2 62a_100000210063_100011261388 [0,2,0,0,0,0|2,0,0]=4 11847 B17R2.192 Cc1ccc(cc1)C(C)Sc2cccnc2 62a_100011261388_100000210063 [0,2,0,0,0,0|2,0,0]=4 11848 B17R2.192 Cc1ccc(cc1)C(C)Sc2ccncc2 62a_100000728582_100011261388 [0,2,0,0,0,0|2,0,0]=4 11849 B17R2.192 Cc1ccc(cc1)C(C)Sc2ccncc2 62a_100011261388_100000728582 [0,2,0,0,0,0|2,0,0]=4 11850 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccc2 2230a_100000185259_200000210301 [0,2,0,0,0,0|2,0,0]=4 11851 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccc2 2230a_100000219977_100015291786 [0,2,0,0,0,0|2,0,0]=4 11852 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccc2 269982a_100000185259_200000210301 [0,2,0,0,0,0|2,0,0]=4 11853 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccc2 269982a_100000219977_100000211182 [0,2,0,0,0,0|2,0,0]=4 11854 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccc2 34a_100000185259_200000210301 [0,2,0,0,0,0|2,0,0]=4 11855 B17R2.192 Cc1ccc(cc1)N(C)Cc2ccccc2 34a_100000219977_100015291786 [0,2,0,0,0,0|2,0,0]=4 11856 B17R2.192 Cc1ccc(cc1)N([13CH3])Cc2ccccc2 2230a_100000185259_200025704644 [0,2,0,0,0,0|2,0,0]=4 11857 B17R2.192 Cc1ccc(cc1)N([13CH3])Cc2ccccc2 269982a_100000185259_200025704644 [0,2,0,0,0,0|2,0,0]=4 11858 B17R2.192 Cc1ccc(cc1)N([13CH3])Cc2ccccc2 34a_100000185259_200025704644 [0,2,0,0,0,0|2,0,0]=4 11859 B17R2.192 O=C(Cc1ccccc1)c2ccc(cc2)Br 1458a_100000185839_100015291786 [0,2,0,0,0,0|2,0,0]=4 11860 B17R2.192 O=C(Cc1ccccc1)c2ccc(cc2)Cl 1458a_100000210187_100015291786 [0,2,0,0,0,0|2,0,0]=4 11861 B17R2.192 O=C(Cc1ccccc1)c2ccc(cc2)F 1458a_100000187176_100015291786 [0,2,0,0,0,0|2,0,0]=4 11862 B17R2.192 O=C(Cc1ccccc1)c2ccc(cc2)I 1458a_100000187904_100015291786 [0,2,0,0,0,0|2,0,0]=4 11863 B17R2.192 O=C(Cc1ccccc1)c2ccc(cc2)O 1458a_100000212099_100015291786 [0,2,0,0,0,0|2,0,0]=4 11864 B17R2.192 O=C(Cc1ccccc1)c2ccc(cc2)O 271570a_203496583355_100000185893 [0,2,0,0,0,0|2,0,0]=4 11865 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Br 11a_100000106764_100000185839 [0,2,0,0,0,0|2,0,0]=4 11866 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Br 1626a_100000106764_100000185839 [0,2,0,0,0,0|2,0,0]=4 11867 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Br 22a_100000106764_100000185839 [0,2,0,0,0,0|2,0,0]=4 11868 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Br 527a_100000106764_100000185839 [0,2,0,0,0,0|2,0,0]=4 11869 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Cl 11a_100000106764_100000210187 [0,2,0,0,0,0|2,0,0]=4 11870 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Cl 1626a_100000106764_100000210187 [0,2,0,0,0,0|2,0,0]=4 11871 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Cl 22a_100000106764_100000210187 [0,2,0,0,0,0|2,0,0]=4 11872 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)Cl 527a_100000106764_100000210187 [0,2,0,0,0,0|2,0,0]=4 11873 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)F 11a_100000106764_100000187176 [0,2,0,0,0,0|2,0,0]=4 11874 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)F 1626a_100000106764_100000187176 [0,2,0,0,0,0|2,0,0]=4 11875 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)F 22a_100000106764_100000187176 [0,2,0,0,0,0|2,0,0]=4 11876 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)F 527a_100000106764_100000187176 [0,2,0,0,0,0|2,0,0]=4 11877 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)I 11a_100000106764_100000187904 [0,2,0,0,0,0|2,0,0]=4 11878 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)I 1626a_100000106764_100000187904 [0,2,0,0,0,0|2,0,0]=4 11879 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)I 22a_100000106764_100000187904 [0,2,0,0,0,0|2,0,0]=4 11880 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)I 527a_100000106764_100000187904 [0,2,0,0,0,0|2,0,0]=4 11881 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)O 22a_100000106764_100000212099 [0,2,0,0,0,0|2,0,0]=4 11882 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)O 271570a_203496583355_200000153473 [0,2,0,0,0,0|2,0,0]=4 11883 B17R2.192 O=C(Nc1ccccc1)c2ccc(cc2)O 527a_100000106764_100000212099 [0,2,0,0,0,0|2,0,0]=4 11884 B17R2.192 O=C(Oc1ccccc1)c2ccc(cc2)O 271570a_203496583355_100029575162 [0,2,0,0,0,0|1,1,0]=4 11885 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)Br 2230a_100000187040_200025704644 [0,2,0,0,0,0|2,0,0]=4 11886 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)Br 269982a_100000187040_200025704644 [0,2,0,0,0,0|2,0,0]=4 11887 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)Br 34a_100000187040_200025704644 [0,2,0,0,0,0|2,0,0]=4 11888 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)Cl 2230a_100000187391_200025704644 [0,2,0,0,0,0|2,0,0]=4 11889 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)Cl 269982a_100000187391_200025704644 [0,2,0,0,0,0|2,0,0]=4 11890 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)Cl 34a_100000187391_200025704644 [0,2,0,0,0,0|2,0,0]=4 11891 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)O 269982a_200000188756_200025704644 [0,2,0,0,0,0|2,0,0]=4 11892 B17R2.192 [13CH3]N(Cc1ccccc1)c2ccc(cc2)O 34a_200000188756_200025704644 [0,2,0,0,0,0|2,0,0]=4 11893 B17R2.209 CC(Cc1ccc(cc1)Br)c2ccccc2 271570a_100000062452_100000752885 [0,2,0,0,0,0|2,0,0]=4 11894 B17R2.209 CC(Cc1ccc(cc1)Cl)c2ccccc2 271570a_100000062452_100000755918 [0,2,0,0,0,0|2,0,0]=4 11895 B17R2.209 CC(Cc1ccc(cc1)F)c2ccccc2 271570a_100000062452_100000211213 [0,2,0,0,0,0|2,0,0]=4 11896 B17R2.209 CC(Cc1ccc(cc1)N)c2ccccc2 271570a_100000062452_100000185761 [0,2,0,0,0,0|2,0,0]=4 11897 B17R2.209 CC(Cc1ccc(cc1)O)c2ccccc2 271570a_100000062452_100000185759 [0,2,0,0,0,0|2,0,0]=4 11898 B17R2.209 CC(Nc1ccc(cc1)Br)c2ccccc2 2230a_100000210018_100000230085 [0,2,0,0,0,0|2,0,0]=4 11899 B17R2.209 CC(Nc1ccc(cc1)Br)c2ccccc2 34a_100000210018_100000211855 [0,2,0,0,0,0|2,0,0]=4 11900 B17R2.209 CC(Nc1ccc(cc1)Cl)c2ccccc2 2230a_100000210052_100000230085 [0,2,0,0,0,0|2,0,0]=4 11901 B17R2.209 CC(Nc1ccc(cc1)Cl)c2ccccc2 34a_100000210052_100000211855 [0,2,0,0,0,0|2,0,0]=4 11902 B17R2.209 CC(Nc1ccc(cc1)F)c2ccccc2 34a_100000185862_100000211855 [0,2,0,0,0,0|2,0,0]=4 11903 B17R2.209 CC(Nc1ccc(cc1)I)c2ccccc2 34a_100000185761_100000211855 [0,2,0,0,0,0|2,0,0]=4 11904 B17R2.209 CC(Nc1ccc(cc1)O)c2ccccc2 34a_100000185829_100000211855 [0,2,0,0,0,0|2,0,0]=4 11905 B17R2.209 CC(Oc1ccc(cc1)Br)c2ccccc2 34a_100000185759_100000211855 [0,2,0,0,0,0|1,1,0]=4 11906 B17R2.209 CC(Oc1ccc(cc1)Br)c2ccccc2 7a_100000185759_100000230085 [0,2,0,0,0,0|1,1,0]=4 11907 B17R2.209 CC(Oc1ccc(cc1)Cl)c2ccccc2 34a_100000210216_100000211855 [0,2,0,0,0,0|1,1,0]=4 11908 B17R2.209 CC(Oc1ccc(cc1)Cl)c2ccccc2 7a_100000210216_100000230085 [0,2,0,0,0,0|1,1,0]=4 11909 B17R2.209 CC(Oc1ccc(cc1)F)c2ccccc2 34a_100000210339_100000211855 [0,2,0,0,0,0|1,1,0]=4 11910 B17R2.209 CC(Oc1ccc(cc1)I)c2ccccc2 34a_100000212066_100000211855 [0,2,0,0,0,0|1,1,0]=4 11911 B17R2.209 CC(Oc1ccc(cc1)I)c2ccccc2 7a_100000212066_100000230085 [0,2,0,0,0,0|1,1,0]=4 11912 B17R2.209 CC(Oc1ccc(cc1)N)c2ccccc2 34a_100000185829_100000211855 [0,2,0,0,0,0|1,1,0]=4 11913 B17R2.209 CC(Sc1cc[n+](cc1)[O-])c2ccccc2 62a_100000230085_100000039755 [0,2,0,0,0,0|2,0,0]=4 11914 B17R2.209 CC(Sc1ccc(=O)[nH]c1)c2ccccc2 62a_100000212171_100000230085 [0,2,0,0,0,0|2,0,0]=4 11915 B17R2.209 CC(Sc1ccc(=O)[nH]c1)c2ccccc2 62a_100000230085_100000212171 [0,2,0,0,0,0|2,0,0]=4 11916 B17R2.209 CC(Sc1ccc(cc1)Br)c2ccccc2 62a_100000230085_100000752885 [0,2,0,0,0,0|1,0,0]=3 11917 B17R2.209 CC(Sc1ccc(cc1)Br)c2ccccc2 62a_100000752885_100000230085 [0,2,0,0,0,0|1,0,0]=3 11918 B17R2.209 CC(Sc1ccc(cc1)Cl)c2ccccc2 62a_100000230085_100000755918 [0,2,0,0,0,0|1,0,0]=3 11919 B17R2.209 CC(Sc1ccc(cc1)Cl)c2ccccc2 62a_100000755918_100000230085 [0,2,0,0,0,0|1,0,0]=3 11920 B17R2.209 CC(Sc1ccc(cc1)F)c2ccccc2 62a_100000211213_100000230085 [0,2,0,0,0,0|1,0,0]=3 11921 B17R2.209 CC(Sc1ccc(cc1)F)c2ccccc2 62a_100000230085_100000211213 [0,2,0,0,0,0|1,0,0]=3 11922 B17R2.209 CC(Sc1ccc(cc1)N)c2ccccc2 62a_100000185761_100000230085 [0,2,0,0,0,0|1,0,0]=3 11923 B17R2.209 CC(Sc1ccc(cc1)N)c2ccccc2 62a_100000230085_100000185761 [0,2,0,0,0,0|1,0,0]=3 11924 B17R2.209 CC(Sc1ccc(cc1)O)c2ccccc2 62a_100000230085_100000185759 [0,2,0,0,0,0|1,0,0]=3 11925 B17R2.209 CC(Sc1ccc(cn1)Br)c2ccccc2 62a_100000230085_100000686858 [0,2,0,0,0,0|2,0,0]=4 11926 B17R2.209 CC(Sc1ccc(cn1)Br)c2ccccc2 62a_100000686858_100000230085 [0,2,0,0,0,0|2,0,0]=4 11927 B17R2.209 CC(Sc1ccc(cn1)Cl)c2ccccc2 62a_100000230085_100011356976 [0,2,0,0,0,0|2,0,0]=4 11928 B17R2.209 CC(Sc1ccc(cn1)Cl)c2ccccc2 62a_100011356976_100000230085 [0,2,0,0,0,0|2,0,0]=4 11929 B17R2.209 CC(Sc1ccc(cn1)F)c2ccccc2 62a_100000230085_100000744514 [0,2,0,0,0,0|2,0,0]=4 11930 B17R2.209 CC(Sc1ccc(cn1)F)c2ccccc2 62a_100000744514_100000230085 [0,2,0,0,0,0|2,0,0]=4 11931 B17R2.209 CC(Sc1ccc(cn1)N)c2ccccc2 62a_100000230085_100000737798 [0,2,0,0,0,0|2,0,0]=4 11932 B17R2.209 CC(Sc1ccc(cn1)N)c2ccccc2 62a_100000737798_100000230085 [0,2,0,0,0,0|2,0,0]=4 11933 B17R2.209 CC(Sc1ccc(cn1)O)c2ccccc2 62a_100000230085_100000744096 [0,2,0,0,0,0|2,0,0]=4 11934 B17R2.209 CC(Sc1ccc(cn1)O)c2ccccc2 62a_100000685995_100000230085 [0,2,0,0,0,0|2,0,0]=4 11935 B17R2.209 CC(Sc1ccc(nc1)Br)c2ccccc2 62a_100000230085_100009814638 [0,2,0,0,0,0|2,0,0]=4 11936 B17R2.209 CC(Sc1ccc(nc1)Br)c2ccccc2 62a_100009814638_100000230085 [0,2,0,0,0,0|2,0,0]=4 11937 B17R2.209 CC(Sc1ccc(nc1)Cl)c2ccccc2 62a_100000034144_100000230085 [0,2,0,0,0,0|2,0,0]=4 11938 B17R2.209 CC(Sc1ccc(nc1)Cl)c2ccccc2 62a_100000230085_100000034144 [0,2,0,0,0,0|2,0,0]=4 11939 B17R2.209 CC(Sc1ccc(nc1)F)c2ccccc2 62a_100000042367_100000230085 [0,2,0,0,0,0|2,0,0]=4 11940 B17R2.209 CC(Sc1ccc(nc1)F)c2ccccc2 62a_100000230085_100000042367 [0,2,0,0,0,0|2,0,0]=4 11941 B17R2.209 CC(Sc1ccc(nc1)N)c2ccccc2 62a_100000187370_100000230085 [0,2,0,0,0,0|2,0,0]=4 11942 B17R2.209 CC(Sc1ccc(nc1)N)c2ccccc2 62a_100000230085_100000187370 [0,2,0,0,0,0|2,0,0]=4 11943 B17R2.209 CN(Cc1ccc(cc1)Br)c2ccccc2 2230a_100000210012_100011217064 [0,2,0,0,0,0|2,0,0]=4 11944 B17R2.209 CN(Cc1ccc(cc1)Br)c2ccccc2 269982a_100000210012_100011217064 [0,2,0,0,0,0|2,0,0]=4 11945 B17R2.209 CN(Cc1ccc(cc1)Br)c2ccccc2 34a_100000210012_100000189115 [0,2,0,0,0,0|2,0,0]=4 11946 B17R2.209 CN(Cc1ccc(cc1)Cl)c2ccccc2 2230a_100000210012_100000694040 [0,2,0,0,0,0|2,0,0]=4 11947 B17R2.209 CN(Cc1ccc(cc1)Cl)c2ccccc2 269982a_100000210012_100000187161 [0,2,0,0,0,0|2,0,0]=4 11948 B17R2.209 CN(Cc1ccc(cc1)Cl)c2ccccc2 34a_100000210012_100000694040 [0,2,0,0,0,0|2,0,0]=4 11949 B17R2.209 CN(Cc1ccc(cc1)F)c2ccccc2 2230a_100000210012_100000198546 [0,2,0,0,0,0|2,0,0]=4 11950 B17R2.209 CN(Cc1ccc(cc1)F)c2ccccc2 269982a_100000210012_100000198546 [0,2,0,0,0,0|2,0,0]=4 11951 B17R2.209 CN(Cc1ccc(cc1)F)c2ccccc2 34a_100000210012_100000198546 [0,2,0,0,0,0|2,0,0]=4 11952 B17R2.209 CN(Cc1ccc(cc1)I)c2ccccc2 2230a_100000210012_100000189116 [0,2,0,0,0,0|2,0,0]=4 11953 B17R2.209 CN(Cc1ccc(cc1)I)c2ccccc2 269982a_100000210012_100000189116 [0,2,0,0,0,0|2,0,0]=4 11954 B17R2.209 CN(Cc1ccc(cc1)I)c2ccccc2 34a_100000210012_100000189116 [0,2,0,0,0,0|2,0,0]=4 11955 B17R2.209 Cc1ccc(cc1)CC(=O)c2ccccc2 1458a_100000185807_100000210814 [0,2,0,0,0,0|2,0,0]=4 11956 B17R2.209 Cc1ccc(cc1)CC(C)c2ccccc2 271570a_100000062452_100000186775 [0,2,0,0,0,0|2,0,0]=4 11957 B17R2.209 Cc1ccc(cc1)CN(C)c2ccccc2 2230a_100000210012_100000210814 [0,2,0,0,0,0|2,0,0]=4 11958 B17R2.209 Cc1ccc(cc1)CN(C)c2ccccc2 269982a_100000210012_100000210814 [0,2,0,0,0,0|2,0,0]=4 11959 B17R2.209 Cc1ccc(cc1)CN(C)c2ccccc2 34a_100000210012_100000210814 [0,2,0,0,0,0|2,0,0]=4 11960 B17R2.209 Cc1ccc(cc1)NC(=O)c2ccccc2 11a_100000124888_100000185807 [0,2,0,0,0,0|2,0,0]=4 11961 B17R2.209 Cc1ccc(cc1)NC(=O)c2ccccc2 1626a_100000124888_100000185807 [0,2,0,0,0,0|2,0,0]=4 11962 B17R2.209 Cc1ccc(cc1)NC(=O)c2ccccc2 22a_100000124888_100000185807 [0,2,0,0,0,0|2,0,0]=4 11963 B17R2.209 Cc1ccc(cc1)NC(=O)c2ccccc2 527a_100000124888_100000185807 [0,2,0,0,0,0|2,0,0]=4 11964 B17R2.209 Cc1ccc(cc1)NC(C)c2ccccc2 34a_100000124888_100000211855 [0,2,0,0,0,0|2,0,0]=4 11965 B17R2.209 Cc1ccc(cc1)OC(C)c2ccccc2 34a_100000210336_100000211855 [0,2,0,0,0,0|1,1,0]=4 11966 B17R2.209 Cc1ccc(cc1)OC(C)c2ccccc2 7a_100000210336_100000230085 [0,2,0,0,0,0|1,1,0]=4 11967 B17R2.209 Cc1ccc(cc1)SC(C)c2ccccc2 62a_100000186775_100000230085 [0,2,0,0,0,0|1,0,0]=3 11968 B17R2.209 Cc1ccc(cc1)SC(C)c2ccccc2 62a_100000230085_100000186775 [0,2,0,0,0,0|1,0,0]=3 11969 B17R2.209 Cc1ccc(cn1)SC(C)c2ccccc2 62a_100000230085_100000751577 [0,2,0,0,0,0|2,0,0]=4 11970 B17R2.209 Cc1ccc(cn1)SC(C)c2ccccc2 62a_100000751577_100000230085 [0,2,0,0,0,0|2,0,0]=4 11971 B17R2.209 Cc1ccc(nc1)SC(C)c2ccccc2 62a_100000230085_100000754016 [0,2,0,0,0,0|2,0,0]=4 11972 B17R2.209 Cc1ccc(nc1)SC(C)c2ccccc2 62a_100011192072_100000230085 [0,2,0,0,0,0|2,0,0]=4 11973 B17R2.209 O=C(Cc1ccc(cc1)Br)c2ccccc2 1458a_100000185807_100000189115 [0,2,0,0,0,0|2,0,0]=4 11974 B17R2.209 O=C(Cc1ccc(cc1)Cl)c2ccccc2 1458a_100000185807_100000694040 [0,2,0,0,0,0|2,0,0]=4 11975 B17R2.209 O=C(Cc1ccc(cc1)F)c2ccccc2 1458a_100000185807_100000198546 [0,2,0,0,0,0|2,0,0]=4 11976 B17R2.209 O=C(Cc1ccc(cc1)I)c2ccccc2 1458a_100000185807_100000189116 [0,2,0,0,0,0|2,0,0]=4 11977 B17R2.209 O=C(Cc1ccc(cc1)O)c2ccccc2 271570a_203496583355_100011267665 [0,2,0,0,0,0|2,0,0]=4 11978 B17R2.209 O=C(Nc1ccc(cc1)Br)c2ccccc2 11a_100000210018_100000185807 [0,2,0,0,0,0|2,0,0]=4 11979 B17R2.209 O=C(Nc1ccc(cc1)Br)c2ccccc2 1626a_100000210018_100000185807 [0,2,0,0,0,0|2,0,0]=4 11980 B17R2.209 O=C(Nc1ccc(cc1)Br)c2ccccc2 22a_100000210018_100000185807 [0,2,0,0,0,0|2,0,0]=4 11981 B17R2.209 O=C(Nc1ccc(cc1)Br)c2ccccc2 527a_100000210018_100000185807 [0,2,0,0,0,0|2,0,0]=4 11982 B17R2.209 O=C(Nc1ccc(cc1)Cl)c2ccccc2 11a_100000210052_100000185807 [0,2,0,0,0,0|2,0,0]=4 11983 B17R2.209 O=C(Nc1ccc(cc1)Cl)c2ccccc2 1626a_100000210052_100000185807 [0,2,0,0,0,0|2,0,0]=4 11984 B17R2.209 O=C(Nc1ccc(cc1)Cl)c2ccccc2 22a_100000210052_100000185807 [0,2,0,0,0,0|2,0,0]=4 11985 B17R2.209 O=C(Nc1ccc(cc1)Cl)c2ccccc2 527a_100000210052_100000185807 [0,2,0,0,0,0|2,0,0]=4 11986 B17R2.209 O=C(Nc1ccc(cc1)F)c2ccccc2 11a_100000185862_100000185807 [0,2,0,0,0,0|2,0,0]=4 11987 B17R2.209 O=C(Nc1ccc(cc1)F)c2ccccc2 1626a_100000185862_100000185807 [0,2,0,0,0,0|2,0,0]=4 11988 B17R2.209 O=C(Nc1ccc(cc1)F)c2ccccc2 22a_100000185862_100000185807 [0,2,0,0,0,0|2,0,0]=4 11989 B17R2.209 O=C(Nc1ccc(cc1)F)c2ccccc2 527a_100000185862_100000185807 [0,2,0,0,0,0|2,0,0]=4 11990 B17R2.209 O=C(Nc1ccc(cc1)I)c2ccccc2 11a_100000185761_100000185807 [0,2,0,0,0,0|2,0,0]=4 11991 B17R2.209 O=C(Nc1ccc(cc1)I)c2ccccc2 1626a_100000185761_100000185807 [0,2,0,0,0,0|2,0,0]=4 11992 B17R2.209 O=C(Nc1ccc(cc1)I)c2ccccc2 22a_100000185761_100000185807 [0,2,0,0,0,0|2,0,0]=4 11993 B17R2.209 O=C(Nc1ccc(cc1)I)c2ccccc2 527a_100000185761_100000185807 [0,2,0,0,0,0|2,0,0]=4 11994 B17R2.209 O=C(Nc1ccc(cc1)O)c2ccccc2 22a_100000185829_100000185807 [0,2,0,0,0,0|2,0,0]=4 11995 B17R2.209 O=C(Nc1ccc(cc1)O)c2ccccc2 271570a_203496583355_100000155230 [0,2,0,0,0,0|2,0,0]=4 11996 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Br 2230a_100000219648_100015291786 [0,2,0,0,0,0|2,0,0]=4 11997 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Br 2230a_100000224063_200000210301 [0,2,0,0,0,0|2,0,0]=4 11998 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Br 269982a_100000219648_100000211182 [0,2,0,0,0,0|2,0,0]=4 11999 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Br 269982a_100000224063_200000210301 [0,2,0,0,0,0|2,0,0]=4 12000 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Br 34a_100000219648_100015291786 [0,2,0,0,0,0|2,0,0]=4 12001 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Br 34a_100000224063_200000210301 [0,2,0,0,0,0|2,0,0]=4 12002 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Cl 2230a_100000220044_100015291786 [0,2,0,0,0,0|2,0,0]=4 12003 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Cl 2230a_100102953027_200000210301 [0,2,0,0,0,0|2,0,0]=4 12004 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Cl 269982a_100000220044_100000211182 [0,2,0,0,0,0|2,0,0]=4 12005 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Cl 269982a_100102953027_200000210301 [0,2,0,0,0,0|2,0,0]=4 12006 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Cl 34a_100000220044_100015291786 [0,2,0,0,0,0|2,0,0]=4 12007 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)Cl 34a_100102953027_200000210301 [0,2,0,0,0,0|2,0,0]=4 12008 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)F 2230a_100020633736_100015291786 [0,2,0,0,0,0|2,0,0]=4 12009 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)F 2230a_100102952868_200000210301 [0,2,0,0,0,0|2,0,0]=4 12010 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)F 269982a_100020633736_100000211182 [0,2,0,0,0,0|2,0,0]=4 12011 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)F 269982a_100102952868_200000210301 [0,2,0,0,0,0|2,0,0]=4 12012 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)F 34a_100020633736_100015291786 [0,2,0,0,0,0|2,0,0]=4 12013 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)F 34a_100102952868_200000210301 [0,2,0,0,0,0|2,0,0]=4 12014 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)I 2230a_100000221217_100015291786 [0,2,0,0,0,0|2,0,0]=4 12015 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)I 269982a_100000221217_100000211182 [0,2,0,0,0,0|2,0,0]=4 12016 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)I 34a_100000221217_100015291786 [0,2,0,0,0,0|2,0,0]=4 12017 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)O 2230a_100000756613_100015291786 [0,2,0,0,0,0|2,0,0]=4 12018 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)O 269982a_100000756613_100000211182 [0,2,0,0,0,0|2,0,0]=4 12019 B17R2.5273 CN(Cc1ccccc1)c2cccc(c2)O 34a_100000756613_100015291786 [0,2,0,0,0,0|2,0,0]=4 12020 B17R2.5273 Cc1cccc(c1)C(=O)Cc2ccccc2 1458a_100000189346_100015291786 [0,2,0,0,0,0|2,0,0]=4 12021 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 11a_100000106764_100000189346 [0,2,0,0,0,0|2,0,0]=4 12022 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 1626a_100000106764_100000189346 [0,2,0,0,0,0|2,0,0]=4 12023 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 22a_100000106764_100000189346 [0,2,0,0,0,0|2,0,0]=4 12024 B17R2.5273 Cc1cccc(c1)C(=O)Nc2ccccc2 527a_100000106764_100000189346 [0,2,0,0,0,0|2,0,0]=4 12025 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccc2 2230a_100000185206_200000210301 [0,2,0,0,0,0|2,0,0]=4 12026 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccc2 2230a_100000219674_100015291786 [0,2,0,0,0,0|2,0,0]=4 12027 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccc2 269982a_100000185206_200000210301 [0,2,0,0,0,0|2,0,0]=4 12028 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccc2 269982a_100000219674_100000211182 [0,2,0,0,0,0|2,0,0]=4 12029 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccc2 34a_100000185206_200000210301 [0,2,0,0,0,0|2,0,0]=4 12030 B17R2.5273 Cc1cccc(c1)N(C)Cc2ccccc2 34a_100000219674_100015291786 [0,2,0,0,0,0|2,0,0]=4 12031 B17R2.5273 Cc1cccc(c1)N([13CH3])Cc2ccccc2 2230a_100000185206_200025704644 [0,2,0,0,0,0|2,0,0]=4 12032 B17R2.5273 Cc1cccc(c1)N([13CH3])Cc2ccccc2 269982a_100000185206_200025704644 [0,2,0,0,0,0|2,0,0]=4 12033 B17R2.5273 Cc1cccc(c1)N([13CH3])Cc2ccccc2 34a_100000185206_200025704644 [0,2,0,0,0,0|2,0,0]=4 12034 B17R2.5273 O=C(Cc1ccccc1)c2cccc(c2)Br 1458a_100000210664_100015291786 [0,2,0,0,0,0|2,0,0]=4 12035 B17R2.5273 O=C(Cc1ccccc1)c2cccc(c2)Cl 1458a_100000210390_100015291786 [0,2,0,0,0,0|2,0,0]=4 12036 B17R2.5273 O=C(Cc1ccccc1)c2cccc(c2)F 1458a_100000210950_100015291786 [0,2,0,0,0,0|2,0,0]=4 12037 B17R2.5273 O=C(Cc1ccccc1)c2cccc(c2)I 1458a_100000184098_100015291786 [0,2,0,0,0,0|2,0,0]=4 12038 B17R2.5273 O=C(Cc1ccccc1)c2cccc(c2)O 1458a_100000183914_100015291786 [0,2,0,0,0,0|2,0,0]=4 12039 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Br 11a_100000106764_100000210664 [0,2,0,0,0,0|2,0,0]=4 12040 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Br 1626a_100000106764_100000210664 [0,2,0,0,0,0|2,0,0]=4 12041 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Br 22a_100000106764_100000210664 [0,2,0,0,0,0|2,0,0]=4 12042 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Br 527a_100000106764_100000210664 [0,2,0,0,0,0|2,0,0]=4 12043 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Cl 11a_100000106764_100000210390 [0,2,0,0,0,0|2,0,0]=4 12044 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Cl 1626a_100000106764_100000210390 [0,2,0,0,0,0|2,0,0]=4 12045 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Cl 22a_100000106764_100000210390 [0,2,0,0,0,0|2,0,0]=4 12046 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)Cl 527a_100000106764_100000210390 [0,2,0,0,0,0|2,0,0]=4 12047 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)F 11a_100000106764_100000210950 [0,2,0,0,0,0|2,0,0]=4 12048 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)F 1626a_100000106764_100000210950 [0,2,0,0,0,0|2,0,0]=4 12049 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)F 22a_100000106764_100000210950 [0,2,0,0,0,0|2,0,0]=4 12050 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)F 527a_100000106764_100000210950 [0,2,0,0,0,0|2,0,0]=4 12051 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)I 11a_100000106764_100000184098 [0,2,0,0,0,0|2,0,0]=4 12052 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)I 1626a_100000106764_100000184098 [0,2,0,0,0,0|2,0,0]=4 12053 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)I 22a_100000106764_100000184098 [0,2,0,0,0,0|2,0,0]=4 12054 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)I 527a_100000106764_100000184098 [0,2,0,0,0,0|2,0,0]=4 12055 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)O 22a_100000106764_100000183914 [0,2,0,0,0,0|2,0,0]=4 12056 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)O 271570a_203496583355_200000153492 [0,2,0,0,0,0|2,0,0]=4 12057 B17R2.5273 O=C(Nc1ccccc1)c2cccc(c2)O 527a_100000106764_100000183914 [0,2,0,0,0,0|2,0,0]=4 12058 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)Br 2230a_100000224063_200025704644 [0,2,0,0,0,0|2,0,0]=4 12059 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)Br 269982a_100000224063_200025704644 [0,2,0,0,0,0|2,0,0]=4 12060 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)Br 34a_100000224063_200025704644 [0,2,0,0,0,0|2,0,0]=4 12061 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)Cl 2230a_100102953027_200025704644 [0,2,0,0,0,0|2,0,0]=4 12062 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)Cl 269982a_100102953027_200025704644 [0,2,0,0,0,0|2,0,0]=4 12063 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)Cl 34a_100102953027_200025704644 [0,2,0,0,0,0|2,0,0]=4 12064 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)F 2230a_100102952868_200025704644 [0,2,0,0,0,0|2,0,0]=4 12065 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)F 269982a_100102952868_200025704644 [0,2,0,0,0,0|2,0,0]=4 12066 B17R2.5273 [13CH3]N(Cc1ccccc1)c2cccc(c2)F 34a_100102952868_200025704644 [0,2,0,0,0,0|2,0,0]=4 12067 B17R2.5293 CC(Cc1cccc(c1)Br)c2ccccc2 271570a_100000062452_100000691529 [0,2,0,0,0,0|2,0,0]=4 12068 B17R2.5293 CC(Cc1cccc(c1)Cl)c2ccccc2 271570a_100000062452_100000699651 [0,2,0,0,0,0|2,0,0]=4 12069 B17R2.5293 CC(Cc1cccc(c1)F)c2ccccc2 271570a_100000062452_100000685547 [0,2,0,0,0,0|2,0,0]=4 12070 B17R2.5293 CC(Cc1cccc(c1)N)c2ccccc2 271570a_100000062452_100000210019 [0,2,0,0,0,0|2,0,0]=4 12071 B17R2.5293 CC(Cc1cccc(c1)O)c2ccccc2 271570a_100000062452_100000211634 [0,2,0,0,0,0|2,0,0]=4 12072 B17R2.5293 CC(Cc1cccc(c1)[S])c2ccccc2 271570a_100000062452_114929384022 [0,2,0,0,0,0|2,0,0]=4 12073 B17R2.5293 CC(Nc1cccc(c1)Br)c2ccccc2 34a_100000210019_100000211855 [0,2,0,0,0,0|2,0,0]=4 12074 B17R2.5293 CC(Nc1cccc(c1)Cl)c2ccccc2 34a_100000185859_100000211855 [0,2,0,0,0,0|2,0,0]=4 12075 B17R2.5293 CC(Nc1cccc(c1)F)c2ccccc2 34a_100000210047_100000211855 [0,2,0,0,0,0|2,0,0]=4 12076 B17R2.5293 CC(Nc1cccc(c1)I)c2ccccc2 34a_100000211102_100000211855 [0,2,0,0,0,0|2,0,0]=4 12077 B17R2.5293 CC(Nc1cccc(c1)O)c2ccccc2 34a_100000210217_100000211855 [0,2,0,0,0,0|2,0,0]=4 12078 B17R2.5293 CC(Oc1cccc(c1)Br)c2ccccc2 34a_100000210342_100000211855 [0,2,0,0,0,0|1,1,0]=4 12079 B17R2.5293 CC(Oc1cccc(c1)Br)c2ccccc2 7a_100000210342_100000230085 [0,2,0,0,0,0|1,1,0]=4 12080 B17R2.5293 CC(Oc1cccc(c1)Cl)c2ccccc2 34a_100000210295_100000211855 [0,2,0,0,0,0|1,1,0]=4 12081 B17R2.5293 CC(Oc1cccc(c1)Cl)c2ccccc2 7a_100000210295_100000230085 [0,2,0,0,0,0|1,1,0]=4 12082 B17R2.5293 CC(Oc1cccc(c1)F)c2ccccc2 34a_100000210426_100000211855 [0,2,0,0,0,0|1,1,0]=4 12083 B17R2.5293 CC(Oc1cccc(c1)F)c2ccccc2 7a_100000210426_100000230085 [0,2,0,0,0,0|1,1,0]=4 12084 B17R2.5293 CC(Oc1cccc(c1)I)c2ccccc2 34a_100000211634_100000211855 [0,2,0,0,0,0|1,1,0]=4 12085 B17R2.5293 CC(Oc1cccc(c1)I)c2ccccc2 7a_100000211634_100000230085 [0,2,0,0,0,0|1,1,0]=4 12086 B17R2.5293 CC(Oc1cccc(c1)N)c2ccccc2 34a_100000210217_100000211855 [0,2,0,0,0,0|1,1,0]=4 12087 B17R2.5293 CC(Sc1cc(=O)cc[nH]1)c2ccccc2 62a_100009817434_100000230085 [0,2,0,0,0,0|2,0,0]=4 12088 B17R2.5293 CC(Sc1cc(ccn1)Cl)c2ccccc2 62a_100000230085_100010167805 [0,2,0,0,0,0|2,0,0]=4 12089 B17R2.5293 CC(Sc1cc(ccn1)Cl)c2ccccc2 62a_100010167805_100000230085 [0,2,0,0,0,0|2,0,0]=4 12090 B17R2.5293 CC(Sc1cc(ccn1)F)c2ccccc2 62a_100000230085_100000764206 [0,2,0,0,0,0|2,0,0]=4 12091 B17R2.5293 CC(Sc1cc(ccn1)F)c2ccccc2 62a_100000764206_100000230085 [0,2,0,0,0,0|2,0,0]=4 12092 B17R2.5293 CC(Sc1cc(ccn1)N)c2ccccc2 62a_100000230085_100009814236 [0,2,0,0,0,0|2,0,0]=4 12093 B17R2.5293 CC(Sc1cc(ccn1)N)c2ccccc2 62a_100009814236_100000230085 [0,2,0,0,0,0|2,0,0]=4 12094 B17R2.5293 CC(Sc1cc(ccn1)O)c2ccccc2 62a_100000230085_100000762945 [0,2,0,0,0,0|2,0,0]=4 12095 B17R2.5293 CC(Sc1cc[nH]c(=O)c1)c2ccccc2 62a_100000230085_100009816521 [0,2,0,0,0,0|2,0,0]=4 12096 B17R2.5293 CC(Sc1cc[nH]c(=O)c1)c2ccccc2 62a_100009816521_100000230085 [0,2,0,0,0,0|2,0,0]=4 12097 B17R2.5293 CC(Sc1ccc[n+](c1)C)c2ccccc2 62a_100000230085_100009996589 [0,2,0,0,0,0|2,0,0]=4 12098 B17R2.5293 CC(Sc1ccc[n+](c1)C)c2ccccc2 62a_100009996589_100000230085 [0,2,0,0,0,0|2,0,0]=4 12099 B17R2.5293 CC(Sc1ccc[n+](c1)[O-])c2ccccc2 62a_100000230085_100009815978 [0,2,0,0,0,0|2,0,0]=4 12100 B17R2.5293 CC(Sc1cccc(=O)[nH]1)c2ccccc2 62a_100000230085_100000752884 [0,2,0,0,0,0|2,0,0]=4 12101 B17R2.5293 CC(Sc1cccc(c1)Br)c2ccccc2 62a_100000230085_100000691529 [0,2,0,0,0,0|1,0,0]=3 12102 B17R2.5293 CC(Sc1cccc(c1)Br)c2ccccc2 62a_100000691529_100000230085 [0,2,0,0,0,0|1,0,0]=3 12103 B17R2.5293 CC(Sc1cccc(c1)Cl)c2ccccc2 62a_100000230085_100000699651 [0,2,0,0,0,0|1,0,0]=3 12104 B17R2.5293 CC(Sc1cccc(c1)Cl)c2ccccc2 62a_100000699651_100000230085 [0,2,0,0,0,0|1,0,0]=3 12105 B17R2.5293 CC(Sc1cccc(c1)F)c2ccccc2 62a_100000230085_100000685547 [0,2,0,0,0,0|1,0,0]=3 12106 B17R2.5293 CC(Sc1cccc(c1)F)c2ccccc2 62a_100000685547_100000230085 [0,2,0,0,0,0|1,0,0]=3 12107 B17R2.5293 CC(Sc1cccc(c1)N)c2ccccc2 62a_100000210019_100000230085 [0,2,0,0,0,0|1,0,0]=3 12108 B17R2.5293 CC(Sc1cccc(c1)N)c2ccccc2 62a_100000230085_100000210019 [0,2,0,0,0,0|1,0,0]=3 12109 B17R2.5293 CC(Sc1cccc(c1)O)c2ccccc2 62a_100000230085_100000211634 [0,2,0,0,0,0|1,0,0]=3 12110 B17R2.5293 CC(Sc1cccc(c1)[S])c2ccccc2 62a_100000230085_114929384022 [0,2,0,0,0,0|1,0,0]=3 12111 B17R2.5293 CC(Sc1cccc(c1)[S])c2ccccc2 62a_114929384022_100000230085 [0,2,0,0,0,0|1,0,0]=3 12112 B17R2.5293 CC(Sc1cccc(n1)Br)c2ccccc2 62a_100000230085_100000684672 [0,2,0,0,0,0|2,0,0]=4 12113 B17R2.5293 CC(Sc1cccc(n1)Br)c2ccccc2 62a_100000684672_100000230085 [0,2,0,0,0,0|2,0,0]=4 12114 B17R2.5293 CC(Sc1cccc(n1)Cl)c2ccccc2 62a_100000051397_100000230085 [0,2,0,0,0,0|2,0,0]=4 12115 B17R2.5293 CC(Sc1cccc(n1)Cl)c2ccccc2 62a_100000230085_100000051397 [0,2,0,0,0,0|2,0,0]=4 12116 B17R2.5293 CC(Sc1cccc(n1)F)c2ccccc2 62a_100000230085_100009815982 [0,2,0,0,0,0|2,0,0]=4 12117 B17R2.5293 CC(Sc1cccc(n1)F)c2ccccc2 62a_100009815982_100000230085 [0,2,0,0,0,0|2,0,0]=4 12118 B17R2.5293 CC(Sc1cccc(n1)N)c2ccccc2 62a_100000230085_100000740741 [0,2,0,0,0,0|2,0,0]=4 12119 B17R2.5293 CC(Sc1cccc(n1)N)c2ccccc2 62a_100000740741_100000230085 [0,2,0,0,0,0|2,0,0]=4 12120 B17R2.5293 CC(Sc1ccnc(c1)Br)c2ccccc2 62a_100000230085_100009814637 [0,2,0,0,0,0|2,0,0]=4 12121 B17R2.5293 CC(Sc1ccnc(c1)Br)c2ccccc2 62a_100009814637_100000230085 [0,2,0,0,0,0|2,0,0]=4 12122 B17R2.5293 CC(Sc1ccnc(c1)Cl)c2ccccc2 62a_100000035001_100000230085 [0,2,0,0,0,0|2,0,0]=4 12123 B17R2.5293 CC(Sc1ccnc(c1)Cl)c2ccccc2 62a_100000230085_100000035001 [0,2,0,0,0,0|2,0,0]=4 12124 B17R2.5293 CC(Sc1ccnc(c1)F)c2ccccc2 62a_100000230085_100009816116 [0,2,0,0,0,0|2,0,0]=4 12125 B17R2.5293 CC(Sc1ccnc(c1)F)c2ccccc2 62a_100009816116_100000230085 [0,2,0,0,0,0|2,0,0]=4 12126 B17R2.5293 CC(Sc1ccnc(c1)N)c2ccccc2 62a_100000049665_100000230085 [0,2,0,0,0,0|2,0,0]=4 12127 B17R2.5293 CC(Sc1ccnc(c1)N)c2ccccc2 62a_100000230085_100000049665 [0,2,0,0,0,0|2,0,0]=4 12128 B17R2.5293 CC(Sc1cncc(c1)Br)c2ccccc2 62a_100000230085_100000728054 [0,2,0,0,0,0|2,0,0]=4 12129 B17R2.5293 CC(Sc1cncc(c1)Br)c2ccccc2 62a_100000728054_100000230085 [0,2,0,0,0,0|2,0,0]=4 12130 B17R2.5293 CC(Sc1cncc(c1)Cl)c2ccccc2 62a_100000049639_100000230085 [0,2,0,0,0,0|2,0,0]=4 12131 B17R2.5293 CC(Sc1cncc(c1)Cl)c2ccccc2 62a_100000230085_100000049639 [0,2,0,0,0,0|2,0,0]=4 12132 B17R2.5293 CC(Sc1cncc(c1)F)c2ccccc2 62a_100000230085_100000744099 [0,2,0,0,0,0|2,0,0]=4 12133 B17R2.5293 CC(Sc1cncc(c1)F)c2ccccc2 62a_100000744099_100000230085 [0,2,0,0,0,0|2,0,0]=4 12134 B17R2.5293 CC(Sc1cncc(c1)N)c2ccccc2 62a_100000230085_100000687067 [0,2,0,0,0,0|2,0,0]=4 12135 B17R2.5293 CC(Sc1cncc(c1)N)c2ccccc2 62a_100000687067_100000230085 [0,2,0,0,0,0|2,0,0]=4 12136 B17R2.5293 CC(Sc1cncc(c1)O)c2ccccc2 62a_100000230085_100000754920 [0,2,0,0,0,0|2,0,0]=4 12137 B17R2.5293 CC(Sc1cncc(c1)O)c2ccccc2 62a_100000754920_100000230085 [0,2,0,0,0,0|2,0,0]=4 12138 B17R2.5293 CN(Cc1cccc(c1)Br)c2ccccc2 2230a_100000210012_100000698116 [0,2,0,0,0,0|2,0,0]=4 12139 B17R2.5293 CN(Cc1cccc(c1)Br)c2ccccc2 269982a_100000210012_100000211773 [0,2,0,0,0,0|2,0,0]=4 12140 B17R2.5293 CN(Cc1cccc(c1)Br)c2ccccc2 34a_100000210012_100000698116 [0,2,0,0,0,0|2,0,0]=4 12141 B17R2.5293 CN(Cc1cccc(c1)Cl)c2ccccc2 2230a_100000210012_100000181238 [0,2,0,0,0,0|2,0,0]=4 12142 B17R2.5293 CN(Cc1cccc(c1)Cl)c2ccccc2 269982a_100000210012_100000181238 [0,2,0,0,0,0|2,0,0]=4 12143 B17R2.5293 CN(Cc1cccc(c1)Cl)c2ccccc2 34a_100000210012_100000187163 [0,2,0,0,0,0|2,0,0]=4 12144 B17R2.5293 CN(Cc1cccc(c1)F)c2ccccc2 2230a_100000210012_100000230114 [0,2,0,0,0,0|2,0,0]=4 12145 B17R2.5293 CN(Cc1cccc(c1)F)c2ccccc2 269982a_100000210012_100000230114 [0,2,0,0,0,0|2,0,0]=4 12146 B17R2.5293 CN(Cc1cccc(c1)F)c2ccccc2 34a_100000210012_100000187166 [0,2,0,0,0,0|2,0,0]=4 12147 B17R2.5293 CN(Cc1cccc(c1)I)c2ccccc2 2230a_100000210012_100011218688 [0,2,0,0,0,0|2,0,0]=4 12148 B17R2.5293 CN(Cc1cccc(c1)I)c2ccccc2 269982a_100000210012_100011218688 [0,2,0,0,0,0|2,0,0]=4 12149 B17R2.5293 CN(Cc1cccc(c1)I)c2ccccc2 34a_100000210012_100011218688 [0,2,0,0,0,0|2,0,0]=4 12150 B17R2.5293 CN(Cc1cccc(c1)O)c2ccccc2 2230a_100000210012_100011660834 [0,2,0,0,0,0|2,0,0]=4 12151 B17R2.5293 CN(Cc1cccc(c1)O)c2ccccc2 269982a_100000210012_100000084143 [0,2,0,0,0,0|2,0,0]=4 12152 B17R2.5293 CN(Cc1cccc(c1)O)c2ccccc2 34a_100000210012_100011660834 [0,2,0,0,0,0|2,0,0]=4 12153 B17R2.5293 Cc1cc(ccn1)SC(C)c2ccccc2 62a_100000230085_100000758586 [0,2,0,0,0,0|2,0,0]=4 12154 B17R2.5293 Cc1cc(ccn1)SC(C)c2ccccc2 62a_100000758586_100000230085 [0,2,0,0,0,0|2,0,0]=4 12155 B17R2.5293 Cc1cccc(c1)CC(=O)c2ccccc2 1458a_100000185807_100000211840 [0,2,0,0,0,0|2,0,0]=4 12156 B17R2.5293 Cc1cccc(c1)CC(C)c2ccccc2 271570a_100000062452_100011215228 [0,2,0,0,0,0|2,0,0]=4 12157 B17R2.5293 Cc1cccc(c1)CN(C)c2ccccc2 2230a_100000210012_100000211840 [0,2,0,0,0,0|2,0,0]=4 12158 B17R2.5293 Cc1cccc(c1)CN(C)c2ccccc2 269982a_100000210012_100000211840 [0,2,0,0,0,0|2,0,0]=4 12159 B17R2.5293 Cc1cccc(c1)CN(C)c2ccccc2 34a_100000210012_100000211840 [0,2,0,0,0,0|2,0,0]=4 12160 B17R2.5293 Cc1cccc(c1)NC(=O)c2ccccc2 11a_100000188690_100000185807 [0,2,0,0,0,0|2,0,0]=4 12161 B17R2.5293 Cc1cccc(c1)NC(=O)c2ccccc2 1626a_100000188690_100000185807 [0,2,0,0,0,0|2,0,0]=4 12162 B17R2.5293 Cc1cccc(c1)NC(=O)c2ccccc2 22a_100000188690_100000185807 [0,2,0,0,0,0|2,0,0]=4 12163 B17R2.5293 Cc1cccc(c1)NC(=O)c2ccccc2 527a_100000188690_100000185807 [0,2,0,0,0,0|2,0,0]=4 12164 B17R2.5293 Cc1cccc(c1)NC(C)c2ccccc2 2230a_100000188690_100000230085 [0,2,0,0,0,0|2,0,0]=4 12165 B17R2.5293 Cc1cccc(c1)NC(C)c2ccccc2 34a_100000188690_100000211855 [0,2,0,0,0,0|2,0,0]=4 12166 B17R2.5293 Cc1cccc(c1)OC(C)c2ccccc2 34a_100000210337_100000211855 [0,2,0,0,0,0|1,1,0]=4 12167 B17R2.5293 Cc1cccc(c1)OC(C)c2ccccc2 7a_100000210337_100000230085 [0,2,0,0,0,0|1,1,0]=4 12168 B17R2.5293 Cc1cccc(c1)SC(C)c2ccccc2 62a_100000230085_100011215228 [0,2,0,0,0,0|1,0,0]=3 12169 B17R2.5293 Cc1cccc(c1)SC(C)c2ccccc2 62a_100011215228_100000230085 [0,2,0,0,0,0|1,0,0]=3 12170 B17R2.5293 Cc1cccc(n1)SC(C)c2ccccc2 62a_100000230085_100000742759 [0,2,0,0,0,0|2,0,0]=4 12171 B17R2.5293 Cc1cccc(n1)SC(C)c2ccccc2 62a_100000742759_100000230085 [0,2,0,0,0,0|2,0,0]=4 12172 B17R2.5293 Cc1ccnc(c1)SC(C)c2ccccc2 62a_100000230085_100000750283 [0,2,0,0,0,0|2,0,0]=4 12173 B17R2.5293 Cc1ccnc(c1)SC(C)c2ccccc2 62a_100000750283_100000230085 [0,2,0,0,0,0|2,0,0]=4 12174 B17R2.5293 Cc1cncc(c1)SC(C)c2ccccc2 62a_100000230085_100000760492 [0,2,0,0,0,0|2,0,0]=4 12175 B17R2.5293 Cc1cncc(c1)SC(C)c2ccccc2 62a_100000760492_100000230085 [0,2,0,0,0,0|2,0,0]=4 12176 B17R2.5293 O=C(Cc1cccc(c1)Br)c2ccccc2 1458a_100000185807_100000211773 [0,2,0,0,0,0|2,0,0]=4 12177 B17R2.5293 O=C(Cc1cccc(c1)Cl)c2ccccc2 1458a_100000185807_100000181238 [0,2,0,0,0,0|2,0,0]=4 12178 B17R2.5293 O=C(Cc1cccc(c1)F)c2ccccc2 1458a_100000185807_100000230114 [0,2,0,0,0,0|2,0,0]=4 12179 B17R2.5293 O=C(Cc1cccc(c1)I)c2ccccc2 1458a_100000185807_100011218688 [0,2,0,0,0,0|2,0,0]=4 12180 B17R2.5293 O=C(Cc1cccc(c1)O)c2ccccc2 1458a_100000185807_100011660834 [0,2,0,0,0,0|2,0,0]=4 12181 B17R2.5293 O=C(Nc1cccc(c1)Br)c2ccccc2 11a_100000210019_100000185807 [0,2,0,0,0,0|2,0,0]=4 12182 B17R2.5293 O=C(Nc1cccc(c1)Br)c2ccccc2 1626a_100000210019_100000185807 [0,2,0,0,0,0|2,0,0]=4 12183 B17R2.5293 O=C(Nc1cccc(c1)Br)c2ccccc2 22a_100000210019_100000185807 [0,2,0,0,0,0|2,0,0]=4 12184 B17R2.5293 O=C(Nc1cccc(c1)Br)c2ccccc2 527a_100000210019_100000185807 [0,2,0,0,0,0|2,0,0]=4 12185 B17R2.5293 O=C(Nc1cccc(c1)Cl)c2ccccc2 11a_100000185859_100000185807 [0,2,0,0,0,0|2,0,0]=4 12186 B17R2.5293 O=C(Nc1cccc(c1)Cl)c2ccccc2 1626a_100000185859_100000185807 [0,2,0,0,0,0|2,0,0]=4 12187 B17R2.5293 O=C(Nc1cccc(c1)Cl)c2ccccc2 22a_100000185859_100000185807 [0,2,0,0,0,0|2,0,0]=4 12188 B17R2.5293 O=C(Nc1cccc(c1)F)c2ccccc2 11a_100000210047_100000185807 [0,2,0,0,0,0|2,0,0]=4 12189 B17R2.5293 O=C(Nc1cccc(c1)F)c2ccccc2 1626a_100000210047_100000185807 [0,2,0,0,0,0|2,0,0]=4 12190 B17R2.5293 O=C(Nc1cccc(c1)F)c2ccccc2 22a_100000210047_100000185807 [0,2,0,0,0,0|2,0,0]=4 12191 B17R2.5293 O=C(Nc1cccc(c1)F)c2ccccc2 527a_100000210047_100000185807 [0,2,0,0,0,0|2,0,0]=4 12192 B17R2.5293 O=C(Nc1cccc(c1)I)c2ccccc2 11a_100000211102_100000185807 [0,2,0,0,0,0|2,0,0]=4 12193 B17R2.5293 O=C(Nc1cccc(c1)I)c2ccccc2 1626a_100000211102_100000185807 [0,2,0,0,0,0|2,0,0]=4 12194 B17R2.5293 O=C(Nc1cccc(c1)I)c2ccccc2 22a_100000211102_100000185807 [0,2,0,0,0,0|2,0,0]=4 12195 B17R2.5293 O=C(Nc1cccc(c1)I)c2ccccc2 527a_100000211102_100000185807 [0,2,0,0,0,0|2,0,0]=4 12196 B17R2.5293 O=C(Nc1cccc(c1)O)c2ccccc2 1626a_100000210217_100000185807 [0,2,0,0,0,0|2,0,0]=4 12197 B17R2.5293 O=C(Nc1cccc(c1)O)c2ccccc2 22a_100000210217_100000185807 [0,2,0,0,0,0|2,0,0]=4 12198 B17R2.5293 O=C(Nc1cccc(c1)O)c2ccccc2 271570a_203496583355_100000153631 [0,2,0,0,0,0|2,0,0]=4 12199 B17R2.5293 O=C(Nc1cccc(c1)O)c2ccccc2 527a_100000210217_100000185807 [0,2,0,0,0,0|2,0,0]=4 12200 B17R2.10205 CC(C(=O)c1ccccc1)c2ccccc2 1458a_100000185807_100000230085 [0,2,0,0,0,0|2,0,0]=4 12201 B17R2.10205 CC(c1ccccc1)N(C)c2ccccc2 2230a_100000210012_100000230085 [0,2,0,0,0,0|2,0,0]=4 12202 B17R2.10205 CC(c1ccccc1)N(C)c2ccccc2 269982a_100000210012_100000230085 [0,2,0,0,0,0|2,0,0]=4 12203 B17R2.10205 CC(c1ccccc1)N(C)c2ccccc2 34a_100000210012_100000211855 [0,2,0,0,0,0|2,0,0]=4 12204 B17R2.10205 CN(C(=O)c1ccccc1)c2ccccc2 11a_100000210012_100000185807 [0,2,0,0,0,0|2,0,0]=4 12205 B17R2.10205 CN(C(=O)c1ccccc1)c2ccccc2 1626a_100000210012_100000185807 [0,2,0,0,0,0|2,0,0]=4 12206 B17R2.10205 CN(C(=O)c1ccccc1)c2ccccc2 22a_100000210012_100000185807 [0,2,0,0,0,0|2,0,0]=4 12207 B17R2.20249 CC(C)(Sc1ccccc1)c2ccccc2 62a_100000034625_100000041952 [0,2,0,0,0,0|1,0,0]=3 12208 B17R2.20249 CC(C)(Sc1ccccc1)c2ccccc2 62a_100000719477_100000034625 [0,2,0,0,0,0|1,0,0]=3 12209 B17R2.20249 CC(C)(Sc1ccccn1)c2ccccc2 62a_100000034625_100011216584 [0,2,0,0,0,0|2,0,0]=4 12210 B17R2.20249 CC(C)(Sc1ccccn1)c2ccccc2 62a_100011216584_100000034625 [0,2,0,0,0,0|2,0,0]=4 12211 B17R2.20249 CC(C)(Sc1cccnc1)c2ccccc2 62a_100000034625_100000210063 [0,2,0,0,0,0|2,0,0]=4 12212 B17R2.20249 CC(C)(Sc1cccnc1)c2ccccc2 62a_100000210063_100000034625 [0,2,0,0,0,0|2,0,0]=4 12213 B17R2.20249 CC(C)(Sc1ccncc1)c2ccccc2 62a_100000034625_100000728582 [0,2,0,0,0,0|2,0,0]=4 12214 B17R2.20249 CC(C)(Sc1ccncc1)c2ccccc2 62a_100000728582_100000034625 [0,2,0,0,0,0|2,0,0]=4 12215 B17R2.20249 FC(F)(Oc1ccccc1)c2ccccc2 7a_100000210340_100000036403 [0,2,0,0,0,0|1,1,0]=4 12216 B17R2.20249 FC(F)(Sc1ccccc1)c2ccccc2 62a_100000719477_100000036403 [0,2,0,0,0,0|1,0,0]=3 12217 B17R2.20249 FC(F)(Sc1ccccn1)c2ccccc2 62a_100011216584_100000036403 [0,2,0,0,0,0|2,0,0]=4 12218 B17R2.20249 FC(F)(Sc1cccnc1)c2ccccc2 62a_100000210063_100000036403 [0,2,0,0,0,0|2,0,0]=4 12219 B17R2.20249 FC(F)(Sc1ccncc1)c2ccccc2 62a_100000728582_100000036403 [0,2,0,0,0,0|2,0,0]=4 12220 B17R2.20249 O=S(=O)(Nc1ccccc1)c2ccccc2 20a_100000106764_100000210345 [0,2,0,0,0,0|1,0,1]=4 12221 B17R2.20249 O=S(=O)(Nc1ccccc1)c2ccccc2 232682a_100000106764_100000210345 [0,2,0,0,0,0|1,0,1]=4 12222 B17R2.48 C#Cc1ccc(cc1)CNc2ccccc2 207a_100000106764_100011361452 [0,2,0,0,0,0|2,0,0]=4 12223 B17R2.48 C#Cc1ccc(cc1)CNc2ccccc2 34a_100000106764_100000140223 [0,2,0,0,0,0|2,0,0]=4 12224 B17R2.48 C#Cc1ccc(cc1)COc2ccccc2 34a_100000210340_100000140223 [0,2,0,0,0,0|1,1,0]=4 12225 B17R2.48 C#Cc1ccc(cc1)COc2ccccc2 7a_100000210340_100000140223 [0,2,0,0,0,0|1,1,0]=4 12226 B17R2.48 C#Cc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000140223 [0,2,0,0,0,0|1,0,0]=3 12227 B17R2.48 C#Cc1ccc(cc1)CSc2ccccn2 62a_100011216584_100000140223 [0,2,0,0,0,0|2,0,0]=4 12228 B17R2.48 C#Cc1ccc(cc1)CSc2cccnc2 62a_100000210063_100000140223 [0,2,0,0,0,0|2,0,0]=4 12229 B17R2.48 C#Cc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000140223 [0,2,0,0,0,0|2,0,0]=4 12230 B17R2.48 C#Cc1ccc(cc1)NCc2ccccc2 34a_100011215031_100015291786 [0,2,0,0,0,0|2,0,0]=4 12231 B17R2.48 C=Cc1ccc(cc1)/C=C/c2ccccc2 271570a_100011290941_100016990502 [0,2,0,0,0,0|2,0,0]=4 12232 B17R2.48 C=Cc1ccc(cc1)/N=N/c2ccccc2 271570a_100011290941_100029724385 [0,2,0,0,0,0|2,0,0]=4 12233 B17R2.48 C=Cc1ccc(cc1)C#Cc2ccccc2 271570a_100011290941_100010000412 [0,2,0,0,0,0|2,0,0]=4 12234 B17R2.48 C=Cc1ccc(cc1)CNc2ccccc2 270302a_100000106764_100011361436 [0,2,0,0,0,0|2,0,0]=4 12235 B17R2.48 C=Cc1ccc(cc1)CNc2ccccc2 34a_100000106764_100000034074 [0,2,0,0,0,0|2,0,0]=4 12236 B17R2.48 C=Cc1ccc(cc1)COc2ccccc2 34a_100000210340_100000034074 [0,2,0,0,0,0|1,1,0]=4 12237 B17R2.48 C=Cc1ccc(cc1)COc2ccccc2 7a_100000210340_100000034074 [0,2,0,0,0,0|1,1,0]=4 12238 B17R2.48 C=Cc1ccc(cc1)CSc2ccccc2 62a_100000034074_100000041952 [0,2,0,0,0,0|1,0,0]=3 12239 B17R2.48 C=Cc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000034074 [0,2,0,0,0,0|1,0,0]=3 12240 B17R2.48 C=Cc1ccc(cc1)CSc2ccccn2 62a_100000034074_100011216584 [0,2,0,0,0,0|2,0,0]=4 12241 B17R2.48 C=Cc1ccc(cc1)CSc2ccccn2 62a_100011216584_100000034074 [0,2,0,0,0,0|2,0,0]=4 12242 B17R2.48 C=Cc1ccc(cc1)CSc2cccnc2 62a_100000034074_100000210063 [0,2,0,0,0,0|2,0,0]=4 12243 B17R2.48 C=Cc1ccc(cc1)CSc2cccnc2 62a_100000210063_100000034074 [0,2,0,0,0,0|2,0,0]=4 12244 B17R2.48 C=Cc1ccc(cc1)CSc2ccncc2 62a_100000034074_100000728582 [0,2,0,0,0,0|2,0,0]=4 12245 B17R2.48 C=Cc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000034074 [0,2,0,0,0,0|2,0,0]=4 12246 B17R2.48 C=Cc1ccc(cc1)NCc2ccccc2 207a_100011218248_100015611070 [0,2,0,0,0,0|2,0,0]=4 12247 B17R2.48 C=Cc1ccc(cc1)NCc2ccccc2 270302a_100011218248_100015611070 [0,2,0,0,0,0|2,0,0]=4 12248 B17R2.48 C=Cc1ccc(cc1)NCc2ccccc2 271570a_100011290941_100000187040 [0,2,0,0,0,0|2,0,0]=4 12249 B17R2.48 C=Cc1ccc(cc1)NCc2ccccc2 34a_100011218248_100015291786 [0,2,0,0,0,0|2,0,0]=4 12250 B17R2.48 C=Cc1ccc(cc1)OCc2ccccc2 271570a_100011290941_100000151783 [0,2,0,0,0,0|1,1,0]=4 12251 B17R2.48 C=Cc1ccc(cc1)OCc2ccccc2 34a_100000189437_100015291786 [0,2,0,0,0,0|1,1,0]=4 12252 B17R2.48 C=Cc1ccc(cc1)OCc2ccccc2 7a_100000189437_100000211182 [0,2,0,0,0,0|1,1,0]=4 12253 B17R2.48 C=Cc1ccc(cc1)SCc2ccccc2 271570a_100011290941_100009811532 [0,2,0,0,0,0|1,0,0]=3 12254 B17R2.48 C=Cc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000748128 [0,2,0,0,0,0|1,0,0]=3 12255 B17R2.48 C=Cc1ccc(cc1)SCc2ccccc2 62a_100000748128_100015291786 [0,2,0,0,0,0|1,0,0]=3 12256 B17R2.48 C=Cc1ccc(cc1)SCc2ccccn2 62a_100000721315_100000748128 [0,2,0,0,0,0|2,0,0]=4 12257 B17R2.48 C=Cc1ccc(cc1)SCc2ccccn2 62a_100000748128_100000721315 [0,2,0,0,0,0|2,0,0]=4 12258 B17R2.48 C=Cc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000748128 [0,2,0,0,0,0|2,0,0]=4 12259 B17R2.48 C=Cc1ccc(cc1)SCc2cccnc2 62a_100000748128_100000741622 [0,2,0,0,0,0|2,0,0]=4 12260 B17R2.48 C=Cc1ccc(cc1)SCc2ccncc2 62a_100000748128_100015193705 [0,2,0,0,0,0|2,0,0]=4 12261 B17R2.48 C=Cc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000748128 [0,2,0,0,0,0|2,0,0]=4 12262 B17R2.48 C=Cc1ccc(nc1)SCc2ccccc2 62a_100000211182_103436540071 [0,2,0,0,0,0|2,0,0]=4 12263 B17R2.48 C=Cc1ccc(nc1)SCc2ccccc2 62a_103436540071_100015291786 [0,2,0,0,0,0|2,0,0]=4 12264 B17R2.48 CCc1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100011215824 [0,2,0,0,0,0|2,0,0]=4 12265 B17R2.48 CCc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100011215824 [0,2,0,0,0,0|2,0,0]=4 12266 B17R2.48 CCc1ccc(cc1)C=Cc2ccccc2 271570a_200000062238_100000210277 [0,2,0,0,0,0|2,0,0]=4 12267 B17R2.48 CCc1ccc(cc1)CNc2ccccc2 207a_100000106764_100000211036 [0,2,0,0,0,0|2,0,0]=4 12268 B17R2.48 CCc1ccc(cc1)CNc2ccccc2 270302a_100000106764_100000211036 [0,2,0,0,0,0|2,0,0]=4 12269 B17R2.48 CCc1ccc(cc1)CNc2ccccc2 34a_100000106764_100000747183 [0,2,0,0,0,0|2,0,0]=4 12270 B17R2.48 CCc1ccc(cc1)COc2ccccc2 34a_100000210340_100000747183 [0,2,0,0,0,0|1,1,0]=4 12271 B17R2.48 CCc1ccc(cc1)COc2ccccc2 7a_100000210340_100000747183 [0,2,0,0,0,0|1,1,0]=4 12272 B17R2.48 CCc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000747183 [0,2,0,0,0,0|1,0,0]=3 12273 B17R2.48 CCc1ccc(cc1)CSc2ccccc2 62a_100000757233_100000041952 [0,2,0,0,0,0|1,0,0]=3 12274 B17R2.48 CCc1ccc(cc1)CSc2ccccn2 62a_100000757233_100011216584 [0,2,0,0,0,0|2,0,0]=4 12275 B17R2.48 CCc1ccc(cc1)CSc2ccccn2 62a_100011216584_100000747183 [0,2,0,0,0,0|2,0,0]=4 12276 B17R2.48 CCc1ccc(cc1)CSc2cccnc2 62a_100000210063_100000747183 [0,2,0,0,0,0|2,0,0]=4 12277 B17R2.48 CCc1ccc(cc1)CSc2cccnc2 62a_100000757233_100000210063 [0,2,0,0,0,0|2,0,0]=4 12278 B17R2.48 CCc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000747183 [0,2,0,0,0,0|2,0,0]=4 12279 B17R2.48 CCc1ccc(cc1)CSc2ccncc2 62a_100000757233_100000728582 [0,2,0,0,0,0|2,0,0]=4 12280 B17R2.48 CCc1ccc(cc1)NCc2ccccc2 207a_100000211069_100015611070 [0,2,0,0,0,0|2,0,0]=4 12281 B17R2.48 CCc1ccc(cc1)NCc2ccccc2 2230a_100000211069_100015291786 [0,2,0,0,0,0|2,0,0]=4 12282 B17R2.48 CCc1ccc(cc1)NCc2ccccc2 270302a_100000211069_100015611070 [0,2,0,0,0,0|2,0,0]=4 12283 B17R2.48 CCc1ccc(cc1)NCc2ccccc2 34a_100000211069_100015291786 [0,2,0,0,0,0|2,0,0]=4 12284 B17R2.48 CCc1ccc(cc1)OCc2ccccc2 34a_100000211359_100015291786 [0,2,0,0,0,0|1,1,0]=4 12285 B17R2.48 CCc1ccc(cc1)OCc2ccccc2 7a_100000211359_100000211182 [0,2,0,0,0,0|1,1,0]=4 12286 B17R2.48 CCc1ccc(cc1)SCc2ccccc2 62a_100000211182_100011215824 [0,2,0,0,0,0|1,0,0]=3 12287 B17R2.48 CCc1ccc(cc1)SCc2ccccc2 62a_100011215824_100015291786 [0,2,0,0,0,0|1,0,0]=3 12288 B17R2.48 CCc1ccc(cc1)SCc2ccccn2 62a_100000721315_100011215824 [0,2,0,0,0,0|2,0,0]=4 12289 B17R2.48 CCc1ccc(cc1)SCc2ccccn2 62a_100011215824_100000721315 [0,2,0,0,0,0|2,0,0]=4 12290 B17R2.48 CCc1ccc(cc1)SCc2cccnc2 62a_100000741622_100011215824 [0,2,0,0,0,0|2,0,0]=4 12291 B17R2.48 CCc1ccc(cc1)SCc2cccnc2 62a_100011215824_100000741622 [0,2,0,0,0,0|2,0,0]=4 12292 B17R2.48 CCc1ccc(cc1)SCc2ccncc2 62a_100011215824_100015193705 [0,2,0,0,0,0|2,0,0]=4 12293 B17R2.48 CCc1ccc(cc1)SCc2ccncc2 62a_100015193705_100011215824 [0,2,0,0,0,0|2,0,0]=4 12294 B17R2.48 CCc1ccc(cn1)SCc2ccccc2 62a_100000211182_100009820025 [0,2,0,0,0,0|2,0,0]=4 12295 B17R2.48 CCc1ccc(cn1)SCc2ccccc2 62a_100009820025_100015291786 [0,2,0,0,0,0|2,0,0]=4 12296 B17R2.48 CCc1ccc(nc1)SCc2ccccc2 62a_100000211182_100009843584 [0,2,0,0,0,0|2,0,0]=4 12297 B17R2.48 CCc1ccc(nc1)SCc2ccccc2 62a_100009843584_100015291786 [0,2,0,0,0,0|2,0,0]=4 12298 B17R2.48 CNc1ccc(cc1)/C=C/c2ccccc2 34a_200020586577_200000210301 [0,2,0,0,0,0|2,0,0]=4 12299 B17R2.48 CNc1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100000219623 [0,2,0,0,0,0|2,0,0]=4 12300 B17R2.48 CNc1ccc(cc1)C#Cc2ccccc2 34a_100000029052_200000210301 [0,2,0,0,0,0|2,0,0]=4 12301 B17R2.48 CNc1ccc(cc1)C#Cc2ccccc2 7a_100000029052_200000210301 [0,2,0,0,0,0|2,0,0]=4 12302 B17R2.48 CNc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000219623 [0,2,0,0,0,0|2,0,0]=4 12303 B17R2.48 CNc1ccc(cc1)CCc2ccccc2 2230a_100103152855_200000210301 [0,2,0,0,0,0|2,0,0]=4 12304 B17R2.48 CNc1ccc(cc1)CCc2ccccc2 34a_100103152855_200000210301 [0,2,0,0,0,0|2,0,0]=4 12305 B17R2.48 CNc1ccc(cc1)CCc2ccccc2 7a_100103152855_200000210301 [0,2,0,0,0,0|2,0,0]=4 12306 B17R2.48 CNc1ccc(cc1)N=Nc2ccccc2 34a_100015195084_200000210301 [0,2,0,0,0,0|2,0,0]=4 12307 B17R2.48 CNc1ccc(cc1)OCc2ccccc2 34a_100000182112_100015291786 [0,2,0,0,0,0|1,1,0]=4 12308 B17R2.48 CNc1ccc(cc1)OCc2ccccc2 34a_100000715749_200000210301 [0,2,0,0,0,0|1,1,0]=4 12309 B17R2.48 CNc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000743151 [0,2,0,0,0,0|1,0,0]=3 12310 B17R2.48 CNc1ccc(cc1)SCc2ccccc2 62a_100000743151_100015291786 [0,2,0,0,0,0|1,0,0]=3 12311 B17R2.48 CNc1ccc(cc1)SCc2ccccn2 62a_100000721315_100000743151 [0,2,0,0,0,0|2,0,0]=4 12312 B17R2.48 CNc1ccc(cc1)SCc2ccccn2 62a_100000743151_100000721315 [0,2,0,0,0,0|2,0,0]=4 12313 B17R2.48 CNc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000743151 [0,2,0,0,0,0|2,0,0]=4 12314 B17R2.48 CNc1ccc(cc1)SCc2cccnc2 62a_100000743151_100000741622 [0,2,0,0,0,0|2,0,0]=4 12315 B17R2.48 CNc1ccc(cc1)SCc2ccncc2 62a_100000743151_100015193705 [0,2,0,0,0,0|2,0,0]=4 12316 B17R2.48 CNc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000743151 [0,2,0,0,0,0|2,0,0]=4 12317 B17R2.48 CNc1ccc(cn1)SCc2ccccc2 62a_100000211182_100000741341 [0,2,0,0,0,0|2,0,0]=4 12318 B17R2.48 CNc1ccc(cn1)SCc2ccccc2 62a_100000741341_100015291786 [0,2,0,0,0,0|2,0,0]=4 12319 B17R2.48 CNc1ccc(nc1)SCc2ccccc2 62a_100000211182_100000764248 [0,2,0,0,0,0|2,0,0]=4 12320 B17R2.48 CNc1ccc(nc1)SCc2ccccc2 62a_100000764248_100015291786 [0,2,0,0,0,0|2,0,0]=4 12321 B17R2.48 COc1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100000171711 [0,2,0,0,0,0|2,0,0]=4 12322 B17R2.48 COc1ccc(cc1)C=Cc2ccccc2 271570a_100000062342_100000210277 [0,2,0,0,0,0|2,0,0]=4 12323 B17R2.48 COc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000171711 [0,2,0,0,0,0|2,0,0]=4 12324 B17R2.48 COc1ccc(cc1)CNc2ccccc2 207a_100000106764_100000169835 [0,2,0,0,0,0|2,0,0]=4 12325 B17R2.48 COc1ccc(cc1)CNc2ccccc2 270302a_100000106764_100000169835 [0,2,0,0,0,0|2,0,0]=4 12326 B17R2.48 COc1ccc(cc1)CNc2ccccc2 34a_100000106764_100000742318 [0,2,0,0,0,0|2,0,0]=4 12327 B17R2.48 COc1ccc(cc1)COc2ccccc2 34a_100000210340_100000742318 [0,2,0,0,0,0|1,1,0]=4 12328 B17R2.48 COc1ccc(cc1)COc2ccccc2 7a_100000210340_100000742318 [0,2,0,0,0,0|1,1,0]=4 12329 B17R2.48 COc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000742318 [0,2,0,0,0,0|1,0,0]=3 12330 B17R2.48 COc1ccc(cc1)CSc2ccccn2 62a_100011216584_100000742318 [0,2,0,0,0,0|2,0,0]=4 12331 B17R2.48 COc1ccc(cc1)CSc2cccnc2 62a_100000210063_100000742318 [0,2,0,0,0,0|2,0,0]=4 12332 B17R2.48 COc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000742318 [0,2,0,0,0,0|2,0,0]=4 12333 B17R2.48 COc1ccc(cc1)N=Nc2ccccc2 34a_100000066408_200000210301 [0,2,0,0,0,0|2,0,0]=4 12334 B17R2.48 COc1ccc(cc1)N=Nc2ccccc2 7a_100000066408_200000210301 [0,2,0,0,0,0|2,0,0]=4 12335 B17R2.48 COc1ccc(cc1)NCc2ccccc2 207a_100000184247_100015611070 [0,2,0,0,0,0|2,0,0]=4 12336 B17R2.48 COc1ccc(cc1)NCc2ccccc2 270302a_100000184247_100015611070 [0,2,0,0,0,0|2,0,0]=4 12337 B17R2.48 COc1ccc(cc1)NCc2ccccc2 34a_100000184247_100015291786 [0,2,0,0,0,0|2,0,0]=4 12338 B17R2.48 COc1ccc(cc1)NCc2ccccc2 34a_200000188756_200000210301 [0,2,0,0,0,0|2,0,0]=4 12339 B17R2.48 COc1ccc(cc1)OCc2ccccc2 34a_100000210503_100015291786 [0,2,0,0,0,0|1,1,0]=4 12340 B17R2.48 COc1ccc(cc1)OCc2ccccc2 34a_100000211210_200000210301 [0,2,0,0,0,0|1,1,0]=4 12341 B17R2.48 COc1ccc(cc1)OCc2ccccc2 7a_100000211210_200000210301 [0,2,0,0,0,0|1,1,0]=4 12342 B17R2.48 COc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000171711 [0,2,0,0,0,0|1,0,0]=3 12343 B17R2.48 COc1ccc(cc1)SCc2ccccn2 62a_100000721315_100000171711 [0,2,0,0,0,0|2,0,0]=4 12344 B17R2.48 COc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000171711 [0,2,0,0,0,0|2,0,0]=4 12345 B17R2.48 COc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000171711 [0,2,0,0,0,0|2,0,0]=4 12346 B17R2.48 COc1ccc(cn1)CSc2ccccc2 62a_100000719477_100020631284 [0,2,0,0,0,0|2,0,0]=4 12347 B17R2.48 COc1ccc(cn1)CSc2ccccc2 62a_100020631284_100000041952 [0,2,0,0,0,0|2,0,0]=4 12348 B17R2.48 COc1ccc(cn1)SCc2ccccc2 62a_100000047065_100015291786 [0,2,0,0,0,0|2,0,0]=4 12349 B17R2.48 COc1ccc(cn1)SCc2ccccc2 62a_100000211182_100000047065 [0,2,0,0,0,0|2,0,0]=4 12350 B17R2.48 COc1ccc(nc1)CSc2ccccc2 62a_100000719477_200000757186 [0,2,0,0,0,0|2,0,0]=4 12351 B17R2.48 COc1ccc(nc1)CSc2ccccc2 62a_200000757186_100000041952 [0,2,0,0,0,0|2,0,0]=4 12352 B17R2.48 COc1ccc(nc1)SCc2ccccc2 62a_100000211182_100000744180 [0,2,0,0,0,0|2,0,0]=4 12353 B17R2.48 COc1ccc(nc1)SCc2ccccc2 62a_100000755202_100015291786 [0,2,0,0,0,0|2,0,0]=4 12354 B17R2.48 CSc1ccc(cc1)/C=C/c2ccccc2 62a_100016990502_200000210301 [0,2,0,0,0,0|2,0,0]=4 12355 B17R2.48 CSc1ccc(cc1)/C=C/c2ccccc2 62a_200000210301_100016990502 [0,2,0,0,0,0|2,0,0]=4 12356 B17R2.48 CSc1ccc(cc1)/N=N/c2ccccc2 62a_200000210301_100029724385 [0,2,0,0,0,0|2,0,0]=4 12357 B17R2.48 CSc1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100011263217 [0,2,0,0,0,0|2,0,0]=4 12358 B17R2.48 CSc1ccc(cc1)C#Cc2ccccc2 62a_200000210301_100010000412 [0,2,0,0,0,0|2,0,0]=4 12359 B17R2.48 CSc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100011263217 [0,2,0,0,0,0|2,0,0]=4 12360 B17R2.48 CSc1ccc(cc1)CNc2ccccc2 207a_100000106764_100000211154 [0,2,0,0,0,0|2,0,0]=4 12361 B17R2.48 CSc1ccc(cc1)CNc2ccccc2 34a_100000106764_100000181263 [0,2,0,0,0,0|2,0,0]=4 12362 B17R2.48 CSc1ccc(cc1)COc2ccccc2 34a_100000210340_100000181263 [0,2,0,0,0,0|1,1,0]=4 12363 B17R2.48 CSc1ccc(cc1)COc2ccccc2 7a_100000210340_100000181263 [0,2,0,0,0,0|1,1,0]=4 12364 B17R2.48 CSc1ccc(cc1)CSc2ccccc2 62a_100000181263_100000041952 [0,2,0,0,0,0|1,0,0]=3 12365 B17R2.48 CSc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000181263 [0,2,0,0,0,0|1,0,0]=3 12366 B17R2.48 CSc1ccc(cc1)CSc2ccccn2 62a_100000181263_100011216584 [0,2,0,0,0,0|2,0,0]=4 12367 B17R2.48 CSc1ccc(cc1)CSc2ccccn2 62a_100011216584_100000181263 [0,2,0,0,0,0|2,0,0]=4 12368 B17R2.48 CSc1ccc(cc1)CSc2cccnc2 62a_100000181263_100000210063 [0,2,0,0,0,0|2,0,0]=4 12369 B17R2.48 CSc1ccc(cc1)CSc2cccnc2 62a_100000210063_100000181263 [0,2,0,0,0,0|2,0,0]=4 12370 B17R2.48 CSc1ccc(cc1)CSc2ccncc2 62a_100000181263_100000728582 [0,2,0,0,0,0|2,0,0]=4 12371 B17R2.48 CSc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000181263 [0,2,0,0,0,0|2,0,0]=4 12372 B17R2.48 CSc1ccc(cc1)NCc2ccccc2 207a_100000212337_100015611070 [0,2,0,0,0,0|2,0,0]=4 12373 B17R2.48 CSc1ccc(cc1)NCc2ccccc2 270302a_100000212337_100015611070 [0,2,0,0,0,0|2,0,0]=4 12374 B17R2.48 CSc1ccc(cc1)NCc2ccccc2 34a_100000212337_100015291786 [0,2,0,0,0,0|2,0,0]=4 12375 B17R2.48 CSc1ccc(cc1)NCc2ccccc2 62a_200000210301_100000187040 [0,2,0,0,0,0|2,0,0]=4 12376 B17R2.48 CSc1ccc(cc1)OCc2ccccc2 34a_100000211864_100015291786 [0,2,0,0,0,0|1,1,0]=4 12377 B17R2.48 CSc1ccc(cc1)OCc2ccccc2 62a_200000210301_100000151675 [0,2,0,0,0,0|1,1,0]=4 12378 B17R2.48 CSc1ccc(cc1)SCc2ccccc2 62a_100000211182_100011263217 [0,2,0,0,0,0|1,0,0]=3 12379 B17R2.48 CSc1ccc(cc1)SCc2ccccc2 62a_100009811532_200000210301 [0,2,0,0,0,0|1,0,0]=3 12380 B17R2.48 CSc1ccc(cc1)SCc2ccccc2 62a_100011263217_100015291786 [0,2,0,0,0,0|1,0,0]=3 12381 B17R2.48 CSc1ccc(cc1)SCc2ccccc2 62a_200000210301_100009811532 [0,2,0,0,0,0|1,0,0]=3 12382 B17R2.48 CSc1ccc(cc1)SCc2ccccn2 62a_100000721315_100011263217 [0,2,0,0,0,0|2,0,0]=4 12383 B17R2.48 CSc1ccc(cc1)SCc2ccccn2 62a_100011263217_100000721315 [0,2,0,0,0,0|2,0,0]=4 12384 B17R2.48 CSc1ccc(cc1)SCc2cccnc2 62a_100000741622_100011263217 [0,2,0,0,0,0|2,0,0]=4 12385 B17R2.48 CSc1ccc(cc1)SCc2cccnc2 62a_100011263217_100000741622 [0,2,0,0,0,0|2,0,0]=4 12386 B17R2.48 CSc1ccc(cc1)SCc2ccncc2 62a_100011263217_100015193705 [0,2,0,0,0,0|2,0,0]=4 12387 B17R2.48 CSc1ccc(cc1)SCc2ccncc2 62a_100015193705_100011263217 [0,2,0,0,0,0|2,0,0]=4 12388 B17R2.48 CSc1ccc(cn1)SCc2ccccc2 62a_100000211182_100011408404 [0,2,0,0,0,0|2,0,0]=4 12389 B17R2.48 CSc1ccc(cn1)SCc2ccccc2 62a_100011408404_100015291786 [0,2,0,0,0,0|2,0,0]=4 12390 B17R2.48 CSc1ccc(nc1)SCc2ccccc2 62a_100000211182_100009820866 [0,2,0,0,0,0|2,0,0]=4 12391 B17R2.48 CSc1ccc(nc1)SCc2ccccc2 62a_100009820866_100015291786 [0,2,0,0,0,0|2,0,0]=4 12392 B17R2.48 ClN=C1C=CC(=NNc2ccccc2)C=C1 4a_100015195140_100000088476 [0,2,0,0,0,0|2,0,0]=4 12393 B17R2.48 FCc1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100010268989 [0,2,0,0,0,0|2,0,0]=4 12394 B17R2.48 FCc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100010268989 [0,2,0,0,0,0|2,0,0]=4 12395 B17R2.48 FCc1ccc(cc1)SCc2ccccc2 62a_100000211182_100010268989 [0,2,0,0,0,0|1,0,0]=3 12396 B17R2.48 FCc1ccc(cc1)SCc2ccccc2 62a_100010268989_100015291786 [0,2,0,0,0,0|1,0,0]=3 12397 B17R2.48 FCc1ccc(cc1)SCc2ccccn2 62a_100000721315_100010268989 [0,2,0,0,0,0|2,0,0]=4 12398 B17R2.48 FCc1ccc(cc1)SCc2ccccn2 62a_100010268989_100000721315 [0,2,0,0,0,0|2,0,0]=4 12399 B17R2.48 FCc1ccc(cc1)SCc2cccnc2 62a_100000741622_100010268989 [0,2,0,0,0,0|2,0,0]=4 12400 B17R2.48 FCc1ccc(cc1)SCc2cccnc2 62a_100010268989_100000741622 [0,2,0,0,0,0|2,0,0]=4 12401 B17R2.48 FCc1ccc(cc1)SCc2ccncc2 62a_100010268989_100015193705 [0,2,0,0,0,0|2,0,0]=4 12402 B17R2.48 FCc1ccc(cc1)SCc2ccncc2 62a_100015193705_100010268989 [0,2,0,0,0,0|2,0,0]=4 12403 B17R2.48 N#Cc1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100000179745 [0,2,0,0,0,0|2,0,0]=4 12404 B17R2.48 N#Cc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000179745 [0,2,0,0,0,0|2,0,0]=4 12405 B17R2.48 N#Cc1ccc(cc1)C=Cc2ccccc2 271570a_100102527917_100000210277 [0,2,0,0,0,0|2,0,0]=4 12406 B17R2.48 N#Cc1ccc(cc1)CNc2ccccc2 207a_100000106764_100000211122 [0,2,0,0,0,0|2,0,0]=4 12407 B17R2.48 N#Cc1ccc(cc1)CNc2ccccc2 270302a_100000106764_100000211122 [0,2,0,0,0,0|2,0,0]=4 12408 B17R2.48 N#Cc1ccc(cc1)CNc2ccccc2 34a_100000106764_100000184898 [0,2,0,0,0,0|2,0,0]=4 12409 B17R2.48 N#Cc1ccc(cc1)COc2ccccc2 34a_100000210340_100000184898 [0,2,0,0,0,0|1,1,0]=4 12410 B17R2.48 N#Cc1ccc(cc1)COc2ccccc2 7a_100000210340_100000184898 [0,2,0,0,0,0|1,1,0]=4 12411 B17R2.48 N#Cc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000184898 [0,2,0,0,0,0|1,0,0]=3 12412 B17R2.48 N#Cc1ccc(cc1)CSc2ccccn2 62a_100011216584_100000184898 [0,2,0,0,0,0|2,0,0]=4 12413 B17R2.48 N#Cc1ccc(cc1)CSc2cccnc2 62a_100000210063_100000184898 [0,2,0,0,0,0|2,0,0]=4 12414 B17R2.48 N#Cc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000184898 [0,2,0,0,0,0|2,0,0]=4 12415 B17R2.48 N#Cc1ccc(cc1)NCc2ccccc2 270302a_100000185469_100015611070 [0,2,0,0,0,0|2,0,0]=4 12416 B17R2.48 N#Cc1ccc(cc1)NCc2ccccc2 34a_100000185469_100015291786 [0,2,0,0,0,0|2,0,0]=4 12417 B17R2.48 N#Cc1ccc(cc1)OCc2ccccc2 34a_100000210344_100015291786 [0,2,0,0,0,0|1,1,0]=4 12418 B17R2.48 N#Cc1ccc(cc1)OCc2ccccc2 7a_100000210344_100000211182 [0,2,0,0,0,0|1,1,0]=4 12419 B17R2.48 N#Cc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000184291 [0,2,0,0,0,0|1,0,0]=3 12420 B17R2.48 N#Cc1ccc(cc1)SCc2ccccn2 62a_100000721315_100000184291 [0,2,0,0,0,0|2,0,0]=4 12421 B17R2.48 N#Cc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000184291 [0,2,0,0,0,0|2,0,0]=4 12422 B17R2.48 N#Cc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000184291 [0,2,0,0,0,0|2,0,0]=4 12423 B17R2.48 N#Cc1ccc(cn1)CSc2ccccc2 62a_100000719477_100009816919 [0,2,0,0,0,0|2,0,0]=4 12424 B17R2.48 N#Cc1ccc(cn1)SCc2ccccc2 62a_100000211182_100000760455 [0,2,0,0,0,0|2,0,0]=4 12425 B17R2.48 N#Cc1ccc(nc1)CSc2ccccc2 62a_100000719477_100000693164 [0,2,0,0,0,0|2,0,0]=4 12426 B17R2.48 N#Cc1ccc(nc1)SCc2ccccc2 62a_100000211182_100000241038 [0,2,0,0,0,0|2,0,0]=4 12427 B17R2.48 NCc1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100016989417 [0,2,0,0,0,0|2,0,0]=4 12428 B17R2.48 NCc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100016989417 [0,2,0,0,0,0|2,0,0]=4 12429 B17R2.48 NCc1ccc(cc1)OCc2ccccc2 34a_100000185549_100015291786 [0,2,0,0,0,0|1,1,0]=4 12430 B17R2.48 NCc1ccc(cc1)SCc2ccccc2 62a_100000211182_100016989417 [0,2,0,0,0,0|1,0,0]=3 12431 B17R2.48 NCc1ccc(cc1)SCc2ccccc2 62a_100016989417_100015291786 [0,2,0,0,0,0|1,0,0]=3 12432 B17R2.48 NCc1ccc(cc1)SCc2ccccn2 62a_100000721315_100016989417 [0,2,0,0,0,0|2,0,0]=4 12433 B17R2.48 NCc1ccc(cc1)SCc2ccccn2 62a_100016989417_100000721315 [0,2,0,0,0,0|2,0,0]=4 12434 B17R2.48 NCc1ccc(cc1)SCc2cccnc2 62a_100000741622_100016989417 [0,2,0,0,0,0|2,0,0]=4 12435 B17R2.48 NCc1ccc(cc1)SCc2cccnc2 62a_100016989417_100000741622 [0,2,0,0,0,0|2,0,0]=4 12436 B17R2.48 NCc1ccc(cc1)SCc2ccncc2 62a_100015193705_100016989417 [0,2,0,0,0,0|2,0,0]=4 12437 B17R2.48 NCc1ccc(cc1)SCc2ccncc2 62a_100016989417_100015193705 [0,2,0,0,0,0|2,0,0]=4 12438 B17R2.48 NCc1ccc(cn1)SCc2ccccc2 62a_100000211182_100015188789 [0,2,0,0,0,0|2,0,0]=4 12439 B17R2.48 NCc1ccc(cn1)SCc2ccccc2 62a_100015188789_100015291786 [0,2,0,0,0,0|2,0,0]=4 12440 B17R2.48 NCc1ccc(nc1)SCc2ccccc2 62a_100000211182_100000735879 [0,2,0,0,0,0|2,0,0]=4 12441 B17R2.48 NCc1ccc(nc1)SCc2ccccc2 62a_100000735879_100015291786 [0,2,0,0,0,0|2,0,0]=4 12442 B17R2.48 NNc1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100016988836 [0,2,0,0,0,0|2,0,0]=4 12443 B17R2.48 NNc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100016988836 [0,2,0,0,0,0|2,0,0]=4 12444 B17R2.48 NNc1ccc(cc1)SCc2ccccc2 62a_100000211182_100016988836 [0,2,0,0,0,0|1,0,0]=3 12445 B17R2.48 NNc1ccc(cc1)SCc2ccccc2 62a_100016988836_100015291786 [0,2,0,0,0,0|1,0,0]=3 12446 B17R2.48 NNc1ccc(cc1)SCc2ccccn2 62a_100000721315_100016988836 [0,2,0,0,0,0|2,0,0]=4 12447 B17R2.48 NNc1ccc(cc1)SCc2ccccn2 62a_100016988836_100000721315 [0,2,0,0,0,0|2,0,0]=4 12448 B17R2.48 NNc1ccc(cc1)SCc2cccnc2 62a_100000741622_100016988836 [0,2,0,0,0,0|2,0,0]=4 12449 B17R2.48 NNc1ccc(cc1)SCc2cccnc2 62a_100016988836_100000741622 [0,2,0,0,0,0|2,0,0]=4 12450 B17R2.48 NNc1ccc(cc1)SCc2ccncc2 62a_100015193705_100016988836 [0,2,0,0,0,0|2,0,0]=4 12451 B17R2.48 NNc1ccc(cc1)SCc2ccncc2 62a_100016988836_100015193705 [0,2,0,0,0,0|2,0,0]=4 12452 B17R2.48 NNc1ccc(cn1)SCc2ccccc2 62a_100000211182_100000750576 [0,2,0,0,0,0|2,0,0]=4 12453 B17R2.48 NNc1ccc(cn1)SCc2ccccc2 62a_100000750576_100015291786 [0,2,0,0,0,0|2,0,0]=4 12454 B17R2.48 NNc1ccc(nc1)SCc2ccccc2 62a_100000211182_100000119030 [0,2,0,0,0,0|2,0,0]=4 12455 B17R2.48 NNc1ccc(nc1)SCc2ccccc2 62a_100000755011_100015291786 [0,2,0,0,0,0|2,0,0]=4 12456 B17R2.48 O=Cc1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100000186029 [0,2,0,0,0,0|2,0,0]=4 12457 B17R2.48 O=Cc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000186029 [0,2,0,0,0,0|2,0,0]=4 12458 B17R2.48 O=Cc1ccc(cc1)CNc2ccccc2 34a_100000106764_100009816848 [0,2,0,0,0,0|2,0,0]=4 12459 B17R2.48 O=Cc1ccc(cc1)COc2ccccc2 34a_100000210340_100009816848 [0,2,0,0,0,0|1,1,0]=4 12460 B17R2.48 O=Cc1ccc(cc1)COc2ccccc2 7a_100000210340_100009816848 [0,2,0,0,0,0|1,1,0]=4 12461 B17R2.48 O=Cc1ccc(cc1)CSc2ccccc2 62a_100000719477_100009816848 [0,2,0,0,0,0|1,0,0]=3 12462 B17R2.48 O=Cc1ccc(cc1)CSc2ccccc2 62a_100009816848_100000041952 [0,2,0,0,0,0|1,0,0]=3 12463 B17R2.48 O=Cc1ccc(cc1)CSc2ccccn2 62a_100009816848_100011216584 [0,2,0,0,0,0|2,0,0]=4 12464 B17R2.48 O=Cc1ccc(cc1)CSc2ccccn2 62a_100011216584_100009816848 [0,2,0,0,0,0|2,0,0]=4 12465 B17R2.48 O=Cc1ccc(cc1)CSc2cccnc2 62a_100000210063_100009816848 [0,2,0,0,0,0|2,0,0]=4 12466 B17R2.48 O=Cc1ccc(cc1)CSc2cccnc2 62a_100009816848_100000210063 [0,2,0,0,0,0|2,0,0]=4 12467 B17R2.48 O=Cc1ccc(cc1)CSc2ccncc2 62a_100000728582_100009816848 [0,2,0,0,0,0|2,0,0]=4 12468 B17R2.48 O=Cc1ccc(cc1)CSc2ccncc2 62a_100009816848_100000728582 [0,2,0,0,0,0|2,0,0]=4 12469 B17R2.48 O=Cc1ccc(cc1)SCc2ccccc2 62a_100000188517_100015291786 [0,2,0,0,0,0|1,0,0]=3 12470 B17R2.48 O=Cc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000188517 [0,2,0,0,0,0|1,0,0]=3 12471 B17R2.48 O=Cc1ccc(cc1)SCc2ccccn2 62a_100000188517_100000721315 [0,2,0,0,0,0|2,0,0]=4 12472 B17R2.48 O=Cc1ccc(cc1)SCc2ccccn2 62a_100000721315_100000188517 [0,2,0,0,0,0|2,0,0]=4 12473 B17R2.48 O=Cc1ccc(cc1)SCc2cccnc2 62a_100000188517_100000741622 [0,2,0,0,0,0|2,0,0]=4 12474 B17R2.48 O=Cc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000188517 [0,2,0,0,0,0|2,0,0]=4 12475 B17R2.48 O=Cc1ccc(cc1)SCc2ccncc2 62a_100000188517_100015193705 [0,2,0,0,0,0|2,0,0]=4 12476 B17R2.48 O=Cc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000188517 [0,2,0,0,0,0|2,0,0]=4 12477 B17R2.48 O=Cc1ccc(cn1)SCc2ccccc2 62a_100000211182_100000754260 [0,2,0,0,0,0|2,0,0]=4 12478 B17R2.48 O=Cc1ccc(cn1)SCc2ccccc2 62a_100000754260_100015291786 [0,2,0,0,0,0|2,0,0]=4 12479 B17R2.48 O=Cc1ccc(nc1)SCc2ccccc2 62a_100000211182_100000766901 [0,2,0,0,0,0|2,0,0]=4 12480 B17R2.48 O=Cc1ccc(nc1)SCc2ccccc2 62a_100000766901_100015291786 [0,2,0,0,0,0|2,0,0]=4 12481 B17R2.48 OCc1ccc(cc1)C#Cc2ccccc2 271570a_100000069678_100000690907 [0,2,0,0,0,0|2,0,0]=4 12482 B17R2.48 OCc1ccc(cc1)C=Cc2ccccc2 271570a_100102527694_100000690907 [0,2,0,0,0,0|2,0,0]=4 12483 B17R2.48 OCc1ccc(cc1)CNc2ccccc2 207a_100000106764_100009832023 [0,2,0,0,0,0|2,0,0]=4 12484 B17R2.48 OCc1ccc(cc1)CNc2ccccc2 270302a_100000106764_100009832023 [0,2,0,0,0,0|2,0,0]=4 12485 B17R2.48 OCc1ccc(cc1)CNc2ccccc2 34a_100000106764_100000067286 [0,2,0,0,0,0|2,0,0]=4 12486 B17R2.48 OCc1ccc(cc1)COc2ccccc2 34a_100000210340_100000067286 [0,2,0,0,0,0|1,1,0]=4 12487 B17R2.48 OCc1ccc(cc1)COc2ccccc2 7a_100000210340_100000067286 [0,2,0,0,0,0|1,1,0]=4 12488 B17R2.48 OCc1ccc(cc1)CSc2ccccc2 62a_100000067286_100000041952 [0,2,0,0,0,0|1,0,0]=3 12489 B17R2.48 OCc1ccc(cc1)CSc2ccccc2 62a_100000719477_100000067286 [0,2,0,0,0,0|1,0,0]=3 12490 B17R2.48 OCc1ccc(cc1)CSc2ccccn2 62a_100000067286_100011216584 [0,2,0,0,0,0|2,0,0]=4 12491 B17R2.48 OCc1ccc(cc1)CSc2ccccn2 62a_100011216584_100000067286 [0,2,0,0,0,0|2,0,0]=4 12492 B17R2.48 OCc1ccc(cc1)CSc2cccnc2 62a_100000067286_100000210063 [0,2,0,0,0,0|2,0,0]=4 12493 B17R2.48 OCc1ccc(cc1)CSc2cccnc2 62a_100000210063_100000067286 [0,2,0,0,0,0|2,0,0]=4 12494 B17R2.48 OCc1ccc(cc1)CSc2ccncc2 62a_100000067286_100000728582 [0,2,0,0,0,0|2,0,0]=4 12495 B17R2.48 OCc1ccc(cc1)CSc2ccncc2 62a_100000728582_100000067286 [0,2,0,0,0,0|2,0,0]=4 12496 B17R2.48 OCc1ccc(cc1)NCc2ccccc2 2230a_100011215238_100015291786 [0,2,0,0,0,0|2,0,0]=4 12497 B17R2.48 OCc1ccc(cc1)NCc2ccccc2 270302a_100011215238_100015611070 [0,2,0,0,0,0|2,0,0]=4 12498 B17R2.48 OCc1ccc(cc1)NCc2ccccc2 34a_100011215238_100015291786 [0,2,0,0,0,0|2,0,0]=4 12499 B17R2.48 OCc1ccc(cc1)OCc2ccccc2 34a_100000211755_100015291786 [0,2,0,0,0,0|1,1,0]=4 12500 B17R2.48 OCc1ccc(cc1)SCc2ccccc2 62a_100000211182_100000690907 [0,2,0,0,0,0|1,0,0]=3 12501 B17R2.48 OCc1ccc(cc1)SCc2ccccc2 62a_100000690907_100015291786 [0,2,0,0,0,0|1,0,0]=3 12502 B17R2.48 OCc1ccc(cc1)SCc2ccccn2 62a_100000690907_100000721315 [0,2,0,0,0,0|2,0,0]=4 12503 B17R2.48 OCc1ccc(cc1)SCc2ccccn2 62a_100000721315_100000690907 [0,2,0,0,0,0|2,0,0]=4 12504 B17R2.48 OCc1ccc(cc1)SCc2cccnc2 62a_100000690907_100000741622 [0,2,0,0,0,0|2,0,0]=4 12505 B17R2.48 OCc1ccc(cc1)SCc2cccnc2 62a_100000741622_100000690907 [0,2,0,0,0,0|2,0,0]=4 12506 B17R2.48 OCc1ccc(cc1)SCc2ccncc2 62a_100000690907_100015193705 [0,2,0,0,0,0|2,0,0]=4 12507 B17R2.48 OCc1ccc(cc1)SCc2ccncc2 62a_100015193705_100000690907 [0,2,0,0,0,0|2,0,0]=4 12508 B17R2.48 OCc1ccc(cn1)SCc2ccccc2 62a_100000211182_100000754261 [0,2,0,0,0,0|2,0,0]=4 12509 B17R2.48 OCc1ccc(cn1)SCc2ccccc2 62a_100000754261_100015291786 [0,2,0,0,0,0|2,0,0]=4 12510 B17R2.48 OCc1ccc(nc1)SCc2ccccc2 62a_100000211182_100009816760 [0,2,0,0,0,0|2,0,0]=4 12511 B17R2.48 OCc1ccc(nc1)SCc2ccccc2 62a_100009816760_100015291786 [0,2,0,0,0,0|2,0,0]=4 12512 B17R2.48 ON=C1C=CC(=NNc2ccccc2)C=C1 4a_100015195140_200000095120 [0,2,0,0,0,0|2,0,0]=4 12513 B17R2.48 [13CH3]Nc1ccc(cc1)/C=C/c2ccccc2 34a_200020586577_200025704644 [0,2,0,0,0,0|2,0,0]=4 12514 B17R2.48 [13CH3]Nc1ccc(cc1)C#Cc2ccccc2 34a_100000029052_200025704644 [0,2,0,0,0,0|2,0,0]=4 12515 B17R2.48 [13CH3]Nc1ccc(cc1)C#Cc2ccccc2 7a_100000029052_200025704644 [0,2,0,0,0,0|2,0,0]=4 12516 B17R2.48 [13CH3]Nc1ccc(cc1)CCc2ccccc2 2230a_100103152855_200025704644 [0,2,0,0,0,0|2,0,0]=4 12517 B17R2.48 [13CH3]Nc1ccc(cc1)CCc2ccccc2 34a_100103152855_200025704644 [0,2,0,0,0,0|2,0,0]=4 12518 B17R2.48 [13CH3]Nc1ccc(cc1)CCc2ccccc2 7a_100103152855_200025704644 [0,2,0,0,0,0|2,0,0]=4 12519 B17R2.48 [13CH3]Nc1ccc(cc1)N=Nc2ccccc2 34a_100015195084_200025704644 [0,2,0,0,0,0|2,0,0]=4 12520 B17R2.48 [13CH3]Nc1ccc(cc1)OCc2ccccc2 34a_100000715749_200025704644 [0,2,0,0,0,0|1,1,0]=4 12521 B17R2.48 [13CH3]Oc1ccc(cc1)N=Nc2ccccc2 34a_100000066408_200025704644 [0,2,0,0,0,0|2,0,0]=4 12522 B17R2.48 [13CH3]Oc1ccc(cc1)N=Nc2ccccc2 7a_100000066408_200025704644 [0,2,0,0,0,0|2,0,0]=4 12523 B17R2.48 [13CH3]Oc1ccc(cc1)NCc2ccccc2 34a_200000188756_200025704644 [0,2,0,0,0,0|2,0,0]=4 12524 B17R2.48 [13CH3]Oc1ccc(cc1)OCc2ccccc2 34a_100000211210_200025704644 [0,2,0,0,0,0|1,1,0]=4 12525 B17R2.48 [13CH3]Oc1ccc(cc1)OCc2ccccc2 7a_100000211210_200025704644 [0,2,0,0,0,0|1,1,0]=4 12526 B17R2.48 [13CH3]Sc1ccc(cc1)/C=C/c2ccccc2 62a_100016990502_200025704644 [0,2,0,0,0,0|2,0,0]=4 12527 B17R2.48 [13CH3]Sc1ccc(cc1)/C=C/c2ccccc2 62a_200025704644_100016990502 [0,2,0,0,0,0|2,0,0]=4 12528 B17R2.48 [13CH3]Sc1ccc(cc1)/N=N/c2ccccc2 62a_200025704644_100029724385 [0,2,0,0,0,0|2,0,0]=4 12529 B17R2.48 [13CH3]Sc1ccc(cc1)C#Cc2ccccc2 62a_200025704644_100010000412 [0,2,0,0,0,0|2,0,0]=4 12530 B17R2.48 [13CH3]Sc1ccc(cc1)NCc2ccccc2 62a_200025704644_100000187040 [0,2,0,0,0,0|2,0,0]=4 12531 B17R2.48 [13CH3]Sc1ccc(cc1)OCc2ccccc2 62a_200025704644_100000151675 [0,2,0,0,0,0|1,1,0]=4 12532 B17R2.48 [13CH3]Sc1ccc(cc1)SCc2ccccc2 62a_100009811532_200025704644 [0,2,0,0,0,0|1,0,0]=3 12533 B17R2.48 [13CH3]Sc1ccc(cc1)SCc2ccccc2 62a_200025704644_100009811532 [0,2,0,0,0,0|1,0,0]=3 12534 B17R2.193 Brc1cc(ccc1I)NCc2ccccc2 207a_100000750458_100015611070 [0,2,0,0,0,0|2,0,0]=4 12535 B17R2.193 Brc1cc(ccc1I)NCc2ccccc2 270302a_100000750458_100015611070 [0,2,0,0,0,0|2,0,0]=4 12536 B17R2.193 Brc1cc(ccc1I)NCc2ccccc2 34a_100000750458_100015291786 [0,2,0,0,0,0|2,0,0]=4 12537 B17R2.193 Brc1cc(ccc1I)OCc2ccccc2 34a_100000701344_100015291786 [0,2,0,0,0,0|1,1,0]=4 12538 B17R2.193 Brc1cc(ccc1I)OCc2ccccc2 7a_100000701344_100000211182 [0,2,0,0,0,0|1,1,0]=4 12539 B17R2.193 Brc1ccc(cc1Br)C#Cc2ccccc2 271570a_100000069678_100012356285 [0,2,0,0,0,0|2,0,0]=4 12540 B17R2.193 Brc1ccc(cc1Br)C=Cc2ccccc2 271570a_100102527694_100012356285 [0,2,0,0,0,0|2,0,0]=4 12541 B17R2.193 Brc1ccc(cc1Br)CNc2ccccc2 207a_100000106764_100011215943 [0,2,0,0,0,0|2,0,0]=4 12542 B17R2.193 Brc1ccc(cc1Br)CNc2ccccc2 270302a_100000106764_100011215943 [0,2,0,0,0,0|2,0,0]=4 12543 B17R2.193 Brc1ccc(cc1Br)CNc2ccccc2 34a_100000106764_100012353900 [0,2,0,0,0,0|2,0,0]=4 12544 B17R2.193 Brc1ccc(cc1Br)COc2ccccc2 34a_100000210340_100012353900 [0,2,0,0,0,0|1,1,0]=4 12545 B17R2.193 Brc1ccc(cc1Br)COc2ccccc2 7a_100000210340_100012353900 [0,2,0,0,0,0|1,1,0]=4 12546 B17R2.193 Brc1ccc(cc1Br)CSc2ccccc2 62a_100000719477_100012353900 [0,2,0,0,0,0|1,0,0]=3 12547 B17R2.193 Brc1ccc(cc1Br)CSc2ccccc2 62a_100012353900_100000041952 [0,2,0,0,0,0|1,0,0]=3 12548 B17R2.193 Brc1ccc(cc1Br)CSc2ccccn2 62a_100011216584_100012353900 [0,2,0,0,0,0|2,0,0]=4 12549 B17R2.193 Brc1ccc(cc1Br)CSc2ccccn2 62a_100012353900_100011216584 [0,2,0,0,0,0|2,0,0]=4 12550 B17R2.193 Brc1ccc(cc1Br)CSc2cccnc2 62a_100000210063_100012353900 [0,2,0,0,0,0|2,0,0]=4 12551 B17R2.193 Brc1ccc(cc1Br)CSc2cccnc2 62a_100012353900_100000210063 [0,2,0,0,0,0|2,0,0]=4 12552 B17R2.193 Brc1ccc(cc1Br)CSc2ccncc2 62a_100000728582_100012353900 [0,2,0,0,0,0|2,0,0]=4 12553 B17R2.193 Brc1ccc(cc1Br)CSc2ccncc2 62a_100012353900_100000728582 [0,2,0,0,0,0|2,0,0]=4 12554 B17R2.193 Brc1ccc(cc1Br)NCc2ccccc2 207a_100011306057_100015611070 [0,2,0,0,0,0|2,0,0]=4 12555 B17R2.193 Brc1ccc(cc1Br)NCc2ccccc2 2230a_100011306057_100015291786 [0,2,0,0,0,0|2,0,0]=4 12556 B17R2.193 Brc1ccc(cc1Br)NCc2ccccc2 270302a_100011306057_100015611070 [0,2,0,0,0,0|2,0,0]=4 12557 B17R2.193 Brc1ccc(cc1Br)NCc2ccccc2 34a_100011306057_100015291786 [0,2,0,0,0,0|2,0,0]=4 12558 B17R2.193 Brc1ccc(cc1Br)NCc2ccccc2 7a_100011306057_100000211182 [0,2,0,0,0,0|2,0,0]=4 12559 B17R2.193 Brc1ccc(cc1Br)SCc2ccccc2 62a_100000211182_100012356285 [0,2,0,0,0,0|1,0,0]=3 12560 B17R2.193 Brc1ccc(cc1Br)SCc2ccccc2 62a_100012356285_100015291786 [0,2,0,0,0,0|1,0,0]=3 12561 B17R2.193 Brc1ccc(cc1Br)SCc2ccccn2 62a_100000721315_100012356285 [0,2,0,0,0,0|2,0,0]=4 12562 B17R2.193 Brc1ccc(cc1Br)SCc2ccccn2 62a_100012356285_100000721315 [0,2,0,0,0,0|2,0,0]=4 12563 B17R2.193 Brc1ccc(cc1Br)SCc2cccnc2 62a_100000741622_100012356285 [0,2,0,0,0,0|2,0,0]=4 12564 B17R2.193 Brc1ccc(cc1Br)SCc2cccnc2 62a_100012356285_100000741622 [0,2,0,0,0,0|2,0,0]=4 12565 B17R2.193 Brc1ccc(cc1Br)SCc2ccncc2 62a_100012356285_100015193705 [0,2,0,0,0,0|2,0,0]=4 12566 B17R2.193 Brc1ccc(cc1Br)SCc2ccncc2 62a_100015193705_100012356285 [0,2,0,0,0,0|2,0,0]=4 12567 B17R2.193 Brc1ccc(cc1I)CNc2ccccc2 207a_100000106764_100010146563 [0,2,0,0,0,0|2,0,0]=4 12568 B17R2.193 Brc1ccc(cc1I)CNc2ccccc2 34a_100000106764_100010146616 [0,2,0,0,0,0|2,0,0]=4 12569 B17R2.193 Brc1ccc(cc1I)COc2ccccc2 34a_100000210340_100010146616 [0,2,0,0,0,0|1,1,0]=4 12570 B17R2.193 Brc1ccc(cc1I)COc2ccccc2 7a_100000210340_100010146616 [0,2,0,0,0,0|1,1,0]=4 12571 B17R2.193 Brc1ccc(cc1I)CSc2ccccc2 62a_100000719477_100010146616 [0,2,0,0,0,0|1,0,0]=3 12572 B17R2.193 Brc1ccc(cc1I)CSc2ccccc2 62a_100010146616_100000041952 [0,2,0,0,0,0|1,0,0]=3 12573 B17R2.193 Brc1ccc(cc1I)CSc2ccccn2 62a_100010146616_100011216584 [0,2,0,0,0,0|2,0,0]=4 12574 B17R2.193 Brc1ccc(cc1I)CSc2ccccn2 62a_100011216584_100010146616 [0,2,0,0,0,0|2,0,0]=4 12575 B17R2.193 Brc1ccc(cc1I)CSc2cccnc2 62a_100000210063_100010146616 [0,2,0,0,0,0|2,0,0]=4 12576 B17R2.193 Brc1ccc(cc1I)CSc2cccnc2 62a_100010146616_100000210063 [0,2,0,0,0,0|2,0,0]=4 12577 B17R2.193 Brc1ccc(cc1I)CSc2ccncc2 62a_100000728582_100010146616 [0,2,0,0,0,0|2,0,0]=4 12578 B17R2.193 Brc1ccc(cc1I)CSc2ccncc2 62a_100010146616_100000728582 [0,2,0,0,0,0|2,0,0]=4 12579 B17R2.193 Brc1ccc(cc1I)NCc2ccccc2 207a_100000750459_100015611070 [0,2,0,0,0,0|2,0,0]=4 12580 B17R2.193 Brc1ccc(cc1I)NCc2ccccc2 270302a_100000750459_100015611070 [0,2,0,0,0,0|2,0,0]=4 12581 B17R2.193 Brc1ccc(cc1I)NCc2ccccc2 34a_100000750459_100015291786 [0,2,0,0,0,0|2,0,0]=4 12582 B17R2.193 Brc1ccc(cc1I)OCc2ccccc2 34a_100012339312_100015291786 [0,2,0,0,0,0|1,1,0]=4 12583 B17R2.193 Brc1ccc(cc1I)OCc2ccccc2 7a_100012339312_100000211182 [0,2,0,0,0,0|1,1,0]=4 12584 B17R2.193 Cc1cc(ccc1Br)C#Cc2ccccc2 271570a_100000069678_100009813585 [0,2,0,0,0,0|2,0,0]=4 12585 B17R2.193 Cc1cc(ccc1Br)C=Cc2ccccc2 271570a_100102527694_100009813585 [0,2,0,0,0,0|2,0,0]=4 12586 B17R2.193 Cc1cc(ccc1Br)CNc2ccccc2 207a_100000106764_100000765772 [0,2,0,0,0,0|2,0,0]=4 12587 B17R2.193 Cc1cc(ccc1Br)CNc2ccccc2 270302a_100000106764_100000765772 [0,2,0,0,0,0|2,0,0]=4 12588 B17R2.193 Cc1cc(ccc1Br)CNc2ccccc2 34a_100000106764_100000727479 [0,2,0,0,0,0|2,0,0]=4 12589 B17R2.193 Cc1cc(ccc1Br)COc2ccccc2 34a_100000210340_100000727479 [0,2,0,0,0,0|1,1,0]=4 12590 B17R2.193 Cc1cc(ccc1Br)COc2ccccc2 7a_100000210340_100000727479 [0,2,0,0,0,0|1,1,0]=4 12591 B17R2.193 Cc1cc(ccc1Br)CSc2ccccc2 62a_100000719477_100000727479 [0,2,0,0,0,0|1,0,0]=3 12592 B17R2.193 Cc1cc(ccc1Br)CSc2ccccc2 62a_100000727479_100000041952 [0,2,0,0,0,0|1,0,0]=3 12593 B17R2.193 Cc1cc(ccc1Br)CSc2ccccn2 62a_100000727479_100011216584 [0,2,0,0,0,0|2,0,0]=4 12594 B17R2.193 Cc1cc(ccc1Br)CSc2ccccn2 62a_100011216584_100000727479 [0,2,0,0,0,0|2,0,0]=4 12595 B17R2.193 Cc1cc(ccc1Br)CSc2cccnc2 62a_100000210063_100000727479 [0,2,0,0,0,0|2,0,0]=4 12596 B17R2.193 Cc1cc(ccc1Br)CSc2cccnc2 62a_100000727479_100000210063 [0,2,0,0,0,0|2,0,0]=4 12597 B17R2.193 Cc1cc(ccc1Br)CSc2ccncc2 62a_100000727479_100000728582 [0,2,0,0,0,0|2,0,0]=4 12598 B17R2.193 Cc1cc(ccc1Br)CSc2ccncc2 62a_100000728582_100000727479 [0,2,0,0,0,0|2,0,0]=4 12599 B17R2.193 Cc1cc(ccc1Br)NCc2ccccc2 207a_100000210723_100015611070 [0,2,0,0,0,0|2,0,0]=4 12600 B17R2.193 Cc1cc(ccc1Br)NCc2ccccc2 2230a_100000210723_100015291786 [0,2,0,0,0,0|2,0,0]=4 12601 B17R2.193 Cc1cc(ccc1Br)NCc2ccccc2 270302a_100000210723_100015611070 [0,2,0,0,0,0|2,0,0]=4 12602 B17R2.193 Cc1cc(ccc1Br)NCc2ccccc2 34a_100000210723_100015291786 [0,2,0,0,0,0|2,0,0]=4 12603 B17R2.193 Cc1cc(ccc1Br)NCc2ccccc2 7a_100000210723_100000211182 [0,2,0,0,0,0|2,0,0]=4 12604 B17R2.193 Cc1cc(ccc1Br)OCc2ccccc2 34a_100000690111_100015291786 [0,2,0,0,0,0|1,1,0]=4 12605 B17R2.193 Cc1cc(ccc1Br)OCc2ccccc2 7a_100000690111_100000211182 [0,2,0,0,0,0|1,1,0]=4 12606 B17R2.193 Cc1cc(ccc1Br)SCc2ccccc2 62a_100000211182_100009813585 [0,2,0,0,0,0|1,0,0]=3 12607 B17R2.193 Cc1cc(ccc1Br)SCc2ccccc2 62a_100009813585_100015291786 [0,2,0,0,0,0|1,0,0]=3 12608 B17R2.193 Cc1cc(ccc1Br)SCc2ccccn2 62a_100000721315_100009813585 [0,2,0,0,0,0|2,0,0]=4 12609 B17R2.193 Cc1cc(ccc1Br)SCc2ccccn2 62a_100009813585_100000721315 [0,2,0,0,0,0|2,0,0]=4 12610 B17R2.193 Cc1cc(ccc1Br)SCc2cccnc2 62a_100000741622_100009813585 [0,2,0,0,0,0|2,0,0]=4 12611 B17R2.193 Cc1cc(ccc1Br)SCc2cccnc2 62a_100009813585_100000741622 [0,2,0,0,0,0|2,0,0]=4 12612 B17R2.193 Cc1cc(ccc1Br)SCc2ccncc2 62a_100009813585_100015193705 [0,2,0,0,0,0|2,0,0]=4 12613 B17R2.193 Cc1cc(ccc1Br)SCc2ccncc2 62a_100015193705_100009813585 [0,2,0,0,0,0|2,0,0]=4 12614 B17R2.193 Cc1cc(ccc1Cl)C#Cc2ccccc2 271570a_100000069678_100000049509 [0,2,0,0,0,0|2,0,0]=4 12615 B17R2.193 Cc1cc(ccc1Cl)C=Cc2ccccc2 271570a_100102527694_100000049509 [0,2,0,0,0,0|2,0,0]=4 12616 B17R2.193 Cc1cc(ccc1Cl)CNc2ccccc2 207a_100000106764_100000698814 [0,2,0,0,0,0|2,0,0]=4 12617 B17R2.193 Cc1cc(ccc1Cl)CNc2ccccc2 270302a_100000106764_100000698814 [0,2,0,0,0,0|2,0,0]=4 12618 B17R2.193 Cc1cc(ccc1Cl)CNc2ccccc2 34a_100000106764_100012184735 [0,2,0,0,0,0|2,0,0]=4 12619 B17R2.193 Cc1cc(ccc1Cl)COc2ccccc2 34a_100000210340_100012184735 [0,2,0,0,0,0|1,1,0]=4 12620 B17R2.193 Cc1cc(ccc1Cl)COc2ccccc2 7a_100000210340_100012184735 [0,2,0,0,0,0|1,1,0]=4 12621 B17R2.193 Cc1cc(ccc1Cl)CSc2ccccc2 62a_100000719477_100012184735 [0,2,0,0,0,0|1,0,0]=3 12622 B17R2.193 Cc1cc(ccc1Cl)CSc2ccccc2 62a_100012184735_100000041952 [0,2,0,0,0,0|1,0,0]=3 12623 B17R2.193 Cc1cc(ccc1Cl)CSc2ccccn2 62a_100011216584_100012184735 [0,2,0,0,0,0|2,0,0]=4 12624 B17R2.193 Cc1cc(ccc1Cl)CSc2ccccn2 62a_100012184735_100011216584 [0,2,0,0,0,0|2,0,0]=4 12625 B17R2.193 Cc1cc(ccc1Cl)CSc2cccnc2 62a_100000210063_100012184735 [0,2,0,0,0,0|2,0,0]=4 12626 B17R2.193 Cc1cc(ccc1Cl)CSc2cccnc2 62a_100012184735_100000210063 [0,2,0,0,0,0|2,0,0]=4 12627 B17R2.193 Cc1cc(ccc1Cl)CSc2ccncc2 62a_100000728582_100012184735 [0,2,0,0,0,0|2,0,0]=4 12628 B17R2.193 Cc1cc(ccc1Cl)CSc2ccncc2 62a_100012184735_100000728582 [0,2,0,0,0,0|2,0,0]=4 12629 B17R2.193 Cc1cc(ccc1Cl)NCc2ccccc2 207a_100000187808_100015611070 [0,2,0,0,0,0|2,0,0]=4 12630 B17R2.193 Cc1cc(ccc1Cl)NCc2ccccc2 2230a_100000187808_100015291786 [0,2,0,0,0,0|2,0,0]=4 12631 B17R2.193 Cc1cc(ccc1Cl)NCc2ccccc2 270302a_100000187808_100015611070 [0,2,0,0,0,0|2,0,0]=4 12632 B17R2.193 Cc1cc(ccc1Cl)NCc2ccccc2 34a_100000187808_100015291786 [0,2,0,0,0,0|2,0,0]=4 12633 B17R2.193 Cc1cc(ccc1Cl)NCc2ccccc2 7a_100000187808_100000211182 [0,2,0,0,0,0|2,0,0]=4 12634 B17R2.193 Cc1cc(ccc1Cl)OCc2ccccc2 34a_100000211092_100015291786 [0,2,0,0,0,0|1,1,0]=4 12635 B17R2.193 Cc1cc(ccc1Cl)OCc2ccccc2 7a_100000211092_100000211182 [0,2,0,0,0,0|1,1,0]=4 12636 B17R2.193 Cc1cc(ccc1Cl)SCc2ccccc2 62a_100000049509_100015291786 [0,2,0,0,0,0|1,0,0]=3 12637 B17R2.193 Cc1cc(ccc1Cl)SCc2ccccc2 62a_100000211182_100000049509 [0,2,0,0,0,0|1,0,0]=3 12638 B17R2.193 Cc1cc(ccc1Cl)SCc2ccccn2 62a_100000049509_100000721315 [0,2,0,0,0,0|2,0,0]=4 12639 B17R2.193 Cc1cc(ccc1Cl)SCc2ccccn2 62a_100000721315_100000049509 [0,2,0,0,0,0|2,0,0]=4 12640 B17R2.193 Cc1cc(ccc1Cl)SCc2cccnc2 62a_100000049509_100000741622 [0,2,0,0,0,0|2,0,0]=4 12641 B17R2.193 Cc1cc(ccc1Cl)SCc2cccnc2 62a_100000741622_100000049509 [0,2,0,0,0,0|2,0,0]=4 12642 B17R2.193 Cc1cc(ccc1Cl)SCc2ccncc2 62a_100000049509_100015193705 [0,2,0,0,0,0|2,0,0]=4 12643 B17R2.193 Cc1cc(ccc1Cl)SCc2ccncc2 62a_100015193705_100000049509 [0,2,0,0,0,0|2,0,0]=4 12644 B17R2.193 Cc1cc(ccc1F)C#Cc2ccccc2 271570a_100000069678_100011218330 [0,2,0,0,0,0|2,0,0]=4 12645 B17R2.193 Cc1cc(ccc1F)C=Cc2ccccc2 271570a_100102527694_100011218330 [0,2,0,0,0,0|2,0,0]=4 12646 B17R2.193 Cc1cc(ccc1F)CNc2ccccc2 207a_100000106764_100000748208 [0,2,0,0,0,0|2,0,0]=4 12647 B17R2.193 Cc1cc(ccc1F)CNc2ccccc2 270302a_100000106764_100000748208 [0,2,0,0,0,0|2,0,0]=4 12648 B17R2.193 Cc1cc(ccc1F)CNc2ccccc2 34a_100000106764_100011216667 [0,2,0,0,0,0|2,0,0]=4 12649 B17R2.193 Cc1cc(ccc1F)COc2ccccc2 34a_100000210340_100011216667 [0,2,0,0,0,0|1,1,0]=4 12650 B17R2.193 Cc1cc(ccc1F)COc2ccccc2 7a_100000210340_100011216667 [0,2,0,0,0,0|1,1,0]=4 12651 B17R2.193 Cc1cc(ccc1F)CSc2ccccc2 62a_100000719477_100011216667 [0,2,0,0,0,0|1,0,0]=3 12652 B17R2.193 Cc1cc(ccc1F)CSc2ccccc2 62a_100011216667_100000041952 [0,2,0,0,0,0|1,0,0]=3 12653 B17R2.193 Cc1cc(ccc1F)CSc2ccccn2 62a_100011216584_100011216667 [0,2,0,0,0,0|2,0,0]=4 12654 B17R2.193 Cc1cc(ccc1F)CSc2ccccn2 62a_100011216667_100011216584 [0,2,0,0,0,0|2,0,0]=4 12655 B17R2.193 Cc1cc(ccc1F)CSc2cccnc2 62a_100000210063_100011216667 [0,2,0,0,0,0|2,0,0]=4 12656 B17R2.193 Cc1cc(ccc1F)CSc2cccnc2 62a_100011216667_100000210063 [0,2,0,0,0,0|2,0,0]=4 12657 B17R2.193 Cc1cc(ccc1F)CSc2ccncc2 62a_100000728582_100011216667 [0,2,0,0,0,0|2,0,0]=4 12658 B17R2.193 Cc1cc(ccc1F)CSc2ccncc2 62a_100011216667_100000728582 [0,2,0,0,0,0|2,0,0]=4 12659 B17R2.193 Cc1cc(ccc1F)NCc2ccccc2 207a_100000750164_100015611070 [0,2,0,0,0,0|2,0,0]=4 12660 B17R2.193 Cc1cc(ccc1F)NCc2ccccc2 2230a_100000750164_100015291786 [0,2,0,0,0,0|2,0,0]=4 12661 B17R2.193 Cc1cc(ccc1F)NCc2ccccc2 270302a_100000750164_100015611070 [0,2,0,0,0,0|2,0,0]=4 12662 B17R2.193 Cc1cc(ccc1F)NCc2ccccc2 34a_100000750164_100015291786 [0,2,0,0,0,0|2,0,0]=4 12663 B17R2.193 Cc1cc(ccc1F)NCc2ccccc2 7a_100000750164_100000211182 [0,2,0,0,0,0|2,0,0]=4 12664 B17R2.193 Cc1cc(ccc1F)OCc2ccccc2 34a_100000751312_100015291786 [0,2,0,0,0,0|1,1,0]=4 12665 B17R2.193 Cc1cc(ccc1F)OCc2ccccc2 7a_100000751312_100000211182 [0,2,0,0,0,0|1,1,0]=4 12666 B17R2.193 Cc1cc(ccc1F)SCc2ccccc2 62a_100000211182_100011218330 [0,2,0,0,0,0|1,0,0]=3 12667 B17R2.193 Cc1cc(ccc1F)SCc2ccccc2 62a_100011218330_100015291786 [0,2,0,0,0,0|1,0,0]=3 12668 B17R2.193 Cc1cc(ccc1F)SCc2ccccn2 62a_100000721315_100011218330 [0,2,0,0,0,0|2,0,0]=4 12669 B17R2.193 Cc1cc(ccc1F)SCc2ccccn2 62a_100011218330_100000721315 [0,2,0,0,0,0|2,0,0]=4 12670 B17R2.193 Cc1cc(ccc1F)SCc2cccnc2 62a_100000741622_100011218330 [0,2,0,0,0,0|2,0,0]=4 12671 B17R2.193 Cc1cc(ccc1F)SCc2cccnc2 62a_100011218330_100000741622 [0,2,0,0,0,0|2,0,0]=4 12672 B17R2.193 Cc1cc(ccc1F)SCc2ccncc2 62a_100011218330_100015193705 [0,2,0,0,0,0|2,0,0]=4 12673 B17R2.193 Cc1cc(ccc1F)SCc2ccncc2 62a_100015193705_100011218330 [0,2,0,0,0,0|2,0,0]=4 12674 B17R2.193 Cc1cc(ccc1I)NCc2ccccc2 207a_100000198070_100015611070 [0,2,0,0,0,0|2,0,0]=4 12675 B17R2.193 Cc1cc(ccc1I)NCc2ccccc2 270302a_100000198070_100015611070 [0,2,0,0,0,0|2,0,0]=4 12676 B17R2.193 Cc1cc(ccc1I)NCc2ccccc2 34a_100000198070_100015291786 [0,2,0,0,0,0|2,0,0]=4 12677 B17R2.193 Cc1cc(ccc1I)NCc2ccccc2 7a_100000198070_100000211182 [0,2,0,0,0,0|2,0,0]=4 12678 B17R2.193 Cc1cc(ccc1I)OCc2ccccc2 34a_100000729255_100015291786 [0,2,0,0,0,0|1,1,0]=4 12679 B17R2.193 Cc1cc(ccc1I)OCc2ccccc2 7a_100000729255_100000211182 [0,2,0,0,0,0|1,1,0]=4 12680 B17R2.193 Cc1cc(ccc1N)C#Cc2ccccc2 271570a_100000069678_100000211769 [0,2,0,0,0,0|2,0,0]=4 12681 B17R2.193 Cc1cc(ccc1N)C=Cc2ccccc2 271570a_100102527694_100000211769 [0,2,0,0,0,0|2,0,0]=4 12682 B17R2.193 Cc1cc(ccc1N)OCc2ccccc2 34a_100000756630_100015291786 [0,2,0,0,0,0|1,1,0]=4 12683 B17R2.193 Cc1cc(ccc1N)OCc2ccccc2 7a_100000756630_100000211182 [0,2,0,0,0,0|1,1,0]=4 12684 B17R2.193 Cc1cc(ccc1N)SCc2ccccc2 62a_100000211182_100000211769 [0,2,0,0,0,0|1,0,0]=3 12685 B17R2.193 Cc1cc(ccc1N)SCc2ccccc2 62a_100000211769_100015291786 [0,2,0,0,0,0|1,0,0]=3 12686 B17R2.193 Cc1cc(ccc1N)SCc2ccccn2 62a_100000211769_100000721315 [0,2,0,0,0,0|2,0,0]=4 12687 B17R2.193 Cc1cc(ccc1N)SCc2ccccn2 62a_100000721315_100000211769 [0,2,0,0,0,0|2,0,0]=4 12688 B17R2.193 Cc1cc(ccc1N)SCc2cccnc2 62a_100000211769_100000741622 [0,2,0,0,0,0|2,0,0]=4 12689 B17R2.193 Cc1cc(ccc1N)SCc2cccnc2 62a_100000741622_100000211769 [0,2,0,0,0,0|2,0,0]=4 12690 B17R2.193 Cc1cc(ccc1N)SCc2ccncc2 62a_100000211769_100015193705 [0,2,0,0,0,0|2,0,0]=4 12691 B17R2.193 Cc1cc(ccc1N)SCc2ccncc2 62a_100015193705_100000211769 [0,2,0,0,0,0|2,0,0]=4 12692 B17R2.193 Cc1cc(ccc1O)C#Cc2ccccc2 271570a_100000069678_100000186361 [0,2,0,0,0,0|2,0,0]=4 12693 B17R2.193 Cc1cc(ccc1O)C=Cc2ccccc2 271570a_100102527694_100000186361 [0,2,0,0,0,0|2,0,0]=4 12694 B17R2.193 Cc1cc(ccc1O)CNc2ccccc2 270302a_100000106764_100011215669 [0,2,0,0,0,0|2,0,0]=4 12695 B17R2.193 Cc1cc(ccc1O)NCc2ccccc2 270302a_100011218179_100015611070 [0,2,0,0,0,0|2,0,0]=4 12696 B17R2.193 Cc1cc(ccc1O)NCc2ccccc2 34a_100011218179_100015291786 [0,2,0,0,0,0|2,0,0]=4 12697 B17R2.193 Cc1cc(ccc1O)NCc2ccccc2 7a_100011218179_100000211182 [0,2,0,0,0,0|2,0,0]=4 12698 B17R2.193 Cc1cc(ccc1O)OCc2ccccc2 271570a_203496583355_200012047214 [0,2,0,0,0,0|1,1,0]=4 12699 B17R2.193 Cc1cc(ccc1O)SCc2ccccc2 62a_100000211182_100000186361 [0,2,0,0,0,0|1,0,0]=3 12700 B17R2.193 Cc1cc(ccc1O)SCc2ccccn2 62a_100000721315_100000186361 [0,2,0,0,0,0|2,0,0]=4 12701 B17R2.193 Cc1cc(ccc1O)SCc2cccnc2 62a_100000741622_100000186361 [0,2,0,0,0,0|2,0,0]=4 12702 B17R2.193 Cc1cc(ccc1O)SCc2ccncc2 62a_100015193705_100000186361 [0,2,0,0,0,0|2,0,0]=4 12703 B17R2.193 Cc1cc(cnc1Br)SCc2ccccc2 62a_100000211182_100009816107 [0,2,0,0,0,0|2,0,0]=4 12704 B17R2.193 Cc1cc(cnc1Br)SCc2ccccc2 62a_100009816107_100015291786 [0,2,0,0,0,0|2,0,0]=4 12705 B17R2.193 Cc1cc(cnc1C)SCc2ccccc2 62a_100000211182_100000697892 [0,2,0,0,0,0|2,0,0]=4 12706 B17R2.193 Cc1cc(cnc1C)SCc2ccccc2 62a_100000697892_100015291786 [0,2,0,0,0,0|2,0,0]=4 12707 B17R2.193 Cc1cc(cnc1Cl)SCc2ccccc2 62a_100000211182_100009922867 [0,2,0,0,0,0|2,0,0]=4 12708 B17R2.193 Cc1cc(cnc1Cl)SCc2ccccc2 62a_100009922867_100015291786 [0,2,0,0,0,0|2,0,0]=4 12709 B17R2.193 Cc1cc(cnc1F)SCc2ccccc2 62a_100000211182_100000709442 [0,2,0,0,0,0|2,0,0]=4 12710 B17R2.193 Cc1cc(cnc1F)SCc2ccccc2 62a_100000709442_100015291786 [0,2,0,0,0,0|2,0,0]=4 12711 B17R2.193 Cc1cc(cnc1N)SCc2ccccc2 62a_100000211182_100000684428 [0,2,0,0,0,0|2,0,0]=4 12712 B17R2.193 Cc1cc(cnc1N)SCc2ccccc2 62a_100000684428_100015291786 [0,2,0,0,0,0|2,0,0]=4 12713 B17R2.193 Cc1cc(cnc1O)SCc2ccccc2 62a_100000211182_100000685391 [0,2,0,0,0,0|2,0,0]=4 12714 B17R2.193 Cc1cc(cnc1O)SCc2ccccc2 62a_100000685391_100015291786 [0,2,0,0,0,0|2,0,0]=4 12715 B17R2.193 Cc1cc(ncc1Br)SCc2ccccc2 62a_100000211182_100012356354 [0,2,0,0,0,0|2,0,0]=4 12716 B17R2.193 Cc1cc(ncc1Br)SCc2ccccc2 62a_100012356354_100015291786 [0,2,0,0,0,0|2,0,0]=4 12717 B17R2.193 Cc1cc(ncc1F)SCc2ccccc2 62a_100000211182_100009818257 [0,2,0,0,0,0|2,0,0]=4 12718 B17R2.193 Cc1cc(ncc1F)SCc2ccccc2 62a_100009818257_100015291786 [0,2,0,0,0,0|2,0,0]=4 12719 B17R2.193 Cc1cc(ncc1N)SCc2ccccc2 62a_100000067204_100015291786 [0,2,0,0,0,0|2,0,0]=4 12720 B17R2.193 Cc1cc(ncc1N)SCc2ccccc2 62a_100000211182_100000067204 [0,2,0,0,0,0|2,0,0]=4 12721 B17R2.193 Cc1cc(ncc1O)SCc2ccccc2 62a_100000211182_100000692680 [0,2,0,0,0,0|2,0,0]=4 12722 B17R2.193 Cc1ccc(c[n+]1[O-])SCc2ccccc2 62a_100000211182_100000703231 [0,2,0,0,0,0|2,0,0]=4 12723 B17R2.193 Cc1ccc(cc1Br)C#Cc2ccccc2 271570a_100000069678_100011847877 [0,2,0,0,0,0|2,0,0]=4 12724 B17R2.193 Cc1ccc(cc1Br)C=Cc2ccccc2 271570a_100102527694_100011847877 [0,2,0,0,0,0|2,0,0]=4 12725 B17R2.193 Cc1ccc(cc1Br)CNc2ccccc2 207a_100000106764_100000695567 [0,2,0,0,0,0|2,0,0]=4 12726 B17R2.193 Cc1ccc(cc1Br)CNc2ccccc2 270302a_100000106764_100000695567 [0,2,0,0,0,0|2,0,0]=4 12727 B17R2.193 Cc1ccc(cc1Br)CNc2ccccc2 34a_100000106764_100012232412 [0,2,0,0,0,0|2,0,0]=4 12728 B17R2.193 Cc1ccc(cc1Br)COc2ccccc2 34a_100000210340_100012232412 [0,2,0,0,0,0|1,1,0]=4 12729 B17R2.193 Cc1ccc(cc1Br)COc2ccccc2 7a_100000210340_100012232412 [0,2,0,0,0,0|1,1,0]=4 12730 B17R2.193 Cc1ccc(cc1Br)CSc2ccccc2 62a_100000719477_100012232412 [0,2,0,0,0,0|1,0,0]=3 12731 B17R2.193 Cc1ccc(cc1Br)CSc2ccccc2 62a_100012232412_100000041952 [0,2,0,0,0,0|1,0,0]=3 12732 B17R2.193 Cc1ccc(cc1Br)CSc2ccccn2 62a_100011216584_100012232412 [0,2,0,0,0,0|2,0,0]=4 12733 B17R2.193 Cc1ccc(cc1Br)CSc2ccccn2 62a_100012232412_100011216584 [0,2,0,0,0,0|2,0,0]=4 12734 B17R2.193 Cc1ccc(cc1Br)CSc2cccnc2 62a_100000210063_100012232412 [0,2,0,0,0,0|2,0,0]=4 12735 B17R2.193 Cc1ccc(cc1Br)CSc2cccnc2 62a_100012232412_100000210063 [0,2,0,0,0,0|2,0,0]=4 12736 B17R2.193 Cc1ccc(cc1Br)CSc2ccncc2 62a_100000728582_100012232412 [0,2,0,0,0,0|2,0,0]=4 12737 B17R2.193 Cc1ccc(cc1Br)CSc2ccncc2 62a_100012232412_100000728582 [0,2,0,0,0,0|2,0,0]=4 12738 B17R2.193 Cc1ccc(cc1Br)NCc2ccccc2 207a_100000736455_100015611070 [0,2,0,0,0,0|2,0,0]=4 12739 B17R2.193 Cc1ccc(cc1Br)NCc2ccccc2 2230a_100000736455_100015291786 [0,2,0,0,0,0|2,0,0]=4 12740 B17R2.193 Cc1ccc(cc1Br)NCc2ccccc2 270302a_100000736455_100015611070 [0,2,0,0,0,0|2,0,0]=4 12741 B17R2.193 Cc1ccc(cc1Br)NCc2ccccc2 34a_100000736455_100015291786 [0,2,0,0,0,0|2,0,0]=4 12742 B17R2.193 Cc1ccc(cc1Br)NCc2ccccc2 7a_100000736455_100000211182 [0,2,0,0,0,0|2,0,0]=4 12743 B17R2.193 Cc1ccc(cc1Br)OCc2ccccc2 34a_100011380479_100015291786 [0,2,0,0,0,0|1,1,0]=4 12744 B17R2.193 Cc1ccc(cc1Br)OCc2ccccc2 7a_100011380479_100000211182 [0,2,0,0,0,0|1,1,0]=4 12745 B17R2.193 Cc1ccc(cc1Br)SCc2ccccc2 62a_100000211182_100011847877 [0,2,0,0,0,0|1,0,0]=3 12746 B17R2.193 Cc1ccc(cc1Br)SCc2ccccc2 62a_100011847877_100015291786 [0,2,0,0,0,0|1,0,0]=3 12747 B17R2.193 Cc1ccc(cc1Br)SCc2ccccn2 62a_100000721315_100011847877 [0,2,0,0,0,0|2,0,0]=4 12748 B17R2.193 Cc1ccc(cc1Br)SCc2ccccn2 62a_100011847877_100000721315 [0,2,0,0,0,0|2,0,0]=4 12749 B17R2.193 Cc1ccc(cc1Br)SCc2cccnc2 62a_100000741622_100011847877 [0,2,0,0,0,0|2,0,0]=4 12750 B17R2.193 Cc1ccc(cc1Br)SCc2cccnc2 62a_100011847877_100000741622 [0,2,0,0,0,0|2,0,0]=4 12751 B17R2.193 Cc1ccc(cc1Br)SCc2ccncc2 62a_100011847877_100015193705 [0,2,0,0,0,0|2,0,0]=4 12752 B17R2.193 Cc1ccc(cc1Br)SCc2ccncc2 62a_100015193705_100011847877 [0,2,0,0,0,0|2,0,0]=4 12753 B17R2.193 Cc1ccc(cc1C)C#Cc2ccccc2 271570a_100000069678_100011215607 [0,2,0,0,0,0|2,0,0]=4 12754 B17R2.193 Cc1ccc(cc1C)C=Cc2ccccc2 271570a_100102527694_100011215607 [0,2,0,0,0,0|2,0,0]=4 12755 B17R2.193 Cc1ccc(cc1C)CNc2ccccc2 207a_100000106764_100000229942 [0,2,0,0,0,0|2,0,0]=4 12756 B17R2.193 Cc1ccc(cc1C)CNc2ccccc2 270302a_100000106764_100000229942 [0,2,0,0,0,0|2,0,0]=4 12757 B17R2.193 Cc1ccc(cc1C)CNc2ccccc2 34a_100000106764_100000742320 [0,2,0,0,0,0|2,0,0]=4 12758 B17R2.193 Cc1ccc(cc1C)COc2ccccc2 34a_100000210340_100000742320 [0,2,0,0,0,0|1,1,0]=4 12759 B17R2.193 Cc1ccc(cc1C)COc2ccccc2 7a_100000210340_100000742320 [0,2,0,0,0,0|1,1,0]=4 12760 B17R2.193 Cc1ccc(cc1C)CSc2ccccc2 62a_100000719477_100000742320 [0,2,0,0,0,0|1,0,0]=3 12761 B17R2.193 Cc1ccc(cc1C)CSc2ccccc2 62a_100000742320_100000041952 [0,2,0,0,0,0|1,0,0]=3 12762 B17R2.193 Cc1ccc(cc1C)CSc2ccccn2 62a_100000742320_100011216584 [0,2,0,0,0,0|2,0,0]=4 12763 B17R2.193 Cc1ccc(cc1C)CSc2ccccn2 62a_100011216584_100000742320 [0,2,0,0,0,0|2,0,0]=4 12764 B17R2.193 Cc1ccc(cc1C)CSc2cccnc2 62a_100000210063_100000742320 [0,2,0,0,0,0|2,0,0]=4 12765 B17R2.193 Cc1ccc(cc1C)CSc2cccnc2 62a_100000742320_100000210063 [0,2,0,0,0,0|2,0,0]=4 12766 B17R2.193 Cc1ccc(cc1C)CSc2ccncc2 62a_100000728582_100000742320 [0,2,0,0,0,0|2,0,0]=4 12767 B17R2.193 Cc1ccc(cc1C)CSc2ccncc2 62a_100000742320_100000728582 [0,2,0,0,0,0|2,0,0]=4 12768 B17R2.193 Cc1ccc(cc1C)NCc2ccccc2 207a_100000724040_100015611070 [0,2,0,0,0,0|2,0,0]=4 12769 B17R2.193 Cc1ccc(cc1C)NCc2ccccc2 2230a_100000724040_100015291786 [0,2,0,0,0,0|2,0,0]=4 12770 B17R2.193 Cc1ccc(cc1C)NCc2ccccc2 270302a_100000724040_100015611070 [0,2,0,0,0,0|2,0,0]=4 12771 B17R2.193 Cc1ccc(cc1C)NCc2ccccc2 34a_100000724040_100015291786 [0,2,0,0,0,0|2,0,0]=4 12772 B17R2.193 Cc1ccc(cc1C)NCc2ccccc2 7a_100000724040_100000211182 [0,2,0,0,0,0|2,0,0]=4 12773 B17R2.193 Cc1ccc(cc1C)OCc2ccccc2 34a_100000210932_100015291786 [0,2,0,0,0,0|1,1,0]=4 12774 B17R2.193 Cc1ccc(cc1C)OCc2ccccc2 7a_100000210932_100000211182 [0,2,0,0,0,0|1,1,0]=4 12775 B17R2.193 Cc1ccc(cc1C)SCc2ccccc2 62a_100000211182_100011215607 [0,2,0,0,0,0|1,0,0]=3 12776 B17R2.193 Cc1ccc(cc1C)SCc2ccccc2 62a_100011215607_100015291786 [0,2,0,0,0,0|1,0,0]=3 12777 B17R2.193 Cc1ccc(cc1C)SCc2ccccn2 62a_100000721315_100011215607 [0,2,0,0,0,0|2,0,0]=4 12778 B17R2.193 Cc1ccc(cc1C)SCc2ccccn2 62a_100011215607_100000721315 [0,2,0,0,0,0|2,0,0]=4 12779 B17R2.193 Cc1ccc(cc1C)SCc2cccnc2 62a_100000741622_100011215607 [0,2,0,0,0,0|2,0,0]=4 12780 B17R2.193 Cc1ccc(cc1C)SCc2cccnc2 62a_100011215607_100000741622 [0,2,0,0,0,0|2,0,0]=4 12781 B17R2.193 Cc1ccc(cc1C)SCc2ccncc2 62a_100011215607_100015193705 [0,2,0,0,0,0|2,0,0]=4 12782 B17R2.193 Cc1ccc(cc1C)SCc2ccncc2 62a_100015193705_100011215607 [0,2,0,0,0,0|2,0,0]=4 12783 B17R2.193 Cc1ccc(cc1Cl)C#Cc2ccccc2 271570a_100000069678_100011216363 [0,2,0,0,0,0|2,0,0]=4 12784 B17R2.193 Cc1ccc(cc1Cl)C=Cc2ccccc2 271570a_100102527694_100011216363 [0,2,0,0,0,0|2,0,0]=4 12785 B17R2.193 Cc1ccc(cc1Cl)CNc2ccccc2 207a_100000106764_100000760539 [0,2,0,0,0,0|2,0,0]=4 12786 B17R2.193 Cc1ccc(cc1Cl)CNc2ccccc2 270302a_100000106764_100000760539 [0,2,0,0,0,0|2,0,0]=4 12787 B17R2.193 Cc1ccc(cc1Cl)CNc2ccccc2 34a_100000106764_100011823929 [0,2,0,0,0,0|2,0,0]=4 12788 B17R2.193 Cc1ccc(cc1Cl)COc2ccccc2 34a_100000210340_100011823929 [0,2,0,0,0,0|1,1,0]=4 12789 B17R2.193 Cc1ccc(cc1Cl)COc2ccccc2 7a_100000210340_100011823929 [0,2,0,0,0,0|1,1,0]=4 12790 B17R2.193 Cc1ccc(cc1Cl)CSc2ccccc2 62a_100000719477_100011823929 [0,2,0,0,0,0|1,0,0]=3 12791 B17R2.193 Cc1ccc(cc1Cl)CSc2ccccc2 62a_100011823929_100000041952 [0,2,0,0,0,0|1,0,0]=3 12792 B17R2.193 Cc1ccc(cc1Cl)CSc2ccccn2 62a_100011216584_100011823929 [0,2,0,0,0,0|2,0,0]=4 12793 B17R2.193 Cc1ccc(cc1Cl)CSc2ccccn2 62a_100011823929_100011216584 [0,2,0,0,0,0|2,0,0]=4 12794 B17R2.193 Cc1ccc(cc1Cl)CSc2cccnc2 62a_100000210063_100011823929 [0,2,0,0,0,0|2,0,0]=4 12795 B17R2.193 Cc1ccc(cc1Cl)CSc2cccnc2 62a_100011823929_100000210063 [0,2,0,0,0,0|2,0,0]=4 12796 B17R2.193 Cc1ccc(cc1Cl)CSc2ccncc2 62a_100000728582_100011823929 [0,2,0,0,0,0|2,0,0]=4 12797 B17R2.193 Cc1ccc(cc1Cl)CSc2ccncc2 62a_100011823929_100000728582 [0,2,0,0,0,0|2,0,0]=4 12798 B17R2.193 Cc1ccc(cc1Cl)NCc2ccccc2 207a_100000188892_100015611070 [0,2,0,0,0,0|2,0,0]=4 12799 B17R2.193 Cc1ccc(cc1Cl)NCc2ccccc2 2230a_100000188892_100015291786 [0,2,0,0,0,0|2,0,0]=4 12800 B17R2.193 Cc1ccc(cc1Cl)NCc2ccccc2 270302a_100000188892_100015611070 [0,2,0,0,0,0|2,0,0]=4 12801 B17R2.193 Cc1ccc(cc1Cl)NCc2ccccc2 34a_100000188892_100015291786 [0,2,0,0,0,0|2,0,0]=4 12802 B17R2.193 Cc1ccc(cc1Cl)NCc2ccccc2 7a_100000188892_100000211182 [0,2,0,0,0,0|2,0,0]=4 12803 B17R2.193 Cc1ccc(cc1Cl)OCc2ccccc2 34a_100011265682_100015291786 [0,2,0,0,0,0|1,1,0]=4 12804 B17R2.193 Cc1ccc(cc1Cl)OCc2ccccc2 7a_100011265682_100000211182 [0,2,0,0,0,0|1,1,0]=4 12805 B17R2.193 Cc1ccc(cc1Cl)SCc2ccccc2 62a_100000211182_100011216363 [0,2,0,0,0,0|1,0,0]=3 12806 B17R2.193 Cc1ccc(cc1Cl)SCc2ccccc2 62a_100011216363_100015291786 [0,2,0,0,0,0|1,0,0]=3 12807 B17R2.193 Cc1ccc(cc1Cl)SCc2ccccn2 62a_100000721315_100011216363 [0,2,0,0,0,0|2,0,0]=4 12808 B17R2.193 Cc1ccc(cc1Cl)SCc2ccccn2 62a_100011216363_100000721315 [0,2,0,0,0,0|2,0,0]=4 12809 B17R2.193 Cc1ccc(cc1Cl)SCc2cccnc2 62a_100000741622_100011216363 [0,2,0,0,0,0|2,0,0]=4 12810 B17R2.193 Cc1ccc(cc1Cl)SCc2cccnc2 62a_100011216363_100000741622 [0,2,0,0,0,0|2,0,0]=4 12811 B17R2.193 Cc1ccc(cc1Cl)SCc2ccncc2 62a_100011216363_100015193705 [0,2,0,0,0,0|2,0,0]=4 12812 B17R2.193 Cc1ccc(cc1Cl)SCc2ccncc2 62a_100015193705_100011216363 [0,2,0,0,0,0|2,0,0]=4 12813 B17R2.193 Cc1ccc(cc1F)C#Cc2ccccc2 271570a_100000069678_100000720648 [0,2,0,0,0,0|2,0,0]=4 12814 B17R2.193 Cc1ccc(cc1F)C=Cc2ccccc2 271570a_100102527694_100000720648 [0,2,0,0,0,0|2,0,0]=4 12815 B17R2.193 Cc1ccc(cc1F)CNc2ccccc2 207a_100000106764_100000753222 [0,2,0,0,0,0|2,0,0]=4 12816 B17R2.193 Cc1ccc(cc1F)CNc2ccccc2 270302a_100000106764_100000753222 [0,2,0,0,0,0|2,0,0]=4 12817 B17R2.193 Cc1ccc(cc1F)CNc2ccccc2 34a_100000106764_100011217369 [0,2,0,0,0,0|2,0,0]=4 12818 B17R2.193 Cc1ccc(cc1F)COc2ccccc2 34a_100000210340_100011217369 [0,2,0,0,0,0|1,1,0]=4 12819 B17R2.193 Cc1ccc(cc1F)COc2ccccc2 7a_100000210340_100011217369 [0,2,0,0,0,0|1,1,0]=4 12820 B17R2.193 Cc1ccc(cc1F)CSc2ccccc2 62a_100000719477_100011217369 [0,2,0,0,0,0|1,0,0]=3 12821 B17R2.193 Cc1ccc(cc1F)CSc2ccccc2 62a_100011217369_100000041952 [0,2,0,0,0,0|1,0,0]=3 12822 B17R2.193 Cc1ccc(cc1F)CSc2ccccn2 62a_100011216584_100011217369 [0,2,0,0,0,0|2,0,0]=4 12823 B17R2.193 Cc1ccc(cc1F)CSc2ccccn2 62a_100011217369_100011216584 [0,2,0,0,0,0|2,0,0]=4 12824 B17R2.193 Cc1ccc(cc1F)CSc2cccnc2 62a_100000210063_100011217369 [0,2,0,0,0,0|2,0,0]=4 12825 B17R2.193 Cc1ccc(cc1F)CSc2cccnc2 62a_100011217369_100000210063 [0,2,0,0,0,0|2,0,0]=4 12826 B17R2.193 Cc1ccc(cc1F)CSc2ccncc2 62a_100000728582_100011217369 [0,2,0,0,0,0|2,0,0]=4 12827 B17R2.193 Cc1ccc(cc1F)CSc2ccncc2 62a_100011217369_100000728582 [0,2,0,0,0,0|2,0,0]=4 12828 B17R2.193 Cc1ccc(cc1F)NCc2ccccc2 207a_100000210958_100015611070 [0,2,0,0,0,0|2,0,0]=4 12829 B17R2.193 Cc1ccc(cc1F)NCc2ccccc2 2230a_100000210958_100015291786 [0,2,0,0,0,0|2,0,0]=4 12830 B17R2.193 Cc1ccc(cc1F)NCc2ccccc2 270302a_100000210958_100015611070 [0,2,0,0,0,0|2,0,0]=4 12831 B17R2.193 Cc1ccc(cc1F)NCc2ccccc2 34a_100000210958_100015291786 [0,2,0,0,0,0|2,0,0]=4 12832 B17R2.193 Cc1ccc(cc1F)NCc2ccccc2 7a_100000210958_100000211182 [0,2,0,0,0,0|2,0,0]=4 12833 B17R2.193 Cc1ccc(cc1F)OCc2ccccc2 34a_100000722560_100015291786 [0,2,0,0,0,0|1,1,0]=4 12834 B17R2.193 Cc1ccc(cc1F)OCc2ccccc2 7a_100000722560_100000211182 [0,2,0,0,0,0|1,1,0]=4 12835 B17R2.193 Cc1ccc(cc1F)SCc2ccccc2 62a_100000211182_100000720648 [0,2,0,0,0,0|1,0,0]=3 12836 B17R2.193 Cc1ccc(cc1F)SCc2ccccc2 62a_100000720648_100015291786 [0,2,0,0,0,0|1,0,0]=3 12837 B17R2.193 Cc1ccc(cc1F)SCc2ccccn2 62a_100000720648_100000721315 [0,2,0,0,0,0|2,0,0]=4 12838 B17R2.193 Cc1ccc(cc1F)SCc2ccccn2 62a_100000721315_100000720648 [0,2,0,0,0,0|2,0,0]=4 12839 B17R2.193 Cc1ccc(cc1F)SCc2cccnc2 62a_100000720648_100000741622 [0,2,0,0,0,0|2,0,0]=4 12840 B17R2.193 Cc1ccc(cc1F)SCc2cccnc2 62a_100000741622_100000720648 [0,2,0,0,0,0|2,0,0]=4 12841 B17R2.193 Cc1ccc(cc1F)SCc2ccncc2 62a_100000720648_100015193705 [0,2,0,0,0,0|2,0,0]=4 12842 B17R2.193 Cc1ccc(cc1F)SCc2ccncc2 62a_100015193705_100000720648 [0,2,0,0,0,0|2,0,0]=4 12843 B17R2.193 Cc1ccc(cc1I)CNc2ccccc2 207a_100000106764_100010197721 [0,2,0,0,0,0|2,0,0]=4 12844 B17R2.193 Cc1ccc(cc1I)CNc2ccccc2 270302a_100000106764_100010197721 [0,2,0,0,0,0|2,0,0]=4 12845 B17R2.193 Cc1ccc(cc1I)CNc2ccccc2 34a_100000106764_100010206137 [0,2,0,0,0,0|2,0,0]=4 12846 B17R2.193 Cc1ccc(cc1I)COc2ccccc2 34a_100000210340_100010206137 [0,2,0,0,0,0|1,1,0]=4 12847 B17R2.193 Cc1ccc(cc1I)COc2ccccc2 7a_100000210340_100010206137 [0,2,0,0,0,0|1,1,0]=4 12848 B17R2.193 Cc1ccc(cc1I)CSc2ccccc2 62a_100000719477_100010206137 [0,2,0,0,0,0|1,0,0]=3 12849 B17R2.193 Cc1ccc(cc1I)CSc2ccccc2 62a_100010206137_100000041952 [0,2,0,0,0,0|1,0,0]=3 12850 B17R2.193 Cc1ccc(cc1I)CSc2ccccn2 62a_100010206137_100011216584 [0,2,0,0,0,0|2,0,0]=4 12851 B17R2.193 Cc1ccc(cc1I)CSc2ccccn2 62a_100011216584_100010206137 [0,2,0,0,0,0|2,0,0]=4 12852 B17R2.193 Cc1ccc(cc1I)CSc2cccnc2 62a_100000210063_100010206137 [0,2,0,0,0,0|2,0,0]=4 12853 B17R2.193 Cc1ccc(cc1I)CSc2cccnc2 62a_100010206137_100000210063 [0,2,0,0,0,0|2,0,0]=4 12854 B17R2.193 Cc1ccc(cc1I)CSc2ccncc2 62a_100000728582_100010206137 [0,2,0,0,0,0|2,0,0]=4 12855 B17R2.193 Cc1ccc(cc1I)CSc2ccncc2 62a_100010206137_100000728582 [0,2,0,0,0,0|2,0,0]=4 12856 B17R2.193 Cc1ccc(cc1I)NCc2ccccc2 207a_100000184131_100015611070 [0,2,0,0,0,0|2,0,0]=4 12857 B17R2.193 Cc1ccc(cc1I)NCc2ccccc2 270302a_100000184131_100015611070 [0,2,0,0,0,0|2,0,0]=4 12858 B17R2.193 Cc1ccc(cc1I)NCc2ccccc2 34a_100000184131_100015291786 [0,2,0,0,0,0|2,0,0]=4 12859 B17R2.193 Cc1ccc(cc1I)NCc2ccccc2 7a_100000184131_100000211182 [0,2,0,0,0,0|2,0,0]=4 12860 B17R2.193 Cc1ccc(cc1N)C#Cc2ccccc2 271570a_100000069678_100000761890 [0,2,0,0,0,0|2,0,0]=4 12861 B17R2.193 Cc1ccc(cc1N)C=Cc2ccccc2 271570a_100102527694_100000761890 [0,2,0,0,0,0|2,0,0]=4 12862 B17R2.193 Cc1ccc(cc1N)OCc2ccccc2 34a_100011216113_100015291786 [0,2,0,0,0,0|1,1,0]=4 12863 B17R2.193 Cc1ccc(cc1N)OCc2ccccc2 7a_100011216113_100000211182 [0,2,0,0,0,0|1,1,0]=4 12864 B17R2.193 Cc1ccc(cc1N)SCc2ccccc2 62a_100000211182_100000761890 [0,2,0,0,0,0|1,0,0]=3 12865 B17R2.193 Cc1ccc(cc1N)SCc2ccccc2 62a_100000761890_100015291786 [0,2,0,0,0,0|1,0,0]=3 12866 B17R2.193 Cc1ccc(cc1N)SCc2ccccn2 62a_100000721315_100000761890 [0,2,0,0,0,0|2,0,0]=4 12867 B17R2.193 Cc1ccc(cc1N)SCc2ccccn2 62a_100000761890_100000721315 [0,2,0,0,0,0|2,0,0]=4 12868 B17R2.193 Cc1ccc(cc1N)SCc2cccnc2 62a_100000741622_100000761890 [0,2,0,0,0,0|2,0,0]=4 12869 B17R2.193 Cc1ccc(cc1N)SCc2cccnc2 62a_100000761890_100000741622 [0,2,0,0,0,0|2,0,0]=4 12870 B17R2.193 Cc1ccc(cc1N)SCc2ccncc2 62a_100000761890_100015193705 [0,2,0,0,0,0|2,0,0]=4 12871 B17R2.193 Cc1ccc(cc1N)SCc2ccncc2 62a_100015193705_100000761890 [0,2,0,0,0,0|2,0,0]=4 12872 B17R2.193 Cc1ccc(cc1O)C#Cc2ccccc2 271570a_100000069678_100000766334 [0,2,0,0,0,0|2,0,0]=4 12873 B17R2.193 Cc1ccc(cc1O)C=Cc2ccccc2 271570a_100102527694_100000766334 [0,2,0,0,0,0|2,0,0]=4 12874 B17R2.193 Cc1ccc(cc1O)NCc2ccccc2 270302a_100000759471_100015611070 [0,2,0,0,0,0|2,0,0]=4 12875 B17R2.193 Cc1ccc(cc1O)NCc2ccccc2 34a_100000759471_100015291786 [0,2,0,0,0,0|2,0,0]=4 12876 B17R2.193 Cc1ccc(cc1O)NCc2ccccc2 7a_100000759471_100000211182 [0,2,0,0,0,0|2,0,0]=4 12877 B17R2.193 Cc1ccc(cc1O)OCc2ccccc2 271570a_203496583355_200010204193 [0,2,0,0,0,0|1,1,0]=4 12878 B17R2.193 Cc1ccc(cc1O)SCc2ccccc2 62a_100000211182_100000685420 [0,2,0,0,0,0|1,0,0]=3 12879 B17R2.193 Cc1ccc(cc1O)SCc2ccccc2 62a_100000685420_100015291786 [0,2,0,0,0,0|1,0,0]=3 12880 B17R2.193 Cc1ccc(cc1O)SCc2ccccn2 62a_100000685420_100000721315 [0,2,0,0,0,0|2,0,0]=4 12881 B17R2.193 Cc1ccc(cc1O)SCc2ccccn2 62a_100000721315_100000685420 [0,2,0,0,0,0|2,0,0]=4 12882 B17R2.193 Cc1ccc(cc1O)SCc2cccnc2 62a_100000685420_100000741622 [0,2,0,0,0,0|2,0,0]=4 12883 B17R2.193 Cc1ccc(cc1O)SCc2cccnc2 62a_100000741622_100000685420 [0,2,0,0,0,0|2,0,0]=4 12884 B17R2.193 Cc1ccc(cc1O)SCc2ccncc2 62a_100000685420_100015193705 [0,2,0,0,0,0|2,0,0]=4 12885 B17R2.193 Cc1ccc(cc1O)SCc2ccncc2 62a_100015193705_100000685420 [0,2,0,0,0,0|2,0,0]=4 12886 B17R2.193 Cc1ccc(nc1C)SCc2ccccc2 62a_100000103781_100015291786 [0,2,0,0,0,0|2,0,0]=4 12887 B17R2.193 Cc1ccc(nc1C)SCc2ccccc2 62a_100000211182_100000103781 [0,2,0,0,0,0|2,0,0]=4 12888 B17R2.193 Cc1ccc(nc1N)SCc2ccccc2 62a_100000211182_100009857032 [0,2,0,0,0,0|2,0,0]=4 12889 B17R2.193 Cc1ccc(nc1N)SCc2ccccc2 62a_100009857032_100015291786 [0,2,0,0,0,0|2,0,0]=4 12890 B17R2.193 Cc1cnc(cc1C)SCc2ccccc2 62a_100000211182_100009850809 [0,2,0,0,0,0|2,0,0]=4 12891 B17R2.193 Cc1cnc(cc1C)SCc2ccccc2 62a_100009850809_100015291786 [0,2,0,0,0,0|2,0,0]=4 12892 B17R2.193 Cc1cnc(cc1F)SCc2ccccc2 62a_100000211182_100009841206 [0,2,0,0,0,0|2,0,0]=4 12893 B17R2.193 Cc1cnc(cc1F)SCc2ccccc2 62a_100009841206_100015291786 [0,2,0,0,0,0|2,0,0]=4 12894 B17R2.193 Cc1cnc(cc1N)SCc2ccccc2 62a_100000126663_100015291786 [0,2,0,0,0,0|2,0,0]=4 12895 B17R2.193 Cc1cnc(cc1N)SCc2ccccc2 62a_100000211182_100000126663 [0,2,0,0,0,0|2,0,0]=4 12896 B17R2.193 Cc1cnc(cc1O)SCc2ccccc2 62a_100000211182_100000704368 [0,2,0,0,0,0|2,0,0]=4 12897 B17R2.193 Cc1cnc(cc1O)SCc2ccccc2 62a_100000704368_100015291786 [0,2,0,0,0,0|2,0,0]=4 12898 B17R2.193 Cc1nc(ccc1Br)SCc2ccccc2 62a_100000211182_100012360386 [0,2,0,0,0,0|2,0,0]=4 12899 B17R2.193 Cc1nc(ccc1Br)SCc2ccccc2 62a_100012360386_100015291786 [0,2,0,0,0,0|2,0,0]=4 12900 B17R2.193 Cc1nc(ccc1F)SCc2ccccc2 62a_100000211182_100009814307 [0,2,0,0,0,0|2,0,0]=4 12901 B17R2.193 Cc1nc(ccc1F)SCc2ccccc2 62a_100009814307_100015291786 [0,2,0,0,0,0|2,0,0]=4 12902 B17R2.193 Cc1nc(ccc1N)SCc2ccccc2 62a_100000211182_100000720120 [0,2,0,0,0,0|2,0,0]=4 12903 B17R2.193 Cc1nc(ccc1N)SCc2ccccc2 62a_100000720120_100015291786 [0,2,0,0,0,0|2,0,0]=4 12904 B17R2.193 Cc1nc(ccc1O)SCc2ccccc2 62a_100000211182_100010233687 [0,2,0,0,0,0|2,0,0]=4 12905 B17R2.193 Cc1nc(ccc1O)SCc2ccccc2 62a_100010233687_100015291786 [0,2,0,0,0,0|2,0,0]=4 12906 B17R2.193 Cc1ncc(cc1F)SCc2ccccc2 62a_100000211182_100009845756 [0,2,0,0,0,0|2,0,0]=4 12907 B17R2.193 Cc1ncc(cc1F)SCc2ccccc2 62a_100009845756_100015291786 [0,2,0,0,0,0|2,0,0]=4 12908 B17R2.193 Cc1ncc(cc1N)SCc2ccccc2 62a_100000211182_100011999542 [0,2,0,0,0,0|2,0,0]=4 12909 B17R2.193 Cc1ncc(cc1N)SCc2ccccc2 62a_100011999542_100015291786 [0,2,0,0,0,0|2,0,0]=4 12910 B17R2.193 Cc1ncc(cc1O)SCc2ccccc2 62a_100000211182_100009864810 [0,2,0,0,0,0|2,0,0]=4 12911 B17R2.193 Cc1ncc(cc1O)SCc2ccccc2 62a_100009864810_100015291786 [0,2,0,0,0,0|2,0,0]=4 12912 B17R2.193 Clc1cc(ccc1Br)C#Cc2ccccc2 271570a_100000069678_100012047281 [0,2,0,0,0,0|2,0,0]=4 12913 B17R2.193 Clc1cc(ccc1Br)C=Cc2ccccc2 271570a_100102527694_100012047281 [0,2,0,0,0,0|2,0,0]=4 12914 B17R2.193 Clc1cc(ccc1Br)CNc2ccccc2 207a_100000106764_100000690054 [0,2,0,0,0,0|2,0,0]=4 12915 B17R2.193 Clc1cc(ccc1Br)CNc2ccccc2 270302a_100000106764_100000690054 [0,2,0,0,0,0|2,0,0]=4 12916 B17R2.193 Clc1cc(ccc1Br)CNc2ccccc2 34a_100000106764_100012353895 [0,2,0,0,0,0|2,0,0]=4 12917 B17R2.193 Clc1cc(ccc1Br)COc2ccccc2 34a_100000210340_100012353895 [0,2,0,0,0,0|1,1,0]=4 12918 B17R2.193 Clc1cc(ccc1Br)COc2ccccc2 7a_100000210340_100012353895 [0,2,0,0,0,0|1,1,0]=4 12919 B17R2.193 Clc1cc(ccc1Br)CSc2ccccc2 62a_100000719477_100012353895 [0,2,0,0,0,0|1,0,0]=3 12920 B17R2.193 Clc1cc(ccc1Br)CSc2ccccc2 62a_100012353895_100000041952 [0,2,0,0,0,0|1,0,0]=3 12921 B17R2.193 Clc1cc(ccc1Br)CSc2ccccn2 62a_100011216584_100012353895 [0,2,0,0,0,0|2,0,0]=4 12922 B17R2.193 Clc1cc(ccc1Br)CSc2ccccn2 62a_100012353895_100011216584 [0,2,0,0,0,0|2,0,0]=4 12923 B17R2.193 Clc1cc(ccc1Br)CSc2cccnc2 62a_100000210063_100012353895 [0,2,0,0,0,0|2,0,0]=4 12924 B17R2.193 Clc1cc(ccc1Br)CSc2cccnc2 62a_100012353895_100000210063 [0,2,0,0,0,0|2,0,0]=4 12925 B17R2.193 Clc1cc(ccc1Br)CSc2ccncc2 62a_100000728582_100012353895 [0,2,0,0,0,0|2,0,0]=4 12926 B17R2.193 Clc1cc(ccc1Br)CSc2ccncc2 62a_100012353895_100000728582 [0,2,0,0,0,0|2,0,0]=4 12927 B17R2.193 Clc1cc(ccc1Br)NCc2ccccc2 207a_100000687081_100015611070 [0,2,0,0,0,0|2,0,0]=4 12928 B17R2.193 Clc1cc(ccc1Br)NCc2ccccc2 2230a_100000687081_100015291786 [0,2,0,0,0,0|2,0,0]=4 12929 B17R2.193 Clc1cc(ccc1Br)NCc2ccccc2 270302a_100000687081_100015611070 [0,2,0,0,0,0|2,0,0]=4 12930 B17R2.193 Clc1cc(ccc1Br)NCc2ccccc2 34a_100000687081_100015291786 [0,2,0,0,0,0|2,0,0]=4 12931 B17R2.193 Clc1cc(ccc1Br)NCc2ccccc2 7a_100000687081_100000211182 [0,2,0,0,0,0|2,0,0]=4 12932 B17R2.193 Clc1cc(ccc1Br)OCc2ccccc2 34a_100011215161_100015291786 [0,2,0,0,0,0|1,1,0]=4 12933 B17R2.193 Clc1cc(ccc1Br)OCc2ccccc2 7a_100011215161_100000211182 [0,2,0,0,0,0|1,1,0]=4 12934 B17R2.193 Clc1cc(ccc1Br)SCc2ccccc2 62a_100000211182_100012047281 [0,2,0,0,0,0|1,0,0]=3 12935 B17R2.193 Clc1cc(ccc1Br)SCc2ccccc2 62a_100012047281_100015291786 [0,2,0,0,0,0|1,0,0]=3 12936 B17R2.193 Clc1cc(ccc1Br)SCc2ccccn2 62a_100000721315_100012047281 [0,2,0,0,0,0|2,0,0]=4 12937 B17R2.193 Clc1cc(ccc1Br)SCc2ccccn2 62a_100012047281_100000721315 [0,2,0,0,0,0|2,0,0]=4 12938 B17R2.193 Clc1cc(ccc1Br)SCc2cccnc2 62a_100000741622_100012047281 [0,2,0,0,0,0|2,0,0]=4 12939 B17R2.193 Clc1cc(ccc1Br)SCc2cccnc2 62a_100012047281_100000741622 [0,2,0,0,0,0|2,0,0]=4 12940 B17R2.193 Clc1cc(ccc1Br)SCc2ccncc2 62a_100012047281_100015193705 [0,2,0,0,0,0|2,0,0]=4 12941 B17R2.193 Clc1cc(ccc1Br)SCc2ccncc2 62a_100015193705_100012047281 [0,2,0,0,0,0|2,0,0]=4 12942 B17R2.193 Clc1cc(ccc1I)CNc2ccccc2 34a_100000106764_100012349665 [0,2,0,0,0,0|2,0,0]=4 12943 B17R2.193 Clc1cc(ccc1I)COc2ccccc2 34a_100000210340_100012349665 [0,2,0,0,0,0|1,1,0]=4 12944 B17R2.193 Clc1cc(ccc1I)COc2ccccc2 7a_100000210340_100012349665 [0,2,0,0,0,0|1,1,0]=4 12945 B17R2.193 Clc1cc(ccc1I)CSc2ccccc2 62a_100000719477_100012349665 [0,2,0,0,0,0|1,0,0]=3 12946 B17R2.193 Clc1cc(ccc1I)CSc2ccccc2 62a_100012349665_100000041952 [0,2,0,0,0,0|1,0,0]=3 12947 B17R2.193 Clc1cc(ccc1I)CSc2ccccn2 62a_100011216584_100012349665 [0,2,0,0,0,0|2,0,0]=4 12948 B17R2.193 Clc1cc(ccc1I)CSc2ccccn2 62a_100012349665_100011216584 [0,2,0,0,0,0|2,0,0]=4 12949 B17R2.193 Clc1cc(ccc1I)CSc2cccnc2 62a_100000210063_100012349665 [0,2,0,0,0,0|2,0,0]=4 12950 B17R2.193 Clc1cc(ccc1I)CSc2cccnc2 62a_100012349665_100000210063 [0,2,0,0,0,0|2,0,0]=4 12951 B17R2.193 Clc1cc(ccc1I)CSc2ccncc2 62a_100000728582_100012349665 [0,2,0,0,0,0|2,0,0]=4 12952 B17R2.193 Clc1cc(ccc1I)CSc2ccncc2 62a_100012349665_100000728582 [0,2,0,0,0,0|2,0,0]=4 12953 B17R2.193 Clc1cc(ccc1I)NCc2ccccc2 207a_100000761885_100015611070 [0,2,0,0,0,0|2,0,0]=4 12954 B17R2.193 Clc1cc(ccc1I)NCc2ccccc2 270302a_100000761885_100015611070 [0,2,0,0,0,0|2,0,0]=4 12955 B17R2.193 Clc1cc(ccc1I)NCc2ccccc2 34a_100000761885_100015291786 [0,2,0,0,0,0|2,0,0]=4 12956 B17R2.193 Clc1cc(ccc1I)OCc2ccccc2 34a_100000047559_100015291786 [0,2,0,0,0,0|1,1,0]=4 12957 B17R2.193 Clc1cc(ccc1I)OCc2ccccc2 7a_100000047559_100000211182 [0,2,0,0,0,0|1,1,0]=4 12958 B17R2.193 Clc1cc(cnc1Cl)CSc2ccccc2 62a_100000719477_100009843750 [0,2,0,0,0,0|2,0,0]=4 12959 B17R2.193 Clc1cc(cnc1Cl)CSc2ccccc2 62a_100009843750_100000041952 [0,2,0,0,0,0|2,0,0]=4 12960 B17R2.193 Clc1ccc(cc1Br)C#Cc2ccccc2 271570a_100000069678_100012353702 [0,2,0,0,0,0|2,0,0]=4 12961 B17R2.193 Clc1ccc(cc1Br)C=Cc2ccccc2 271570a_100102527694_100012353702 [0,2,0,0,0,0|2,0,0]=4 12962 B17R2.193 Clc1ccc(cc1Br)CNc2ccccc2 207a_100000106764_100000693810 [0,2,0,0,0,0|2,0,0]=4 12963 B17R2.193 Clc1ccc(cc1Br)CNc2ccccc2 270302a_100000106764_100000693810 [0,2,0,0,0,0|2,0,0]=4 12964 B17R2.193 Clc1ccc(cc1Br)CNc2ccccc2 34a_100000106764_100012353894 [0,2,0,0,0,0|2,0,0]=4 12965 B17R2.193 Clc1ccc(cc1Br)COc2ccccc2 34a_100000210340_100012353894 [0,2,0,0,0,0|1,1,0]=4 12966 B17R2.193 Clc1ccc(cc1Br)COc2ccccc2 7a_100000210340_100012353894 [0,2,0,0,0,0|1,1,0]=4 12967 B17R2.193 Clc1ccc(cc1Br)CSc2ccccc2 62a_100000719477_100012353894 [0,2,0,0,0,0|1,0,0]=3 12968 B17R2.193 Clc1ccc(cc1Br)CSc2ccccc2 62a_100012353894_100000041952 [0,2,0,0,0,0|1,0,0]=3 12969 B17R2.193 Clc1ccc(cc1Br)CSc2ccccn2 62a_100011216584_100012353894 [0,2,0,0,0,0|2,0,0]=4 12970 B17R2.193 Clc1ccc(cc1Br)CSc2ccccn2 62a_100012353894_100011216584 [0,2,0,0,0,0|2,0,0]=4 12971 B17R2.193 Clc1ccc(cc1Br)CSc2cccnc2 62a_100000210063_100012353894 [0,2,0,0,0,0|2,0,0]=4 12972 B17R2.193 Clc1ccc(cc1Br)CSc2cccnc2 62a_100012353894_100000210063 [0,2,0,0,0,0|2,0,0]=4 12973 B17R2.193 Clc1ccc(cc1Br)CSc2ccncc2 62a_100000728582_100012353894 [0,2,0,0,0,0|2,0,0]=4 12974 B17R2.193 Clc1ccc(cc1Br)CSc2ccncc2 62a_100012353894_100000728582 [0,2,0,0,0,0|2,0,0]=4 12975 B17R2.193 Clc1ccc(cc1Br)NCc2ccccc2 207a_100000686031_100015611070 [0,2,0,0,0,0|2,0,0]=4 12976 B17R2.193 Clc1ccc(cc1Br)NCc2ccccc2 2230a_100000686031_100015291786 [0,2,0,0,0,0|2,0,0]=4 12977 B17R2.193 Clc1ccc(cc1Br)NCc2ccccc2 270302a_100000686031_100015611070 [0,2,0,0,0,0|2,0,0]=4 12978 B17R2.193 Clc1ccc(cc1Br)NCc2ccccc2 34a_100000686031_100015291786 [0,2,0,0,0,0|2,0,0]=4 12979 B17R2.193 Clc1ccc(cc1Br)OCc2ccccc2 34a_100011933957_100015291786 [0,2,0,0,0,0|1,1,0]=4 12980 B17R2.193 Clc1ccc(cc1Br)OCc2ccccc2 7a_100011933957_100000211182 [0,2,0,0,0,0|1,1,0]=4 12981 B17R2.193 Clc1ccc(cc1Br)SCc2ccccc2 62a_100000211182_100012353702 [0,2,0,0,0,0|1,0,0]=3 12982 B17R2.193 Clc1ccc(cc1Br)SCc2ccccc2 62a_100012353702_100015291786 [0,2,0,0,0,0|1,0,0]=3 12983 B17R2.193 Clc1ccc(cc1Br)SCc2ccccn2 62a_100000721315_100012353702 [0,2,0,0,0,0|2,0,0]=4 12984 B17R2.193 Clc1ccc(cc1Br)SCc2ccccn2 62a_100012353702_100000721315 [0,2,0,0,0,0|2,0,0]=4 12985 B17R2.193 Clc1ccc(cc1Br)SCc2cccnc2 62a_100000741622_100012353702 [0,2,0,0,0,0|2,0,0]=4 12986 B17R2.193 Clc1ccc(cc1Br)SCc2cccnc2 62a_100012353702_100000741622 [0,2,0,0,0,0|2,0,0]=4 12987 B17R2.193 Clc1ccc(cc1Br)SCc2ccncc2 62a_100012353702_100015193705 [0,2,0,0,0,0|2,0,0]=4 12988 B17R2.193 Clc1ccc(cc1Br)SCc2ccncc2 62a_100015193705_100012353702 [0,2,0,0,0,0|2,0,0]=4 12989 B17R2.193 Clc1ccc(cc1Cl)C#Cc2ccccc2 271570a_100000069678_100011214914 [0,2,0,0,0,0|2,0,0]=4 12990 B17R2.193 Clc1ccc(cc1Cl)C=Cc2ccccc2 271570a_100102527694_100011214914 [0,2,0,0,0,0|2,0,0]=4 12991 B17R2.193 Clc1ccc(cc1Cl)CNc2ccccc2 207a_100000106764_100000188533 [0,2,0,0,0,0|2,0,0]=4 12992 B17R2.193 Clc1ccc(cc1Cl)CNc2ccccc2 270302a_100000106764_100000188533 [0,2,0,0,0,0|2,0,0]=4 12993 B17R2.193 Clc1ccc(cc1Cl)CNc2ccccc2 34a_100000106764_100000184707 [0,2,0,0,0,0|2,0,0]=4 12994 B17R2.193 Clc1ccc(cc1Cl)COc2ccccc2 34a_100000210340_100000184707 [0,2,0,0,0,0|1,1,0]=4 12995 B17R2.193 Clc1ccc(cc1Cl)COc2ccccc2 7a_100000210340_100000184707 [0,2,0,0,0,0|1,1,0]=4 12996 B17R2.193 Clc1ccc(cc1Cl)CSc2ccccc2 62a_100000184707_100000041952 [0,2,0,0,0,0|1,0,0]=3 12997 B17R2.193 Clc1ccc(cc1Cl)CSc2ccccc2 62a_100000719477_100000184707 [0,2,0,0,0,0|1,0,0]=3 12998 B17R2.193 Clc1ccc(cc1Cl)CSc2ccccn2 62a_100000184707_100011216584 [0,2,0,0,0,0|2,0,0]=4 12999 B17R2.193 Clc1ccc(cc1Cl)CSc2ccccn2 62a_100011216584_100000184707 [0,2,0,0,0,0|2,0,0]=4 13000 B17R2.193 Clc1ccc(cc1Cl)CSc2cccnc2 62a_100000184707_100000210063 [0,2,0,0,0,0|2,0,0]=4 13001 B17R2.193 Clc1ccc(cc1Cl)CSc2cccnc2 62a_100000210063_100000184707 [0,2,0,0,0,0|2,0,0]=4 13002 B17R2.193 Clc1ccc(cc1Cl)CSc2ccncc2 62a_100000184707_100000728582 [0,2,0,0,0,0|2,0,0]=4 13003 B17R2.193 Clc1ccc(cc1Cl)CSc2ccncc2 62a_100000728582_100000184707 [0,2,0,0,0,0|2,0,0]=4 13004 B17R2.193 Clc1ccc(cc1Cl)NCc2ccccc2 207a_100000184108_100015611070 [0,2,0,0,0,0|2,0,0]=4 13005 B17R2.193 Clc1ccc(cc1Cl)NCc2ccccc2 2230a_100000184108_100015291786 [0,2,0,0,0,0|2,0,0]=4 13006 B17R2.193 Clc1ccc(cc1Cl)NCc2ccccc2 270302a_100000184108_100015611070 [0,2,0,0,0,0|2,0,0]=4 13007 B17R2.193 Clc1ccc(cc1Cl)NCc2ccccc2 34a_100000184108_100015291786 [0,2,0,0,0,0|2,0,0]=4 13008 B17R2.193 Clc1ccc(cc1Cl)OCc2ccccc2 34a_100000211054_100015291786 [0,2,0,0,0,0|1,1,0]=4 13009 B17R2.193 Clc1ccc(cc1Cl)OCc2ccccc2 7a_100000211054_100000211182 [0,2,0,0,0,0|1,1,0]=4 13010 B17R2.193 Clc1ccc(cc1Cl)SCc2ccccc2 62a_100000211182_100011214914 [0,2,0,0,0,0|1,0,0]=3 13011 B17R2.193 Clc1ccc(cc1Cl)SCc2ccccc2 62a_100011214914_100015291786 [0,2,0,0,0,0|1,0,0]=3 13012 B17R2.193 Clc1ccc(cc1Cl)SCc2ccccn2 62a_100000721315_100011214914 [0,2,0,0,0,0|2,0,0]=4 13013 B17R2.193 Clc1ccc(cc1Cl)SCc2ccccn2 62a_100011214914_100000721315 [0,2,0,0,0,0|2,0,0]=4 13014 B17R2.193 Clc1ccc(cc1Cl)SCc2cccnc2 62a_100000741622_100011214914 [0,2,0,0,0,0|2,0,0]=4 13015 B17R2.193 Clc1ccc(cc1Cl)SCc2cccnc2 62a_100011214914_100000741622 [0,2,0,0,0,0|2,0,0]=4 13016 B17R2.193 Clc1ccc(cc1Cl)SCc2ccncc2 62a_100011214914_100015193705 [0,2,0,0,0,0|2,0,0]=4 13017 B17R2.193 Clc1ccc(cc1Cl)SCc2ccncc2 62a_100015193705_100011214914 [0,2,0,0,0,0|2,0,0]=4 13018 B17R2.193 Clc1ccc(cc1I)CNc2ccccc2 207a_100000106764_100010209939 [0,2,0,0,0,0|2,0,0]=4 13019 B17R2.193 Clc1ccc(cc1I)NCc2ccccc2 207a_100012360549_100015611070 [0,2,0,0,0,0|2,0,0]=4 13020 B17R2.193 Clc1ccc(cc1I)NCc2ccccc2 270302a_100012360549_100015611070 [0,2,0,0,0,0|2,0,0]=4 13021 B17R2.193 Clc1ccc(cc1I)NCc2ccccc2 34a_100012360549_100015291786 [0,2,0,0,0,0|2,0,0]=4 13022 B17R2.193 Clc1ccc(cc1I)OCc2ccccc2 34a_100000049588_100015291786 [0,2,0,0,0,0|1,1,0]=4 13023 B17R2.193 Clc1ccc(cc1I)OCc2ccccc2 7a_100000049588_100000211182 [0,2,0,0,0,0|1,1,0]=4 13024 B17R2.193 Clc1ncc(cc1Br)SCc2ccccc2 62a_100000211182_100010172733 [0,2,0,0,0,0|2,0,0]=4 13025 B17R2.193 Clc1ncc(cc1Br)SCc2ccccc2 62a_100010172733_100015291786 [0,2,0,0,0,0|2,0,0]=4 13026 B17R2.193 Clc1ncc(cc1I)CSc2ccccc2 62a_100000719477_100011072623 [0,2,0,0,0,0|2,0,0]=4 13027 B17R2.193 Clc1ncc(cc1I)CSc2ccccc2 62a_100011072623_100000041952 [0,2,0,0,0,0|2,0,0]=4 13028 B17R2.193 Cn1cc(ccc1=O)SCc2ccccc2 62a_100000211182_100011245003 [0,2,0,0,0,0|2,0,0]=4 13029 B17R2.193 Cn1cc(ccc1=O)SCc2ccccc2 62a_100011245003_100015291786 [0,2,0,0,0,0|2,0,0]=4 13030 B17R2.193 Cn1ccc(cc1=O)SCc2ccccc2 62a_100000211182_100009820031 [0,2,0,0,0,0|2,0,0]=4 13031 B17R2.193 Cn1ccc(cc1=O)SCc2ccccc2 62a_100009820031_100015291786 [0,2,0,0,0,0|2,0,0]=4 13032 B17R2.193 Fc1cc(ccc1Br)C#Cc2ccccc2 271570a_100000069678_100000685389 [0,2,0,0,0,0|2,0,0]=4 13033 B17R2.193 Fc1cc(ccc1Br)C=Cc2ccccc2 271570a_100102527694_100000685389 [0,2,0,0,0,0|2,0,0]=4 13034 B17R2.193 Fc1cc(ccc1Br)CNc2ccccc2 207a_100000106764_100000686674 [0,2,0,0,0,0|2,0,0]=4 13035 B17R2.193 Fc1cc(ccc1Br)CNc2ccccc2 270302a_100000106764_100000686674 [0,2,0,0,0,0|2,0,0]=4 13036 B17R2.193 Fc1cc(ccc1Br)CNc2ccccc2 34a_100000106764_100000767054 [0,2,0,0,0,0|2,0,0]=4 13037 B17R2.193 Fc1cc(ccc1Br)COc2ccccc2 34a_100000210340_100000767054 [0,2,0,0,0,0|1,1,0]=4 13038 B17R2.193 Fc1cc(ccc1Br)COc2ccccc2 7a_100000210340_100000767054 [0,2,0,0,0,0|1,1,0]=4 13039 B17R2.193 Fc1cc(ccc1Br)CSc2ccccc2 62a_100000719477_100000767054 [0,2,0,0,0,0|1,0,0]=3 13040 B17R2.193 Fc1cc(ccc1Br)CSc2ccccc2 62a_100000767054_100000041952 [0,2,0,0,0,0|1,0,0]=3 13041 B17R2.193 Fc1cc(ccc1Br)CSc2ccccn2 62a_100000767054_100011216584 [0,2,0,0,0,0|2,0,0]=4 13042 B17R2.193 Fc1cc(ccc1Br)CSc2ccccn2 62a_100011216584_100000767054 [0,2,0,0,0,0|2,0,0]=4 13043 B17R2.193 Fc1cc(ccc1Br)CSc2cccnc2 62a_100000210063_100000767054 [0,2,0,0,0,0|2,0,0]=4 13044 B17R2.193 Fc1cc(ccc1Br)CSc2cccnc2 62a_100000767054_100000210063 [0,2,0,0,0,0|2,0,0]=4 13045 B17R2.193 Fc1cc(ccc1Br)CSc2ccncc2 62a_100000728582_100000767054 [0,2,0,0,0,0|2,0,0]=4 13046 B17R2.193 Fc1cc(ccc1Br)CSc2ccncc2 62a_100000767054_100000728582 [0,2,0,0,0,0|2,0,0]=4 13047 B17R2.193 Fc1cc(ccc1Br)NCc2ccccc2 207a_100000759894_100015611070 [0,2,0,0,0,0|2,0,0]=4 13048 B17R2.193 Fc1cc(ccc1Br)NCc2ccccc2 2230a_100000759894_100015291786 [0,2,0,0,0,0|2,0,0]=4 13049 B17R2.193 Fc1cc(ccc1Br)NCc2ccccc2 270302a_100000759894_100015611070 [0,2,0,0,0,0|2,0,0]=4 13050 B17R2.193 Fc1cc(ccc1Br)NCc2ccccc2 34a_100000759894_100015291786 [0,2,0,0,0,0|2,0,0]=4 13051 B17R2.193 Fc1cc(ccc1Br)NCc2ccccc2 7a_100000759894_100000211182 [0,2,0,0,0,0|2,0,0]=4 13052 B17R2.193 Fc1cc(ccc1Br)OCc2ccccc2 34a_100000755031_100015291786 [0,2,0,0,0,0|1,1,0]=4 13053 B17R2.193 Fc1cc(ccc1Br)OCc2ccccc2 7a_100000755031_100000211182 [0,2,0,0,0,0|1,1,0]=4 13054 B17R2.193 Fc1cc(ccc1Br)SCc2ccccc2 62a_100000211182_100000685389 [0,2,0,0,0,0|1,0,0]=3 13055 B17R2.193 Fc1cc(ccc1Br)SCc2ccccc2 62a_100000685389_100015291786 [0,2,0,0,0,0|1,0,0]=3 13056 B17R2.193 Fc1cc(ccc1Br)SCc2ccccn2 62a_100000685389_100000721315 [0,2,0,0,0,0|2,0,0]=4 13057 B17R2.193 Fc1cc(ccc1Br)SCc2ccccn2 62a_100000721315_100000685389 [0,2,0,0,0,0|2,0,0]=4 13058 B17R2.193 Fc1cc(ccc1Br)SCc2cccnc2 62a_100000685389_100000741622 [0,2,0,0,0,0|2,0,0]=4 13059 B17R2.193 Fc1cc(ccc1Br)SCc2cccnc2 62a_100000741622_100000685389 [0,2,0,0,0,0|2,0,0]=4 13060 B17R2.193 Fc1cc(ccc1Br)SCc2ccncc2 62a_100000685389_100015193705 [0,2,0,0,0,0|2,0,0]=4 13061 B17R2.193 Fc1cc(ccc1Br)SCc2ccncc2 62a_100015193705_100000685389 [0,2,0,0,0,0|2,0,0]=4 13062 B17R2.193 Fc1cc(ccc1Cl)C#Cc2ccccc2 271570a_100000069678_100011216805 [0,2,0,0,0,0|2,0,0]=4 13063 B17R2.193 Fc1cc(ccc1Cl)C=Cc2ccccc2 271570a_100102527694_100011216805 [0,2,0,0,0,0|2,0,0]=4 13064 B17R2.193 Fc1cc(ccc1Cl)CNc2ccccc2 207a_100000106764_100000745630 [0,2,0,0,0,0|2,0,0]=4 13065 B17R2.193 Fc1cc(ccc1Cl)CNc2ccccc2 270302a_100000106764_100000745630 [0,2,0,0,0,0|2,0,0]=4 13066 B17R2.193 Fc1cc(ccc1Cl)CNc2ccccc2 34a_100000106764_100011519011 [0,2,0,0,0,0|2,0,0]=4 13067 B17R2.193 Fc1cc(ccc1Cl)COc2ccccc2 34a_100000210340_100011519011 [0,2,0,0,0,0|1,1,0]=4 13068 B17R2.193 Fc1cc(ccc1Cl)COc2ccccc2 7a_100000210340_100000716492 [0,2,0,0,0,0|1,1,0]=4 13069 B17R2.193 Fc1cc(ccc1Cl)CSc2ccccc2 62a_100000716492_100000041952 [0,2,0,0,0,0|1,0,0]=3 13070 B17R2.193 Fc1cc(ccc1Cl)CSc2ccccc2 62a_100000719477_100000716492 [0,2,0,0,0,0|1,0,0]=3 13071 B17R2.193 Fc1cc(ccc1Cl)CSc2ccccn2 62a_100000716492_100011216584 [0,2,0,0,0,0|2,0,0]=4 13072 B17R2.193 Fc1cc(ccc1Cl)CSc2ccccn2 62a_100011216584_100000716492 [0,2,0,0,0,0|2,0,0]=4 13073 B17R2.193 Fc1cc(ccc1Cl)CSc2cccnc2 62a_100000210063_100000716492 [0,2,0,0,0,0|2,0,0]=4 13074 B17R2.193 Fc1cc(ccc1Cl)CSc2cccnc2 62a_100000716492_100000210063 [0,2,0,0,0,0|2,0,0]=4 13075 B17R2.193 Fc1cc(ccc1Cl)CSc2ccncc2 62a_100000716492_100000728582 [0,2,0,0,0,0|2,0,0]=4 13076 B17R2.193 Fc1cc(ccc1Cl)CSc2ccncc2 62a_100000728582_100000716492 [0,2,0,0,0,0|2,0,0]=4 13077 B17R2.193 Fc1cc(ccc1Cl)NCc2ccccc2 207a_100000739366_100015611070 [0,2,0,0,0,0|2,0,0]=4 13078 B17R2.193 Fc1cc(ccc1Cl)NCc2ccccc2 2230a_100000739366_100015291786 [0,2,0,0,0,0|2,0,0]=4 13079 B17R2.193 Fc1cc(ccc1Cl)NCc2ccccc2 270302a_100000739366_100015611070 [0,2,0,0,0,0|2,0,0]=4 13080 B17R2.193 Fc1cc(ccc1Cl)NCc2ccccc2 34a_100000739366_100015291786 [0,2,0,0,0,0|2,0,0]=4 13081 B17R2.193 Fc1cc(ccc1Cl)NCc2ccccc2 7a_100000739366_100000211182 [0,2,0,0,0,0|2,0,0]=4 13082 B17R2.193 Fc1cc(ccc1Cl)OCc2ccccc2 34a_100000691581_100015291786 [0,2,0,0,0,0|1,1,0]=4 13083 B17R2.193 Fc1cc(ccc1Cl)OCc2ccccc2 7a_100000691581_100000211182 [0,2,0,0,0,0|1,1,0]=4 13084 B17R2.193 Fc1cc(ccc1Cl)SCc2ccccc2 62a_100000211182_100011216805 [0,2,0,0,0,0|1,0,0]=3 13085 B17R2.193 Fc1cc(ccc1Cl)SCc2ccccc2 62a_100011216805_100015291786 [0,2,0,0,0,0|1,0,0]=3 13086 B17R2.193 Fc1cc(ccc1Cl)SCc2ccccn2 62a_100000721315_100011216805 [0,2,0,0,0,0|2,0,0]=4 13087 B17R2.193 Fc1cc(ccc1Cl)SCc2ccccn2 62a_100011216805_100000721315 [0,2,0,0,0,0|2,0,0]=4 13088 B17R2.193 Fc1cc(ccc1Cl)SCc2cccnc2 62a_100000741622_100011216805 [0,2,0,0,0,0|2,0,0]=4 13089 B17R2.193 Fc1cc(ccc1Cl)SCc2cccnc2 62a_100011216805_100000741622 [0,2,0,0,0,0|2,0,0]=4 13090 B17R2.193 Fc1cc(ccc1Cl)SCc2ccncc2 62a_100011216805_100015193705 [0,2,0,0,0,0|2,0,0]=4 13091 B17R2.193 Fc1cc(ccc1Cl)SCc2ccncc2 62a_100015193705_100011216805 [0,2,0,0,0,0|2,0,0]=4 13092 B17R2.193 Fc1cc(ccc1I)CNc2ccccc2 207a_100000106764_100000050832 [0,2,0,0,0,0|2,0,0]=4 13093 B17R2.193 Fc1cc(ccc1I)CNc2ccccc2 34a_100000106764_100010149604 [0,2,0,0,0,0|2,0,0]=4 13094 B17R2.193 Fc1cc(ccc1I)COc2ccccc2 34a_100000210340_100010149604 [0,2,0,0,0,0|1,1,0]=4 13095 B17R2.193 Fc1cc(ccc1I)COc2ccccc2 7a_100000210340_100010149604 [0,2,0,0,0,0|1,1,0]=4 13096 B17R2.193 Fc1cc(ccc1I)CSc2ccccc2 62a_100000719477_100010149604 [0,2,0,0,0,0|1,0,0]=3 13097 B17R2.193 Fc1cc(ccc1I)CSc2ccccc2 62a_100010149604_100000041952 [0,2,0,0,0,0|1,0,0]=3 13098 B17R2.193 Fc1cc(ccc1I)CSc2ccccn2 62a_100010149604_100011216584 [0,2,0,0,0,0|2,0,0]=4 13099 B17R2.193 Fc1cc(ccc1I)CSc2ccccn2 62a_100011216584_100010149604 [0,2,0,0,0,0|2,0,0]=4 13100 B17R2.193 Fc1cc(ccc1I)CSc2cccnc2 62a_100000210063_100010149604 [0,2,0,0,0,0|2,0,0]=4 13101 B17R2.193 Fc1cc(ccc1I)CSc2cccnc2 62a_100010149604_100000210063 [0,2,0,0,0,0|2,0,0]=4 13102 B17R2.193 Fc1cc(ccc1I)CSc2ccncc2 62a_100000728582_100010149604 [0,2,0,0,0,0|2,0,0]=4 13103 B17R2.193 Fc1cc(ccc1I)CSc2ccncc2 62a_100010149604_100000728582 [0,2,0,0,0,0|2,0,0]=4 13104 B17R2.193 Fc1cc(ccc1I)NCc2ccccc2 207a_100011356925_100015611070 [0,2,0,0,0,0|2,0,0]=4 13105 B17R2.193 Fc1cc(ccc1I)NCc2ccccc2 270302a_100011356925_100015611070 [0,2,0,0,0,0|2,0,0]=4 13106 B17R2.193 Fc1cc(ccc1I)NCc2ccccc2 34a_100011356925_100015291786 [0,2,0,0,0,0|2,0,0]=4 13107 B17R2.193 Fc1cc(ccc1I)NCc2ccccc2 7a_100011356925_100000211182 [0,2,0,0,0,0|2,0,0]=4 13108 B17R2.193 Fc1cc(ccc1I)OCc2ccccc2 34a_100009990212_100015291786 [0,2,0,0,0,0|1,1,0]=4 13109 B17R2.193 Fc1cc(ccc1I)OCc2ccccc2 7a_100009990212_100000211182 [0,2,0,0,0,0|1,1,0]=4 13110 B17R2.193 Fc1cc(cnc1F)SCc2ccccc2 62a_100000211182_100009817721 [0,2,0,0,0,0|2,0,0]=4 13111 B17R2.193 Fc1cc(cnc1F)SCc2ccccc2 62a_100009817721_100015291786 [0,2,0,0,0,0|2,0,0]=4 13112 B17R2.193 Fc1ccc(cc1Br)C#Cc2ccccc2 271570a_100000069678_100012047266 [0,2,0,0,0,0|2,0,0]=4 13113 B17R2.193 Fc1ccc(cc1Br)C=Cc2ccccc2 271570a_100102527694_100012047266 [0,2,0,0,0,0|2,0,0]=4 13114 B17R2.193 Fc1ccc(cc1Br)CNc2ccccc2 207a_100000106764_100000211747 [0,2,0,0,0,0|2,0,0]=4 13115 B17R2.193 Fc1ccc(cc1Br)CNc2ccccc2 270302a_100000106764_100000211747 [0,2,0,0,0,0|2,0,0]=4 13116 B17R2.193 Fc1ccc(cc1Br)CNc2ccccc2 34a_100000106764_100011206884 [0,2,0,0,0,0|2,0,0]=4 13117 B17R2.193 Fc1ccc(cc1Br)COc2ccccc2 34a_100000210340_100011206884 [0,2,0,0,0,0|1,1,0]=4 13118 B17R2.193 Fc1ccc(cc1Br)COc2ccccc2 7a_100000210340_100011206884 [0,2,0,0,0,0|1,1,0]=4 13119 B17R2.193 Fc1ccc(cc1Br)CSc2ccccc2 62a_100000719477_100011206884 [0,2,0,0,0,0|1,0,0]=3 13120 B17R2.193 Fc1ccc(cc1Br)CSc2ccccc2 62a_100011206884_100000041952 [0,2,0,0,0,0|1,0,0]=3 13121 B17R2.193 Fc1ccc(cc1Br)CSc2ccccn2 62a_100011206884_100011216584 [0,2,0,0,0,0|2,0,0]=4 13122 B17R2.193 Fc1ccc(cc1Br)CSc2ccccn2 62a_100011216584_100011206884 [0,2,0,0,0,0|2,0,0]=4 13123 B17R2.193 Fc1ccc(cc1Br)CSc2cccnc2 62a_100000210063_100011206884 [0,2,0,0,0,0|2,0,0]=4 13124 B17R2.193 Fc1ccc(cc1Br)CSc2cccnc2 62a_100011206884_100000210063 [0,2,0,0,0,0|2,0,0]=4 13125 B17R2.193 Fc1ccc(cc1Br)CSc2ccncc2 62a_100000728582_100011206884 [0,2,0,0,0,0|2,0,0]=4 13126 B17R2.193 Fc1ccc(cc1Br)CSc2ccncc2 62a_100011206884_100000728582 [0,2,0,0,0,0|2,0,0]=4 13127 B17R2.193 Fc1ccc(cc1Br)NCc2ccccc2 207a_100000760356_100015611070 [0,2,0,0,0,0|2,0,0]=4 13128 B17R2.193 Fc1ccc(cc1Br)NCc2ccccc2 2230a_100000760356_100015291786 [0,2,0,0,0,0|2,0,0]=4 13129 B17R2.193 Fc1ccc(cc1Br)NCc2ccccc2 270302a_100000760356_100015611070 [0,2,0,0,0,0|2,0,0]=4 13130 B17R2.193 Fc1ccc(cc1Br)NCc2ccccc2 34a_100000760356_100015291786 [0,2,0,0,0,0|2,0,0]=4 13131 B17R2.193 Fc1ccc(cc1Br)NCc2ccccc2 7a_100000760356_100000211182 [0,2,0,0,0,0|2,0,0]=4 13132 B17R2.193 Fc1ccc(cc1Br)OCc2ccccc2 34a_100000693481_100015291786 [0,2,0,0,0,0|1,1,0]=4 13133 B17R2.193 Fc1ccc(cc1Br)OCc2ccccc2 7a_100000693481_100000211182 [0,2,0,0,0,0|1,1,0]=4 13134 B17R2.193 Fc1ccc(cc1Br)SCc2ccccc2 62a_100000211182_100012047266 [0,2,0,0,0,0|1,0,0]=3 13135 B17R2.193 Fc1ccc(cc1Br)SCc2ccccc2 62a_100012047266_100015291786 [0,2,0,0,0,0|1,0,0]=3 13136 B17R2.193 Fc1ccc(cc1Br)SCc2ccccn2 62a_100000721315_100012047266 [0,2,0,0,0,0|2,0,0]=4 13137 B17R2.193 Fc1ccc(cc1Br)SCc2ccccn2 62a_100012047266_100000721315 [0,2,0,0,0,0|2,0,0]=4 13138 B17R2.193 Fc1ccc(cc1Br)SCc2cccnc2 62a_100000741622_100012047266 [0,2,0,0,0,0|2,0,0]=4 13139 B17R2.193 Fc1ccc(cc1Br)SCc2cccnc2 62a_100012047266_100000741622 [0,2,0,0,0,0|2,0,0]=4 13140 B17R2.193 Fc1ccc(cc1Br)SCc2ccncc2 62a_100012047266_100015193705 [0,2,0,0,0,0|2,0,0]=4 13141 B17R2.193 Fc1ccc(cc1Br)SCc2ccncc2 62a_100015193705_100012047266 [0,2,0,0,0,0|2,0,0]=4 13142 B17R2.193 Fc1ccc(cc1Cl)C#Cc2ccccc2 271570a_100000069678_100011215976 [0,2,0,0,0,0|2,0,0]=4 13143 B17R2.193 Fc1ccc(cc1Cl)C=Cc2ccccc2 271570a_100102527694_100011215976 [0,2,0,0,0,0|2,0,0]=4 13144 B17R2.193 Fc1ccc(cc1Cl)CNc2ccccc2 207a_100000106764_100000742290 [0,2,0,0,0,0|2,0,0]=4 13145 B17R2.193 Fc1ccc(cc1Cl)CNc2ccccc2 270302a_100000106764_100000742290 [0,2,0,0,0,0|2,0,0]=4 13146 B17R2.193 Fc1ccc(cc1Cl)CNc2ccccc2 34a_100000106764_100011934319 [0,2,0,0,0,0|2,0,0]=4 13147 B17R2.193 Fc1ccc(cc1Cl)COc2ccccc2 34a_100000210340_100011934319 [0,2,0,0,0,0|1,1,0]=4 13148 B17R2.193 Fc1ccc(cc1Cl)COc2ccccc2 7a_100000210340_100000717365 [0,2,0,0,0,0|1,1,0]=4 13149 B17R2.193 Fc1ccc(cc1Cl)CSc2ccccc2 62a_100000717365_100000041952 [0,2,0,0,0,0|1,0,0]=3 13150 B17R2.193 Fc1ccc(cc1Cl)CSc2ccccc2 62a_100000719477_100011934319 [0,2,0,0,0,0|1,0,0]=3 13151 B17R2.193 Fc1ccc(cc1Cl)CSc2ccccn2 62a_100000717365_100011216584 [0,2,0,0,0,0|2,0,0]=4 13152 B17R2.193 Fc1ccc(cc1Cl)CSc2ccccn2 62a_100011216584_100011934319 [0,2,0,0,0,0|2,0,0]=4 13153 B17R2.193 Fc1ccc(cc1Cl)CSc2cccnc2 62a_100000210063_100011934319 [0,2,0,0,0,0|2,0,0]=4 13154 B17R2.193 Fc1ccc(cc1Cl)CSc2cccnc2 62a_100000717365_100000210063 [0,2,0,0,0,0|2,0,0]=4 13155 B17R2.193 Fc1ccc(cc1Cl)CSc2ccncc2 62a_100000717365_100000728582 [0,2,0,0,0,0|2,0,0]=4 13156 B17R2.193 Fc1ccc(cc1Cl)CSc2ccncc2 62a_100000728582_100011934319 [0,2,0,0,0,0|2,0,0]=4 13157 B17R2.193 Fc1ccc(cc1Cl)NCc2ccccc2 207a_100000211060_100015611070 [0,2,0,0,0,0|2,0,0]=4 13158 B17R2.193 Fc1ccc(cc1Cl)NCc2ccccc2 2230a_100000211060_100015291786 [0,2,0,0,0,0|2,0,0]=4 13159 B17R2.193 Fc1ccc(cc1Cl)NCc2ccccc2 270302a_100000211060_100015611070 [0,2,0,0,0,0|2,0,0]=4 13160 B17R2.193 Fc1ccc(cc1Cl)NCc2ccccc2 34a_100000211060_100015291786 [0,2,0,0,0,0|2,0,0]=4 13161 B17R2.193 Fc1ccc(cc1Cl)NCc2ccccc2 7a_100000211060_100000211182 [0,2,0,0,0,0|2,0,0]=4 13162 B17R2.193 Fc1ccc(cc1Cl)OCc2ccccc2 34a_100000211030_100015291786 [0,2,0,0,0,0|1,1,0]=4 13163 B17R2.193 Fc1ccc(cc1Cl)OCc2ccccc2 7a_100000211030_100000211182 [0,2,0,0,0,0|1,1,0]=4 13164 B17R2.193 Fc1ccc(cc1Cl)SCc2ccccc2 62a_100000211182_100011215976 [0,2,0,0,0,0|1,0,0]=3 13165 B17R2.193 Fc1ccc(cc1Cl)SCc2ccccc2 62a_100011215976_100015291786 [0,2,0,0,0,0|1,0,0]=3 13166 B17R2.193 Fc1ccc(cc1Cl)SCc2ccccn2 62a_100000721315_100011215976 [0,2,0,0,0,0|2,0,0]=4 13167 B17R2.193 Fc1ccc(cc1Cl)SCc2ccccn2 62a_100011215976_100000721315 [0,2,0,0,0,0|2,0,0]=4 13168 B17R2.193 Fc1ccc(cc1Cl)SCc2cccnc2 62a_100000741622_100011215976 [0,2,0,0,0,0|2,0,0]=4 13169 B17R2.193 Fc1ccc(cc1Cl)SCc2cccnc2 62a_100011215976_100000741622 [0,2,0,0,0,0|2,0,0]=4 13170 B17R2.193 Fc1ccc(cc1Cl)SCc2ccncc2 62a_100011215976_100015193705 [0,2,0,0,0,0|2,0,0]=4 13171 B17R2.193 Fc1ccc(cc1Cl)SCc2ccncc2 62a_100015193705_100011215976 [0,2,0,0,0,0|2,0,0]=4 13172 B17R2.193 Fc1ccc(cc1F)C#Cc2ccccc2 271570a_100000069678_100000750028 [0,2,0,0,0,0|2,0,0]=4 13173 B17R2.193 Fc1ccc(cc1F)C=Cc2ccccc2 271570a_100102527694_100000750028 [0,2,0,0,0,0|2,0,0]=4 13174 B17R2.193 Fc1ccc(cc1F)CNc2ccccc2 207a_100000106764_100000211062 [0,2,0,0,0,0|2,0,0]=4 13175 B17R2.193 Fc1ccc(cc1F)CNc2ccccc2 270302a_100000106764_100000211062 [0,2,0,0,0,0|2,0,0]=4 13176 B17R2.193 Fc1ccc(cc1F)CNc2ccccc2 34a_100000106764_100000757363 [0,2,0,0,0,0|2,0,0]=4 13177 B17R2.193 Fc1ccc(cc1F)COc2ccccc2 34a_100000210340_100000757363 [0,2,0,0,0,0|1,1,0]=4 13178 B17R2.193 Fc1ccc(cc1F)COc2ccccc2 7a_100000210340_100000757363 [0,2,0,0,0,0|1,1,0]=4 13179 B17R2.193 Fc1ccc(cc1F)CSc2ccccc2 62a_100000719477_100000757363 [0,2,0,0,0,0|1,0,0]=3 13180 B17R2.193 Fc1ccc(cc1F)CSc2ccccc2 62a_100000757363_100000041952 [0,2,0,0,0,0|1,0,0]=3 13181 B17R2.193 Fc1ccc(cc1F)CSc2ccccn2 62a_100000757363_100011216584 [0,2,0,0,0,0|2,0,0]=4 13182 B17R2.193 Fc1ccc(cc1F)CSc2ccccn2 62a_100011216584_100000757363 [0,2,0,0,0,0|2,0,0]=4 13183 B17R2.193 Fc1ccc(cc1F)CSc2cccnc2 62a_100000210063_100000757363 [0,2,0,0,0,0|2,0,0]=4 13184 B17R2.193 Fc1ccc(cc1F)CSc2cccnc2 62a_100000757363_100000210063 [0,2,0,0,0,0|2,0,0]=4 13185 B17R2.193 Fc1ccc(cc1F)CSc2ccncc2 62a_100000728582_100000757363 [0,2,0,0,0,0|2,0,0]=4 13186 B17R2.193 Fc1ccc(cc1F)CSc2ccncc2 62a_100000757363_100000728582 [0,2,0,0,0,0|2,0,0]=4 13187 B17R2.193 Fc1ccc(cc1F)NCc2ccccc2 207a_100000210724_100015611070 [0,2,0,0,0,0|2,0,0]=4 13188 B17R2.193 Fc1ccc(cc1F)NCc2ccccc2 2230a_100000210724_100015291786 [0,2,0,0,0,0|2,0,0]=4 13189 B17R2.193 Fc1ccc(cc1F)NCc2ccccc2 270302a_100000210724_100015611070 [0,2,0,0,0,0|2,0,0]=4 13190 B17R2.193 Fc1ccc(cc1F)NCc2ccccc2 34a_100000210724_100015291786 [0,2,0,0,0,0|2,0,0]=4 13191 B17R2.193 Fc1ccc(cc1F)NCc2ccccc2 7a_100000210724_100000211182 [0,2,0,0,0,0|2,0,0]=4 13192 B17R2.193 Fc1ccc(cc1F)OCc2ccccc2 34a_100000181275_100015291786 [0,2,0,0,0,0|1,1,0]=4 13193 B17R2.193 Fc1ccc(cc1F)OCc2ccccc2 7a_100000181275_100000211182 [0,2,0,0,0,0|1,1,0]=4 13194 B17R2.193 Fc1ccc(cc1F)SCc2ccccc2 62a_100000211182_100000703953 [0,2,0,0,0,0|1,0,0]=3 13195 B17R2.193 Fc1ccc(cc1F)SCc2ccccc2 62a_100000703953_100015291786 [0,2,0,0,0,0|1,0,0]=3 13196 B17R2.193 Fc1ccc(cc1F)SCc2ccccn2 62a_100000703953_100000721315 [0,2,0,0,0,0|2,0,0]=4 13197 B17R2.193 Fc1ccc(cc1F)SCc2ccccn2 62a_100000721315_100000703953 [0,2,0,0,0,0|2,0,0]=4 13198 B17R2.193 Fc1ccc(cc1F)SCc2cccnc2 62a_100000703953_100000741622 [0,2,0,0,0,0|2,0,0]=4 13199 B17R2.193 Fc1ccc(cc1F)SCc2cccnc2 62a_100000741622_100000703953 [0,2,0,0,0,0|2,0,0]=4 13200 B17R2.193 Fc1ccc(cc1F)SCc2ccncc2 62a_100000703953_100015193705 [0,2,0,0,0,0|2,0,0]=4 13201 B17R2.193 Fc1ccc(cc1F)SCc2ccncc2 62a_100015193705_100000703953 [0,2,0,0,0,0|2,0,0]=4 13202 B17R2.193 Fc1ccc(cc1I)CNc2ccccc2 207a_100000106764_100010188209 [0,2,0,0,0,0|2,0,0]=4 13203 B17R2.193 Fc1ccc(cc1I)CNc2ccccc2 34a_100000106764_100010188208 [0,2,0,0,0,0|2,0,0]=4 13204 B17R2.193 Fc1ccc(cc1I)COc2ccccc2 34a_100000210340_100010188208 [0,2,0,0,0,0|1,1,0]=4 13205 B17R2.193 Fc1ccc(cc1I)COc2ccccc2 7a_100000210340_100010188208 [0,2,0,0,0,0|1,1,0]=4 13206 B17R2.193 Fc1ccc(cc1I)CSc2ccccc2 62a_100000719477_100010188208 [0,2,0,0,0,0|1,0,0]=3 13207 B17R2.193 Fc1ccc(cc1I)CSc2ccccc2 62a_100010188208_100000041952 [0,2,0,0,0,0|1,0,0]=3 13208 B17R2.193 Fc1ccc(cc1I)CSc2ccccn2 62a_100010188208_100011216584 [0,2,0,0,0,0|2,0,0]=4 13209 B17R2.193 Fc1ccc(cc1I)CSc2ccccn2 62a_100011216584_100010188208 [0,2,0,0,0,0|2,0,0]=4 13210 B17R2.193 Fc1ccc(cc1I)CSc2cccnc2 62a_100000210063_100010188208 [0,2,0,0,0,0|2,0,0]=4 13211 B17R2.193 Fc1ccc(cc1I)CSc2cccnc2 62a_100010188208_100000210063 [0,2,0,0,0,0|2,0,0]=4 13212 B17R2.193 Fc1ccc(cc1I)CSc2ccncc2 62a_100000728582_100010188208 [0,2,0,0,0,0|2,0,0]=4 13213 B17R2.193 Fc1ccc(cc1I)CSc2ccncc2 62a_100010188208_100000728582 [0,2,0,0,0,0|2,0,0]=4 13214 B17R2.193 Fc1ccc(cc1I)NCc2ccccc2 207a_114828291077_100015611070 [0,2,0,0,0,0|2,0,0]=4 13215 B17R2.193 Fc1ccc(cc1I)NCc2ccccc2 270302a_114828291077_100015611070 [0,2,0,0,0,0|2,0,0]=4 13216 B17R2.193 Fc1ccc(cc1I)NCc2ccccc2 34a_114828291077_100015291786 [0,2,0,0,0,0|2,0,0]=4 13217 B17R2.193 Fc1ccc(cc1I)NCc2ccccc2 7a_114828291077_100000211182 [0,2,0,0,0,0|2,0,0]=4 13218 B17R2.193 Fc1nc(ccc1Br)SCc2ccccc2 62a_100000211182_100010134343 [0,2,0,0,0,0|2,0,0]=4 13219 B17R2.193 Fc1nc(ccc1Br)SCc2ccccc2 62a_100010134343_100015291786 [0,2,0,0,0,0|2,0,0]=4 13220 B17R2.193 Fc1ncc(cc1Br)CSc2ccccc2 62a_100000719477_200010066439 [0,2,0,0,0,0|2,0,0]=4 13221 B17R2.193 Fc1ncc(cc1Br)CSc2ccccc2 62a_200010066439_100000041952 [0,2,0,0,0,0|2,0,0]=4 13222 B17R2.193 Nc1cc(ccc1Br)C#Cc2ccccc2 271570a_100000069678_100000750456 [0,2,0,0,0,0|2,0,0]=4 13223 B17R2.193 Nc1cc(ccc1Br)C=Cc2ccccc2 271570a_100102527694_100000750456 [0,2,0,0,0,0|2,0,0]=4 13224 B17R2.193 Nc1cc(ccc1Br)OCc2ccccc2 34a_100011999798_100015291786 [0,2,0,0,0,0|1,1,0]=4 13225 B17R2.193 Nc1cc(ccc1Br)OCc2ccccc2 7a_100011999798_100000211182 [0,2,0,0,0,0|1,1,0]=4 13226 B17R2.193 Nc1cc(ccc1Br)SCc2ccccc2 62a_100000211182_100000750456 [0,2,0,0,0,0|1,0,0]=3 13227 B17R2.193 Nc1cc(ccc1Br)SCc2ccccc2 62a_100000750456_100015291786 [0,2,0,0,0,0|1,0,0]=3 13228 B17R2.193 Nc1cc(ccc1Br)SCc2ccccn2 62a_100000721315_100000750456 [0,2,0,0,0,0|2,0,0]=4 13229 B17R2.193 Nc1cc(ccc1Br)SCc2ccccn2 62a_100000750456_100000721315 [0,2,0,0,0,0|2,0,0]=4 13230 B17R2.193 Nc1cc(ccc1Br)SCc2cccnc2 62a_100000741622_100000750456 [0,2,0,0,0,0|2,0,0]=4 13231 B17R2.193 Nc1cc(ccc1Br)SCc2cccnc2 62a_100000750456_100000741622 [0,2,0,0,0,0|2,0,0]=4 13232 B17R2.193 Nc1cc(ccc1Br)SCc2ccncc2 62a_100000750456_100015193705 [0,2,0,0,0,0|2,0,0]=4 13233 B17R2.193 Nc1cc(ccc1Br)SCc2ccncc2 62a_100015193705_100000750456 [0,2,0,0,0,0|2,0,0]=4 13234 B17R2.193 Nc1cc(ccc1Cl)C#Cc2ccccc2 271570a_100000069678_200000761891 [0,2,0,0,0,0|2,0,0]=4 13235 B17R2.193 Nc1cc(ccc1Cl)C=Cc2ccccc2 271570a_100102527694_200000761891 [0,2,0,0,0,0|2,0,0]=4 13236 B17R2.193 Nc1cc(ccc1Cl)OCc2ccccc2 34a_100011934297_100015291786 [0,2,0,0,0,0|1,1,0]=4 13237 B17R2.193 Nc1cc(ccc1Cl)SCc2ccccc2 62a_100000211182_200000761891 [0,2,0,0,0,0|1,0,0]=3 13238 B17R2.193 Nc1cc(ccc1Cl)SCc2ccccc2 62a_200000761891_100015291786 [0,2,0,0,0,0|1,0,0]=3 13239 B17R2.193 Nc1cc(ccc1Cl)SCc2ccccn2 62a_100000721315_200000761891 [0,2,0,0,0,0|2,0,0]=4 13240 B17R2.193 Nc1cc(ccc1Cl)SCc2ccccn2 62a_200000761891_100000721315 [0,2,0,0,0,0|2,0,0]=4 13241 B17R2.193 Nc1cc(ccc1Cl)SCc2cccnc2 62a_100000741622_200000761891 [0,2,0,0,0,0|2,0,0]=4 13242 B17R2.193 Nc1cc(ccc1Cl)SCc2cccnc2 62a_200000761891_100000741622 [0,2,0,0,0,0|2,0,0]=4 13243 B17R2.193 Nc1cc(ccc1Cl)SCc2ccncc2 62a_100015193705_200000761891 [0,2,0,0,0,0|2,0,0]=4 13244 B17R2.193 Nc1cc(ccc1Cl)SCc2ccncc2 62a_200000761891_100015193705 [0,2,0,0,0,0|2,0,0]=4 13245 B17R2.193 Nc1cc(ccc1F)C#Cc2ccccc2 271570a_100000069678_100000740924 [0,2,0,0,0,0|2,0,0]=4 13246 B17R2.193 Nc1cc(ccc1F)C=Cc2ccccc2 271570a_100102527694_100000740924 [0,2,0,0,0,0|2,0,0]=4 13247 B17R2.193 Nc1cc(ccc1F)OCc2ccccc2 34a_100012017239_100015291786 [0,2,0,0,0,0|1,1,0]=4 13248 B17R2.193 Nc1cc(ccc1F)OCc2ccccc2 7a_100012017239_100000211182 [0,2,0,0,0,0|1,1,0]=4 13249 B17R2.193 Nc1cc(ccc1F)SCc2ccccc2 62a_100000211182_100000740924 [0,2,0,0,0,0|1,0,0]=3 13250 B17R2.193 Nc1cc(ccc1F)SCc2ccccc2 62a_100000740924_100015291786 [0,2,0,0,0,0|1,0,0]=3 13251 B17R2.193 Nc1cc(ccc1F)SCc2ccccn2 62a_100000721315_100000740924 [0,2,0,0,0,0|2,0,0]=4 13252 B17R2.193 Nc1cc(ccc1F)SCc2ccccn2 62a_100000740924_100000721315 [0,2,0,0,0,0|2,0,0]=4 13253 B17R2.193 Nc1cc(ccc1F)SCc2cccnc2 62a_100000740924_100000741622 [0,2,0,0,0,0|2,0,0]=4 13254 B17R2.193 Nc1cc(ccc1F)SCc2cccnc2 62a_100000741622_100000740924 [0,2,0,0,0,0|2,0,0]=4 13255 B17R2.193 Nc1cc(ccc1F)SCc2ccncc2 62a_100000740924_100015193705 [0,2,0,0,0,0|2,0,0]=4 13256 B17R2.193 Nc1cc(ccc1F)SCc2ccncc2 62a_100015193705_100000740924 [0,2,0,0,0,0|2,0,0]=4 13257 B17R2.193 Nc1cc(ccc1O)C#Cc2ccccc2 271570a_100000069678_100000752626 [0,2,0,0,0,0|2,0,0]=4 13258 B17R2.193 Nc1cc(ccc1O)C=Cc2ccccc2 271570a_100102527694_100000752626 [0,2,0,0,0,0|2,0,0]=4 13259 B17R2.193 Nc1cc(ccc1O)SCc2ccccc2 62a_100000211182_100000752626 [0,2,0,0,0,0|1,0,0]=3 13260 B17R2.193 Nc1cc(ccc1O)SCc2ccccc2 62a_100000752626_100015291786 [0,2,0,0,0,0|1,0,0]=3 13261 B17R2.193 Nc1cc(ccc1O)SCc2ccccn2 62a_100000721315_100000752626 [0,2,0,0,0,0|2,0,0]=4 13262 B17R2.193 Nc1cc(ccc1O)SCc2ccccn2 62a_100000752626_100000721315 [0,2,0,0,0,0|2,0,0]=4 13263 B17R2.193 Nc1cc(ccc1O)SCc2cccnc2 62a_100000741622_100000752626 [0,2,0,0,0,0|2,0,0]=4 13264 B17R2.193 Nc1cc(ccc1O)SCc2cccnc2 62a_100000752626_100000741622 [0,2,0,0,0,0|2,0,0]=4 13265 B17R2.193 Nc1cc(ccc1O)SCc2ccncc2 62a_100000752626_100015193705 [0,2,0,0,0,0|2,0,0]=4 13266 B17R2.193 Nc1cc(ccc1O)SCc2ccncc2 62a_100015193705_100000752626 [0,2,0,0,0,0|2,0,0]=4 13267 B17R2.193 Nc1cc(cnc1Cl)SCc2ccccc2 62a_100000211182_100009828400 [0,2,0,0,0,0|2,0,0]=4 13268 B17R2.193 Nc1cc(cnc1Cl)SCc2ccccc2 62a_100009828400_100015291786 [0,2,0,0,0,0|2,0,0]=4 13269 B17R2.193 Nc1cc(cnc1F)SCc2ccccc2 62a_100000211182_100009816798 [0,2,0,0,0,0|2,0,0]=4 13270 B17R2.193 Nc1cc(cnc1F)SCc2ccccc2 62a_100009816798_100015291786 [0,2,0,0,0,0|2,0,0]=4 13271 B17R2.193 Nc1cc(cnc1N)SCc2ccccc2 62a_100000184470_100015291786 [0,2,0,0,0,0|2,0,0]=4 13272 B17R2.193 Nc1cc(cnc1N)SCc2ccccc2 62a_100000211182_100000184470 [0,2,0,0,0,0|2,0,0]=4 13273 B17R2.193 Nc1cc(cnc1O)SCc2ccccc2 62a_100000211182_100000743729 [0,2,0,0,0,0|2,0,0]=4 13274 B17R2.193 Nc1cc(cnc1O)SCc2ccccc2 62a_100000743729_100015291786 [0,2,0,0,0,0|2,0,0]=4 13275 B17R2.193 Nc1cc(ncc1F)SCc2ccccc2 62a_100000126464_100015291786 [0,2,0,0,0,0|2,0,0]=4 13276 B17R2.193 Nc1cc(ncc1F)SCc2ccccc2 62a_100000211182_100000126464 [0,2,0,0,0,0|2,0,0]=4 13277 B17R2.193 Nc1cc(ncc1O)SCc2ccccc2 62a_100000211182_100009819941 [0,2,0,0,0,0|2,0,0]=4 13278 B17R2.193 Nc1cc(ncc1O)SCc2ccccc2 62a_100009819941_100015291786 [0,2,0,0,0,0|2,0,0]=4 13279 B17R2.193 Nc1ccc(cc1Br)C#Cc2ccccc2 271570a_100000069678_100000750455 [0,2,0,0,0,0|2,0,0]=4 13280 B17R2.193 Nc1ccc(cc1Br)C=Cc2ccccc2 271570a_100102527694_100000750455 [0,2,0,0,0,0|2,0,0]=4 13281 B17R2.193 Nc1ccc(cc1Br)OCc2ccccc2 34a_100012001276_100015291786 [0,2,0,0,0,0|1,1,0]=4 13282 B17R2.193 Nc1ccc(cc1Br)OCc2ccccc2 7a_100012001276_100000211182 [0,2,0,0,0,0|1,1,0]=4 13283 B17R2.193 Nc1ccc(cc1Br)SCc2ccccc2 62a_100000211182_100000750455 [0,2,0,0,0,0|1,0,0]=3 13284 B17R2.193 Nc1ccc(cc1Br)SCc2ccccc2 62a_100000750455_100015291786 [0,2,0,0,0,0|1,0,0]=3 13285 B17R2.193 Nc1ccc(cc1Br)SCc2ccccn2 62a_100000721315_100000750455 [0,2,0,0,0,0|2,0,0]=4 13286 B17R2.193 Nc1ccc(cc1Br)SCc2ccccn2 62a_100000750455_100000721315 [0,2,0,0,0,0|2,0,0]=4 13287 B17R2.193 Nc1ccc(cc1Br)SCc2cccnc2 62a_100000741622_100000750455 [0,2,0,0,0,0|2,0,0]=4 13288 B17R2.193 Nc1ccc(cc1Br)SCc2cccnc2 62a_100000750455_100000741622 [0,2,0,0,0,0|2,0,0]=4 13289 B17R2.193 Nc1ccc(cc1Br)SCc2ccncc2 62a_100000750455_100015193705 [0,2,0,0,0,0|2,0,0]=4 13290 B17R2.193 Nc1ccc(cc1Br)SCc2ccncc2 62a_100015193705_100000750455 [0,2,0,0,0,0|2,0,0]=4 13291 B17R2.193 Nc1ccc(cc1Cl)C#Cc2ccccc2 271570a_100000069678_100011218065 [0,2,0,0,0,0|2,0,0]=4 13292 B17R2.193 Nc1ccc(cc1Cl)C=Cc2ccccc2 271570a_100102527694_100011218065 [0,2,0,0,0,0|2,0,0]=4 13293 B17R2.193 Nc1ccc(cc1Cl)OCc2ccccc2 34a_100011215599_100015291786 [0,2,0,0,0,0|1,1,0]=4 13294 B17R2.193 Nc1ccc(cc1Cl)OCc2ccccc2 7a_100011215599_100000211182 [0,2,0,0,0,0|1,1,0]=4 13295 B17R2.193 Nc1ccc(cc1Cl)SCc2ccccc2 62a_100000211182_100011218065 [0,2,0,0,0,0|1,0,0]=3 13296 B17R2.193 Nc1ccc(cc1Cl)SCc2ccccc2 62a_100011218065_100015291786 [0,2,0,0,0,0|1,0,0]=3 13297 B17R2.193 Nc1ccc(cc1Cl)SCc2ccccn2 62a_100000721315_100011218065 [0,2,0,0,0,0|2,0,0]=4 13298 B17R2.193 Nc1ccc(cc1Cl)SCc2ccccn2 62a_100011218065_100000721315 [0,2,0,0,0,0|2,0,0]=4 13299 B17R2.193 Nc1ccc(cc1Cl)SCc2cccnc2 62a_100000741622_100011218065 [0,2,0,0,0,0|2,0,0]=4 13300 B17R2.193 Nc1ccc(cc1Cl)SCc2cccnc2 62a_100011218065_100000741622 [0,2,0,0,0,0|2,0,0]=4 13301 B17R2.193 Nc1ccc(cc1Cl)SCc2ccncc2 62a_100011218065_100015193705 [0,2,0,0,0,0|2,0,0]=4 13302 B17R2.193 Nc1ccc(cc1Cl)SCc2ccncc2 62a_100015193705_100011218065 [0,2,0,0,0,0|2,0,0]=4 13303 B17R2.193 Nc1ccc(cc1F)C#Cc2ccccc2 271570a_100000069678_100011215594 [0,2,0,0,0,0|2,0,0]=4 13304 B17R2.193 Nc1ccc(cc1F)C=Cc2ccccc2 271570a_100102527694_100011215594 [0,2,0,0,0,0|2,0,0]=4 13305 B17R2.193 Nc1ccc(cc1F)OCc2ccccc2 34a_100000759473_100015291786 [0,2,0,0,0,0|1,1,0]=4 13306 B17R2.193 Nc1ccc(cc1F)OCc2ccccc2 7a_100000759473_100000211182 [0,2,0,0,0,0|1,1,0]=4 13307 B17R2.193 Nc1ccc(cc1F)SCc2ccccc2 62a_100000211182_100011215594 [0,2,0,0,0,0|1,0,0]=3 13308 B17R2.193 Nc1ccc(cc1F)SCc2ccccc2 62a_100011215594_100015291786 [0,2,0,0,0,0|1,0,0]=3 13309 B17R2.193 Nc1ccc(cc1F)SCc2ccccn2 62a_100000721315_100011215594 [0,2,0,0,0,0|2,0,0]=4 13310 B17R2.193 Nc1ccc(cc1F)SCc2ccccn2 62a_100011215594_100000721315 [0,2,0,0,0,0|2,0,0]=4 13311 B17R2.193 Nc1ccc(cc1F)SCc2cccnc2 62a_100000741622_100011215594 [0,2,0,0,0,0|2,0,0]=4 13312 B17R2.193 Nc1ccc(cc1F)SCc2cccnc2 62a_100011215594_100000741622 [0,2,0,0,0,0|2,0,0]=4 13313 B17R2.193 Nc1ccc(cc1F)SCc2ccncc2 62a_100011215594_100015193705 [0,2,0,0,0,0|2,0,0]=4 13314 B17R2.193 Nc1ccc(cc1F)SCc2ccncc2 62a_100015193705_100011215594 [0,2,0,0,0,0|2,0,0]=4 13315 B17R2.193 Nc1ccc(cc1I)OCc2ccccc2 34a_100010084370_100015291786 [0,2,0,0,0,0|1,1,0]=4 13316 B17R2.193 Nc1ccc(cc1I)OCc2ccccc2 7a_100010084370_100000211182 [0,2,0,0,0,0|1,1,0]=4 13317 B17R2.193 Nc1ccc(cc1N)C#Cc2ccccc2 271570a_100000069678_100000741789 [0,2,0,0,0,0|2,0,0]=4 13318 B17R2.193 Nc1ccc(cc1N)C=Cc2ccccc2 271570a_100102527694_100000741789 [0,2,0,0,0,0|2,0,0]=4 13319 B17R2.193 Nc1ccc(cc1N)OCc2ccccc2 34a_100025771000_100015291786 [0,2,0,0,0,0|1,1,0]=4 13320 B17R2.193 Nc1ccc(cc1N)SCc2ccccc2 62a_100000211182_100011534411 [0,2,0,0,0,0|1,0,0]=3 13321 B17R2.193 Nc1ccc(cc1N)SCc2ccccc2 62a_100000741789_100015291786 [0,2,0,0,0,0|1,0,0]=3 13322 B17R2.193 Nc1ccc(cc1N)SCc2ccccn2 62a_100000721315_100011534411 [0,2,0,0,0,0|2,0,0]=4 13323 B17R2.193 Nc1ccc(cc1N)SCc2ccccn2 62a_100000741789_100000721315 [0,2,0,0,0,0|2,0,0]=4 13324 B17R2.193 Nc1ccc(cc1N)SCc2cccnc2 62a_100000741622_100011534411 [0,2,0,0,0,0|2,0,0]=4 13325 B17R2.193 Nc1ccc(cc1N)SCc2cccnc2 62a_100000741789_100000741622 [0,2,0,0,0,0|2,0,0]=4 13326 B17R2.193 Nc1ccc(cc1N)SCc2ccncc2 62a_100000741789_100015193705 [0,2,0,0,0,0|2,0,0]=4 13327 B17R2.193 Nc1ccc(cc1N)SCc2ccncc2 62a_100015193705_100011534411 [0,2,0,0,0,0|2,0,0]=4 13328 B17R2.193 Nc1ccc(cc1O)C#Cc2ccccc2 271570a_100000069678_100000739049 [0,2,0,0,0,0|2,0,0]=4 13329 B17R2.193 Nc1ccc(cc1O)C=Cc2ccccc2 271570a_100102527694_100000739049 [0,2,0,0,0,0|2,0,0]=4 13330 B17R2.193 Nc1ccc(cc1O)OCc2ccccc2 271570a_203496583355_200012355415 [0,2,0,0,0,0|1,1,0]=4 13331 B17R2.193 Nc1ccc(cc1O)SCc2ccccc2 62a_100000211182_100000739049 [0,2,0,0,0,0|1,0,0]=3 13332 B17R2.193 Nc1ccc(cc1O)SCc2ccccc2 62a_100000739049_100015291786 [0,2,0,0,0,0|1,0,0]=3 13333 B17R2.193 Nc1ccc(cc1O)SCc2ccccn2 62a_100000721315_100000739049 [0,2,0,0,0,0|2,0,0]=4 13334 B17R2.193 Nc1ccc(cc1O)SCc2ccccn2 62a_100000739049_100000721315 [0,2,0,0,0,0|2,0,0]=4 13335 B17R2.193 Nc1ccc(cc1O)SCc2cccnc2 62a_100000739049_100000741622 [0,2,0,0,0,0|2,0,0]=4 13336 B17R2.193 Nc1ccc(cc1O)SCc2cccnc2 62a_100000741622_100000739049 [0,2,0,0,0,0|2,0,0]=4 13337 B17R2.193 Nc1ccc(cc1O)SCc2ccncc2 62a_100000739049_100015193705 [0,2,0,0,0,0|2,0,0]=4 13338 B17R2.193 Nc1ccc(cc1O)SCc2ccncc2 62a_100015193705_100000739049 [0,2,0,0,0,0|2,0,0]=4 13339 B17R2.193 Nc1ccc(nc1Cl)SCc2ccccc2 62a_100000211182_200010233646 [0,2,0,0,0,0|2,0,0]=4 13340 B17R2.193 Nc1ccc(nc1Cl)SCc2ccccc2 62a_200010233646_100015291786 [0,2,0,0,0,0|2,0,0]=4 13341 B17R2.193 Nc1ccc(nc1F)SCc2ccccc2 62a_100000211182_100009856439 [0,2,0,0,0,0|2,0,0]=4 13342 B17R2.193 Nc1ccc(nc1F)SCc2ccccc2 62a_100009856439_100015291786 [0,2,0,0,0,0|2,0,0]=4 13343 B17R2.193 Nc1ccc(nc1N)SCc2ccccc2 62a_100000747239_100015291786 [0,2,0,0,0,0|2,0,0]=4 13344 B17R2.193 Nc1ccc(nc1O)SCc2ccccc2 62a_100000718904_100015291786 [0,2,0,0,0,0|2,0,0]=4 13345 B17R2.193 Nc1cnc(cc1N)SCc2ccccc2 62a_100000067514_100015291786 [0,2,0,0,0,0|2,0,0]=4 13346 B17R2.193 Nc1cnc(cc1N)SCc2ccccc2 62a_100000211182_100000067514 [0,2,0,0,0,0|2,0,0]=4 13347 B17R2.193 Nc1nc(ccc1F)SCc2ccccc2 62a_100000211182_100016091773 [0,2,0,0,0,0|2,0,0]=4 13348 B17R2.193 Nc1nc(ccc1F)SCc2ccccc2 62a_100016091773_100015291786 [0,2,0,0,0,0|2,0,0]=4 13349 B17R2.193 Nc1nc(ccc1O)SCc2ccccc2 62a_100000211182_100000685527 [0,2,0,0,0,0|2,0,0]=4 13350 B17R2.193 Nc1nc(ccc1O)SCc2ccccc2 62a_100000685527_100015291786 [0,2,0,0,0,0|2,0,0]=4 13351 B17R2.193 Nc1ncc(cc1Br)SCc2ccccc2 62a_100000211182_100012353989 [0,2,0,0,0,0|2,0,0]=4 13352 B17R2.193 Nc1ncc(cc1Br)SCc2ccccc2 62a_100012353989_100015291786 [0,2,0,0,0,0|2,0,0]=4 13353 B17R2.193 Nc1ncc(cc1Cl)SCc2ccccc2 62a_100000211182_100012356299 [0,2,0,0,0,0|2,0,0]=4 13354 B17R2.193 Nc1ncc(cc1Cl)SCc2ccccc2 62a_100012356299_100015291786 [0,2,0,0,0,0|2,0,0]=4 13355 B17R2.193 Nc1ncc(cc1F)SCc2ccccc2 62a_100000211182_100000693161 [0,2,0,0,0,0|2,0,0]=4 13356 B17R2.193 Nc1ncc(cc1F)SCc2ccccc2 62a_100000693161_100015291786 [0,2,0,0,0,0|2,0,0]=4 13357 B17R2.193 Nc1ncc(cc1O)SCc2ccccc2 62a_100000211182_100009819042 [0,2,0,0,0,0|2,0,0]=4 13358 B17R2.193 Nc1ncc(cc1O)SCc2ccccc2 62a_100009819042_100015291786 [0,2,0,0,0,0|2,0,0]=4 13359 B17R2.193 O=c1[nH]cc(cc1Br)SCc2ccccc2 62a_100000211182_100010125443 [0,2,0,0,0,0|2,0,0]=4 13360 B17R2.193 O=c1[nH]cc(cc1Br)SCc2ccccc2 62a_100010125443_100015291786 [0,2,0,0,0,0|2,0,0]=4 13361 B17R2.193 O=c1[nH]cc(cc1F)SCc2ccccc2 62a_100000211182_100000723523 [0,2,0,0,0,0|2,0,0]=4 13362 B17R2.193 O=c1[nH]cc(cc1F)SCc2ccccc2 62a_100000723523_100015291786 [0,2,0,0,0,0|2,0,0]=4 13363 B17R2.193 O=c1[nH]cc(cc1O)SCc2ccccc2 62a_100000211182_100009814561 [0,2,0,0,0,0|2,0,0]=4 13364 B17R2.193 O=c1cc(occ1O)CSc2ccccc2 62a_100000719477_100000010605 [0,2,0,0,0,0|2,0,0]=4 13365 B17R2.193 Oc1cc(ccc1Br)C#Cc2ccccc2 271570a_100000069678_100012356990 [0,2,0,0,0,0|2,0,0]=4 13366 B17R2.193 Oc1cc(ccc1Br)C=Cc2ccccc2 271570a_100102527694_100012356990 [0,2,0,0,0,0|2,0,0]=4 13367 B17R2.193 Oc1cc(ccc1Br)SCc2ccccc2 62a_100000211182_100012356990 [0,2,0,0,0,0|1,0,0]=3 13368 B17R2.193 Oc1cc(ccc1Br)SCc2ccccc2 62a_100012356990_100015291786 [0,2,0,0,0,0|1,0,0]=3 13369 B17R2.193 Oc1cc(ccc1Br)SCc2ccccn2 62a_100000721315_100012356990 [0,2,0,0,0,0|2,0,0]=4 13370 B17R2.193 Oc1cc(ccc1Br)SCc2ccccn2 62a_100012356990_100000721315 [0,2,0,0,0,0|2,0,0]=4 13371 B17R2.193 Oc1cc(ccc1Br)SCc2cccnc2 62a_100000741622_100012356990 [0,2,0,0,0,0|2,0,0]=4 13372 B17R2.193 Oc1cc(ccc1Br)SCc2cccnc2 62a_100012356990_100000741622 [0,2,0,0,0,0|2,0,0]=4 13373 B17R2.193 Oc1cc(ccc1Br)SCc2ccncc2 62a_100012356990_100015193705 [0,2,0,0,0,0|2,0,0]=4 13374 B17R2.193 Oc1cc(ccc1Br)SCc2ccncc2 62a_100015193705_100012356990 [0,2,0,0,0,0|2,0,0]=4 13375 B17R2.193 Oc1cc(ccc1Cl)C#Cc2ccccc2 271570a_100000069678_100011356854 [0,2,0,0,0,0|2,0,0]=4 13376 B17R2.193 Oc1cc(ccc1Cl)C=Cc2ccccc2 271570a_100102527694_100011356854 [0,2,0,0,0,0|2,0,0]=4 13377 B17R2.193 Oc1cc(ccc1Cl)NCc2ccccc2 270302a_100011934209_100015611070 [0,2,0,0,0,0|2,0,0]=4 13378 B17R2.193 Oc1cc(ccc1Cl)NCc2ccccc2 34a_100011934209_100015291786 [0,2,0,0,0,0|2,0,0]=4 13379 B17R2.193 Oc1cc(ccc1Cl)SCc2ccccc2 62a_100000211182_100011356854 [0,2,0,0,0,0|1,0,0]=3 13380 B17R2.193 Oc1cc(ccc1Cl)SCc2ccccc2 62a_100011356854_100015291786 [0,2,0,0,0,0|1,0,0]=3 13381 B17R2.193 Oc1cc(ccc1Cl)SCc2ccccn2 62a_100000721315_100011356854 [0,2,0,0,0,0|2,0,0]=4 13382 B17R2.193 Oc1cc(ccc1Cl)SCc2ccccn2 62a_100011356854_100000721315 [0,2,0,0,0,0|2,0,0]=4 13383 B17R2.193 Oc1cc(ccc1Cl)SCc2cccnc2 62a_100000741622_100011356854 [0,2,0,0,0,0|2,0,0]=4 13384 B17R2.193 Oc1cc(ccc1Cl)SCc2cccnc2 62a_100011356854_100000741622 [0,2,0,0,0,0|2,0,0]=4 13385 B17R2.193 Oc1cc(ccc1Cl)SCc2ccncc2 62a_100011356854_100015193705 [0,2,0,0,0,0|2,0,0]=4 13386 B17R2.193 Oc1cc(ccc1Cl)SCc2ccncc2 62a_100015193705_100011356854 [0,2,0,0,0,0|2,0,0]=4 13387 B17R2.193 Oc1cc(ccc1F)C#Cc2ccccc2 271570a_100000069678_100000686035 [0,2,0,0,0,0|2,0,0]=4 13388 B17R2.193 Oc1cc(ccc1F)C=Cc2ccccc2 271570a_100102527694_100000686035 [0,2,0,0,0,0|2,0,0]=4 13389 B17R2.193 Oc1cc(ccc1F)NCc2ccccc2 270302a_100012017398_100015611070 [0,2,0,0,0,0|2,0,0]=4 13390 B17R2.193 Oc1cc(ccc1F)NCc2ccccc2 34a_100012017398_100015291786 [0,2,0,0,0,0|2,0,0]=4 13391 B17R2.193 Oc1cc(ccc1F)NCc2ccccc2 7a_100012017398_100000211182 [0,2,0,0,0,0|2,0,0]=4 13392 B17R2.193 Oc1cc(ccc1F)SCc2ccccc2 62a_100000211182_100000686035 [0,2,0,0,0,0|1,0,0]=3 13393 B17R2.193 Oc1cc(ccc1F)SCc2ccccc2 62a_100000686035_100015291786 [0,2,0,0,0,0|1,0,0]=3 13394 B17R2.193 Oc1cc(ccc1F)SCc2ccccn2 62a_100000686035_100000721315 [0,2,0,0,0,0|2,0,0]=4 13395 B17R2.193 Oc1cc(ccc1F)SCc2ccccn2 62a_100000721315_100000686035 [0,2,0,0,0,0|2,0,0]=4 13396 B17R2.193 Oc1cc(ccc1F)SCc2cccnc2 62a_100000686035_100000741622 [0,2,0,0,0,0|2,0,0]=4 13397 B17R2.193 Oc1cc(ccc1F)SCc2cccnc2 62a_100000741622_100000686035 [0,2,0,0,0,0|2,0,0]=4 13398 B17R2.193 Oc1cc(ccc1F)SCc2ccncc2 62a_100000686035_100015193705 [0,2,0,0,0,0|2,0,0]=4 13399 B17R2.193 Oc1cc(ccc1F)SCc2ccncc2 62a_100015193705_100000686035 [0,2,0,0,0,0|2,0,0]=4 13400 B17R2.193 Oc1cc(cnc1F)SCc2ccccc2 62a_100000211182_100009819871 [0,2,0,0,0,0|2,0,0]=4 13401 B17R2.193 Oc1cc(cnc1F)SCc2ccccc2 62a_100009819871_100015291786 [0,2,0,0,0,0|2,0,0]=4 13402 B17R2.193 Oc1cc(ncc1F)SCc2ccccc2 62a_100000211182_100009854642 [0,2,0,0,0,0|2,0,0]=4 13403 B17R2.193 Oc1cc(ncc1F)SCc2ccccc2 62a_100009854642_100015291786 [0,2,0,0,0,0|2,0,0]=4 13404 B17R2.193 Oc1ccc(cc1Br)C#Cc2ccccc2 271570a_100000069678_100012361655 [0,2,0,0,0,0|2,0,0]=4 13405 B17R2.193 Oc1ccc(cc1Br)C=Cc2ccccc2 271570a_100102527694_100012361655 [0,2,0,0,0,0|2,0,0]=4 13406 B17R2.193 Oc1ccc(cc1Br)NCc2ccccc2 270302a_100011534360_100015611070 [0,2,0,0,0,0|2,0,0]=4 13407 B17R2.193 Oc1ccc(cc1Br)NCc2ccccc2 34a_100011534360_100015291786 [0,2,0,0,0,0|2,0,0]=4 13408 B17R2.193 Oc1ccc(cc1Br)SCc2ccccc2 62a_100000211182_100012361655 [0,2,0,0,0,0|1,0,0]=3 13409 B17R2.193 Oc1ccc(cc1Br)SCc2ccccc2 62a_100012361655_100015291786 [0,2,0,0,0,0|1,0,0]=3 13410 B17R2.193 Oc1ccc(cc1Br)SCc2ccccn2 62a_100000721315_100012361655 [0,2,0,0,0,0|2,0,0]=4 13411 B17R2.193 Oc1ccc(cc1Br)SCc2ccccn2 62a_100012361655_100000721315 [0,2,0,0,0,0|2,0,0]=4 13412 B17R2.193 Oc1ccc(cc1Br)SCc2cccnc2 62a_100000741622_100012361655 [0,2,0,0,0,0|2,0,0]=4 13413 B17R2.193 Oc1ccc(cc1Br)SCc2cccnc2 62a_100012361655_100000741622 [0,2,0,0,0,0|2,0,0]=4 13414 B17R2.193 Oc1ccc(cc1Br)SCc2ccncc2 62a_100012361655_100015193705 [0,2,0,0,0,0|2,0,0]=4 13415 B17R2.193 Oc1ccc(cc1Br)SCc2ccncc2 62a_100015193705_100012361655 [0,2,0,0,0,0|2,0,0]=4 13416 B17R2.193 Oc1ccc(cc1Cl)C#Cc2ccccc2 271570a_100000069678_100012360047 [0,2,0,0,0,0|2,0,0]=4 13417 B17R2.193 Oc1ccc(cc1Cl)C=Cc2ccccc2 271570a_100102527694_100012360047 [0,2,0,0,0,0|2,0,0]=4 13418 B17R2.193 Oc1ccc(cc1Cl)NCc2ccccc2 270302a_100000744943_100015611070 [0,2,0,0,0,0|2,0,0]=4 13419 B17R2.193 Oc1ccc(cc1Cl)NCc2ccccc2 34a_100000744943_100015291786 [0,2,0,0,0,0|2,0,0]=4 13420 B17R2.193 Oc1ccc(cc1Cl)SCc2ccccc2 62a_100000211182_100012360047 [0,2,0,0,0,0|1,0,0]=3 13421 B17R2.193 Oc1ccc(cc1Cl)SCc2ccccc2 62a_100012360047_100015291786 [0,2,0,0,0,0|1,0,0]=3 13422 B17R2.193 Oc1ccc(cc1Cl)SCc2ccccn2 62a_100000721315_100012360047 [0,2,0,0,0,0|2,0,0]=4 13423 B17R2.193 Oc1ccc(cc1Cl)SCc2ccccn2 62a_100012360047_100000721315 [0,2,0,0,0,0|2,0,0]=4 13424 B17R2.193 Oc1ccc(cc1Cl)SCc2cccnc2 62a_100000741622_100012360047 [0,2,0,0,0,0|2,0,0]=4 13425 B17R2.193 Oc1ccc(cc1Cl)SCc2cccnc2 62a_100012360047_100000741622 [0,2,0,0,0,0|2,0,0]=4 13426 B17R2.193 Oc1ccc(cc1Cl)SCc2ccncc2 62a_100012360047_100015193705 [0,2,0,0,0,0|2,0,0]=4 13427 B17R2.193 Oc1ccc(cc1Cl)SCc2ccncc2 62a_100015193705_100012360047 [0,2,0,0,0,0|2,0,0]=4 13428 B17R2.193 Oc1ccc(cc1F)C#Cc2ccccc2 271570a_100000069678_100000185481 [0,2,0,0,0,0|2,0,0]=4 13429 B17R2.193 Oc1ccc(cc1F)C=Cc2ccccc2 271570a_100102527694_100000185481 [0,2,0,0,0,0|2,0,0]=4 13430 B17R2.193 Oc1ccc(cc1F)NCc2ccccc2 270302a_100011220035_100015611070 [0,2,0,0,0,0|2,0,0]=4 13431 B17R2.193 Oc1ccc(cc1F)NCc2ccccc2 34a_100011220035_100015291786 [0,2,0,0,0,0|2,0,0]=4 13432 B17R2.193 Oc1ccc(cc1F)NCc2ccccc2 7a_100011220035_100000211182 [0,2,0,0,0,0|2,0,0]=4 13433 B17R2.193 Oc1ccc(cc1F)OCc2ccccc2 271570a_203496583355_200011830418 [0,2,0,0,0,0|1,1,0]=4 13434 B17R2.193 Oc1ccc(cc1F)SCc2ccccc2 62a_100000185481_100015291786 [0,2,0,0,0,0|1,0,0]=3 13435 B17R2.193 Oc1ccc(cc1F)SCc2ccccc2 62a_100000211182_100000185481 [0,2,0,0,0,0|1,0,0]=3 13436 B17R2.193 Oc1ccc(cc1F)SCc2ccccn2 62a_100000185481_100000721315 [0,2,0,0,0,0|2,0,0]=4 13437 B17R2.193 Oc1ccc(cc1F)SCc2ccccn2 62a_100000721315_100000185481 [0,2,0,0,0,0|2,0,0]=4 13438 B17R2.193 Oc1ccc(cc1F)SCc2cccnc2 62a_100000185481_100000741622 [0,2,0,0,0,0|2,0,0]=4 13439 B17R2.193 Oc1ccc(cc1F)SCc2cccnc2 62a_100000741622_100000185481 [0,2,0,0,0,0|2,0,0]=4 13440 B17R2.193 Oc1ccc(cc1F)SCc2ccncc2 62a_100000185481_100015193705 [0,2,0,0,0,0|2,0,0]=4 13441 B17R2.193 Oc1ccc(cc1F)SCc2ccncc2 62a_100015193705_100000185481 [0,2,0,0,0,0|2,0,0]=4 13442 B17R2.193 Oc1ccc(cc1O)C#Cc2ccccc2 271570a_100000069678_100009813601 [0,2,0,0,0,0|2,0,0]=4 13443 B17R2.193 Oc1ccc(cc1O)C=Cc2ccccc2 271570a_100102527694_100009813601 [0,2,0,0,0,0|2,0,0]=4 13444 B17R2.193 Oc1ccc(cc1O)NCc2ccccc2 34a_100102946323_100015291786 [0,2,0,0,0,0|2,0,0]=4 13445 B17R2.193 Oc1ccc(cc1O)OCc2ccccc2 271570a_203496583355_100010285348 [0,2,0,0,0,0|1,1,0]=4 13446 B17R2.193 Oc1ccc(cc1O)SCc2ccccc2 62a_100000211182_100009813601 [0,2,0,0,0,0|1,0,0]=3 13447 B17R2.193 Oc1ccc(cc1O)SCc2ccccn2 62a_100000721315_100009813601 [0,2,0,0,0,0|2,0,0]=4 13448 B17R2.193 Oc1ccc(cc1O)SCc2cccnc2 62a_100000741622_100009813601 [0,2,0,0,0,0|2,0,0]=4 13449 B17R2.193 Oc1ccc(cc1O)SCc2ccncc2 62a_100015193705_100009813601 [0,2,0,0,0,0|2,0,0]=4 13450 B17R2.193 Oc1ccc(nc1Br)SCc2ccccc2 62a_100000211182_100000725334 [0,2,0,0,0,0|2,0,0]=4 13451 B17R2.193 Oc1ccc(nc1Br)SCc2ccccc2 62a_100000725334_100015291786 [0,2,0,0,0,0|2,0,0]=4 13452 B17R2.193 Oc1ccc(nc1Cl)SCc2ccccc2 62a_100000211182_100000721234 [0,2,0,0,0,0|2,0,0]=4 13453 B17R2.193 Oc1ccc(nc1F)SCc2ccccc2 62a_100000211182_100009819667 [0,2,0,0,0,0|2,0,0]=4 13454 B17R2.193 Oc1ccc(nc1F)SCc2ccccc2 62a_100009819667_100015291786 [0,2,0,0,0,0|2,0,0]=4 13455 B17R2.193 Oc1nc(ccc1F)SCc2ccccc2 62a_100000211182_100010729010 [0,2,0,0,0,0|2,0,0]=4 13456 B17R2.193 Oc1ncc(cc1Cl)SCc2ccccc2 62a_100000211182_100010238531 [0,2,0,0,0,0|2,0,0]=4 13457 B17R2.193 Oc1ncc(cc1Cl)SCc2ccccc2 62a_100010238531_100015291786 [0,2,0,0,0,0|2,0,0]=4 13458 B17R2.207 Brc1ccc(cc1)C=Cc2ccc(cc2)Br 271570a_100102527914_100000752885 [0,2,0,0,0,0|2,0,0]=4 13459 B17R2.207 Brc1ccc(cc1)CNc2ccc(cc2)Br 207a_100000210018_100000186029 [0,2,0,0,0,0|2,0,0]=4 13460 B17R2.207 Brc1ccc(cc1)CNc2ccc(cc2)Br 2230a_100000210018_100011217064 [0,2,0,0,0,0|2,0,0]=4 13461 B17R2.207 Brc1ccc(cc1)CNc2ccc(cc2)Br 270302a_100000210018_100000186029 [0,2,0,0,0,0|2,0,0]=4 13462 B17R2.207 Brc1ccc(cc1)CNc2ccc(cc2)Br 34a_100000210018_100000189115 [0,2,0,0,0,0|2,0,0]=4 13463 B17R2.207 Brc1ccc(cc1)CNc2ccc(cc2)I 207a_100000185761_100000186029 [0,2,0,0,0,0|2,0,0]=4 13464 B17R2.207 Brc1ccc(cc1)CNc2ccc(cc2)I 270302a_100000185761_100000186029 [0,2,0,0,0,0|2,0,0]=4 13465 B17R2.207 Brc1ccc(cc1)CNc2ccc(cc2)I 34a_100000185761_100000189115 [0,2,0,0,0,0|2,0,0]=4 13466 B17R2.207 Brc1ccc(cc1)COc2ccc(cc2)Br 34a_100000185759_100000189115 [0,2,0,0,0,0|1,1,0]=4 13467 B17R2.207 Brc1ccc(cc1)COc2ccc(cc2)Br 7a_100000185759_100011217064 [0,2,0,0,0,0|1,1,0]=4 13468 B17R2.207 Brc1ccc(cc1)COc2ccc(cc2)I 34a_100000212066_100000189115 [0,2,0,0,0,0|1,1,0]=4 13469 B17R2.207 Brc1ccc(cc1)COc2ccc(cc2)I 7a_100000212066_100011217064 [0,2,0,0,0,0|1,1,0]=4 13470 B17R2.207 Brc1ccc(cc1)CSc2ccc(cc2)Br 62a_100000189115_100000752885 [0,2,0,0,0,0|1,0,0]=3 13471 B17R2.207 Brc1ccc(cc1)CSc2ccc(cc2)Br 62a_100000752885_100000189115 [0,2,0,0,0,0|1,0,0]=3 13472 B17R2.207 Brc1ccc(cc1)CSc2ccc(cn2)Br 62a_100000189115_100000686858 [0,2,0,0,0,0|2,0,0]=4 13473 B17R2.207 Brc1ccc(cc1)CSc2ccc(cn2)Br 62a_100000686858_100000189115 [0,2,0,0,0,0|2,0,0]=4 13474 B17R2.207 Brc1ccc(cc1)CSc2ccc(nc2)Br 62a_100000189115_100009814638 [0,2,0,0,0,0|2,0,0]=4 13475 B17R2.207 Brc1ccc(cc1)CSc2ccc(nc2)Br 62a_100009814638_100000189115 [0,2,0,0,0,0|2,0,0]=4 13476 B17R2.207 Brc1ccc(cc1)NCc2ccc(cc2)I 207a_100000210018_100000188517 [0,2,0,0,0,0|2,0,0]=4 13477 B17R2.207 Brc1ccc(cc1)NCc2ccc(cc2)I 2230a_100000210018_100000189116 [0,2,0,0,0,0|2,0,0]=4 13478 B17R2.207 Brc1ccc(cc1)NCc2ccc(cc2)I 270302a_100000210018_100000188517 [0,2,0,0,0,0|2,0,0]=4 13479 B17R2.207 Brc1ccc(cc1)NCc2ccc(cc2)I 34a_100000210018_100000189116 [0,2,0,0,0,0|2,0,0]=4 13480 B17R2.207 Brc1ccc(cc1)OCc2ccc(cc2)I 34a_100000185759_100000189116 [0,2,0,0,0,0|1,1,0]=4 13481 B17R2.207 Brc1ccc(cc1)OCc2ccc(cc2)I 7a_100000185759_100000189116 [0,2,0,0,0,0|1,1,0]=4 13482 B17R2.207 Brc1ccc(cc1)SCc2ccc(cc2)I 62a_100000189116_100000752885 [0,2,0,0,0,0|1,0,0]=3 13483 B17R2.207 Brc1ccc(cc1)SCc2ccc(cc2)I 62a_100000752885_100000189116 [0,2,0,0,0,0|1,0,0]=3 13484 B17R2.207 Brc1ccc(cc1)SCc2ccc(cn2)Br 62a_100000702658_100000752885 [0,2,0,0,0,0|2,0,0]=4 13485 B17R2.207 Brc1ccc(cc1)SCc2ccc(cn2)Br 62a_100000752885_100000702658 [0,2,0,0,0,0|2,0,0]=4 13486 B17R2.207 Brc1ccc(cc1)SCc2ccc(nc2)Br 62a_100000752885_100009831999 [0,2,0,0,0,0|2,0,0]=4 13487 B17R2.207 Brc1ccc(cc1)SCc2ccc(nc2)Br 62a_100009831999_100000752885 [0,2,0,0,0,0|2,0,0]=4 13488 B17R2.207 Brc1ccc(cn1)SCc2ccc(cc2)I 62a_100000189116_100009814638 [0,2,0,0,0,0|2,0,0]=4 13489 B17R2.207 Brc1ccc(cn1)SCc2ccc(cc2)I 62a_100009814638_100000189116 [0,2,0,0,0,0|2,0,0]=4 13490 B17R2.207 Brc1ccc(nc1)SCc2ccc(cc2)I 62a_100000189116_100000686858 [0,2,0,0,0,0|2,0,0]=4 13491 B17R2.207 Brc1ccc(nc1)SCc2ccc(cc2)I 62a_100000686858_100000189116 [0,2,0,0,0,0|2,0,0]=4 13492 B17R2.207 Cc1ccc(cc1)/C=C/c2ccc(cc2)O 271570a_203496583355_100010238976 [0,2,0,0,0,0|2,0,0]=4 13493 B17R2.207 Cc1ccc(cc1)C=Cc2ccc(cc2)Br 271570a_100102527914_100000186775 [0,2,0,0,0,0|2,0,0]=4 13494 B17R2.207 Cc1ccc(cc1)C=Cc2ccc(cc2)Br 271570a_100102527916_100000752885 [0,2,0,0,0,0|2,0,0]=4 13495 B17R2.207 Cc1ccc(cc1)C=Cc2ccc(cc2)C 271570a_100102527916_100000186775 [0,2,0,0,0,0|2,0,0]=4 13496 B17R2.207 Cc1ccc(cc1)C=Cc2ccc(cc2)Cl 271570a_100102527916_100000755918 [0,2,0,0,0,0|2,0,0]=4 13497 B17R2.207 Cc1ccc(cc1)C=Cc2ccc(cc2)Cl 271570a_100102527930_100000186775 [0,2,0,0,0,0|2,0,0]=4 13498 B17R2.207 Cc1ccc(cc1)C=Cc2ccc(cc2)F 271570a_100102525539_100000186775 [0,2,0,0,0,0|2,0,0]=4 13499 B17R2.207 Cc1ccc(cc1)C=Cc2ccc(cc2)F 271570a_100102527916_100000211213 [0,2,0,0,0,0|2,0,0]=4 13500 B17R2.207 Cc1ccc(cc1)C=Cc2ccc(cc2)N 271570a_100102527916_100000185761 [0,2,0,0,0,0|2,0,0]=4 13501 B17R2.207 Cc1ccc(cc1)C=Cc2ccc(cc2)O 271570a_100102527916_100000185759 [0,2,0,0,0,0|2,0,0]=4 13502 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)Br 207a_100000210018_100000211033 [0,2,0,0,0,0|2,0,0]=4 13503 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)Br 2230a_100000210018_100000210814 [0,2,0,0,0,0|2,0,0]=4 13504 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)Br 270302a_100000210018_100000211033 [0,2,0,0,0,0|2,0,0]=4 13505 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)Br 34a_100000210018_100000210814 [0,2,0,0,0,0|2,0,0]=4 13506 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)C 207a_100000124888_100000211033 [0,2,0,0,0,0|2,0,0]=4 13507 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)C 270302a_100000124888_100000211033 [0,2,0,0,0,0|2,0,0]=4 13508 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)C 34a_100000124888_100000210814 [0,2,0,0,0,0|2,0,0]=4 13509 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)Cl 207a_100000210052_100000211033 [0,2,0,0,0,0|2,0,0]=4 13510 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)Cl 2230a_100000210052_100000210814 [0,2,0,0,0,0|2,0,0]=4 13511 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)Cl 270302a_100000210052_100000211033 [0,2,0,0,0,0|2,0,0]=4 13512 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)Cl 34a_100000210052_100000210814 [0,2,0,0,0,0|2,0,0]=4 13513 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)F 207a_100000185862_100000211033 [0,2,0,0,0,0|2,0,0]=4 13514 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)F 270302a_100000185862_100000211033 [0,2,0,0,0,0|2,0,0]=4 13515 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)F 34a_100000185862_100000210814 [0,2,0,0,0,0|2,0,0]=4 13516 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)I 207a_100000185761_100000211033 [0,2,0,0,0,0|2,0,0]=4 13517 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)I 270302a_100000185761_100000211033 [0,2,0,0,0,0|2,0,0]=4 13518 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)I 34a_100000185761_100000210814 [0,2,0,0,0,0|2,0,0]=4 13519 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)O 270302a_100000185829_100000211033 [0,2,0,0,0,0|2,0,0]=4 13520 B17R2.207 Cc1ccc(cc1)CNc2ccc(cc2)O 34a_100000185829_100000210814 [0,2,0,0,0,0|2,0,0]=4 13521 B17R2.207 Cc1ccc(cc1)COc2ccc(cc2)Br 34a_100000185759_100000210814 [0,2,0,0,0,0|1,1,0]=4 13522 B17R2.207 Cc1ccc(cc1)COc2ccc(cc2)Br 7a_100000185759_100000210814 [0,2,0,0,0,0|1,1,0]=4 13523 B17R2.207 Cc1ccc(cc1)COc2ccc(cc2)C 34a_100000210336_100000210814 [0,2,0,0,0,0|1,1,0]=4 13524 B17R2.207 Cc1ccc(cc1)COc2ccc(cc2)C 7a_100000210336_100000210814 [0,2,0,0,0,0|1,1,0]=4 13525 B17R2.207 Cc1ccc(cc1)COc2ccc(cc2)Cl 34a_100000210216_100000210814 [0,2,0,0,0,0|1,1,0]=4 13526 B17R2.207 Cc1ccc(cc1)COc2ccc(cc2)Cl 7a_100000210216_100000210814 [0,2,0,0,0,0|1,1,0]=4 13527 B17R2.207 Cc1ccc(cc1)COc2ccc(cc2)F 34a_100000210339_100000210814 [0,2,0,0,0,0|1,1,0]=4 13528 B17R2.207 Cc1ccc(cc1)COc2ccc(cc2)I 34a_100000212066_100000210814 [0,2,0,0,0,0|1,1,0]=4 13529 B17R2.207 Cc1ccc(cc1)COc2ccc(cc2)I 7a_100000212066_100000210814 [0,2,0,0,0,0|1,1,0]=4 13530 B17R2.207 Cc1ccc(cc1)COc2ccc(cc2)N 34a_100000185829_100000210814 [0,2,0,0,0,0|1,1,0]=4 13531 B17R2.207 Cc1ccc(cc1)CSc2cc[n+](cc2)[O-] 62a_100000210814_100000039755 [0,2,0,0,0,0|2,0,0]=4 13532 B17R2.207 Cc1ccc(cc1)CSc2ccc(=O)[nH]c2 62a_100000210814_100000212171 [0,2,0,0,0,0|2,0,0]=4 13533 B17R2.207 Cc1ccc(cc1)CSc2ccc(=O)[nH]c2 62a_100000212171_100000210814 [0,2,0,0,0,0|2,0,0]=4 13534 B17R2.207 Cc1ccc(cc1)CSc2ccc(cc2)Br 62a_100000210814_100000752885 [0,2,0,0,0,0|1,0,0]=3 13535 B17R2.207 Cc1ccc(cc1)CSc2ccc(cc2)Br 62a_100000752885_100000210814 [0,2,0,0,0,0|1,0,0]=3 13536 B17R2.207 Cc1ccc(cc1)CSc2ccc(cc2)C 62a_100000186775_100000210814 [0,2,0,0,0,0|1,0,0]=3 13537 B17R2.207 Cc1ccc(cc1)CSc2ccc(cc2)C 62a_100000210814_100000186775 [0,2,0,0,0,0|1,0,0]=3 13538 B17R2.207 Cc1ccc(cc1)CSc2ccc(cc2)Cl 62a_100000210814_100000755918 [0,2,0,0,0,0|1,0,0]=3 13539 B17R2.207 Cc1ccc(cc1)CSc2ccc(cc2)Cl 62a_100000755918_100000210814 [0,2,0,0,0,0|1,0,0]=3 13540 B17R2.207 Cc1ccc(cc1)CSc2ccc(cc2)F 62a_100000210814_100000211213 [0,2,0,0,0,0|1,0,0]=3 13541 B17R2.207 Cc1ccc(cc1)CSc2ccc(cc2)F 62a_100000211213_100000210814 [0,2,0,0,0,0|1,0,0]=3 13542 B17R2.207 Cc1ccc(cc1)CSc2ccc(cc2)N 62a_100000185761_100000210814 [0,2,0,0,0,0|1,0,0]=3 13543 B17R2.207 Cc1ccc(cc1)CSc2ccc(cc2)N 62a_100000210814_100000185761 [0,2,0,0,0,0|1,0,0]=3 13544 B17R2.207 Cc1ccc(cc1)CSc2ccc(cc2)O 62a_100000210814_100000185759 [0,2,0,0,0,0|1,0,0]=3 13545 B17R2.207 Cc1ccc(cc1)CSc2ccc(cn2)Br 62a_100000210814_100000686858 [0,2,0,0,0,0|2,0,0]=4 13546 B17R2.207 Cc1ccc(cc1)CSc2ccc(cn2)Br 62a_100000686858_100000210814 [0,2,0,0,0,0|2,0,0]=4 13547 B17R2.207 Cc1ccc(cc1)CSc2ccc(cn2)C 62a_100000210814_100000754016 [0,2,0,0,0,0|2,0,0]=4 13548 B17R2.207 Cc1ccc(cc1)CSc2ccc(cn2)C 62a_100011192072_100000210814 [0,2,0,0,0,0|2,0,0]=4 13549 B17R2.207 Cc1ccc(cc1)CSc2ccc(cn2)Cl 62a_100000210814_100011356976 [0,2,0,0,0,0|2,0,0]=4 13550 B17R2.207 Cc1ccc(cc1)CSc2ccc(cn2)Cl 62a_100011356976_100000210814 [0,2,0,0,0,0|2,0,0]=4 13551 B17R2.207 Cc1ccc(cc1)CSc2ccc(cn2)F 62a_100000210814_100000744514 [0,2,0,0,0,0|2,0,0]=4 13552 B17R2.207 Cc1ccc(cc1)CSc2ccc(cn2)F 62a_100000744514_100000210814 [0,2,0,0,0,0|2,0,0]=4 13553 B17R2.207 Cc1ccc(cc1)CSc2ccc(cn2)N 62a_100000210814_100000737798 [0,2,0,0,0,0|2,0,0]=4 13554 B17R2.207 Cc1ccc(cc1)CSc2ccc(cn2)N 62a_100000737798_100000210814 [0,2,0,0,0,0|2,0,0]=4 13555 B17R2.207 Cc1ccc(cc1)CSc2ccc(cn2)O 62a_100000210814_100000744096 [0,2,0,0,0,0|2,0,0]=4 13556 B17R2.207 Cc1ccc(cc1)CSc2ccc(cn2)O 62a_100000685995_100000210814 [0,2,0,0,0,0|2,0,0]=4 13557 B17R2.207 Cc1ccc(cc1)CSc2ccc(nc2)Br 62a_100000210814_100009814638 [0,2,0,0,0,0|2,0,0]=4 13558 B17R2.207 Cc1ccc(cc1)CSc2ccc(nc2)Br 62a_100009814638_100000210814 [0,2,0,0,0,0|2,0,0]=4 13559 B17R2.207 Cc1ccc(cc1)CSc2ccc(nc2)C 62a_100000210814_100000751577 [0,2,0,0,0,0|2,0,0]=4 13560 B17R2.207 Cc1ccc(cc1)CSc2ccc(nc2)C 62a_100000751577_100000210814 [0,2,0,0,0,0|2,0,0]=4 13561 B17R2.207 Cc1ccc(cc1)CSc2ccc(nc2)Cl 62a_100000034144_100000210814 [0,2,0,0,0,0|2,0,0]=4 13562 B17R2.207 Cc1ccc(cc1)CSc2ccc(nc2)Cl 62a_100000210814_100000034144 [0,2,0,0,0,0|2,0,0]=4 13563 B17R2.207 Cc1ccc(cc1)CSc2ccc(nc2)F 62a_100000042367_100000210814 [0,2,0,0,0,0|2,0,0]=4 13564 B17R2.207 Cc1ccc(cc1)CSc2ccc(nc2)F 62a_100000210814_100000042367 [0,2,0,0,0,0|2,0,0]=4 13565 B17R2.207 Cc1ccc(cc1)CSc2ccc(nc2)N 62a_100000187370_100000210814 [0,2,0,0,0,0|2,0,0]=4 13566 B17R2.207 Cc1ccc(cc1)CSc2ccc(nc2)N 62a_100000210814_100000187370 [0,2,0,0,0,0|2,0,0]=4 13567 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)Br 207a_100000124888_100000186029 [0,2,0,0,0,0|2,0,0]=4 13568 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)Br 270302a_100000124888_100000186029 [0,2,0,0,0,0|2,0,0]=4 13569 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)Br 34a_100000124888_100000189115 [0,2,0,0,0,0|2,0,0]=4 13570 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)Cl 207a_100000124888_100000189385 [0,2,0,0,0,0|2,0,0]=4 13571 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)Cl 270302a_100000124888_100000189385 [0,2,0,0,0,0|2,0,0]=4 13572 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)Cl 34a_100000124888_100000694040 [0,2,0,0,0,0|2,0,0]=4 13573 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)F 207a_100000124888_100000210084 [0,2,0,0,0,0|2,0,0]=4 13574 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)F 270302a_100000124888_100000210084 [0,2,0,0,0,0|2,0,0]=4 13575 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)F 34a_100000124888_100000198546 [0,2,0,0,0,0|2,0,0]=4 13576 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)I 207a_100000124888_100000188517 [0,2,0,0,0,0|2,0,0]=4 13577 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)I 270302a_100000124888_100000188517 [0,2,0,0,0,0|2,0,0]=4 13578 B17R2.207 Cc1ccc(cc1)NCc2ccc(cc2)I 34a_100000124888_100000189116 [0,2,0,0,0,0|2,0,0]=4 13579 B17R2.207 Cc1ccc(cc1)OCc2ccc(cc2)Br 34a_100000210336_100000189115 [0,2,0,0,0,0|1,1,0]=4 13580 B17R2.207 Cc1ccc(cc1)OCc2ccc(cc2)Br 7a_100000210336_100011217064 [0,2,0,0,0,0|1,1,0]=4 13581 B17R2.207 Cc1ccc(cc1)OCc2ccc(cc2)Cl 34a_100000210336_100000694040 [0,2,0,0,0,0|1,1,0]=4 13582 B17R2.207 Cc1ccc(cc1)OCc2ccc(cc2)Cl 7a_100000210336_100000187161 [0,2,0,0,0,0|1,1,0]=4 13583 B17R2.207 Cc1ccc(cc1)OCc2ccc(cc2)F 34a_100000210336_100000198546 [0,2,0,0,0,0|1,1,0]=4 13584 B17R2.207 Cc1ccc(cc1)OCc2ccc(cc2)F 7a_100000210336_100000198546 [0,2,0,0,0,0|1,1,0]=4 13585 B17R2.207 Cc1ccc(cc1)OCc2ccc(cc2)I 34a_100000210336_100000189116 [0,2,0,0,0,0|1,1,0]=4 13586 B17R2.207 Cc1ccc(cc1)OCc2ccc(cc2)I 7a_100000210336_100000189116 [0,2,0,0,0,0|1,1,0]=4 13587 B17R2.207 Cc1ccc(cc1)SCc2ccc(cc2)Br 62a_100000186775_100000189115 [0,2,0,0,0,0|1,0,0]=3 13588 B17R2.207 Cc1ccc(cc1)SCc2ccc(cc2)Br 62a_100000189115_100000186775 [0,2,0,0,0,0|1,0,0]=3 13589 B17R2.207 Cc1ccc(cc1)SCc2ccc(cc2)Cl 62a_100000186775_100000187161 [0,2,0,0,0,0|1,0,0]=3 13590 B17R2.207 Cc1ccc(cc1)SCc2ccc(cc2)Cl 62a_100000187161_100000186775 [0,2,0,0,0,0|1,0,0]=3 13591 B17R2.207 Cc1ccc(cc1)SCc2ccc(cc2)F 62a_100000186775_100000187164 [0,2,0,0,0,0|1,0,0]=3 13592 B17R2.207 Cc1ccc(cc1)SCc2ccc(cc2)F 62a_100000198546_100000186775 [0,2,0,0,0,0|1,0,0]=3 13593 B17R2.207 Cc1ccc(cc1)SCc2ccc(cc2)I 62a_100000186775_100000189116 [0,2,0,0,0,0|1,0,0]=3 13594 B17R2.207 Cc1ccc(cc1)SCc2ccc(cc2)I 62a_100000189116_100000186775 [0,2,0,0,0,0|1,0,0]=3 13595 B17R2.207 Cc1ccc(cc1)SCc2ccc(cn2)Br 62a_100000186775_100000702658 [0,2,0,0,0,0|2,0,0]=4 13596 B17R2.207 Cc1ccc(cc1)SCc2ccc(cn2)Br 62a_100000702658_100000186775 [0,2,0,0,0,0|2,0,0]=4 13597 B17R2.207 Cc1ccc(cc1)SCc2ccc(cn2)C 62a_100000186775_100000691093 [0,2,0,0,0,0|2,0,0]=4 13598 B17R2.207 Cc1ccc(cc1)SCc2ccc(cn2)C 62a_100000691093_100000186775 [0,2,0,0,0,0|2,0,0]=4 13599 B17R2.207 Cc1ccc(cc1)SCc2ccc(cn2)Cl 62a_100000186775_100000697101 [0,2,0,0,0,0|2,0,0]=4 13600 B17R2.207 Cc1ccc(cc1)SCc2ccc(cn2)Cl 62a_100012066911_100000186775 [0,2,0,0,0,0|2,0,0]=4 13601 B17R2.207 Cc1ccc(cc1)SCc2ccc(cn2)F 62a_100000186775_100000703193 [0,2,0,0,0,0|2,0,0]=4 13602 B17R2.207 Cc1ccc(cc1)SCc2ccc(cn2)F 62a_100000703193_100000186775 [0,2,0,0,0,0|2,0,0]=4 13603 B17R2.207 Cc1ccc(cc1)SCc2ccc(nc2)Br 62a_100000186775_100009831999 [0,2,0,0,0,0|2,0,0]=4 13604 B17R2.207 Cc1ccc(cc1)SCc2ccc(nc2)Br 62a_100009831999_100000186775 [0,2,0,0,0,0|2,0,0]=4 13605 B17R2.207 Cc1ccc(cc1)SCc2ccc(nc2)C 62a_100000186775_100016987292 [0,2,0,0,0,0|2,0,0]=4 13606 B17R2.207 Cc1ccc(cc1)SCc2ccc(nc2)C 62a_100016987292_100000186775 [0,2,0,0,0,0|2,0,0]=4 13607 B17R2.207 Cc1ccc(cc1)SCc2ccc(nc2)Cl 62a_100000186775_100000735431 [0,2,0,0,0,0|2,0,0]=4 13608 B17R2.207 Cc1ccc(cc1)SCc2ccc(nc2)Cl 62a_100000735431_100000186775 [0,2,0,0,0,0|2,0,0]=4 13609 B17R2.207 Cc1ccc(cc1)SCc2ccc(nc2)F 62a_100000186775_100000099788 [0,2,0,0,0,0|2,0,0]=4 13610 B17R2.207 Cc1ccc(cc1)SCc2ccc(nc2)F 62a_100009820150_100000186775 [0,2,0,0,0,0|2,0,0]=4 13611 B17R2.207 Cc1ccc(cn1)CSc2ccc(cc2)Br 62a_100000752885_100016987292 [0,2,0,0,0,0|2,0,0]=4 13612 B17R2.207 Cc1ccc(cn1)CSc2ccc(cc2)Br 62a_100016987292_100000752885 [0,2,0,0,0,0|2,0,0]=4 13613 B17R2.207 Cc1ccc(cn1)CSc2ccc(cc2)Cl 62a_100000755918_100016987292 [0,2,0,0,0,0|2,0,0]=4 13614 B17R2.207 Cc1ccc(cn1)CSc2ccc(cc2)Cl 62a_100016987292_100000755918 [0,2,0,0,0,0|2,0,0]=4 13615 B17R2.207 Cc1ccc(cn1)CSc2ccc(cc2)F 62a_100000211213_100016987292 [0,2,0,0,0,0|2,0,0]=4 13616 B17R2.207 Cc1ccc(cn1)CSc2ccc(cc2)F 62a_100016987292_100000211213 [0,2,0,0,0,0|2,0,0]=4 13617 B17R2.207 Cc1ccc(cn1)CSc2ccc(cc2)N 62a_100000185761_100016987292 [0,2,0,0,0,0|2,0,0]=4 13618 B17R2.207 Cc1ccc(cn1)CSc2ccc(cc2)N 62a_100016987292_100000185761 [0,2,0,0,0,0|2,0,0]=4 13619 B17R2.207 Cc1ccc(cn1)CSc2ccc(cc2)O 62a_100016987292_100000185759 [0,2,0,0,0,0|2,0,0]=4 13620 B17R2.207 Cc1ccc(cn1)SCc2ccc(cc2)Br 62a_100000189115_100000751577 [0,2,0,0,0,0|2,0,0]=4 13621 B17R2.207 Cc1ccc(cn1)SCc2ccc(cc2)Br 62a_100000751577_100000189115 [0,2,0,0,0,0|2,0,0]=4 13622 B17R2.207 Cc1ccc(cn1)SCc2ccc(cc2)Cl 62a_100000187161_100000751577 [0,2,0,0,0,0|2,0,0]=4 13623 B17R2.207 Cc1ccc(cn1)SCc2ccc(cc2)Cl 62a_100000751577_100000187161 [0,2,0,0,0,0|2,0,0]=4 13624 B17R2.207 Cc1ccc(cn1)SCc2ccc(cc2)F 62a_100000198546_100000751577 [0,2,0,0,0,0|2,0,0]=4 13625 B17R2.207 Cc1ccc(cn1)SCc2ccc(cc2)F 62a_100000751577_100000187164 [0,2,0,0,0,0|2,0,0]=4 13626 B17R2.207 Cc1ccc(cn1)SCc2ccc(cc2)I 62a_100000189116_100000751577 [0,2,0,0,0,0|2,0,0]=4 13627 B17R2.207 Cc1ccc(cn1)SCc2ccc(cc2)I 62a_100000751577_100000189116 [0,2,0,0,0,0|2,0,0]=4 13628 B17R2.207 Cc1ccc(nc1)CSc2ccc(cc2)Br 62a_100000691093_100000752885 [0,2,0,0,0,0|2,0,0]=4 13629 B17R2.207 Cc1ccc(nc1)CSc2ccc(cc2)Br 62a_100000752885_100000691093 [0,2,0,0,0,0|2,0,0]=4 13630 B17R2.207 Cc1ccc(nc1)CSc2ccc(cc2)Cl 62a_100000691093_100000755918 [0,2,0,0,0,0|2,0,0]=4 13631 B17R2.207 Cc1ccc(nc1)CSc2ccc(cc2)Cl 62a_100000755918_100000691093 [0,2,0,0,0,0|2,0,0]=4 13632 B17R2.207 Cc1ccc(nc1)CSc2ccc(cc2)F 62a_100000211213_100000691093 [0,2,0,0,0,0|2,0,0]=4 13633 B17R2.207 Cc1ccc(nc1)CSc2ccc(cc2)F 62a_100000691093_100000211213 [0,2,0,0,0,0|2,0,0]=4 13634 B17R2.207 Cc1ccc(nc1)CSc2ccc(cc2)N 62a_100000185761_100000691093 [0,2,0,0,0,0|2,0,0]=4 13635 B17R2.207 Cc1ccc(nc1)CSc2ccc(cc2)N 62a_100000691093_100000185761 [0,2,0,0,0,0|2,0,0]=4 13636 B17R2.207 Cc1ccc(nc1)CSc2ccc(cc2)O 62a_100000691093_100000185759 [0,2,0,0,0,0|2,0,0]=4 13637 B17R2.207 Cc1ccc(nc1)SCc2ccc(cc2)Br 62a_100000189115_100000754016 [0,2,0,0,0,0|2,0,0]=4 13638 B17R2.207 Cc1ccc(nc1)SCc2ccc(cc2)Br 62a_100011192072_100000189115 [0,2,0,0,0,0|2,0,0]=4 13639 B17R2.207 Cc1ccc(nc1)SCc2ccc(cc2)Cl 62a_100000187161_100000754016 [0,2,0,0,0,0|2,0,0]=4 13640 B17R2.207 Cc1ccc(nc1)SCc2ccc(cc2)Cl 62a_100011192072_100000187161 [0,2,0,0,0,0|2,0,0]=4 13641 B17R2.207 Cc1ccc(nc1)SCc2ccc(cc2)F 62a_100000198546_100000754016 [0,2,0,0,0,0|2,0,0]=4 13642 B17R2.207 Cc1ccc(nc1)SCc2ccc(cc2)F 62a_100011192072_100000187164 [0,2,0,0,0,0|2,0,0]=4 13643 B17R2.207 Cc1ccc(nc1)SCc2ccc(cc2)I 62a_100000189116_100000754016 [0,2,0,0,0,0|2,0,0]=4 13644 B17R2.207 Cc1ccc(nc1)SCc2ccc(cc2)I 62a_100011192072_100000189116 [0,2,0,0,0,0|2,0,0]=4 13645 B17R2.207 Clc1ccc(cc1)C=Cc2ccc(cc2)Br 271570a_100102527914_100000755918 [0,2,0,0,0,0|2,0,0]=4 13646 B17R2.207 Clc1ccc(cc1)C=Cc2ccc(cc2)Br 271570a_100102527930_100000752885 [0,2,0,0,0,0|2,0,0]=4 13647 B17R2.207 Clc1ccc(cc1)C=Cc2ccc(cc2)Cl 271570a_100102527930_100000755918 [0,2,0,0,0,0|2,0,0]=4 13648 B17R2.207 Clc1ccc(cc1)CNc2ccc(cc2)Br 207a_100000210018_100000189385 [0,2,0,0,0,0|2,0,0]=4 13649 B17R2.207 Clc1ccc(cc1)CNc2ccc(cc2)Br 2230a_100000210018_100000694040 [0,2,0,0,0,0|2,0,0]=4 13650 B17R2.207 Clc1ccc(cc1)CNc2ccc(cc2)Br 270302a_100000210018_100000189385 [0,2,0,0,0,0|2,0,0]=4 13651 B17R2.207 Clc1ccc(cc1)CNc2ccc(cc2)Br 34a_100000210018_100000694040 [0,2,0,0,0,0|2,0,0]=4 13652 B17R2.207 Clc1ccc(cc1)CNc2ccc(cc2)Cl 207a_100000210052_100000189385 [0,2,0,0,0,0|2,0,0]=4 13653 B17R2.207 Clc1ccc(cc1)CNc2ccc(cc2)Cl 2230a_100000210052_100000694040 [0,2,0,0,0,0|2,0,0]=4 13654 B17R2.207 Clc1ccc(cc1)CNc2ccc(cc2)Cl 270302a_100000210052_100000189385 [0,2,0,0,0,0|2,0,0]=4 13655 B17R2.207 Clc1ccc(cc1)CNc2ccc(cc2)Cl 34a_100000210052_100000694040 [0,2,0,0,0,0|2,0,0]=4 13656 B17R2.207 Clc1ccc(cc1)CNc2ccc(cc2)I 207a_100000185761_100000189385 [0,2,0,0,0,0|2,0,0]=4 13657 B17R2.207 Clc1ccc(cc1)CNc2ccc(cc2)I 270302a_100000185761_100000189385 [0,2,0,0,0,0|2,0,0]=4 13658 B17R2.207 Clc1ccc(cc1)CNc2ccc(cc2)I 34a_100000185761_100000694040 [0,2,0,0,0,0|2,0,0]=4 13659 B17R2.207 Clc1ccc(cc1)COc2ccc(cc2)Br 34a_100000185759_100000694040 [0,2,0,0,0,0|1,1,0]=4 13660 B17R2.207 Clc1ccc(cc1)COc2ccc(cc2)Br 7a_100000185759_100000187161 [0,2,0,0,0,0|1,1,0]=4 13661 B17R2.207 Clc1ccc(cc1)COc2ccc(cc2)Cl 34a_100000210216_100000694040 [0,2,0,0,0,0|1,1,0]=4 13662 B17R2.207 Clc1ccc(cc1)COc2ccc(cc2)Cl 7a_100000210216_100000187161 [0,2,0,0,0,0|1,1,0]=4 13663 B17R2.207 Clc1ccc(cc1)COc2ccc(cc2)I 34a_100000212066_100000694040 [0,2,0,0,0,0|1,1,0]=4 13664 B17R2.207 Clc1ccc(cc1)COc2ccc(cc2)I 7a_100000212066_100000187161 [0,2,0,0,0,0|1,1,0]=4 13665 B17R2.207 Clc1ccc(cc1)CSc2ccc(cc2)Br 62a_100000187161_100000752885 [0,2,0,0,0,0|1,0,0]=3 13666 B17R2.207 Clc1ccc(cc1)CSc2ccc(cc2)Br 62a_100000752885_100000187161 [0,2,0,0,0,0|1,0,0]=3 13667 B17R2.207 Clc1ccc(cc1)CSc2ccc(cc2)Cl 62a_100000187161_100000755918 [0,2,0,0,0,0|1,0,0]=3 13668 B17R2.207 Clc1ccc(cc1)CSc2ccc(cc2)Cl 62a_100000755918_100000187161 [0,2,0,0,0,0|1,0,0]=3 13669 B17R2.207 Clc1ccc(cc1)CSc2ccc(cn2)Br 62a_100000187161_100000686858 [0,2,0,0,0,0|2,0,0]=4 13670 B17R2.207 Clc1ccc(cc1)CSc2ccc(cn2)Br 62a_100000686858_100000187161 [0,2,0,0,0,0|2,0,0]=4 13671 B17R2.207 Clc1ccc(cc1)CSc2ccc(cn2)Cl 62a_100000187161_100011356976 [0,2,0,0,0,0|2,0,0]=4 13672 B17R2.207 Clc1ccc(cc1)CSc2ccc(cn2)Cl 62a_100011356976_100000187161 [0,2,0,0,0,0|2,0,0]=4 13673 B17R2.207 Clc1ccc(cc1)CSc2ccc(nc2)Br 62a_100000187161_100009814638 [0,2,0,0,0,0|2,0,0]=4 13674 B17R2.207 Clc1ccc(cc1)CSc2ccc(nc2)Br 62a_100009814638_100000187161 [0,2,0,0,0,0|2,0,0]=4 13675 B17R2.207 Clc1ccc(cc1)CSc2ccc(nc2)Cl 62a_100000034144_100000187161 [0,2,0,0,0,0|2,0,0]=4 13676 B17R2.207 Clc1ccc(cc1)CSc2ccc(nc2)Cl 62a_100000187161_100000034144 [0,2,0,0,0,0|2,0,0]=4 13677 B17R2.207 Clc1ccc(cc1)NCc2ccc(cc2)Br 207a_100000210052_100000186029 [0,2,0,0,0,0|2,0,0]=4 13678 B17R2.207 Clc1ccc(cc1)NCc2ccc(cc2)Br 2230a_100000210052_100011217064 [0,2,0,0,0,0|2,0,0]=4 13679 B17R2.207 Clc1ccc(cc1)NCc2ccc(cc2)Br 270302a_100000210052_100000186029 [0,2,0,0,0,0|2,0,0]=4 13680 B17R2.207 Clc1ccc(cc1)NCc2ccc(cc2)Br 34a_100000210052_100000189115 [0,2,0,0,0,0|2,0,0]=4 13681 B17R2.207 Clc1ccc(cc1)NCc2ccc(cc2)I 207a_100000210052_100000188517 [0,2,0,0,0,0|2,0,0]=4 13682 B17R2.207 Clc1ccc(cc1)NCc2ccc(cc2)I 2230a_100000210052_100000189116 [0,2,0,0,0,0|2,0,0]=4 13683 B17R2.207 Clc1ccc(cc1)NCc2ccc(cc2)I 270302a_100000210052_100000188517 [0,2,0,0,0,0|2,0,0]=4 13684 B17R2.207 Clc1ccc(cc1)NCc2ccc(cc2)I 34a_100000210052_100000189116 [0,2,0,0,0,0|2,0,0]=4 13685 B17R2.207 Clc1ccc(cc1)OCc2ccc(cc2)Br 34a_100000210216_100000189115 [0,2,0,0,0,0|1,1,0]=4 13686 B17R2.207 Clc1ccc(cc1)OCc2ccc(cc2)Br 7a_100000210216_100011217064 [0,2,0,0,0,0|1,1,0]=4 13687 B17R2.207 Clc1ccc(cc1)OCc2ccc(cc2)I 34a_100000210216_100000189116 [0,2,0,0,0,0|1,1,0]=4 13688 B17R2.207 Clc1ccc(cc1)OCc2ccc(cc2)I 7a_100000210216_100000189116 [0,2,0,0,0,0|1,1,0]=4 13689 B17R2.207 Clc1ccc(cc1)SCc2ccc(cc2)Br 62a_100000189115_100000755918 [0,2,0,0,0,0|1,0,0]=3 13690 B17R2.207 Clc1ccc(cc1)SCc2ccc(cc2)Br 62a_100000755918_100000189115 [0,2,0,0,0,0|1,0,0]=3 13691 B17R2.207 Clc1ccc(cc1)SCc2ccc(cc2)I 62a_100000189116_100000755918 [0,2,0,0,0,0|1,0,0]=3 13692 B17R2.207 Clc1ccc(cc1)SCc2ccc(cc2)I 62a_100000755918_100000189116 [0,2,0,0,0,0|1,0,0]=3 13693 B17R2.207 Clc1ccc(cc1)SCc2ccc(cn2)Br 62a_100000702658_100000755918 [0,2,0,0,0,0|2,0,0]=4 13694 B17R2.207 Clc1ccc(cc1)SCc2ccc(cn2)Br 62a_100000755918_100000702658 [0,2,0,0,0,0|2,0,0]=4 13695 B17R2.207 Clc1ccc(cc1)SCc2ccc(cn2)Cl 62a_100000755918_100000697101 [0,2,0,0,0,0|2,0,0]=4 13696 B17R2.207 Clc1ccc(cc1)SCc2ccc(cn2)Cl 62a_100012066911_100000755918 [0,2,0,0,0,0|2,0,0]=4 13697 B17R2.207 Clc1ccc(cc1)SCc2ccc(nc2)Br 62a_100000755918_100009831999 [0,2,0,0,0,0|2,0,0]=4 13698 B17R2.207 Clc1ccc(cc1)SCc2ccc(nc2)Br 62a_100009831999_100000755918 [0,2,0,0,0,0|2,0,0]=4 13699 B17R2.207 Clc1ccc(cc1)SCc2ccc(nc2)Cl 62a_100000735431_100000755918 [0,2,0,0,0,0|2,0,0]=4 13700 B17R2.207 Clc1ccc(cc1)SCc2ccc(nc2)Cl 62a_100000755918_100000735431 [0,2,0,0,0,0|2,0,0]=4 13701 B17R2.207 Clc1ccc(cn1)CSc2ccc(cc2)Br 62a_100000735431_100000752885 [0,2,0,0,0,0|2,0,0]=4 13702 B17R2.207 Clc1ccc(cn1)CSc2ccc(cc2)Br 62a_100000752885_100000735431 [0,2,0,0,0,0|2,0,0]=4 13703 B17R2.207 Clc1ccc(cn1)SCc2ccc(cc2)Br 62a_100000034144_100000189115 [0,2,0,0,0,0|2,0,0]=4 13704 B17R2.207 Clc1ccc(cn1)SCc2ccc(cc2)Br 62a_100000189115_100000034144 [0,2,0,0,0,0|2,0,0]=4 13705 B17R2.207 Clc1ccc(cn1)SCc2ccc(cc2)I 62a_100000034144_100000189116 [0,2,0,0,0,0|2,0,0]=4 13706 B17R2.207 Clc1ccc(cn1)SCc2ccc(cc2)I 62a_100000189116_100000034144 [0,2,0,0,0,0|2,0,0]=4 13707 B17R2.207 Clc1ccc(nc1)CSc2ccc(cc2)Br 62a_100000752885_100000697101 [0,2,0,0,0,0|2,0,0]=4 13708 B17R2.207 Clc1ccc(nc1)CSc2ccc(cc2)Br 62a_100012066911_100000752885 [0,2,0,0,0,0|2,0,0]=4 13709 B17R2.207 Clc1ccc(nc1)SCc2ccc(cc2)Br 62a_100000189115_100011356976 [0,2,0,0,0,0|2,0,0]=4 13710 B17R2.207 Clc1ccc(nc1)SCc2ccc(cc2)Br 62a_100011356976_100000189115 [0,2,0,0,0,0|2,0,0]=4 13711 B17R2.207 Clc1ccc(nc1)SCc2ccc(cc2)I 62a_100000189116_100011356976 [0,2,0,0,0,0|2,0,0]=4 13712 B17R2.207 Clc1ccc(nc1)SCc2ccc(cc2)I 62a_100011356976_100000189116 [0,2,0,0,0,0|2,0,0]=4 13713 B17R2.207 Fc1ccc(cc1)C=Cc2ccc(cc2)Br 271570a_100102525539_100000752885 [0,2,0,0,0,0|2,0,0]=4 13714 B17R2.207 Fc1ccc(cc1)C=Cc2ccc(cc2)Br 271570a_100102527914_100000211213 [0,2,0,0,0,0|2,0,0]=4 13715 B17R2.207 Fc1ccc(cc1)C=Cc2ccc(cc2)Cl 271570a_100102525539_100000755918 [0,2,0,0,0,0|2,0,0]=4 13716 B17R2.207 Fc1ccc(cc1)C=Cc2ccc(cc2)Cl 271570a_100102527930_100000211213 [0,2,0,0,0,0|2,0,0]=4 13717 B17R2.207 Fc1ccc(cc1)C=Cc2ccc(cc2)F 271570a_100102525539_100000211213 [0,2,0,0,0,0|2,0,0]=4 13718 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)Br 207a_100000210018_100000210084 [0,2,0,0,0,0|2,0,0]=4 13719 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)Br 2230a_100000210018_100000198546 [0,2,0,0,0,0|2,0,0]=4 13720 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)Br 270302a_100000210018_100000210084 [0,2,0,0,0,0|2,0,0]=4 13721 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)Br 34a_100000210018_100000198546 [0,2,0,0,0,0|2,0,0]=4 13722 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)Cl 207a_100000210052_100000210084 [0,2,0,0,0,0|2,0,0]=4 13723 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)Cl 2230a_100000210052_100000198546 [0,2,0,0,0,0|2,0,0]=4 13724 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)Cl 270302a_100000210052_100000210084 [0,2,0,0,0,0|2,0,0]=4 13725 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)Cl 34a_100000210052_100000198546 [0,2,0,0,0,0|2,0,0]=4 13726 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)F 207a_100000185862_100000210084 [0,2,0,0,0,0|2,0,0]=4 13727 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)F 270302a_100000185862_100000210084 [0,2,0,0,0,0|2,0,0]=4 13728 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)F 34a_100000185862_100000198546 [0,2,0,0,0,0|2,0,0]=4 13729 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)I 207a_100000185761_100000210084 [0,2,0,0,0,0|2,0,0]=4 13730 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)I 270302a_100000185761_100000210084 [0,2,0,0,0,0|2,0,0]=4 13731 B17R2.207 Fc1ccc(cc1)CNc2ccc(cc2)I 34a_100000185761_100000198546 [0,2,0,0,0,0|2,0,0]=4 13732 B17R2.207 Fc1ccc(cc1)COc2ccc(cc2)Br 34a_100000185759_100000198546 [0,2,0,0,0,0|1,1,0]=4 13733 B17R2.207 Fc1ccc(cc1)COc2ccc(cc2)Br 7a_100000185759_100000198546 [0,2,0,0,0,0|1,1,0]=4 13734 B17R2.207 Fc1ccc(cc1)COc2ccc(cc2)Cl 34a_100000210216_100000198546 [0,2,0,0,0,0|1,1,0]=4 13735 B17R2.207 Fc1ccc(cc1)COc2ccc(cc2)Cl 7a_100000210216_100000198546 [0,2,0,0,0,0|1,1,0]=4 13736 B17R2.207 Fc1ccc(cc1)COc2ccc(cc2)F 34a_100000210339_100000198546 [0,2,0,0,0,0|1,1,0]=4 13737 B17R2.207 Fc1ccc(cc1)COc2ccc(cc2)I 34a_100000212066_100000198546 [0,2,0,0,0,0|1,1,0]=4 13738 B17R2.207 Fc1ccc(cc1)COc2ccc(cc2)I 7a_100000212066_100000198546 [0,2,0,0,0,0|1,1,0]=4 13739 B17R2.207 Fc1ccc(cc1)CSc2ccc(cc2)Br 62a_100000198546_100000752885 [0,2,0,0,0,0|1,0,0]=3 13740 B17R2.207 Fc1ccc(cc1)CSc2ccc(cc2)Br 62a_100000752885_100000187164 [0,2,0,0,0,0|1,0,0]=3 13741 B17R2.207 Fc1ccc(cc1)CSc2ccc(cc2)Cl 62a_100000198546_100000755918 [0,2,0,0,0,0|1,0,0]=3 13742 B17R2.207 Fc1ccc(cc1)CSc2ccc(cc2)Cl 62a_100000755918_100000187164 [0,2,0,0,0,0|1,0,0]=3 13743 B17R2.207 Fc1ccc(cc1)CSc2ccc(cc2)F 62a_100000198546_100000211213 [0,2,0,0,0,0|1,0,0]=3 13744 B17R2.207 Fc1ccc(cc1)CSc2ccc(cc2)F 62a_100000211213_100000187164 [0,2,0,0,0,0|1,0,0]=3 13745 B17R2.207 Fc1ccc(cc1)CSc2ccc(cn2)Br 62a_100000198546_100000686858 [0,2,0,0,0,0|2,0,0]=4 13746 B17R2.207 Fc1ccc(cc1)CSc2ccc(cn2)Br 62a_100000686858_100000187164 [0,2,0,0,0,0|2,0,0]=4 13747 B17R2.207 Fc1ccc(cc1)CSc2ccc(cn2)Cl 62a_100000198546_100011356976 [0,2,0,0,0,0|2,0,0]=4 13748 B17R2.207 Fc1ccc(cc1)CSc2ccc(cn2)Cl 62a_100011356976_100000187164 [0,2,0,0,0,0|2,0,0]=4 13749 B17R2.207 Fc1ccc(cc1)CSc2ccc(cn2)F 62a_100000198546_100000744514 [0,2,0,0,0,0|2,0,0]=4 13750 B17R2.207 Fc1ccc(cc1)CSc2ccc(cn2)F 62a_100000744514_100000187164 [0,2,0,0,0,0|2,0,0]=4 13751 B17R2.207 Fc1ccc(cc1)CSc2ccc(nc2)Br 62a_100000198546_100009814638 [0,2,0,0,0,0|2,0,0]=4 13752 B17R2.207 Fc1ccc(cc1)CSc2ccc(nc2)Br 62a_100009814638_100000187164 [0,2,0,0,0,0|2,0,0]=4 13753 B17R2.207 Fc1ccc(cc1)CSc2ccc(nc2)Cl 62a_100000034144_100000187164 [0,2,0,0,0,0|2,0,0]=4 13754 B17R2.207 Fc1ccc(cc1)CSc2ccc(nc2)Cl 62a_100000198546_100000034144 [0,2,0,0,0,0|2,0,0]=4 13755 B17R2.207 Fc1ccc(cc1)CSc2ccc(nc2)F 62a_100000042367_100000187164 [0,2,0,0,0,0|2,0,0]=4 13756 B17R2.207 Fc1ccc(cc1)CSc2ccc(nc2)F 62a_100000198546_100000042367 [0,2,0,0,0,0|2,0,0]=4 13757 B17R2.207 Fc1ccc(cc1)NCc2ccc(cc2)Br 207a_100000185862_100000186029 [0,2,0,0,0,0|2,0,0]=4 13758 B17R2.207 Fc1ccc(cc1)NCc2ccc(cc2)Br 270302a_100000185862_100000186029 [0,2,0,0,0,0|2,0,0]=4 13759 B17R2.207 Fc1ccc(cc1)NCc2ccc(cc2)Br 34a_100000185862_100000189115 [0,2,0,0,0,0|2,0,0]=4 13760 B17R2.207 Fc1ccc(cc1)NCc2ccc(cc2)Cl 207a_100000185862_100000189385 [0,2,0,0,0,0|2,0,0]=4 13761 B17R2.207 Fc1ccc(cc1)NCc2ccc(cc2)Cl 270302a_100000185862_100000189385 [0,2,0,0,0,0|2,0,0]=4 13762 B17R2.207 Fc1ccc(cc1)NCc2ccc(cc2)Cl 34a_100000185862_100000694040 [0,2,0,0,0,0|2,0,0]=4 13763 B17R2.207 Fc1ccc(cc1)NCc2ccc(cc2)I 207a_100000185862_100000188517 [0,2,0,0,0,0|2,0,0]=4 13764 B17R2.207 Fc1ccc(cc1)NCc2ccc(cc2)I 270302a_100000185862_100000188517 [0,2,0,0,0,0|2,0,0]=4 13765 B17R2.207 Fc1ccc(cc1)NCc2ccc(cc2)I 34a_100000185862_100000189116 [0,2,0,0,0,0|2,0,0]=4 13766 B17R2.207 Fc1ccc(cc1)OCc2ccc(cc2)Br 34a_100000210339_100000189115 [0,2,0,0,0,0|1,1,0]=4 13767 B17R2.207 Fc1ccc(cc1)OCc2ccc(cc2)Cl 34a_100000210339_100000694040 [0,2,0,0,0,0|1,1,0]=4 13768 B17R2.207 Fc1ccc(cc1)OCc2ccc(cc2)I 34a_100000210339_100000189116 [0,2,0,0,0,0|1,1,0]=4 13769 B17R2.207 Fc1ccc(cc1)SCc2ccc(cc2)Br 62a_100000189115_100000211213 [0,2,0,0,0,0|1,0,0]=3 13770 B17R2.207 Fc1ccc(cc1)SCc2ccc(cc2)Br 62a_100000211213_100000189115 [0,2,0,0,0,0|1,0,0]=3 13771 B17R2.207 Fc1ccc(cc1)SCc2ccc(cc2)Cl 62a_100000187161_100000211213 [0,2,0,0,0,0|1,0,0]=3 13772 B17R2.207 Fc1ccc(cc1)SCc2ccc(cc2)Cl 62a_100000211213_100000187161 [0,2,0,0,0,0|1,0,0]=3 13773 B17R2.207 Fc1ccc(cc1)SCc2ccc(cc2)I 62a_100000189116_100000211213 [0,2,0,0,0,0|1,0,0]=3 13774 B17R2.207 Fc1ccc(cc1)SCc2ccc(cc2)I 62a_100000211213_100000189116 [0,2,0,0,0,0|1,0,0]=3 13775 B17R2.207 Fc1ccc(cc1)SCc2ccc(cn2)Br 62a_100000211213_100000702658 [0,2,0,0,0,0|2,0,0]=4 13776 B17R2.207 Fc1ccc(cc1)SCc2ccc(cn2)Br 62a_100000702658_100000211213 [0,2,0,0,0,0|2,0,0]=4 13777 B17R2.207 Fc1ccc(cc1)SCc2ccc(cn2)Cl 62a_100000211213_100000697101 [0,2,0,0,0,0|2,0,0]=4 13778 B17R2.207 Fc1ccc(cc1)SCc2ccc(cn2)Cl 62a_100012066911_100000211213 [0,2,0,0,0,0|2,0,0]=4 13779 B17R2.207 Fc1ccc(cc1)SCc2ccc(cn2)F 62a_100000211213_100000703193 [0,2,0,0,0,0|2,0,0]=4 13780 B17R2.207 Fc1ccc(cc1)SCc2ccc(cn2)F 62a_100000703193_100000211213 [0,2,0,0,0,0|2,0,0]=4 13781 B17R2.207 Fc1ccc(cc1)SCc2ccc(nc2)Br 62a_100000211213_100009831999 [0,2,0,0,0,0|2,0,0]=4 13782 B17R2.207 Fc1ccc(cc1)SCc2ccc(nc2)Br 62a_100009831999_100000211213 [0,2,0,0,0,0|2,0,0]=4 13783 B17R2.207 Fc1ccc(cc1)SCc2ccc(nc2)Cl 62a_100000211213_100000735431 [0,2,0,0,0,0|2,0,0]=4 13784 B17R2.207 Fc1ccc(cc1)SCc2ccc(nc2)Cl 62a_100000735431_100000211213 [0,2,0,0,0,0|2,0,0]=4 13785 B17R2.207 Fc1ccc(cc1)SCc2ccc(nc2)F 62a_100000211213_100000099788 [0,2,0,0,0,0|2,0,0]=4 13786 B17R2.207 Fc1ccc(cc1)SCc2ccc(nc2)F 62a_100009820150_100000211213 [0,2,0,0,0,0|2,0,0]=4 13787 B17R2.207 Fc1ccc(cn1)CSc2ccc(cc2)Br 62a_100000752885_100000099788 [0,2,0,0,0,0|2,0,0]=4 13788 B17R2.207 Fc1ccc(cn1)CSc2ccc(cc2)Br 62a_100009820150_100000752885 [0,2,0,0,0,0|2,0,0]=4 13789 B17R2.207 Fc1ccc(cn1)CSc2ccc(cc2)Cl 62a_100000755918_100000099788 [0,2,0,0,0,0|2,0,0]=4 13790 B17R2.207 Fc1ccc(cn1)CSc2ccc(cc2)Cl 62a_100009820150_100000755918 [0,2,0,0,0,0|2,0,0]=4 13791 B17R2.207 Fc1ccc(cn1)SCc2ccc(cc2)Br 62a_100000042367_100000189115 [0,2,0,0,0,0|2,0,0]=4 13792 B17R2.207 Fc1ccc(cn1)SCc2ccc(cc2)Br 62a_100000189115_100000042367 [0,2,0,0,0,0|2,0,0]=4 13793 B17R2.207 Fc1ccc(cn1)SCc2ccc(cc2)Cl 62a_100000042367_100000187161 [0,2,0,0,0,0|2,0,0]=4 13794 B17R2.207 Fc1ccc(cn1)SCc2ccc(cc2)Cl 62a_100000187161_100000042367 [0,2,0,0,0,0|2,0,0]=4 13795 B17R2.207 Fc1ccc(cn1)SCc2ccc(cc2)I 62a_100000042367_100000189116 [0,2,0,0,0,0|2,0,0]=4 13796 B17R2.207 Fc1ccc(cn1)SCc2ccc(cc2)I 62a_100000189116_100000042367 [0,2,0,0,0,0|2,0,0]=4 13797 B17R2.207 Fc1ccc(nc1)CSc2ccc(cc2)Br 62a_100000703193_100000752885 [0,2,0,0,0,0|2,0,0]=4 13798 B17R2.207 Fc1ccc(nc1)CSc2ccc(cc2)Br 62a_100000752885_100000703193 [0,2,0,0,0,0|2,0,0]=4 13799 B17R2.207 Fc1ccc(nc1)CSc2ccc(cc2)Cl 62a_100000703193_100000755918 [0,2,0,0,0,0|2,0,0]=4 13800 B17R2.207 Fc1ccc(nc1)CSc2ccc(cc2)Cl 62a_100000755918_100000703193 [0,2,0,0,0,0|2,0,0]=4 13801 B17R2.207 Fc1ccc(nc1)SCc2ccc(cc2)Br 62a_100000189115_100000744514 [0,2,0,0,0,0|2,0,0]=4 13802 B17R2.207 Fc1ccc(nc1)SCc2ccc(cc2)Br 62a_100000744514_100000189115 [0,2,0,0,0,0|2,0,0]=4 13803 B17R2.207 Fc1ccc(nc1)SCc2ccc(cc2)Cl 62a_100000187161_100000744514 [0,2,0,0,0,0|2,0,0]=4 13804 B17R2.207 Fc1ccc(nc1)SCc2ccc(cc2)Cl 62a_100000744514_100000187161 [0,2,0,0,0,0|2,0,0]=4 13805 B17R2.207 Fc1ccc(nc1)SCc2ccc(cc2)I 62a_100000189116_100000744514 [0,2,0,0,0,0|2,0,0]=4 13806 B17R2.207 Fc1ccc(nc1)SCc2ccc(cc2)I 62a_100000744514_100000189116 [0,2,0,0,0,0|2,0,0]=4 13807 B17R2.207 Ic1ccc(cc1)CNc2ccc(cc2)I 207a_100000185761_100000188517 [0,2,0,0,0,0|2,0,0]=4 13808 B17R2.207 Ic1ccc(cc1)CNc2ccc(cc2)I 270302a_100000185761_100000188517 [0,2,0,0,0,0|2,0,0]=4 13809 B17R2.207 Ic1ccc(cc1)CNc2ccc(cc2)I 34a_100000185761_100000189116 [0,2,0,0,0,0|2,0,0]=4 13810 B17R2.207 Ic1ccc(cc1)COc2ccc(cc2)I 34a_100000212066_100000189116 [0,2,0,0,0,0|1,1,0]=4 13811 B17R2.207 Ic1ccc(cc1)COc2ccc(cc2)I 7a_100000212066_100000189116 [0,2,0,0,0,0|1,1,0]=4 13812 B17R2.207 Nc1ccc(cc1)C=Cc2ccc(cc2)Br 271570a_100102527914_100000185761 [0,2,0,0,0,0|2,0,0]=4 13813 B17R2.207 Nc1ccc(cc1)C=Cc2ccc(cc2)Cl 271570a_100102527930_100000185761 [0,2,0,0,0,0|2,0,0]=4 13814 B17R2.207 Nc1ccc(cc1)C=Cc2ccc(cc2)F 271570a_100102525539_100000185761 [0,2,0,0,0,0|2,0,0]=4 13815 B17R2.207 Nc1ccc(cc1)COc2ccc(cc2)O 271570a_203496583355_100000274467 [0,2,0,0,0,0|1,1,0]=4 13816 B17R2.207 Nc1ccc(cc1)OCc2ccc(cc2)Br 34a_100000185829_100000189115 [0,2,0,0,0,0|1,1,0]=4 13817 B17R2.207 Nc1ccc(cc1)OCc2ccc(cc2)Cl 34a_100000185829_100000694040 [0,2,0,0,0,0|1,1,0]=4 13818 B17R2.207 Nc1ccc(cc1)OCc2ccc(cc2)F 34a_100000185829_100000198546 [0,2,0,0,0,0|1,1,0]=4 13819 B17R2.207 Nc1ccc(cc1)OCc2ccc(cc2)I 34a_100000185829_100000189116 [0,2,0,0,0,0|1,1,0]=4 13820 B17R2.207 Nc1ccc(cc1)SCc2ccc(cc2)Br 62a_100000185761_100000189115 [0,2,0,0,0,0|1,0,0]=3 13821 B17R2.207 Nc1ccc(cc1)SCc2ccc(cc2)Br 62a_100000189115_100000185761 [0,2,0,0,0,0|1,0,0]=3 13822 B17R2.207 Nc1ccc(cc1)SCc2ccc(cc2)Cl 62a_100000185761_100000187161 [0,2,0,0,0,0|1,0,0]=3 13823 B17R2.207 Nc1ccc(cc1)SCc2ccc(cc2)Cl 62a_100000187161_100000185761 [0,2,0,0,0,0|1,0,0]=3 13824 B17R2.207 Nc1ccc(cc1)SCc2ccc(cc2)F 62a_100000185761_100000187164 [0,2,0,0,0,0|1,0,0]=3 13825 B17R2.207 Nc1ccc(cc1)SCc2ccc(cc2)F 62a_100000198546_100000185761 [0,2,0,0,0,0|1,0,0]=3 13826 B17R2.207 Nc1ccc(cc1)SCc2ccc(cc2)I 62a_100000185761_100000189116 [0,2,0,0,0,0|1,0,0]=3 13827 B17R2.207 Nc1ccc(cc1)SCc2ccc(cc2)I 62a_100000189116_100000185761 [0,2,0,0,0,0|1,0,0]=3 13828 B17R2.207 Nc1ccc(cc1)SCc2ccc(cn2)Br 62a_100000185761_100000702658 [0,2,0,0,0,0|2,0,0]=4 13829 B17R2.207 Nc1ccc(cc1)SCc2ccc(cn2)Br 62a_100000702658_100000185761 [0,2,0,0,0,0|2,0,0]=4 13830 B17R2.207 Nc1ccc(cc1)SCc2ccc(cn2)Cl 62a_100000185761_100000697101 [0,2,0,0,0,0|2,0,0]=4 13831 B17R2.207 Nc1ccc(cc1)SCc2ccc(cn2)Cl 62a_100012066911_100000185761 [0,2,0,0,0,0|2,0,0]=4 13832 B17R2.207 Nc1ccc(cc1)SCc2ccc(cn2)F 62a_100000185761_100000703193 [0,2,0,0,0,0|2,0,0]=4 13833 B17R2.207 Nc1ccc(cc1)SCc2ccc(cn2)F 62a_100000703193_100000185761 [0,2,0,0,0,0|2,0,0]=4 13834 B17R2.207 Nc1ccc(cc1)SCc2ccc(nc2)Br 62a_100000185761_100009831999 [0,2,0,0,0,0|2,0,0]=4 13835 B17R2.207 Nc1ccc(cc1)SCc2ccc(nc2)Br 62a_100009831999_100000185761 [0,2,0,0,0,0|2,0,0]=4 13836 B17R2.207 Nc1ccc(cc1)SCc2ccc(nc2)Cl 62a_100000185761_100000735431 [0,2,0,0,0,0|2,0,0]=4 13837 B17R2.207 Nc1ccc(cc1)SCc2ccc(nc2)Cl 62a_100000735431_100000185761 [0,2,0,0,0,0|2,0,0]=4 13838 B17R2.207 Nc1ccc(cc1)SCc2ccc(nc2)F 62a_100000185761_100000099788 [0,2,0,0,0,0|2,0,0]=4 13839 B17R2.207 Nc1ccc(cc1)SCc2ccc(nc2)F 62a_100009820150_100000185761 [0,2,0,0,0,0|2,0,0]=4 13840 B17R2.207 Nc1ccc(cn1)SCc2ccc(cc2)Br 62a_100000187370_100000189115 [0,2,0,0,0,0|2,0,0]=4 13841 B17R2.207 Nc1ccc(cn1)SCc2ccc(cc2)Br 62a_100000189115_100000187370 [0,2,0,0,0,0|2,0,0]=4 13842 B17R2.207 Nc1ccc(cn1)SCc2ccc(cc2)Cl 62a_100000187161_100000187370 [0,2,0,0,0,0|2,0,0]=4 13843 B17R2.207 Nc1ccc(cn1)SCc2ccc(cc2)Cl 62a_100000187370_100000187161 [0,2,0,0,0,0|2,0,0]=4 13844 B17R2.207 Nc1ccc(cn1)SCc2ccc(cc2)F 62a_100000187370_100000187164 [0,2,0,0,0,0|2,0,0]=4 13845 B17R2.207 Nc1ccc(cn1)SCc2ccc(cc2)F 62a_100000198546_100000187370 [0,2,0,0,0,0|2,0,0]=4 13846 B17R2.207 Nc1ccc(cn1)SCc2ccc(cc2)I 62a_100000187370_100000189116 [0,2,0,0,0,0|2,0,0]=4 13847 B17R2.207 Nc1ccc(cn1)SCc2ccc(cc2)I 62a_100000189116_100000187370 [0,2,0,0,0,0|2,0,0]=4 13848 B17R2.207 Nc1ccc(nc1)SCc2ccc(cc2)Br 62a_100000189115_100000737798 [0,2,0,0,0,0|2,0,0]=4 13849 B17R2.207 Nc1ccc(nc1)SCc2ccc(cc2)Br 62a_100000737798_100000189115 [0,2,0,0,0,0|2,0,0]=4 13850 B17R2.207 Nc1ccc(nc1)SCc2ccc(cc2)Cl 62a_100000187161_100000737798 [0,2,0,0,0,0|2,0,0]=4 13851 B17R2.207 Nc1ccc(nc1)SCc2ccc(cc2)Cl 62a_100000737798_100000187161 [0,2,0,0,0,0|2,0,0]=4 13852 B17R2.207 Nc1ccc(nc1)SCc2ccc(cc2)F 62a_100000198546_100000737798 [0,2,0,0,0,0|2,0,0]=4 13853 B17R2.207 Nc1ccc(nc1)SCc2ccc(cc2)F 62a_100000737798_100000187164 [0,2,0,0,0,0|2,0,0]=4 13854 B17R2.207 Nc1ccc(nc1)SCc2ccc(cc2)I 62a_100000189116_100000737798 [0,2,0,0,0,0|2,0,0]=4 13855 B17R2.207 Nc1ccc(nc1)SCc2ccc(cc2)I 62a_100000737798_100000189116 [0,2,0,0,0,0|2,0,0]=4 13856 B17R2.207 O=c1ccc(c[nH]1)SCc2ccc(cc2)Br 62a_100000189115_100000212171 [0,2,0,0,0,0|2,0,0]=4 13857 B17R2.207 O=c1ccc(c[nH]1)SCc2ccc(cc2)Br 62a_100000212171_100000189115 [0,2,0,0,0,0|2,0,0]=4 13858 B17R2.207 O=c1ccc(c[nH]1)SCc2ccc(cc2)Cl 62a_100000187161_100000212171 [0,2,0,0,0,0|2,0,0]=4 13859 B17R2.207 O=c1ccc(c[nH]1)SCc2ccc(cc2)Cl 62a_100000212171_100000187161 [0,2,0,0,0,0|2,0,0]=4 13860 B17R2.207 O=c1ccc(c[nH]1)SCc2ccc(cc2)F 62a_100000198546_100000212171 [0,2,0,0,0,0|2,0,0]=4 13861 B17R2.207 O=c1ccc(c[nH]1)SCc2ccc(cc2)F 62a_100000212171_100000187164 [0,2,0,0,0,0|2,0,0]=4 13862 B17R2.207 O=c1ccc(c[nH]1)SCc2ccc(cc2)I 62a_100000189116_100000212171 [0,2,0,0,0,0|2,0,0]=4 13863 B17R2.207 O=c1ccc(c[nH]1)SCc2ccc(cc2)I 62a_100000212171_100000189116 [0,2,0,0,0,0|2,0,0]=4 13864 B17R2.207 Oc1ccc(cc1)C=Cc2ccc(cc2)Br 271570a_100102527914_100000185759 [0,2,0,0,0,0|2,0,0]=4 13865 B17R2.207 Oc1ccc(cc1)C=Cc2ccc(cc2)Cl 271570a_100102527930_100000185759 [0,2,0,0,0,0|2,0,0]=4 13866 B17R2.207 Oc1ccc(cc1)C=Cc2ccc(cc2)F 271570a_100102525539_100000185759 [0,2,0,0,0,0|2,0,0]=4 13867 B17R2.207 Oc1ccc(cc1)NCc2ccc(cc2)Br 270302a_100000185829_100000186029 [0,2,0,0,0,0|2,0,0]=4 13868 B17R2.207 Oc1ccc(cc1)NCc2ccc(cc2)Br 34a_100000185829_100000189115 [0,2,0,0,0,0|2,0,0]=4 13869 B17R2.207 Oc1ccc(cc1)NCc2ccc(cc2)Cl 270302a_100000185829_100000189385 [0,2,0,0,0,0|2,0,0]=4 13870 B17R2.207 Oc1ccc(cc1)NCc2ccc(cc2)Cl 34a_100000185829_100000694040 [0,2,0,0,0,0|2,0,0]=4 13871 B17R2.207 Oc1ccc(cc1)NCc2ccc(cc2)F 270302a_100000185829_100000210084 [0,2,0,0,0,0|2,0,0]=4 13872 B17R2.207 Oc1ccc(cc1)NCc2ccc(cc2)F 34a_100000185829_100000198546 [0,2,0,0,0,0|2,0,0]=4 13873 B17R2.207 Oc1ccc(cc1)NCc2ccc(cc2)I 270302a_100000185829_100000188517 [0,2,0,0,0,0|2,0,0]=4 13874 B17R2.207 Oc1ccc(cc1)NCc2ccc(cc2)I 34a_100000185829_100000189116 [0,2,0,0,0,0|2,0,0]=4 13875 B17R2.207 Oc1ccc(cc1)SCc2ccc(cc2)Br 62a_100000189115_100000185759 [0,2,0,0,0,0|1,0,0]=3 13876 B17R2.207 Oc1ccc(cc1)SCc2ccc(cc2)Cl 62a_100000187161_100000185759 [0,2,0,0,0,0|1,0,0]=3 13877 B17R2.207 Oc1ccc(cc1)SCc2ccc(cc2)F 62a_100000198546_100000185759 [0,2,0,0,0,0|1,0,0]=3 13878 B17R2.207 Oc1ccc(cc1)SCc2ccc(cc2)I 62a_100000189116_100000185759 [0,2,0,0,0,0|1,0,0]=3 13879 B17R2.207 Oc1ccc(cc1)SCc2ccc(cn2)Br 62a_100000702658_100000185759 [0,2,0,0,0,0|2,0,0]=4 13880 B17R2.207 Oc1ccc(cc1)SCc2ccc(cn2)Cl 62a_100012066911_100000185759 [0,2,0,0,0,0|2,0,0]=4 13881 B17R2.207 Oc1ccc(cc1)SCc2ccc(cn2)F 62a_100000703193_100000185759 [0,2,0,0,0,0|2,0,0]=4 13882 B17R2.207 Oc1ccc(cc1)SCc2ccc(nc2)Br 62a_100009831999_100000185759 [0,2,0,0,0,0|2,0,0]=4 13883 B17R2.207 Oc1ccc(cc1)SCc2ccc(nc2)Cl 62a_100000735431_100000185759 [0,2,0,0,0,0|2,0,0]=4 13884 B17R2.207 Oc1ccc(cc1)SCc2ccc(nc2)F 62a_100009820150_100000185759 [0,2,0,0,0,0|2,0,0]=4 13885 B17R2.207 Oc1ccc(nc1)SCc2ccc(cc2)Br 62a_100000189115_100000744096 [0,2,0,0,0,0|2,0,0]=4 13886 B17R2.207 Oc1ccc(nc1)SCc2ccc(cc2)Br 62a_100000685995_100000189115 [0,2,0,0,0,0|2,0,0]=4 13887 B17R2.207 Oc1ccc(nc1)SCc2ccc(cc2)Cl 62a_100000187161_100000744096 [0,2,0,0,0,0|2,0,0]=4 13888 B17R2.207 Oc1ccc(nc1)SCc2ccc(cc2)Cl 62a_100000685995_100000187161 [0,2,0,0,0,0|2,0,0]=4 13889 B17R2.207 Oc1ccc(nc1)SCc2ccc(cc2)F 62a_100000198546_100000744096 [0,2,0,0,0,0|2,0,0]=4 13890 B17R2.207 Oc1ccc(nc1)SCc2ccc(cc2)F 62a_100000685995_100000187164 [0,2,0,0,0,0|2,0,0]=4 13891 B17R2.207 Oc1ccc(nc1)SCc2ccc(cc2)I 62a_100000189116_100000744096 [0,2,0,0,0,0|2,0,0]=4 13892 B17R2.207 Oc1ccc(nc1)SCc2ccc(cc2)I 62a_100000685995_100000189116 [0,2,0,0,0,0|2,0,0]=4 13893 B17R2.207 [O-][n+]1ccc(cc1)SCc2ccc(cc2)Br 62a_100000189115_100000039755 [0,2,0,0,0,0|2,0,0]=4 13894 B17R2.207 [O-][n+]1ccc(cc1)SCc2ccc(cc2)Cl 62a_100000187161_100000039755 [0,2,0,0,0,0|2,0,0]=4 13895 B17R2.207 [O-][n+]1ccc(cc1)SCc2ccc(cc2)F 62a_100000198546_100000039755 [0,2,0,0,0,0|2,0,0]=4 13896 B17R2.207 [O-][n+]1ccc(cc1)SCc2ccc(cc2)I 62a_100000189116_100000039755 [0,2,0,0,0,0|2,0,0]=4 13897 B17R2.215 Brc1cc(ccn1)SCc2ccc(cc2)I 62a_100000189116_100009814637 [0,2,0,0,0,0|2,0,0]=4 13898 B17R2.215 Brc1cc(ccn1)SCc2ccc(cc2)I 62a_100009814637_100000189116 [0,2,0,0,0,0|2,0,0]=4 13899 B17R2.215 Brc1ccc(cc1)C=Cc2cccc(c2)Br 271570a_100102527914_100000691529 [0,2,0,0,0,0|2,0,0]=4 13900 B17R2.215 Brc1ccc(cc1)CNc2cccc(c2)Br 207a_100000210019_100000186029 [0,2,0,0,0,0|2,0,0]=4 13901 B17R2.215 Brc1ccc(cc1)CNc2cccc(c2)Br 270302a_100000210019_100000186029 [0,2,0,0,0,0|2,0,0]=4 13902 B17R2.215 Brc1ccc(cc1)CNc2cccc(c2)Br 34a_100000210019_100000189115 [0,2,0,0,0,0|2,0,0]=4 13903 B17R2.215 Brc1ccc(cc1)CNc2cccc(c2)I 207a_100000211102_100000186029 [0,2,0,0,0,0|2,0,0]=4 13904 B17R2.215 Brc1ccc(cc1)CNc2cccc(c2)I 270302a_100000211102_100000186029 [0,2,0,0,0,0|2,0,0]=4 13905 B17R2.215 Brc1ccc(cc1)CNc2cccc(c2)I 34a_100000211102_100000189115 [0,2,0,0,0,0|2,0,0]=4 13906 B17R2.215 Brc1ccc(cc1)COc2cccc(c2)Br 34a_100000210342_100000189115 [0,2,0,0,0,0|1,1,0]=4 13907 B17R2.215 Brc1ccc(cc1)COc2cccc(c2)Br 7a_100000210342_100011217064 [0,2,0,0,0,0|1,1,0]=4 13908 B17R2.215 Brc1ccc(cc1)COc2cccc(c2)I 34a_100000211634_100000189115 [0,2,0,0,0,0|1,1,0]=4 13909 B17R2.215 Brc1ccc(cc1)COc2cccc(c2)I 7a_100000211634_100011217064 [0,2,0,0,0,0|1,1,0]=4 13910 B17R2.215 Brc1ccc(cc1)CSc2cccc(c2)Br 62a_100000189115_100000691529 [0,2,0,0,0,0|1,0,0]=3 13911 B17R2.215 Brc1ccc(cc1)CSc2cccc(c2)Br 62a_100000691529_100000189115 [0,2,0,0,0,0|1,0,0]=3 13912 B17R2.215 Brc1ccc(cc1)CSc2cccc(n2)Br 62a_100000189115_100000684672 [0,2,0,0,0,0|2,0,0]=4 13913 B17R2.215 Brc1ccc(cc1)CSc2cccc(n2)Br 62a_100000684672_100000189115 [0,2,0,0,0,0|2,0,0]=4 13914 B17R2.215 Brc1ccc(cc1)CSc2ccnc(c2)Br 62a_100000189115_100009814637 [0,2,0,0,0,0|2,0,0]=4 13915 B17R2.215 Brc1ccc(cc1)CSc2ccnc(c2)Br 62a_100009814637_100000189115 [0,2,0,0,0,0|2,0,0]=4 13916 B17R2.215 Brc1ccc(cc1)CSc2cncc(c2)Br 62a_100000189115_100000728054 [0,2,0,0,0,0|2,0,0]=4 13917 B17R2.215 Brc1ccc(cc1)CSc2cncc(c2)Br 62a_100000728054_100000189115 [0,2,0,0,0,0|2,0,0]=4 13918 B17R2.215 Brc1ccc(cc1)NCc2cccc(c2)Br 207a_100000210018_100000210085 [0,2,0,0,0,0|2,0,0]=4 13919 B17R2.215 Brc1ccc(cc1)NCc2cccc(c2)Br 2230a_100000210018_100000698116 [0,2,0,0,0,0|2,0,0]=4 13920 B17R2.215 Brc1ccc(cc1)NCc2cccc(c2)Br 270302a_100000210018_100000210085 [0,2,0,0,0,0|2,0,0]=4 13921 B17R2.215 Brc1ccc(cc1)NCc2cccc(c2)Br 34a_100000210018_100000698116 [0,2,0,0,0,0|2,0,0]=4 13922 B17R2.215 Brc1ccc(cc1)NCc2cccc(c2)I 207a_100000210018_100000014684 [0,2,0,0,0,0|2,0,0]=4 13923 B17R2.215 Brc1ccc(cc1)NCc2cccc(c2)I 2230a_100000210018_100011218688 [0,2,0,0,0,0|2,0,0]=4 13924 B17R2.215 Brc1ccc(cc1)NCc2cccc(c2)I 270302a_100000210018_100000014684 [0,2,0,0,0,0|2,0,0]=4 13925 B17R2.215 Brc1ccc(cc1)NCc2cccc(c2)I 34a_100000210018_100011218688 [0,2,0,0,0,0|2,0,0]=4 13926 B17R2.215 Brc1ccc(cc1)OCc2cccc(c2)Br 34a_100000185759_100000698116 [0,2,0,0,0,0|1,1,0]=4 13927 B17R2.215 Brc1ccc(cc1)OCc2cccc(c2)Br 7a_100000185759_100000211773 [0,2,0,0,0,0|1,1,0]=4 13928 B17R2.215 Brc1ccc(cc1)OCc2cccc(c2)I 34a_100000185759_100011218688 [0,2,0,0,0,0|1,1,0]=4 13929 B17R2.215 Brc1ccc(cc1)OCc2cccc(c2)I 7a_100000185759_100011218688 [0,2,0,0,0,0|1,1,0]=4 13930 B17R2.215 Brc1ccc(cc1)SCc2cc(ccn2)Br 62a_100000752885_100010173614 [0,2,0,0,0,0|2,0,0]=4 13931 B17R2.215 Brc1ccc(cc1)SCc2cc(ccn2)Br 62a_100010173614_100000752885 [0,2,0,0,0,0|2,0,0]=4 13932 B17R2.215 Brc1ccc(cc1)SCc2cccc(c2)Br 62a_100000211773_100000752885 [0,2,0,0,0,0|1,0,0]=3 13933 B17R2.215 Brc1ccc(cc1)SCc2cccc(c2)Br 62a_100000752885_100000211773 [0,2,0,0,0,0|1,0,0]=3 13934 B17R2.215 Brc1ccc(cc1)SCc2cccc(c2)I 62a_100000752885_100011218688 [0,2,0,0,0,0|1,0,0]=3 13935 B17R2.215 Brc1ccc(cc1)SCc2cccc(c2)I 62a_100011218688_100000752885 [0,2,0,0,0,0|1,0,0]=3 13936 B17R2.215 Brc1ccc(cc1)SCc2cccc(n2)Br 62a_100000752885_100009889011 [0,2,0,0,0,0|2,0,0]=4 13937 B17R2.215 Brc1ccc(cc1)SCc2cccc(n2)Br 62a_100009889011_100000752885 [0,2,0,0,0,0|2,0,0]=4 13938 B17R2.215 Brc1ccc(cc1)SCc2ccnc(c2)Br 62a_100000752885_100010243470 [0,2,0,0,0,0|2,0,0]=4 13939 B17R2.215 Brc1ccc(cc1)SCc2ccnc(c2)Br 62a_100010254460_100000752885 [0,2,0,0,0,0|2,0,0]=4 13940 B17R2.215 Brc1ccc(cc1)SCc2cncc(c2)Br 62a_100000738771_100000752885 [0,2,0,0,0,0|2,0,0]=4 13941 B17R2.215 Brc1ccc(cc1)SCc2cncc(c2)Br 62a_100000752885_100000738771 [0,2,0,0,0,0|2,0,0]=4 13942 B17R2.215 Brc1ccc(cn1)SCc2cccc(c2)I 62a_100009814638_100011218688 [0,2,0,0,0,0|2,0,0]=4 13943 B17R2.215 Brc1ccc(cn1)SCc2cccc(c2)I 62a_100011218688_100009814638 [0,2,0,0,0,0|2,0,0]=4 13944 B17R2.215 Brc1ccc(nc1)CSc2cccc(c2)Br 62a_100000691529_100000702658 [0,2,0,0,0,0|2,0,0]=4 13945 B17R2.215 Brc1ccc(nc1)CSc2cccc(c2)Br 62a_100000702658_100000691529 [0,2,0,0,0,0|2,0,0]=4 13946 B17R2.215 Brc1ccc(nc1)SCc2cccc(c2)Br 62a_100000211773_100000686858 [0,2,0,0,0,0|2,0,0]=4 13947 B17R2.215 Brc1ccc(nc1)SCc2cccc(c2)Br 62a_100000686858_100000211773 [0,2,0,0,0,0|2,0,0]=4 13948 B17R2.215 Brc1ccc(nc1)SCc2cccc(c2)I 62a_100000686858_100011218688 [0,2,0,0,0,0|2,0,0]=4 13949 B17R2.215 Brc1ccc(nc1)SCc2cccc(c2)I 62a_100011218688_100000686858 [0,2,0,0,0,0|2,0,0]=4 13950 B17R2.215 Brc1cccc(c1)CNc2ccc(cc2)I 207a_100000185761_100000210085 [0,2,0,0,0,0|2,0,0]=4 13951 B17R2.215 Brc1cccc(c1)CNc2ccc(cc2)I 270302a_100000185761_100000210085 [0,2,0,0,0,0|2,0,0]=4 13952 B17R2.215 Brc1cccc(c1)CNc2ccc(cc2)I 34a_100000185761_100000698116 [0,2,0,0,0,0|2,0,0]=4 13953 B17R2.215 Brc1cccc(c1)COc2ccc(cc2)I 34a_100000212066_100000698116 [0,2,0,0,0,0|1,1,0]=4 13954 B17R2.215 Brc1cccc(c1)COc2ccc(cc2)I 7a_100000212066_100000211773 [0,2,0,0,0,0|1,1,0]=4 13955 B17R2.215 Brc1cccc(c1)CSc2ccc(nc2)Br 62a_100000211773_100009814638 [0,2,0,0,0,0|2,0,0]=4 13956 B17R2.215 Brc1cccc(c1)CSc2ccc(nc2)Br 62a_100009814638_100000211773 [0,2,0,0,0,0|2,0,0]=4 13957 B17R2.215 Brc1cccc(c1)NCc2ccc(cc2)I 207a_100000210019_100000188517 [0,2,0,0,0,0|2,0,0]=4 13958 B17R2.215 Brc1cccc(c1)NCc2ccc(cc2)I 270302a_100000210019_100000188517 [0,2,0,0,0,0|2,0,0]=4 13959 B17R2.215 Brc1cccc(c1)NCc2ccc(cc2)I 34a_100000210019_100000189116 [0,2,0,0,0,0|2,0,0]=4 13960 B17R2.215 Brc1cccc(c1)OCc2ccc(cc2)I 34a_100000210342_100000189116 [0,2,0,0,0,0|1,1,0]=4 13961 B17R2.215 Brc1cccc(c1)OCc2ccc(cc2)I 7a_100000210342_100000189116 [0,2,0,0,0,0|1,1,0]=4 13962 B17R2.215 Brc1cccc(c1)SCc2ccc(cc2)I 62a_100000189116_100000691529 [0,2,0,0,0,0|1,0,0]=3 13963 B17R2.215 Brc1cccc(c1)SCc2ccc(cc2)I 62a_100000691529_100000189116 [0,2,0,0,0,0|1,0,0]=3 13964 B17R2.215 Brc1cccc(c1)SCc2ccc(nc2)Br 62a_100000691529_100009831999 [0,2,0,0,0,0|2,0,0]=4 13965 B17R2.215 Brc1cccc(c1)SCc2ccc(nc2)Br 62a_100009831999_100000691529 [0,2,0,0,0,0|2,0,0]=4 13966 B17R2.215 Brc1cccc(n1)SCc2ccc(cc2)I 62a_100000189116_100000684672 [0,2,0,0,0,0|2,0,0]=4 13967 B17R2.215 Brc1cccc(n1)SCc2ccc(cc2)I 62a_100000684672_100000189116 [0,2,0,0,0,0|2,0,0]=4 13968 B17R2.215 Brc1cncc(c1)SCc2ccc(cc2)I 62a_100000189116_100000728054 [0,2,0,0,0,0|2,0,0]=4 13969 B17R2.215 Brc1cncc(c1)SCc2ccc(cc2)I 62a_100000728054_100000189116 [0,2,0,0,0,0|2,0,0]=4 13970 B17R2.215 C[n+]1cccc(c1)SCc2ccc(cc2)Br 62a_100000189115_100009996589 [0,2,0,0,0,0|2,0,0]=4 13971 B17R2.215 C[n+]1cccc(c1)SCc2ccc(cc2)Br 62a_100009996589_100000189115 [0,2,0,0,0,0|2,0,0]=4 13972 B17R2.215 C[n+]1cccc(c1)SCc2ccc(cc2)Cl 62a_100000187161_100009996589 [0,2,0,0,0,0|2,0,0]=4 13973 B17R2.215 C[n+]1cccc(c1)SCc2ccc(cc2)Cl 62a_100009996589_100000187161 [0,2,0,0,0,0|2,0,0]=4 13974 B17R2.215 C[n+]1cccc(c1)SCc2ccc(cc2)F 62a_100000198546_100009996589 [0,2,0,0,0,0|2,0,0]=4 13975 B17R2.215 C[n+]1cccc(c1)SCc2ccc(cc2)F 62a_100009996589_100000187164 [0,2,0,0,0,0|2,0,0]=4 13976 B17R2.215 C[n+]1cccc(c1)SCc2ccc(cc2)I 62a_100000189116_100009996589 [0,2,0,0,0,0|2,0,0]=4 13977 B17R2.215 C[n+]1cccc(c1)SCc2ccc(cc2)I 62a_100009996589_100000189116 [0,2,0,0,0,0|2,0,0]=4 13978 B17R2.215 Cc1cc(ccn1)CSc2ccc(cc2)Br 62a_100000752885_200020672517 [0,2,0,0,0,0|2,0,0]=4 13979 B17R2.215 Cc1cc(ccn1)CSc2ccc(cc2)Br 62a_200020672517_100000752885 [0,2,0,0,0,0|2,0,0]=4 13980 B17R2.215 Cc1cc(ccn1)CSc2ccc(cc2)Cl 62a_100000755918_200020672517 [0,2,0,0,0,0|2,0,0]=4 13981 B17R2.215 Cc1cc(ccn1)CSc2ccc(cc2)Cl 62a_200020672517_100000755918 [0,2,0,0,0,0|2,0,0]=4 13982 B17R2.215 Cc1cc(ccn1)CSc2ccc(cc2)F 62a_100000211213_200020672517 [0,2,0,0,0,0|2,0,0]=4 13983 B17R2.215 Cc1cc(ccn1)CSc2ccc(cc2)F 62a_200020672517_100000211213 [0,2,0,0,0,0|2,0,0]=4 13984 B17R2.215 Cc1cc(ccn1)CSc2ccc(cc2)N 62a_100000185761_200020672517 [0,2,0,0,0,0|2,0,0]=4 13985 B17R2.215 Cc1cc(ccn1)CSc2ccc(cc2)N 62a_200020672517_100000185761 [0,2,0,0,0,0|2,0,0]=4 13986 B17R2.215 Cc1cc(ccn1)CSc2ccc(cc2)O 62a_200020672517_100000185759 [0,2,0,0,0,0|2,0,0]=4 13987 B17R2.215 Cc1cc(ccn1)SCc2ccc(cc2)Br 62a_100000189115_100000758586 [0,2,0,0,0,0|2,0,0]=4 13988 B17R2.215 Cc1cc(ccn1)SCc2ccc(cc2)Br 62a_100000758586_100000189115 [0,2,0,0,0,0|2,0,0]=4 13989 B17R2.215 Cc1cc(ccn1)SCc2ccc(cc2)Cl 62a_100000187161_100000758586 [0,2,0,0,0,0|2,0,0]=4 13990 B17R2.215 Cc1cc(ccn1)SCc2ccc(cc2)Cl 62a_100000758586_100000187161 [0,2,0,0,0,0|2,0,0]=4 13991 B17R2.215 Cc1cc(ccn1)SCc2ccc(cc2)F 62a_100000198546_100000758586 [0,2,0,0,0,0|2,0,0]=4 13992 B17R2.215 Cc1cc(ccn1)SCc2ccc(cc2)F 62a_100000758586_100000187164 [0,2,0,0,0,0|2,0,0]=4 13993 B17R2.215 Cc1cc(ccn1)SCc2ccc(cc2)I 62a_100000189116_100000758586 [0,2,0,0,0,0|2,0,0]=4 13994 B17R2.215 Cc1cc(ccn1)SCc2ccc(cc2)I 62a_100000758586_100000189116 [0,2,0,0,0,0|2,0,0]=4 13995 B17R2.215 Cc1ccc(cc1)C=Cc2cccc(c2)Br 271570a_100102527916_100000691529 [0,2,0,0,0,0|2,0,0]=4 13996 B17R2.215 Cc1ccc(cc1)C=Cc2cccc(c2)C 271570a_100102527916_100011215228 [0,2,0,0,0,0|2,0,0]=4 13997 B17R2.215 Cc1ccc(cc1)C=Cc2cccc(c2)C 271570a_200135466880_100000186775 [0,2,0,0,0,0|2,0,0]=4 13998 B17R2.215 Cc1ccc(cc1)C=Cc2cccc(c2)Cl 271570a_100102525933_100000186775 [0,2,0,0,0,0|2,0,0]=4 13999 B17R2.215 Cc1ccc(cc1)C=Cc2cccc(c2)Cl 271570a_100102527916_100000699651 [0,2,0,0,0,0|2,0,0]=4 14000 B17R2.215 Cc1ccc(cc1)C=Cc2cccc(c2)F 271570a_100102525537_100000186775 [0,2,0,0,0,0|2,0,0]=4 14001 B17R2.215 Cc1ccc(cc1)C=Cc2cccc(c2)F 271570a_100102527916_100000685547 [0,2,0,0,0,0|2,0,0]=4 14002 B17R2.215 Cc1ccc(cc1)C=Cc2cccc(c2)N 271570a_100102527916_100000210019 [0,2,0,0,0,0|2,0,0]=4 14003 B17R2.215 Cc1ccc(cc1)C=Cc2cccc(c2)O 271570a_100102527916_100000211634 [0,2,0,0,0,0|2,0,0]=4 14004 B17R2.215 Cc1ccc(cc1)C=Cc2cccc(c2)[S] 271570a_100102527916_114929384022 [0,2,0,0,0,0|2,0,0]=4 14005 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)Br 207a_100000210019_100000211033 [0,2,0,0,0,0|2,0,0]=4 14006 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)Br 270302a_100000210019_100000211033 [0,2,0,0,0,0|2,0,0]=4 14007 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)Br 34a_100000210019_100000210814 [0,2,0,0,0,0|2,0,0]=4 14008 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)C 207a_100000188690_100000211033 [0,2,0,0,0,0|2,0,0]=4 14009 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)C 2230a_100000188690_100000210814 [0,2,0,0,0,0|2,0,0]=4 14010 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)C 270302a_100000188690_100000211033 [0,2,0,0,0,0|2,0,0]=4 14011 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)C 34a_100000188690_100000210814 [0,2,0,0,0,0|2,0,0]=4 14012 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)Cl 207a_100000185859_100000211033 [0,2,0,0,0,0|2,0,0]=4 14013 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)Cl 270302a_100000185859_100000211033 [0,2,0,0,0,0|2,0,0]=4 14014 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)Cl 34a_100000185859_100000210814 [0,2,0,0,0,0|2,0,0]=4 14015 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)F 207a_100000210047_100000211033 [0,2,0,0,0,0|2,0,0]=4 14016 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)F 270302a_100000210047_100000211033 [0,2,0,0,0,0|2,0,0]=4 14017 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)F 34a_100000210047_100000210814 [0,2,0,0,0,0|2,0,0]=4 14018 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)I 207a_100000211102_100000211033 [0,2,0,0,0,0|2,0,0]=4 14019 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)I 270302a_100000211102_100000211033 [0,2,0,0,0,0|2,0,0]=4 14020 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)I 34a_100000211102_100000210814 [0,2,0,0,0,0|2,0,0]=4 14021 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)O 270302a_100000210217_100000211033 [0,2,0,0,0,0|2,0,0]=4 14022 B17R2.215 Cc1ccc(cc1)CNc2cccc(c2)O 34a_100000210217_100000210814 [0,2,0,0,0,0|2,0,0]=4 14023 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)Br 34a_100000210342_100000210814 [0,2,0,0,0,0|1,1,0]=4 14024 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)Br 7a_100000210342_100000210814 [0,2,0,0,0,0|1,1,0]=4 14025 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)C 34a_100000210337_100000210814 [0,2,0,0,0,0|1,1,0]=4 14026 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)C 7a_100000210337_100000210814 [0,2,0,0,0,0|1,1,0]=4 14027 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)Cl 34a_100000210295_100000210814 [0,2,0,0,0,0|1,1,0]=4 14028 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)Cl 7a_100000210295_100000210814 [0,2,0,0,0,0|1,1,0]=4 14029 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)F 34a_100000210426_100000210814 [0,2,0,0,0,0|1,1,0]=4 14030 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)F 7a_100000210426_100000210814 [0,2,0,0,0,0|1,1,0]=4 14031 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)I 34a_100000211634_100000210814 [0,2,0,0,0,0|1,1,0]=4 14032 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)I 7a_100000211634_100000210814 [0,2,0,0,0,0|1,1,0]=4 14033 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)N 34a_100000210217_100000210814 [0,2,0,0,0,0|1,1,0]=4 14034 B17R2.215 Cc1ccc(cc1)COc2cccc(c2)O 271570a_203496583355_200000151845 [0,2,0,0,0,0|1,1,0]=4 14035 B17R2.215 Cc1ccc(cc1)CSc2cc(=O)cc[nH]2 62a_100009817434_100000210814 [0,2,0,0,0,0|2,0,0]=4 14036 B17R2.215 Cc1ccc(cc1)CSc2cc(ccn2)C 62a_100000210814_100000750283 [0,2,0,0,0,0|2,0,0]=4 14037 B17R2.215 Cc1ccc(cc1)CSc2cc(ccn2)C 62a_100000750283_100000210814 [0,2,0,0,0,0|2,0,0]=4 14038 B17R2.215 Cc1ccc(cc1)CSc2cc(ccn2)Cl 62a_100000210814_100010167805 [0,2,0,0,0,0|2,0,0]=4 14039 B17R2.215 Cc1ccc(cc1)CSc2cc(ccn2)Cl 62a_100010167805_100000210814 [0,2,0,0,0,0|2,0,0]=4 14040 B17R2.215 Cc1ccc(cc1)CSc2cc(ccn2)F 62a_100000210814_100000764206 [0,2,0,0,0,0|2,0,0]=4 14041 B17R2.215 Cc1ccc(cc1)CSc2cc(ccn2)F 62a_100000764206_100000210814 [0,2,0,0,0,0|2,0,0]=4 14042 B17R2.215 Cc1ccc(cc1)CSc2cc(ccn2)N 62a_100000210814_100009814236 [0,2,0,0,0,0|2,0,0]=4 14043 B17R2.215 Cc1ccc(cc1)CSc2cc(ccn2)N 62a_100009814236_100000210814 [0,2,0,0,0,0|2,0,0]=4 14044 B17R2.215 Cc1ccc(cc1)CSc2cc(ccn2)O 62a_100000210814_100000762945 [0,2,0,0,0,0|2,0,0]=4 14045 B17R2.215 Cc1ccc(cc1)CSc2cc[nH]c(=O)c2 62a_100000210814_100009816521 [0,2,0,0,0,0|2,0,0]=4 14046 B17R2.215 Cc1ccc(cc1)CSc2cc[nH]c(=O)c2 62a_100009816521_100000210814 [0,2,0,0,0,0|2,0,0]=4 14047 B17R2.215 Cc1ccc(cc1)CSc2ccc[n+](c2)C 62a_100000210814_100009996589 [0,2,0,0,0,0|2,0,0]=4 14048 B17R2.215 Cc1ccc(cc1)CSc2ccc[n+](c2)C 62a_100009996589_100000210814 [0,2,0,0,0,0|2,0,0]=4 14049 B17R2.215 Cc1ccc(cc1)CSc2ccc[n+](c2)[O-] 62a_100000210814_100009815978 [0,2,0,0,0,0|2,0,0]=4 14050 B17R2.215 Cc1ccc(cc1)CSc2cccc(=O)[nH]2 62a_100000210814_100000752884 [0,2,0,0,0,0|2,0,0]=4 14051 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)Br 62a_100000210814_100000691529 [0,2,0,0,0,0|1,0,0]=3 14052 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)Br 62a_100000691529_100000210814 [0,2,0,0,0,0|1,0,0]=3 14053 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)C 62a_100000210814_100011215228 [0,2,0,0,0,0|1,0,0]=3 14054 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)C 62a_100011215228_100000210814 [0,2,0,0,0,0|1,0,0]=3 14055 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)Cl 62a_100000210814_100000699651 [0,2,0,0,0,0|1,0,0]=3 14056 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)Cl 62a_100000699651_100000210814 [0,2,0,0,0,0|1,0,0]=3 14057 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)F 62a_100000210814_100000685547 [0,2,0,0,0,0|1,0,0]=3 14058 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)F 62a_100000685547_100000210814 [0,2,0,0,0,0|1,0,0]=3 14059 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)N 62a_100000210019_100000210814 [0,2,0,0,0,0|1,0,0]=3 14060 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)N 62a_100000210814_100000210019 [0,2,0,0,0,0|1,0,0]=3 14061 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)O 62a_100000210814_100000211634 [0,2,0,0,0,0|1,0,0]=3 14062 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)[S] 62a_100000210814_114929384022 [0,2,0,0,0,0|1,0,0]=3 14063 B17R2.215 Cc1ccc(cc1)CSc2cccc(c2)[S] 62a_114929384022_100000210814 [0,2,0,0,0,0|1,0,0]=3 14064 B17R2.215 Cc1ccc(cc1)CSc2cccc(n2)Br 62a_100000210814_100000684672 [0,2,0,0,0,0|2,0,0]=4 14065 B17R2.215 Cc1ccc(cc1)CSc2cccc(n2)Br 62a_100000684672_100000210814 [0,2,0,0,0,0|2,0,0]=4 14066 B17R2.215 Cc1ccc(cc1)CSc2cccc(n2)C 62a_100000210814_100000742759 [0,2,0,0,0,0|2,0,0]=4 14067 B17R2.215 Cc1ccc(cc1)CSc2cccc(n2)C 62a_100000742759_100000210814 [0,2,0,0,0,0|2,0,0]=4 14068 B17R2.215 Cc1ccc(cc1)CSc2cccc(n2)Cl 62a_100000051397_100000210814 [0,2,0,0,0,0|2,0,0]=4 14069 B17R2.215 Cc1ccc(cc1)CSc2cccc(n2)Cl 62a_100000210814_100000051397 [0,2,0,0,0,0|2,0,0]=4 14070 B17R2.215 Cc1ccc(cc1)CSc2cccc(n2)F 62a_100000210814_100009815982 [0,2,0,0,0,0|2,0,0]=4 14071 B17R2.215 Cc1ccc(cc1)CSc2cccc(n2)F 62a_100009815982_100000210814 [0,2,0,0,0,0|2,0,0]=4 14072 B17R2.215 Cc1ccc(cc1)CSc2cccc(n2)N 62a_100000210814_100000740741 [0,2,0,0,0,0|2,0,0]=4 14073 B17R2.215 Cc1ccc(cc1)CSc2cccc(n2)N 62a_100000740741_100000210814 [0,2,0,0,0,0|2,0,0]=4 14074 B17R2.215 Cc1ccc(cc1)CSc2ccnc(c2)Br 62a_100000210814_100009814637 [0,2,0,0,0,0|2,0,0]=4 14075 B17R2.215 Cc1ccc(cc1)CSc2ccnc(c2)Br 62a_100009814637_100000210814 [0,2,0,0,0,0|2,0,0]=4 14076 B17R2.215 Cc1ccc(cc1)CSc2ccnc(c2)C 62a_100000210814_100000758586 [0,2,0,0,0,0|2,0,0]=4 14077 B17R2.215 Cc1ccc(cc1)CSc2ccnc(c2)C 62a_100000758586_100000210814 [0,2,0,0,0,0|2,0,0]=4 14078 B17R2.215 Cc1ccc(cc1)CSc2ccnc(c2)Cl 62a_100000035001_100000210814 [0,2,0,0,0,0|2,0,0]=4 14079 B17R2.215 Cc1ccc(cc1)CSc2ccnc(c2)Cl 62a_100000210814_100000035001 [0,2,0,0,0,0|2,0,0]=4 14080 B17R2.215 Cc1ccc(cc1)CSc2ccnc(c2)F 62a_100000210814_100009816116 [0,2,0,0,0,0|2,0,0]=4 14081 B17R2.215 Cc1ccc(cc1)CSc2ccnc(c2)F 62a_100009816116_100000210814 [0,2,0,0,0,0|2,0,0]=4 14082 B17R2.215 Cc1ccc(cc1)CSc2ccnc(c2)N 62a_100000049665_100000210814 [0,2,0,0,0,0|2,0,0]=4 14083 B17R2.215 Cc1ccc(cc1)CSc2ccnc(c2)N 62a_100000210814_100000049665 [0,2,0,0,0,0|2,0,0]=4 14084 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)Br 62a_100000210814_100000728054 [0,2,0,0,0,0|2,0,0]=4 14085 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)Br 62a_100000728054_100000210814 [0,2,0,0,0,0|2,0,0]=4 14086 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)C 62a_100000210814_100000760492 [0,2,0,0,0,0|2,0,0]=4 14087 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)C 62a_100000760492_100000210814 [0,2,0,0,0,0|2,0,0]=4 14088 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)Cl 62a_100000049639_100000210814 [0,2,0,0,0,0|2,0,0]=4 14089 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)Cl 62a_100000210814_100000049639 [0,2,0,0,0,0|2,0,0]=4 14090 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)F 62a_100000210814_100000744099 [0,2,0,0,0,0|2,0,0]=4 14091 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)F 62a_100000744099_100000210814 [0,2,0,0,0,0|2,0,0]=4 14092 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)N 62a_100000210814_100000687067 [0,2,0,0,0,0|2,0,0]=4 14093 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)N 62a_100000687067_100000210814 [0,2,0,0,0,0|2,0,0]=4 14094 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)O 62a_100000210814_100000754920 [0,2,0,0,0,0|2,0,0]=4 14095 B17R2.215 Cc1ccc(cc1)CSc2cncc(c2)O 62a_100000754920_100000210814 [0,2,0,0,0,0|2,0,0]=4 14096 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)Br 207a_100000124888_100000210085 [0,2,0,0,0,0|2,0,0]=4 14097 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)Br 270302a_100000124888_100000210085 [0,2,0,0,0,0|2,0,0]=4 14098 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)Br 34a_100000124888_100000698116 [0,2,0,0,0,0|2,0,0]=4 14099 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)C 207a_100000124888_100000211157 [0,2,0,0,0,0|2,0,0]=4 14100 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)C 270302a_100000124888_100000211157 [0,2,0,0,0,0|2,0,0]=4 14101 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)C 34a_100000124888_100000211840 [0,2,0,0,0,0|2,0,0]=4 14102 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)Cl 207a_100000124888_100000210801 [0,2,0,0,0,0|2,0,0]=4 14103 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)Cl 270302a_100000124888_100000210801 [0,2,0,0,0,0|2,0,0]=4 14104 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)Cl 34a_100000124888_100000187163 [0,2,0,0,0,0|2,0,0]=4 14105 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)F 207a_100000124888_100000210812 [0,2,0,0,0,0|2,0,0]=4 14106 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)F 270302a_100000124888_100000210812 [0,2,0,0,0,0|2,0,0]=4 14107 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)F 34a_100000124888_100000187166 [0,2,0,0,0,0|2,0,0]=4 14108 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)I 207a_100000124888_100000014684 [0,2,0,0,0,0|2,0,0]=4 14109 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)I 270302a_100000124888_100000014684 [0,2,0,0,0,0|2,0,0]=4 14110 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)I 34a_100000124888_100011218688 [0,2,0,0,0,0|2,0,0]=4 14111 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)O 207a_100000124888_100000188321 [0,2,0,0,0,0|2,0,0]=4 14112 B17R2.215 Cc1ccc(cc1)NCc2cccc(c2)O 34a_100000124888_100011660834 [0,2,0,0,0,0|2,0,0]=4 14113 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)Br 34a_100000210336_100000698116 [0,2,0,0,0,0|1,1,0]=4 14114 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)Br 7a_100000210336_100000211773 [0,2,0,0,0,0|1,1,0]=4 14115 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)C 34a_100000210336_100000211840 [0,2,0,0,0,0|1,1,0]=4 14116 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)C 7a_100000210336_100000211840 [0,2,0,0,0,0|1,1,0]=4 14117 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)Cl 34a_100000210336_100000187163 [0,2,0,0,0,0|1,1,0]=4 14118 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)Cl 7a_100000210336_100000187163 [0,2,0,0,0,0|1,1,0]=4 14119 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)F 34a_100000210336_100000187166 [0,2,0,0,0,0|1,1,0]=4 14120 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)F 7a_100000210336_100000230114 [0,2,0,0,0,0|1,1,0]=4 14121 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)I 34a_100000210336_100011218688 [0,2,0,0,0,0|1,1,0]=4 14122 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)I 7a_100000210336_100011218688 [0,2,0,0,0,0|1,1,0]=4 14123 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)O 34a_100000210336_100011660834 [0,2,0,0,0,0|1,1,0]=4 14124 B17R2.215 Cc1ccc(cc1)OCc2cccc(c2)O 7a_100000210336_100000084143 [0,2,0,0,0,0|1,1,0]=4 14125 B17R2.215 Cc1ccc(cc1)SCc2cc(ccn2)Br 62a_100000186775_100010173614 [0,2,0,0,0,0|2,0,0]=4 14126 B17R2.215 Cc1ccc(cc1)SCc2cc(ccn2)Br 62a_100010173614_100000186775 [0,2,0,0,0,0|2,0,0]=4 14127 B17R2.215 Cc1ccc(cc1)SCc2cc(ccn2)C 62a_100000186775_100000718516 [0,2,0,0,0,0|2,0,0]=4 14128 B17R2.215 Cc1ccc(cc1)SCc2cc(ccn2)C 62a_100000718516_100000186775 [0,2,0,0,0,0|2,0,0]=4 14129 B17R2.215 Cc1ccc(cc1)SCc2cc(ccn2)Cl 62a_100000186775_100016988179 [0,2,0,0,0,0|2,0,0]=4 14130 B17R2.215 Cc1ccc(cc1)SCc2cc(ccn2)Cl 62a_100016988179_100000186775 [0,2,0,0,0,0|2,0,0]=4 14131 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)Br 62a_100000186775_100000211773 [0,2,0,0,0,0|1,0,0]=3 14132 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)Br 62a_100000211773_100000186775 [0,2,0,0,0,0|1,0,0]=3 14133 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)C 62a_100000186775_100000211840 [0,2,0,0,0,0|1,0,0]=3 14134 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)C 62a_100000211840_100000186775 [0,2,0,0,0,0|1,0,0]=3 14135 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)Cl 62a_100000186775_100000187163 [0,2,0,0,0,0|1,0,0]=3 14136 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)Cl 62a_100000187163_100000186775 [0,2,0,0,0,0|1,0,0]=3 14137 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)F 62a_100000186775_100000230114 [0,2,0,0,0,0|1,0,0]=3 14138 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)F 62a_100000230114_100000186775 [0,2,0,0,0,0|1,0,0]=3 14139 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)I 62a_100000186775_100011218688 [0,2,0,0,0,0|1,0,0]=3 14140 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)I 62a_100011218688_100000186775 [0,2,0,0,0,0|1,0,0]=3 14141 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)O 62a_100000186775_100011660834 [0,2,0,0,0,0|1,0,0]=3 14142 B17R2.215 Cc1ccc(cc1)SCc2cccc(c2)O 62a_100011660834_100000186775 [0,2,0,0,0,0|1,0,0]=3 14143 B17R2.215 Cc1ccc(cc1)SCc2cccc(n2)Br 62a_100000186775_100009889011 [0,2,0,0,0,0|2,0,0]=4 14144 B17R2.215 Cc1ccc(cc1)SCc2cccc(n2)Br 62a_100009889011_100000186775 [0,2,0,0,0,0|2,0,0]=4 14145 B17R2.215 Cc1ccc(cc1)SCc2cccc(n2)C 62a_100000186775_100000757606 [0,2,0,0,0,0|2,0,0]=4 14146 B17R2.215 Cc1ccc(cc1)SCc2cccc(n2)C 62a_100000757606_100000186775 [0,2,0,0,0,0|2,0,0]=4 14147 B17R2.215 Cc1ccc(cc1)SCc2cccc(n2)Cl 62a_100000086093_100000186775 [0,2,0,0,0,0|2,0,0]=4 14148 B17R2.215 Cc1ccc(cc1)SCc2cccc(n2)Cl 62a_100000186775_100000086093 [0,2,0,0,0,0|2,0,0]=4 14149 B17R2.215 Cc1ccc(cc1)SCc2cccc(n2)F 62a_100000186775_100009819644 [0,2,0,0,0,0|2,0,0]=4 14150 B17R2.215 Cc1ccc(cc1)SCc2cccc(n2)F 62a_100009819644_100000186775 [0,2,0,0,0,0|2,0,0]=4 14151 B17R2.215 Cc1ccc(cc1)SCc2ccnc(c2)Br 62a_100000186775_100010243470 [0,2,0,0,0,0|2,0,0]=4 14152 B17R2.215 Cc1ccc(cc1)SCc2ccnc(c2)Br 62a_100010254460_100000186775 [0,2,0,0,0,0|2,0,0]=4 14153 B17R2.215 Cc1ccc(cc1)SCc2ccnc(c2)C 62a_100000186775_200020672517 [0,2,0,0,0,0|2,0,0]=4 14154 B17R2.215 Cc1ccc(cc1)SCc2ccnc(c2)C 62a_200020672517_100000186775 [0,2,0,0,0,0|2,0,0]=4 14155 B17R2.215 Cc1ccc(cc1)SCc2ccnc(c2)Cl 62a_100000186775_100000764220 [0,2,0,0,0,0|2,0,0]=4 14156 B17R2.215 Cc1ccc(cc1)SCc2ccnc(c2)Cl 62a_100000764220_100000186775 [0,2,0,0,0,0|2,0,0]=4 14157 B17R2.215 Cc1ccc(cc1)SCc2cncc(c2)Br 62a_100000186775_100000738771 [0,2,0,0,0,0|2,0,0]=4 14158 B17R2.215 Cc1ccc(cc1)SCc2cncc(c2)Br 62a_100000738771_100000186775 [0,2,0,0,0,0|2,0,0]=4 14159 B17R2.215 Cc1ccc(cc1)SCc2cncc(c2)C 62a_100000186775_100000716715 [0,2,0,0,0,0|2,0,0]=4 14160 B17R2.215 Cc1ccc(cc1)SCc2cncc(c2)C 62a_100000716715_100000186775 [0,2,0,0,0,0|2,0,0]=4 14161 B17R2.215 Cc1ccc(cc1)SCc2cncc(c2)Cl 62a_100000186775_100016992070 [0,2,0,0,0,0|2,0,0]=4 14162 B17R2.215 Cc1ccc(cc1)SCc2cncc(c2)Cl 62a_100016992070_100000186775 [0,2,0,0,0,0|2,0,0]=4 14163 B17R2.215 Cc1ccc(cc1)SCc2cncc(c2)F 62a_100000186775_100000725299 [0,2,0,0,0,0|2,0,0]=4 14164 B17R2.215 Cc1ccc(cc1)SCc2cncc(c2)F 62a_100000725299_100000186775 [0,2,0,0,0,0|2,0,0]=4 14165 B17R2.215 Cc1ccc(cn1)CSc2cccc(c2)Br 62a_100000691529_100016987292 [0,2,0,0,0,0|2,0,0]=4 14166 B17R2.215 Cc1ccc(cn1)CSc2cccc(c2)Br 62a_100016987292_100000691529 [0,2,0,0,0,0|2,0,0]=4 14167 B17R2.215 Cc1ccc(cn1)CSc2cccc(c2)Cl 62a_100000699651_100016987292 [0,2,0,0,0,0|2,0,0]=4 14168 B17R2.215 Cc1ccc(cn1)CSc2cccc(c2)Cl 62a_100016987292_100000699651 [0,2,0,0,0,0|2,0,0]=4 14169 B17R2.215 Cc1ccc(cn1)CSc2cccc(c2)F 62a_100000685547_100016987292 [0,2,0,0,0,0|2,0,0]=4 14170 B17R2.215 Cc1ccc(cn1)CSc2cccc(c2)F 62a_100016987292_100000685547 [0,2,0,0,0,0|2,0,0]=4 14171 B17R2.215 Cc1ccc(cn1)CSc2cccc(c2)N 62a_100000210019_100016987292 [0,2,0,0,0,0|2,0,0]=4 14172 B17R2.215 Cc1ccc(cn1)CSc2cccc(c2)N 62a_100016987292_100000210019 [0,2,0,0,0,0|2,0,0]=4 14173 B17R2.215 Cc1ccc(cn1)CSc2cccc(c2)O 62a_100016987292_100000211634 [0,2,0,0,0,0|2,0,0]=4 14174 B17R2.215 Cc1ccc(cn1)CSc2cccc(c2)[S] 62a_100016987292_114929384022 [0,2,0,0,0,0|2,0,0]=4 14175 B17R2.215 Cc1ccc(cn1)CSc2cccc(c2)[S] 62a_114929384022_100016987292 [0,2,0,0,0,0|2,0,0]=4 14176 B17R2.215 Cc1ccc(cn1)SCc2cccc(c2)Br 62a_100000211773_100000751577 [0,2,0,0,0,0|2,0,0]=4 14177 B17R2.215 Cc1ccc(cn1)SCc2cccc(c2)Br 62a_100000751577_100000211773 [0,2,0,0,0,0|2,0,0]=4 14178 B17R2.215 Cc1ccc(cn1)SCc2cccc(c2)Cl 62a_100000187163_100000751577 [0,2,0,0,0,0|2,0,0]=4 14179 B17R2.215 Cc1ccc(cn1)SCc2cccc(c2)Cl 62a_100000751577_100000187163 [0,2,0,0,0,0|2,0,0]=4 14180 B17R2.215 Cc1ccc(cn1)SCc2cccc(c2)F 62a_100000230114_100000751577 [0,2,0,0,0,0|2,0,0]=4 14181 B17R2.215 Cc1ccc(cn1)SCc2cccc(c2)F 62a_100000751577_100000230114 [0,2,0,0,0,0|2,0,0]=4 14182 B17R2.215 Cc1ccc(cn1)SCc2cccc(c2)I 62a_100000751577_100011218688 [0,2,0,0,0,0|2,0,0]=4 14183 B17R2.215 Cc1ccc(cn1)SCc2cccc(c2)I 62a_100011218688_100000751577 [0,2,0,0,0,0|2,0,0]=4 14184 B17R2.215 Cc1ccc(cn1)SCc2cccc(c2)O 62a_100000751577_100011660834 [0,2,0,0,0,0|2,0,0]=4 14185 B17R2.215 Cc1ccc(cn1)SCc2cccc(c2)O 62a_100011660834_100000751577 [0,2,0,0,0,0|2,0,0]=4 14186 B17R2.215 Cc1ccc(nc1)CSc2cccc(c2)Br 62a_100000691093_100000691529 [0,2,0,0,0,0|2,0,0]=4 14187 B17R2.215 Cc1ccc(nc1)CSc2cccc(c2)Br 62a_100000691529_100000691093 [0,2,0,0,0,0|2,0,0]=4 14188 B17R2.215 Cc1ccc(nc1)CSc2cccc(c2)C 62a_100000691093_100011215228 [0,2,0,0,0,0|2,0,0]=4 14189 B17R2.215 Cc1ccc(nc1)CSc2cccc(c2)C 62a_100011215228_100000691093 [0,2,0,0,0,0|2,0,0]=4 14190 B17R2.215 Cc1ccc(nc1)CSc2cccc(c2)Cl 62a_100000691093_100000699651 [0,2,0,0,0,0|2,0,0]=4 14191 B17R2.215 Cc1ccc(nc1)CSc2cccc(c2)Cl 62a_100000699651_100000691093 [0,2,0,0,0,0|2,0,0]=4 14192 B17R2.215 Cc1ccc(nc1)CSc2cccc(c2)F 62a_100000685547_100000691093 [0,2,0,0,0,0|2,0,0]=4 14193 B17R2.215 Cc1ccc(nc1)CSc2cccc(c2)F 62a_100000691093_100000685547 [0,2,0,0,0,0|2,0,0]=4 14194 B17R2.215 Cc1ccc(nc1)CSc2cccc(c2)N 62a_100000210019_100000691093 [0,2,0,0,0,0|2,0,0]=4 14195 B17R2.215 Cc1ccc(nc1)CSc2cccc(c2)N 62a_100000691093_100000210019 [0,2,0,0,0,0|2,0,0]=4 14196 B17R2.215 Cc1ccc(nc1)CSc2cccc(c2)O 62a_100000691093_100000211634 [0,2,0,0,0,0|2,0,0]=4 14197 B17R2.215 Cc1ccc(nc1)CSc2cccc(c2)[S] 62a_100000691093_114929384022 [0,2,0,0,0,0|2,0,0]=4 14198 B17R2.215 Cc1ccc(nc1)CSc2cccc(c2)[S] 62a_114929384022_100000691093 [0,2,0,0,0,0|2,0,0]=4 14199 B17R2.215 Cc1ccc(nc1)SCc2cccc(c2)Br 62a_100000211773_100000754016 [0,2,0,0,0,0|2,0,0]=4 14200 B17R2.215 Cc1ccc(nc1)SCc2cccc(c2)Br 62a_100011192072_100000211773 [0,2,0,0,0,0|2,0,0]=4 14201 B17R2.215 Cc1ccc(nc1)SCc2cccc(c2)C 62a_100000211840_100000754016 [0,2,0,0,0,0|2,0,0]=4 14202 B17R2.215 Cc1ccc(nc1)SCc2cccc(c2)C 62a_100011192072_100000211840 [0,2,0,0,0,0|2,0,0]=4 14203 B17R2.215 Cc1ccc(nc1)SCc2cccc(c2)Cl 62a_100000187163_100000754016 [0,2,0,0,0,0|2,0,0]=4 14204 B17R2.215 Cc1ccc(nc1)SCc2cccc(c2)Cl 62a_100011192072_100000187163 [0,2,0,0,0,0|2,0,0]=4 14205 B17R2.215 Cc1ccc(nc1)SCc2cccc(c2)F 62a_100000230114_100000754016 [0,2,0,0,0,0|2,0,0]=4 14206 B17R2.215 Cc1ccc(nc1)SCc2cccc(c2)F 62a_100011192072_100000230114 [0,2,0,0,0,0|2,0,0]=4 14207 B17R2.215 Cc1ccc(nc1)SCc2cccc(c2)I 62a_100011192072_100011218688 [0,2,0,0,0,0|2,0,0]=4 14208 B17R2.215 Cc1ccc(nc1)SCc2cccc(c2)I 62a_100011218688_100000754016 [0,2,0,0,0,0|2,0,0]=4 14209 B17R2.215 Cc1ccc(nc1)SCc2cccc(c2)O 62a_100011192072_100011660834 [0,2,0,0,0,0|2,0,0]=4 14210 B17R2.215 Cc1ccc(nc1)SCc2cccc(c2)O 62a_100011660834_100000754016 [0,2,0,0,0,0|2,0,0]=4 14211 B17R2.215 Cc1cccc(c1)C=Cc2ccc(cc2)Br 271570a_100102527914_100011215228 [0,2,0,0,0,0|2,0,0]=4 14212 B17R2.215 Cc1cccc(c1)C=Cc2ccc(cc2)Br 271570a_200135466880_100000752885 [0,2,0,0,0,0|2,0,0]=4 14213 B17R2.215 Cc1cccc(c1)C=Cc2ccc(cc2)Cl 271570a_100102527930_100011215228 [0,2,0,0,0,0|2,0,0]=4 14214 B17R2.215 Cc1cccc(c1)C=Cc2ccc(cc2)Cl 271570a_200135466880_100000755918 [0,2,0,0,0,0|2,0,0]=4 14215 B17R2.215 Cc1cccc(c1)C=Cc2ccc(cc2)F 271570a_100102525539_100011215228 [0,2,0,0,0,0|2,0,0]=4 14216 B17R2.215 Cc1cccc(c1)C=Cc2ccc(cc2)F 271570a_200135466880_100000211213 [0,2,0,0,0,0|2,0,0]=4 14217 B17R2.215 Cc1cccc(c1)C=Cc2ccc(cc2)N 271570a_200135466880_100000185761 [0,2,0,0,0,0|2,0,0]=4 14218 B17R2.215 Cc1cccc(c1)C=Cc2ccc(cc2)O 271570a_200135466880_100000185759 [0,2,0,0,0,0|2,0,0]=4 14219 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)Br 207a_100000210018_100000211157 [0,2,0,0,0,0|2,0,0]=4 14220 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)Br 2230a_100000210018_100000211840 [0,2,0,0,0,0|2,0,0]=4 14221 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)Br 270302a_100000210018_100000211157 [0,2,0,0,0,0|2,0,0]=4 14222 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)Br 34a_100000210018_100000211840 [0,2,0,0,0,0|2,0,0]=4 14223 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)Cl 207a_100000210052_100000211157 [0,2,0,0,0,0|2,0,0]=4 14224 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)Cl 2230a_100000210052_100000211840 [0,2,0,0,0,0|2,0,0]=4 14225 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)Cl 270302a_100000210052_100000211157 [0,2,0,0,0,0|2,0,0]=4 14226 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)Cl 34a_100000210052_100000211840 [0,2,0,0,0,0|2,0,0]=4 14227 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)F 207a_100000185862_100000211157 [0,2,0,0,0,0|2,0,0]=4 14228 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)F 270302a_100000185862_100000211157 [0,2,0,0,0,0|2,0,0]=4 14229 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)F 34a_100000185862_100000211840 [0,2,0,0,0,0|2,0,0]=4 14230 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)I 207a_100000185761_100000211157 [0,2,0,0,0,0|2,0,0]=4 14231 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)I 270302a_100000185761_100000211157 [0,2,0,0,0,0|2,0,0]=4 14232 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)I 34a_100000185761_100000211840 [0,2,0,0,0,0|2,0,0]=4 14233 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)O 270302a_100000185829_100000211157 [0,2,0,0,0,0|2,0,0]=4 14234 B17R2.215 Cc1cccc(c1)CNc2ccc(cc2)O 34a_100000185829_100000211840 [0,2,0,0,0,0|2,0,0]=4 14235 B17R2.215 Cc1cccc(c1)COc2ccc(cc2)Br 34a_100000185759_100000211840 [0,2,0,0,0,0|1,1,0]=4 14236 B17R2.215 Cc1cccc(c1)COc2ccc(cc2)Br 7a_100000185759_100000211840 [0,2,0,0,0,0|1,1,0]=4 14237 B17R2.215 Cc1cccc(c1)COc2ccc(cc2)Cl 34a_100000210216_100000211840 [0,2,0,0,0,0|1,1,0]=4 14238 B17R2.215 Cc1cccc(c1)COc2ccc(cc2)Cl 7a_100000210216_100000211840 [0,2,0,0,0,0|1,1,0]=4 14239 B17R2.215 Cc1cccc(c1)COc2ccc(cc2)F 34a_100000210339_100000211840 [0,2,0,0,0,0|1,1,0]=4 14240 B17R2.215 Cc1cccc(c1)COc2ccc(cc2)I 34a_100000212066_100000211840 [0,2,0,0,0,0|1,1,0]=4 14241 B17R2.215 Cc1cccc(c1)COc2ccc(cc2)I 7a_100000212066_100000211840 [0,2,0,0,0,0|1,1,0]=4 14242 B17R2.215 Cc1cccc(c1)COc2ccc(cc2)N 34a_100000185829_100000211840 [0,2,0,0,0,0|1,1,0]=4 14243 B17R2.215 Cc1cccc(c1)CSc2cc[n+](cc2)[O-] 62a_100000211840_100000039755 [0,2,0,0,0,0|2,0,0]=4 14244 B17R2.215 Cc1cccc(c1)CSc2ccc(=O)[nH]c2 62a_100000211840_100000212171 [0,2,0,0,0,0|2,0,0]=4 14245 B17R2.215 Cc1cccc(c1)CSc2ccc(=O)[nH]c2 62a_100000212171_100000211840 [0,2,0,0,0,0|2,0,0]=4 14246 B17R2.215 Cc1cccc(c1)CSc2ccc(cc2)Br 62a_100000211840_100000752885 [0,2,0,0,0,0|1,0,0]=3 14247 B17R2.215 Cc1cccc(c1)CSc2ccc(cc2)Br 62a_100000752885_100000211840 [0,2,0,0,0,0|1,0,0]=3 14248 B17R2.215 Cc1cccc(c1)CSc2ccc(cc2)Cl 62a_100000211840_100000755918 [0,2,0,0,0,0|1,0,0]=3 14249 B17R2.215 Cc1cccc(c1)CSc2ccc(cc2)Cl 62a_100000755918_100000211840 [0,2,0,0,0,0|1,0,0]=3 14250 B17R2.215 Cc1cccc(c1)CSc2ccc(cc2)F 62a_100000211213_100000211840 [0,2,0,0,0,0|1,0,0]=3 14251 B17R2.215 Cc1cccc(c1)CSc2ccc(cc2)F 62a_100000211840_100000211213 [0,2,0,0,0,0|1,0,0]=3 14252 B17R2.215 Cc1cccc(c1)CSc2ccc(cc2)N 62a_100000185761_100000211840 [0,2,0,0,0,0|1,0,0]=3 14253 B17R2.215 Cc1cccc(c1)CSc2ccc(cc2)N 62a_100000211840_100000185761 [0,2,0,0,0,0|1,0,0]=3 14254 B17R2.215 Cc1cccc(c1)CSc2ccc(cc2)O 62a_100000211840_100000185759 [0,2,0,0,0,0|1,0,0]=3 14255 B17R2.215 Cc1cccc(c1)CSc2ccc(cn2)Br 62a_100000211840_100000686858 [0,2,0,0,0,0|2,0,0]=4 14256 B17R2.215 Cc1cccc(c1)CSc2ccc(cn2)Br 62a_100000686858_100000211840 [0,2,0,0,0,0|2,0,0]=4 14257 B17R2.215 Cc1cccc(c1)CSc2ccc(cn2)Cl 62a_100000211840_100011356976 [0,2,0,0,0,0|2,0,0]=4 14258 B17R2.215 Cc1cccc(c1)CSc2ccc(cn2)Cl 62a_100011356976_100000211840 [0,2,0,0,0,0|2,0,0]=4 14259 B17R2.215 Cc1cccc(c1)CSc2ccc(cn2)F 62a_100000211840_100000744514 [0,2,0,0,0,0|2,0,0]=4 14260 B17R2.215 Cc1cccc(c1)CSc2ccc(cn2)F 62a_100000744514_100000211840 [0,2,0,0,0,0|2,0,0]=4 14261 B17R2.215 Cc1cccc(c1)CSc2ccc(cn2)N 62a_100000211840_100000737798 [0,2,0,0,0,0|2,0,0]=4 14262 B17R2.215 Cc1cccc(c1)CSc2ccc(cn2)N 62a_100000737798_100000211840 [0,2,0,0,0,0|2,0,0]=4 14263 B17R2.215 Cc1cccc(c1)CSc2ccc(cn2)O 62a_100000211840_100000744096 [0,2,0,0,0,0|2,0,0]=4 14264 B17R2.215 Cc1cccc(c1)CSc2ccc(cn2)O 62a_100000685995_100000211840 [0,2,0,0,0,0|2,0,0]=4 14265 B17R2.215 Cc1cccc(c1)CSc2ccc(nc2)Br 62a_100000211840_100009814638 [0,2,0,0,0,0|2,0,0]=4 14266 B17R2.215 Cc1cccc(c1)CSc2ccc(nc2)Br 62a_100009814638_100000211840 [0,2,0,0,0,0|2,0,0]=4 14267 B17R2.215 Cc1cccc(c1)CSc2ccc(nc2)C 62a_100000211840_100000751577 [0,2,0,0,0,0|2,0,0]=4 14268 B17R2.215 Cc1cccc(c1)CSc2ccc(nc2)C 62a_100000751577_100000211840 [0,2,0,0,0,0|2,0,0]=4 14269 B17R2.215 Cc1cccc(c1)CSc2ccc(nc2)Cl 62a_100000034144_100000211840 [0,2,0,0,0,0|2,0,0]=4 14270 B17R2.215 Cc1cccc(c1)CSc2ccc(nc2)Cl 62a_100000211840_100000034144 [0,2,0,0,0,0|2,0,0]=4 14271 B17R2.215 Cc1cccc(c1)CSc2ccc(nc2)F 62a_100000042367_100000211840 [0,2,0,0,0,0|2,0,0]=4 14272 B17R2.215 Cc1cccc(c1)CSc2ccc(nc2)F 62a_100000211840_100000042367 [0,2,0,0,0,0|2,0,0]=4 14273 B17R2.215 Cc1cccc(c1)CSc2ccc(nc2)N 62a_100000187370_100000211840 [0,2,0,0,0,0|2,0,0]=4 14274 B17R2.215 Cc1cccc(c1)CSc2ccc(nc2)N 62a_100000211840_100000187370 [0,2,0,0,0,0|2,0,0]=4 14275 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)Br 207a_100000188690_100000186029 [0,2,0,0,0,0|2,0,0]=4 14276 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)Br 2230a_100000188690_100011217064 [0,2,0,0,0,0|2,0,0]=4 14277 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)Br 270302a_100000188690_100000186029 [0,2,0,0,0,0|2,0,0]=4 14278 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)Br 34a_100000188690_100000189115 [0,2,0,0,0,0|2,0,0]=4 14279 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)Cl 207a_100000188690_100000189385 [0,2,0,0,0,0|2,0,0]=4 14280 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)Cl 2230a_100000188690_100000694040 [0,2,0,0,0,0|2,0,0]=4 14281 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)Cl 270302a_100000188690_100000189385 [0,2,0,0,0,0|2,0,0]=4 14282 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)Cl 34a_100000188690_100000694040 [0,2,0,0,0,0|2,0,0]=4 14283 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)F 207a_100000188690_100000210084 [0,2,0,0,0,0|2,0,0]=4 14284 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)F 2230a_100000188690_100000198546 [0,2,0,0,0,0|2,0,0]=4 14285 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)F 270302a_100000188690_100000210084 [0,2,0,0,0,0|2,0,0]=4 14286 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)F 34a_100000188690_100000198546 [0,2,0,0,0,0|2,0,0]=4 14287 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)I 207a_100000188690_100000188517 [0,2,0,0,0,0|2,0,0]=4 14288 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)I 2230a_100000188690_100000189116 [0,2,0,0,0,0|2,0,0]=4 14289 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)I 270302a_100000188690_100000188517 [0,2,0,0,0,0|2,0,0]=4 14290 B17R2.215 Cc1cccc(c1)NCc2ccc(cc2)I 34a_100000188690_100000189116 [0,2,0,0,0,0|2,0,0]=4 14291 B17R2.215 Cc1cccc(c1)OCc2ccc(cc2)Br 34a_100000210337_100000189115 [0,2,0,0,0,0|1,1,0]=4 14292 B17R2.215 Cc1cccc(c1)OCc2ccc(cc2)Br 7a_100000210337_100011217064 [0,2,0,0,0,0|1,1,0]=4 14293 B17R2.215 Cc1cccc(c1)OCc2ccc(cc2)Cl 34a_100000210337_100000694040 [0,2,0,0,0,0|1,1,0]=4 14294 B17R2.215 Cc1cccc(c1)OCc2ccc(cc2)Cl 7a_100000210337_100000187161 [0,2,0,0,0,0|1,1,0]=4 14295 B17R2.215 Cc1cccc(c1)OCc2ccc(cc2)F 34a_100000210337_100000198546 [0,2,0,0,0,0|1,1,0]=4 14296 B17R2.215 Cc1cccc(c1)OCc2ccc(cc2)F 7a_100000210337_100000198546 [0,2,0,0,0,0|1,1,0]=4 14297 B17R2.215 Cc1cccc(c1)OCc2ccc(cc2)I 34a_100000210337_100000189116 [0,2,0,0,0,0|1,1,0]=4 14298 B17R2.215 Cc1cccc(c1)OCc2ccc(cc2)I 7a_100000210337_100000189116 [0,2,0,0,0,0|1,1,0]=4 14299 B17R2.215 Cc1cccc(c1)SCc2ccc(cc2)Br 62a_100000189115_100011215228 [0,2,0,0,0,0|1,0,0]=3 14300 B17R2.215 Cc1cccc(c1)SCc2ccc(cc2)Br 62a_100011215228_100000189115 [0,2,0,0,0,0|1,0,0]=3 14301 B17R2.215 Cc1cccc(c1)SCc2ccc(cc2)Cl 62a_100000187161_100011215228 [0,2,0,0,0,0|1,0,0]=3 14302 B17R2.215 Cc1cccc(c1)SCc2ccc(cc2)Cl 62a_100011215228_100000187161 [0,2,0,0,0,0|1,0,0]=3 14303 B17R2.215 Cc1cccc(c1)SCc2ccc(cc2)F 62a_100000198546_100011215228 [0,2,0,0,0,0|1,0,0]=3 14304 B17R2.215 Cc1cccc(c1)SCc2ccc(cc2)F 62a_100011215228_100000187164 [0,2,0,0,0,0|1,0,0]=3 14305 B17R2.215 Cc1cccc(c1)SCc2ccc(cc2)I 62a_100000189116_100011215228 [0,2,0,0,0,0|1,0,0]=3 14306 B17R2.215 Cc1cccc(c1)SCc2ccc(cc2)I 62a_100011215228_100000189116 [0,2,0,0,0,0|1,0,0]=3 14307 B17R2.215 Cc1cccc(c1)SCc2ccc(cn2)Br 62a_100000702658_100011215228 [0,2,0,0,0,0|2,0,0]=4 14308 B17R2.215 Cc1cccc(c1)SCc2ccc(cn2)Br 62a_100011215228_100000702658 [0,2,0,0,0,0|2,0,0]=4 14309 B17R2.215 Cc1cccc(c1)SCc2ccc(cn2)Cl 62a_100011215228_100000697101 [0,2,0,0,0,0|2,0,0]=4 14310 B17R2.215 Cc1cccc(c1)SCc2ccc(cn2)Cl 62a_100012066911_100011215228 [0,2,0,0,0,0|2,0,0]=4 14311 B17R2.215 Cc1cccc(c1)SCc2ccc(cn2)F 62a_100000703193_100011215228 [0,2,0,0,0,0|2,0,0]=4 14312 B17R2.215 Cc1cccc(c1)SCc2ccc(cn2)F 62a_100011215228_100000703193 [0,2,0,0,0,0|2,0,0]=4 14313 B17R2.215 Cc1cccc(c1)SCc2ccc(nc2)Br 62a_100009831999_100011215228 [0,2,0,0,0,0|2,0,0]=4 14314 B17R2.215 Cc1cccc(c1)SCc2ccc(nc2)Br 62a_100011215228_100009831999 [0,2,0,0,0,0|2,0,0]=4 14315 B17R2.215 Cc1cccc(c1)SCc2ccc(nc2)C 62a_100011215228_100016987292 [0,2,0,0,0,0|2,0,0]=4 14316 B17R2.215 Cc1cccc(c1)SCc2ccc(nc2)C 62a_100016987292_100011215228 [0,2,0,0,0,0|2,0,0]=4 14317 B17R2.215 Cc1cccc(c1)SCc2ccc(nc2)Cl 62a_100000735431_100011215228 [0,2,0,0,0,0|2,0,0]=4 14318 B17R2.215 Cc1cccc(c1)SCc2ccc(nc2)Cl 62a_100011215228_100000735431 [0,2,0,0,0,0|2,0,0]=4 14319 B17R2.215 Cc1cccc(c1)SCc2ccc(nc2)F 62a_100009820150_100011215228 [0,2,0,0,0,0|2,0,0]=4 14320 B17R2.215 Cc1cccc(c1)SCc2ccc(nc2)F 62a_100011215228_100000099788 [0,2,0,0,0,0|2,0,0]=4 14321 B17R2.215 Cc1cccc(n1)CSc2ccc(cc2)Br 62a_100000752885_100000757606 [0,2,0,0,0,0|2,0,0]=4 14322 B17R2.215 Cc1cccc(n1)CSc2ccc(cc2)Br 62a_100000757606_100000752885 [0,2,0,0,0,0|2,0,0]=4 14323 B17R2.215 Cc1cccc(n1)CSc2ccc(cc2)Cl 62a_100000755918_100000757606 [0,2,0,0,0,0|2,0,0]=4 14324 B17R2.215 Cc1cccc(n1)CSc2ccc(cc2)Cl 62a_100000757606_100000755918 [0,2,0,0,0,0|2,0,0]=4 14325 B17R2.215 Cc1cccc(n1)CSc2ccc(cc2)F 62a_100000211213_100000757606 [0,2,0,0,0,0|2,0,0]=4 14326 B17R2.215 Cc1cccc(n1)CSc2ccc(cc2)F 62a_100000757606_100000211213 [0,2,0,0,0,0|2,0,0]=4 14327 B17R2.215 Cc1cccc(n1)CSc2ccc(cc2)N 62a_100000185761_100000757606 [0,2,0,0,0,0|2,0,0]=4 14328 B17R2.215 Cc1cccc(n1)CSc2ccc(cc2)N 62a_100000757606_100000185761 [0,2,0,0,0,0|2,0,0]=4 14329 B17R2.215 Cc1cccc(n1)CSc2ccc(cc2)O 62a_100000757606_100000185759 [0,2,0,0,0,0|2,0,0]=4 14330 B17R2.215 Cc1cccc(n1)SCc2ccc(cc2)Br 62a_100000189115_100000742759 [0,2,0,0,0,0|2,0,0]=4 14331 B17R2.215 Cc1cccc(n1)SCc2ccc(cc2)Br 62a_100000742759_100000189115 [0,2,0,0,0,0|2,0,0]=4 14332 B17R2.215 Cc1cccc(n1)SCc2ccc(cc2)Cl 62a_100000187161_100000742759 [0,2,0,0,0,0|2,0,0]=4 14333 B17R2.215 Cc1cccc(n1)SCc2ccc(cc2)Cl 62a_100000742759_100000187161 [0,2,0,0,0,0|2,0,0]=4 14334 B17R2.215 Cc1cccc(n1)SCc2ccc(cc2)F 62a_100000198546_100000742759 [0,2,0,0,0,0|2,0,0]=4 14335 B17R2.215 Cc1cccc(n1)SCc2ccc(cc2)F 62a_100000742759_100000187164 [0,2,0,0,0,0|2,0,0]=4 14336 B17R2.215 Cc1cccc(n1)SCc2ccc(cc2)I 62a_100000189116_100000742759 [0,2,0,0,0,0|2,0,0]=4 14337 B17R2.215 Cc1cccc(n1)SCc2ccc(cc2)I 62a_100000742759_100000189116 [0,2,0,0,0,0|2,0,0]=4 14338 B17R2.215 Cc1ccnc(c1)CSc2ccc(cc2)Br 62a_100000718516_100000752885 [0,2,0,0,0,0|2,0,0]=4 14339 B17R2.215 Cc1ccnc(c1)CSc2ccc(cc2)Br 62a_100000752885_100000718516 [0,2,0,0,0,0|2,0,0]=4 14340 B17R2.215 Cc1ccnc(c1)CSc2ccc(cc2)Cl 62a_100000718516_100000755918 [0,2,0,0,0,0|2,0,0]=4 14341 B17R2.215 Cc1ccnc(c1)CSc2ccc(cc2)Cl 62a_100000755918_100000718516 [0,2,0,0,0,0|2,0,0]=4 14342 B17R2.215 Cc1ccnc(c1)CSc2ccc(cc2)F 62a_100000211213_100000718516 [0,2,0,0,0,0|2,0,0]=4 14343 B17R2.215 Cc1ccnc(c1)CSc2ccc(cc2)F 62a_100000718516_100000211213 [0,2,0,0,0,0|2,0,0]=4 14344 B17R2.215 Cc1ccnc(c1)CSc2ccc(cc2)N 62a_100000185761_100000718516 [0,2,0,0,0,0|2,0,0]=4 14345 B17R2.215 Cc1ccnc(c1)CSc2ccc(cc2)N 62a_100000718516_100000185761 [0,2,0,0,0,0|2,0,0]=4 14346 B17R2.215 Cc1ccnc(c1)CSc2ccc(cc2)O 62a_100000718516_100000185759 [0,2,0,0,0,0|2,0,0]=4 14347 B17R2.215 Cc1ccnc(c1)SCc2ccc(cc2)Br 62a_100000189115_100000750283 [0,2,0,0,0,0|2,0,0]=4 14348 B17R2.215 Cc1ccnc(c1)SCc2ccc(cc2)Br 62a_100000750283_100000189115 [0,2,0,0,0,0|2,0,0]=4 14349 B17R2.215 Cc1ccnc(c1)SCc2ccc(cc2)Cl 62a_100000187161_100000750283 [0,2,0,0,0,0|2,0,0]=4 14350 B17R2.215 Cc1ccnc(c1)SCc2ccc(cc2)Cl 62a_100000750283_100000187161 [0,2,0,0,0,0|2,0,0]=4 14351 B17R2.215 Cc1ccnc(c1)SCc2ccc(cc2)F 62a_100000198546_100000750283 [0,2,0,0,0,0|2,0,0]=4 14352 B17R2.215 Cc1ccnc(c1)SCc2ccc(cc2)F 62a_100000750283_100000187164 [0,2,0,0,0,0|2,0,0]=4 14353 B17R2.215 Cc1ccnc(c1)SCc2ccc(cc2)I 62a_100000189116_100000750283 [0,2,0,0,0,0|2,0,0]=4 14354 B17R2.215 Cc1ccnc(c1)SCc2ccc(cc2)I 62a_100000750283_100000189116 [0,2,0,0,0,0|2,0,0]=4 14355 B17R2.215 Cc1cncc(c1)CSc2ccc(cc2)Br 62a_100000716715_100000752885 [0,2,0,0,0,0|2,0,0]=4 14356 B17R2.215 Cc1cncc(c1)CSc2ccc(cc2)Br 62a_100000752885_100000716715 [0,2,0,0,0,0|2,0,0]=4 14357 B17R2.215 Cc1cncc(c1)CSc2ccc(cc2)Cl 62a_100000716715_100000755918 [0,2,0,0,0,0|2,0,0]=4 14358 B17R2.215 Cc1cncc(c1)CSc2ccc(cc2)Cl 62a_100000755918_100000716715 [0,2,0,0,0,0|2,0,0]=4 14359 B17R2.215 Cc1cncc(c1)CSc2ccc(cc2)F 62a_100000211213_100000716715 [0,2,0,0,0,0|2,0,0]=4 14360 B17R2.215 Cc1cncc(c1)CSc2ccc(cc2)F 62a_100000716715_100000211213 [0,2,0,0,0,0|2,0,0]=4 14361 B17R2.215 Cc1cncc(c1)CSc2ccc(cc2)N 62a_100000185761_100000716715 [0,2,0,0,0,0|2,0,0]=4 14362 B17R2.215 Cc1cncc(c1)CSc2ccc(cc2)N 62a_100000716715_100000185761 [0,2,0,0,0,0|2,0,0]=4 14363 B17R2.215 Cc1cncc(c1)CSc2ccc(cc2)O 62a_100000716715_100000185759 [0,2,0,0,0,0|2,0,0]=4 14364 B17R2.215 Cc1cncc(c1)SCc2ccc(cc2)Br 62a_100000189115_100000760492 [0,2,0,0,0,0|2,0,0]=4 14365 B17R2.215 Cc1cncc(c1)SCc2ccc(cc2)Br 62a_100000760492_100000189115 [0,2,0,0,0,0|2,0,0]=4 14366 B17R2.215 Cc1cncc(c1)SCc2ccc(cc2)Cl 62a_100000187161_100000760492 [0,2,0,0,0,0|2,0,0]=4 14367 B17R2.215 Cc1cncc(c1)SCc2ccc(cc2)Cl 62a_100000760492_100000187161 [0,2,0,0,0,0|2,0,0]=4 14368 B17R2.215 Cc1cncc(c1)SCc2ccc(cc2)F 62a_100000198546_100000760492 [0,2,0,0,0,0|2,0,0]=4 14369 B17R2.215 Cc1cncc(c1)SCc2ccc(cc2)F 62a_100000760492_100000187164 [0,2,0,0,0,0|2,0,0]=4 14370 B17R2.215 Cc1cncc(c1)SCc2ccc(cc2)I 62a_100000189116_100000760492 [0,2,0,0,0,0|2,0,0]=4 14371 B17R2.215 Cc1cncc(c1)SCc2ccc(cc2)I 62a_100000760492_100000189116 [0,2,0,0,0,0|2,0,0]=4 14372 B17R2.215 Clc1cc(ccn1)CSc2ccc(cc2)Br 62a_100000752885_100000764220 [0,2,0,0,0,0|2,0,0]=4 14373 B17R2.215 Clc1cc(ccn1)CSc2ccc(cc2)Br 62a_100000764220_100000752885 [0,2,0,0,0,0|2,0,0]=4 14374 B17R2.215 Clc1cc(ccn1)SCc2ccc(cc2)Br 62a_100000035001_100000189115 [0,2,0,0,0,0|2,0,0]=4 14375 B17R2.215 Clc1cc(ccn1)SCc2ccc(cc2)Br 62a_100000189115_100000035001 [0,2,0,0,0,0|2,0,0]=4 14376 B17R2.215 Clc1cc(ccn1)SCc2ccc(cc2)I 62a_100000035001_100000189116 [0,2,0,0,0,0|2,0,0]=4 14377 B17R2.215 Clc1cc(ccn1)SCc2ccc(cc2)I 62a_100000189116_100000035001 [0,2,0,0,0,0|2,0,0]=4 14378 B17R2.215 Clc1ccc(cc1)C=Cc2cccc(c2)Br 271570a_100102527930_100000691529 [0,2,0,0,0,0|2,0,0]=4 14379 B17R2.215 Clc1ccc(cc1)C=Cc2cccc(c2)Cl 271570a_100102525933_100000755918 [0,2,0,0,0,0|2,0,0]=4 14380 B17R2.215 Clc1ccc(cc1)C=Cc2cccc(c2)Cl 271570a_100102527930_100000699651 [0,2,0,0,0,0|2,0,0]=4 14381 B17R2.215 Clc1ccc(cc1)CNc2cccc(c2)Br 207a_100000210019_100000189385 [0,2,0,0,0,0|2,0,0]=4 14382 B17R2.215 Clc1ccc(cc1)CNc2cccc(c2)Br 270302a_100000210019_100000189385 [0,2,0,0,0,0|2,0,0]=4 14383 B17R2.215 Clc1ccc(cc1)CNc2cccc(c2)Br 34a_100000210019_100000694040 [0,2,0,0,0,0|2,0,0]=4 14384 B17R2.215 Clc1ccc(cc1)CNc2cccc(c2)Cl 207a_100000185859_100000189385 [0,2,0,0,0,0|2,0,0]=4 14385 B17R2.215 Clc1ccc(cc1)CNc2cccc(c2)Cl 270302a_100000185859_100000189385 [0,2,0,0,0,0|2,0,0]=4 14386 B17R2.215 Clc1ccc(cc1)CNc2cccc(c2)Cl 34a_100000185859_100000694040 [0,2,0,0,0,0|2,0,0]=4 14387 B17R2.215 Clc1ccc(cc1)CNc2cccc(c2)I 207a_100000211102_100000189385 [0,2,0,0,0,0|2,0,0]=4 14388 B17R2.215 Clc1ccc(cc1)CNc2cccc(c2)I 270302a_100000211102_100000189385 [0,2,0,0,0,0|2,0,0]=4 14389 B17R2.215 Clc1ccc(cc1)CNc2cccc(c2)I 34a_100000211102_100000694040 [0,2,0,0,0,0|2,0,0]=4 14390 B17R2.215 Clc1ccc(cc1)COc2cccc(c2)Br 34a_100000210342_100000694040 [0,2,0,0,0,0|1,1,0]=4 14391 B17R2.215 Clc1ccc(cc1)COc2cccc(c2)Br 7a_100000210342_100000187161 [0,2,0,0,0,0|1,1,0]=4 14392 B17R2.215 Clc1ccc(cc1)COc2cccc(c2)Cl 34a_100000210295_100000694040 [0,2,0,0,0,0|1,1,0]=4 14393 B17R2.215 Clc1ccc(cc1)COc2cccc(c2)Cl 7a_100000210295_100000187161 [0,2,0,0,0,0|1,1,0]=4 14394 B17R2.215 Clc1ccc(cc1)COc2cccc(c2)I 34a_100000211634_100000694040 [0,2,0,0,0,0|1,1,0]=4 14395 B17R2.215 Clc1ccc(cc1)COc2cccc(c2)I 7a_100000211634_100000187161 [0,2,0,0,0,0|1,1,0]=4 14396 B17R2.215 Clc1ccc(cc1)CSc2cc(ccn2)Cl 62a_100000187161_100010167805 [0,2,0,0,0,0|2,0,0]=4 14397 B17R2.215 Clc1ccc(cc1)CSc2cc(ccn2)Cl 62a_100010167805_100000187161 [0,2,0,0,0,0|2,0,0]=4 14398 B17R2.215 Clc1ccc(cc1)CSc2cccc(c2)Br 62a_100000187161_100000691529 [0,2,0,0,0,0|1,0,0]=3 14399 B17R2.215 Clc1ccc(cc1)CSc2cccc(c2)Br 62a_100000691529_100000187161 [0,2,0,0,0,0|1,0,0]=3 14400 B17R2.215 Clc1ccc(cc1)CSc2cccc(c2)Cl 62a_100000187161_100000699651 [0,2,0,0,0,0|1,0,0]=3 14401 B17R2.215 Clc1ccc(cc1)CSc2cccc(c2)Cl 62a_100000699651_100000187161 [0,2,0,0,0,0|1,0,0]=3 14402 B17R2.215 Clc1ccc(cc1)CSc2cccc(n2)Br 62a_100000187161_100000684672 [0,2,0,0,0,0|2,0,0]=4 14403 B17R2.215 Clc1ccc(cc1)CSc2cccc(n2)Br 62a_100000684672_100000187161 [0,2,0,0,0,0|2,0,0]=4 14404 B17R2.215 Clc1ccc(cc1)CSc2cccc(n2)Cl 62a_100000051397_100000187161 [0,2,0,0,0,0|2,0,0]=4 14405 B17R2.215 Clc1ccc(cc1)CSc2cccc(n2)Cl 62a_100000187161_100000051397 [0,2,0,0,0,0|2,0,0]=4 14406 B17R2.215 Clc1ccc(cc1)CSc2ccnc(c2)Br 62a_100000187161_100009814637 [0,2,0,0,0,0|2,0,0]=4 14407 B17R2.215 Clc1ccc(cc1)CSc2ccnc(c2)Br 62a_100009814637_100000187161 [0,2,0,0,0,0|2,0,0]=4 14408 B17R2.215 Clc1ccc(cc1)CSc2ccnc(c2)Cl 62a_100000035001_100000187161 [0,2,0,0,0,0|2,0,0]=4 14409 B17R2.215 Clc1ccc(cc1)CSc2ccnc(c2)Cl 62a_100000187161_100000035001 [0,2,0,0,0,0|2,0,0]=4 14410 B17R2.215 Clc1ccc(cc1)CSc2cncc(c2)Br 62a_100000187161_100000728054 [0,2,0,0,0,0|2,0,0]=4 14411 B17R2.215 Clc1ccc(cc1)CSc2cncc(c2)Br 62a_100000728054_100000187161 [0,2,0,0,0,0|2,0,0]=4 14412 B17R2.215 Clc1ccc(cc1)CSc2cncc(c2)Cl 62a_100000049639_100000187161 [0,2,0,0,0,0|2,0,0]=4 14413 B17R2.215 Clc1ccc(cc1)CSc2cncc(c2)Cl 62a_100000187161_100000049639 [0,2,0,0,0,0|2,0,0]=4 14414 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)Br 207a_100000210052_100000210085 [0,2,0,0,0,0|2,0,0]=4 14415 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)Br 2230a_100000210052_100000698116 [0,2,0,0,0,0|2,0,0]=4 14416 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)Br 270302a_100000210052_100000210085 [0,2,0,0,0,0|2,0,0]=4 14417 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)Br 34a_100000210052_100000698116 [0,2,0,0,0,0|2,0,0]=4 14418 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)Cl 207a_100000210052_100000210801 [0,2,0,0,0,0|2,0,0]=4 14419 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)Cl 2230a_100000210052_100000181238 [0,2,0,0,0,0|2,0,0]=4 14420 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)Cl 270302a_100000210052_100000210801 [0,2,0,0,0,0|2,0,0]=4 14421 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)Cl 34a_100000210052_100000187163 [0,2,0,0,0,0|2,0,0]=4 14422 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)I 207a_100000210052_100000014684 [0,2,0,0,0,0|2,0,0]=4 14423 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)I 2230a_100000210052_100011218688 [0,2,0,0,0,0|2,0,0]=4 14424 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)I 270302a_100000210052_100000014684 [0,2,0,0,0,0|2,0,0]=4 14425 B17R2.215 Clc1ccc(cc1)NCc2cccc(c2)I 34a_100000210052_100011218688 [0,2,0,0,0,0|2,0,0]=4 14426 B17R2.215 Clc1ccc(cc1)OCc2cccc(c2)Br 34a_100000210216_100000698116 [0,2,0,0,0,0|1,1,0]=4 14427 B17R2.215 Clc1ccc(cc1)OCc2cccc(c2)Br 7a_100000210216_100000211773 [0,2,0,0,0,0|1,1,0]=4 14428 B17R2.215 Clc1ccc(cc1)OCc2cccc(c2)Cl 34a_100000210216_100000187163 [0,2,0,0,0,0|1,1,0]=4 14429 B17R2.215 Clc1ccc(cc1)OCc2cccc(c2)Cl 7a_100000210216_100000187163 [0,2,0,0,0,0|1,1,0]=4 14430 B17R2.215 Clc1ccc(cc1)OCc2cccc(c2)I 34a_100000210216_100011218688 [0,2,0,0,0,0|1,1,0]=4 14431 B17R2.215 Clc1ccc(cc1)OCc2cccc(c2)I 7a_100000210216_100011218688 [0,2,0,0,0,0|1,1,0]=4 14432 B17R2.215 Clc1ccc(cc1)SCc2cc(ccn2)Br 62a_100000755918_100010173614 [0,2,0,0,0,0|2,0,0]=4 14433 B17R2.215 Clc1ccc(cc1)SCc2cc(ccn2)Br 62a_100010173614_100000755918 [0,2,0,0,0,0|2,0,0]=4 14434 B17R2.215 Clc1ccc(cc1)SCc2cc(ccn2)Cl 62a_100000755918_100016988179 [0,2,0,0,0,0|2,0,0]=4 14435 B17R2.215 Clc1ccc(cc1)SCc2cc(ccn2)Cl 62a_100016988179_100000755918 [0,2,0,0,0,0|2,0,0]=4 14436 B17R2.215 Clc1ccc(cc1)SCc2cccc(c2)Br 62a_100000211773_100000755918 [0,2,0,0,0,0|1,0,0]=3 14437 B17R2.215 Clc1ccc(cc1)SCc2cccc(c2)Br 62a_100000755918_100000211773 [0,2,0,0,0,0|1,0,0]=3 14438 B17R2.215 Clc1ccc(cc1)SCc2cccc(c2)Cl 62a_100000187163_100000755918 [0,2,0,0,0,0|1,0,0]=3 14439 B17R2.215 Clc1ccc(cc1)SCc2cccc(c2)Cl 62a_100000755918_100000187163 [0,2,0,0,0,0|1,0,0]=3 14440 B17R2.215 Clc1ccc(cc1)SCc2cccc(c2)I 62a_100000755918_100011218688 [0,2,0,0,0,0|1,0,0]=3 14441 B17R2.215 Clc1ccc(cc1)SCc2cccc(c2)I 62a_100011218688_100000755918 [0,2,0,0,0,0|1,0,0]=3 14442 B17R2.215 Clc1ccc(cc1)SCc2cccc(n2)Br 62a_100000755918_100009889011 [0,2,0,0,0,0|2,0,0]=4 14443 B17R2.215 Clc1ccc(cc1)SCc2cccc(n2)Br 62a_100009889011_100000755918 [0,2,0,0,0,0|2,0,0]=4 14444 B17R2.215 Clc1ccc(cc1)SCc2cccc(n2)Cl 62a_100000086093_100000755918 [0,2,0,0,0,0|2,0,0]=4 14445 B17R2.215 Clc1ccc(cc1)SCc2cccc(n2)Cl 62a_100000755918_100000086093 [0,2,0,0,0,0|2,0,0]=4 14446 B17R2.215 Clc1ccc(cc1)SCc2ccnc(c2)Br 62a_100000755918_100010243470 [0,2,0,0,0,0|2,0,0]=4 14447 B17R2.215 Clc1ccc(cc1)SCc2ccnc(c2)Br 62a_100010254460_100000755918 [0,2,0,0,0,0|2,0,0]=4 14448 B17R2.215 Clc1ccc(cc1)SCc2ccnc(c2)Cl 62a_100000755918_100000764220 [0,2,0,0,0,0|2,0,0]=4 14449 B17R2.215 Clc1ccc(cc1)SCc2ccnc(c2)Cl 62a_100000764220_100000755918 [0,2,0,0,0,0|2,0,0]=4 14450 B17R2.215 Clc1ccc(cc1)SCc2cncc(c2)Br 62a_100000738771_100000755918 [0,2,0,0,0,0|2,0,0]=4 14451 B17R2.215 Clc1ccc(cc1)SCc2cncc(c2)Br 62a_100000755918_100000738771 [0,2,0,0,0,0|2,0,0]=4 14452 B17R2.215 Clc1ccc(cc1)SCc2cncc(c2)Cl 62a_100000755918_100016992070 [0,2,0,0,0,0|2,0,0]=4 14453 B17R2.215 Clc1ccc(cc1)SCc2cncc(c2)Cl 62a_100016992070_100000755918 [0,2,0,0,0,0|2,0,0]=4 14454 B17R2.215 Clc1ccc(cn1)CSc2cccc(c2)Br 62a_100000691529_100000735431 [0,2,0,0,0,0|2,0,0]=4 14455 B17R2.215 Clc1ccc(cn1)CSc2cccc(c2)Br 62a_100000735431_100000691529 [0,2,0,0,0,0|2,0,0]=4 14456 B17R2.215 Clc1ccc(cn1)SCc2cccc(c2)Br 62a_100000034144_100000211773 [0,2,0,0,0,0|2,0,0]=4 14457 B17R2.215 Clc1ccc(cn1)SCc2cccc(c2)Br 62a_100000211773_100000034144 [0,2,0,0,0,0|2,0,0]=4 14458 B17R2.215 Clc1ccc(cn1)SCc2cccc(c2)I 62a_100000034144_100011218688 [0,2,0,0,0,0|2,0,0]=4 14459 B17R2.215 Clc1ccc(cn1)SCc2cccc(c2)I 62a_100011218688_100000034144 [0,2,0,0,0,0|2,0,0]=4 14460 B17R2.215 Clc1ccc(nc1)CSc2cccc(c2)Br 62a_100000691529_100000697101 [0,2,0,0,0,0|2,0,0]=4 14461 B17R2.215 Clc1ccc(nc1)CSc2cccc(c2)Br 62a_100012066911_100000691529 [0,2,0,0,0,0|2,0,0]=4 14462 B17R2.215 Clc1ccc(nc1)CSc2cccc(c2)Cl 62a_100000699651_100000697101 [0,2,0,0,0,0|2,0,0]=4 14463 B17R2.215 Clc1ccc(nc1)CSc2cccc(c2)Cl 62a_100012066911_100000699651 [0,2,0,0,0,0|2,0,0]=4 14464 B17R2.215 Clc1ccc(nc1)SCc2cccc(c2)Br 62a_100000211773_100011356976 [0,2,0,0,0,0|2,0,0]=4 14465 B17R2.215 Clc1ccc(nc1)SCc2cccc(c2)Br 62a_100011356976_100000211773 [0,2,0,0,0,0|2,0,0]=4 14466 B17R2.215 Clc1ccc(nc1)SCc2cccc(c2)Cl 62a_100000187163_100011356976 [0,2,0,0,0,0|2,0,0]=4 14467 B17R2.215 Clc1ccc(nc1)SCc2cccc(c2)Cl 62a_100011356976_100000187163 [0,2,0,0,0,0|2,0,0]=4 14468 B17R2.215 Clc1ccc(nc1)SCc2cccc(c2)I 62a_100011218688_100011356976 [0,2,0,0,0,0|2,0,0]=4 14469 B17R2.215 Clc1ccc(nc1)SCc2cccc(c2)I 62a_100011356976_100011218688 [0,2,0,0,0,0|2,0,0]=4 14470 B17R2.215 Clc1cccc(c1)C=Cc2ccc(cc2)Br 271570a_100102525933_100000752885 [0,2,0,0,0,0|2,0,0]=4 14471 B17R2.215 Clc1cccc(c1)C=Cc2ccc(cc2)Br 271570a_100102527914_100000699651 [0,2,0,0,0,0|2,0,0]=4 14472 B17R2.215 Clc1cccc(c1)CNc2ccc(cc2)Br 207a_100000210018_100000210801 [0,2,0,0,0,0|2,0,0]=4 14473 B17R2.215 Clc1cccc(c1)CNc2ccc(cc2)Br 2230a_100000210018_100000181238 [0,2,0,0,0,0|2,0,0]=4 14474 B17R2.215 Clc1cccc(c1)CNc2ccc(cc2)Br 270302a_100000210018_100000210801 [0,2,0,0,0,0|2,0,0]=4 14475 B17R2.215 Clc1cccc(c1)CNc2ccc(cc2)Br 34a_100000210018_100000187163 [0,2,0,0,0,0|2,0,0]=4 14476 B17R2.215 Clc1cccc(c1)CNc2ccc(cc2)I 207a_100000185761_100000210801 [0,2,0,0,0,0|2,0,0]=4 14477 B17R2.215 Clc1cccc(c1)CNc2ccc(cc2)I 270302a_100000185761_100000210801 [0,2,0,0,0,0|2,0,0]=4 14478 B17R2.215 Clc1cccc(c1)CNc2ccc(cc2)I 34a_100000185761_100000187163 [0,2,0,0,0,0|2,0,0]=4 14479 B17R2.215 Clc1cccc(c1)COc2ccc(cc2)Br 34a_100000185759_100000187163 [0,2,0,0,0,0|1,1,0]=4 14480 B17R2.215 Clc1cccc(c1)COc2ccc(cc2)Br 7a_100000185759_100000187163 [0,2,0,0,0,0|1,1,0]=4 14481 B17R2.215 Clc1cccc(c1)COc2ccc(cc2)I 34a_100000212066_100000187163 [0,2,0,0,0,0|1,1,0]=4 14482 B17R2.215 Clc1cccc(c1)COc2ccc(cc2)I 7a_100000212066_100000187163 [0,2,0,0,0,0|1,1,0]=4 14483 B17R2.215 Clc1cccc(c1)CSc2ccc(cc2)Br 62a_100000187163_100000752885 [0,2,0,0,0,0|1,0,0]=3 14484 B17R2.215 Clc1cccc(c1)CSc2ccc(cc2)Br 62a_100000752885_100000187163 [0,2,0,0,0,0|1,0,0]=3 14485 B17R2.215 Clc1cccc(c1)CSc2ccc(cn2)Br 62a_100000187163_100000686858 [0,2,0,0,0,0|2,0,0]=4 14486 B17R2.215 Clc1cccc(c1)CSc2ccc(cn2)Br 62a_100000686858_100000187163 [0,2,0,0,0,0|2,0,0]=4 14487 B17R2.215 Clc1cccc(c1)CSc2ccc(nc2)Br 62a_100000187163_100009814638 [0,2,0,0,0,0|2,0,0]=4 14488 B17R2.215 Clc1cccc(c1)CSc2ccc(nc2)Br 62a_100009814638_100000187163 [0,2,0,0,0,0|2,0,0]=4 14489 B17R2.215 Clc1cccc(c1)CSc2ccc(nc2)Cl 62a_100000034144_100000187163 [0,2,0,0,0,0|2,0,0]=4 14490 B17R2.215 Clc1cccc(c1)CSc2ccc(nc2)Cl 62a_100000187163_100000034144 [0,2,0,0,0,0|2,0,0]=4 14491 B17R2.215 Clc1cccc(c1)NCc2ccc(cc2)Br 207a_100000185859_100000186029 [0,2,0,0,0,0|2,0,0]=4 14492 B17R2.215 Clc1cccc(c1)NCc2ccc(cc2)Br 270302a_100000185859_100000186029 [0,2,0,0,0,0|2,0,0]=4 14493 B17R2.215 Clc1cccc(c1)NCc2ccc(cc2)Br 34a_100000185859_100000189115 [0,2,0,0,0,0|2,0,0]=4 14494 B17R2.215 Clc1cccc(c1)NCc2ccc(cc2)I 207a_100000185859_100000188517 [0,2,0,0,0,0|2,0,0]=4 14495 B17R2.215 Clc1cccc(c1)NCc2ccc(cc2)I 270302a_100000185859_100000188517 [0,2,0,0,0,0|2,0,0]=4 14496 B17R2.215 Clc1cccc(c1)NCc2ccc(cc2)I 34a_100000185859_100000189116 [0,2,0,0,0,0|2,0,0]=4 14497 B17R2.215 Clc1cccc(c1)OCc2ccc(cc2)Br 34a_100000210295_100000189115 [0,2,0,0,0,0|1,1,0]=4 14498 B17R2.215 Clc1cccc(c1)OCc2ccc(cc2)Br 7a_100000210295_100011217064 [0,2,0,0,0,0|1,1,0]=4 14499 B17R2.215 Clc1cccc(c1)OCc2ccc(cc2)I 34a_100000210295_100000189116 [0,2,0,0,0,0|1,1,0]=4 14500 B17R2.215 Clc1cccc(c1)OCc2ccc(cc2)I 7a_100000210295_100000189116 [0,2,0,0,0,0|1,1,0]=4 14501 B17R2.215 Clc1cccc(c1)SCc2ccc(cc2)Br 62a_100000189115_100000699651 [0,2,0,0,0,0|1,0,0]=3 14502 B17R2.215 Clc1cccc(c1)SCc2ccc(cc2)Br 62a_100000699651_100000189115 [0,2,0,0,0,0|1,0,0]=3 14503 B17R2.215 Clc1cccc(c1)SCc2ccc(cc2)I 62a_100000189116_100000699651 [0,2,0,0,0,0|1,0,0]=3 14504 B17R2.215 Clc1cccc(c1)SCc2ccc(cc2)I 62a_100000699651_100000189116 [0,2,0,0,0,0|1,0,0]=3 14505 B17R2.215 Clc1cccc(c1)SCc2ccc(cn2)Br 62a_100000699651_100000702658 [0,2,0,0,0,0|2,0,0]=4 14506 B17R2.215 Clc1cccc(c1)SCc2ccc(cn2)Br 62a_100000702658_100000699651 [0,2,0,0,0,0|2,0,0]=4 14507 B17R2.215 Clc1cccc(c1)SCc2ccc(nc2)Br 62a_100000699651_100009831999 [0,2,0,0,0,0|2,0,0]=4 14508 B17R2.215 Clc1cccc(c1)SCc2ccc(nc2)Br 62a_100009831999_100000699651 [0,2,0,0,0,0|2,0,0]=4 14509 B17R2.215 Clc1cccc(c1)SCc2ccc(nc2)Cl 62a_100000699651_100000735431 [0,2,0,0,0,0|2,0,0]=4 14510 B17R2.215 Clc1cccc(c1)SCc2ccc(nc2)Cl 62a_100000735431_100000699651 [0,2,0,0,0,0|2,0,0]=4 14511 B17R2.215 Clc1cccc(n1)CSc2ccc(cc2)Br 62a_100000086093_100000752885 [0,2,0,0,0,0|2,0,0]=4 14512 B17R2.215 Clc1cccc(n1)CSc2ccc(cc2)Br 62a_100000752885_100000086093 [0,2,0,0,0,0|2,0,0]=4 14513 B17R2.215 Clc1cccc(n1)SCc2ccc(cc2)Br 62a_100000051397_100000189115 [0,2,0,0,0,0|2,0,0]=4 14514 B17R2.215 Clc1cccc(n1)SCc2ccc(cc2)Br 62a_100000189115_100000051397 [0,2,0,0,0,0|2,0,0]=4 14515 B17R2.215 Clc1cccc(n1)SCc2ccc(cc2)I 62a_100000051397_100000189116 [0,2,0,0,0,0|2,0,0]=4 14516 B17R2.215 Clc1cccc(n1)SCc2ccc(cc2)I 62a_100000189116_100000051397 [0,2,0,0,0,0|2,0,0]=4 14517 B17R2.215 Clc1ccnc(c1)CSc2ccc(cc2)Br 62a_100000752885_100016988179 [0,2,0,0,0,0|2,0,0]=4 14518 B17R2.215 Clc1ccnc(c1)CSc2ccc(cc2)Br 62a_100016988179_100000752885 [0,2,0,0,0,0|2,0,0]=4 14519 B17R2.215 Clc1ccnc(c1)SCc2ccc(cc2)Br 62a_100000189115_100010167805 [0,2,0,0,0,0|2,0,0]=4 14520 B17R2.215 Clc1ccnc(c1)SCc2ccc(cc2)Br 62a_100010167805_100000189115 [0,2,0,0,0,0|2,0,0]=4 14521 B17R2.215 Clc1ccnc(c1)SCc2ccc(cc2)I 62a_100000189116_100010167805 [0,2,0,0,0,0|2,0,0]=4 14522 B17R2.215 Clc1ccnc(c1)SCc2ccc(cc2)I 62a_100010167805_100000189116 [0,2,0,0,0,0|2,0,0]=4 14523 B17R2.215 Clc1cncc(c1)CSc2ccc(cc2)Br 62a_100000752885_100016992070 [0,2,0,0,0,0|2,0,0]=4 14524 B17R2.215 Clc1cncc(c1)CSc2ccc(cc2)Br 62a_100016992070_100000752885 [0,2,0,0,0,0|2,0,0]=4 14525 B17R2.215 Clc1cncc(c1)SCc2ccc(cc2)Br 62a_100000049639_100000189115 [0,2,0,0,0,0|2,0,0]=4 14526 B17R2.215 Clc1cncc(c1)SCc2ccc(cc2)Br 62a_100000189115_100000049639 [0,2,0,0,0,0|2,0,0]=4 14527 B17R2.215 Clc1cncc(c1)SCc2ccc(cc2)I 62a_100000049639_100000189116 [0,2,0,0,0,0|2,0,0]=4 14528 B17R2.215 Clc1cncc(c1)SCc2ccc(cc2)I 62a_100000189116_100000049639 [0,2,0,0,0,0|2,0,0]=4 14529 B17R2.215 Fc1cc(ccn1)SCc2ccc(cc2)Br 62a_100000189115_100009816116 [0,2,0,0,0,0|2,0,0]=4 14530 B17R2.215 Fc1cc(ccn1)SCc2ccc(cc2)Br 62a_100009816116_100000189115 [0,2,0,0,0,0|2,0,0]=4 14531 B17R2.215 Fc1cc(ccn1)SCc2ccc(cc2)Cl 62a_100000187161_100009816116 [0,2,0,0,0,0|2,0,0]=4 14532 B17R2.215 Fc1cc(ccn1)SCc2ccc(cc2)Cl 62a_100009816116_100000187161 [0,2,0,0,0,0|2,0,0]=4 14533 B17R2.215 Fc1cc(ccn1)SCc2ccc(cc2)I 62a_100000189116_100009816116 [0,2,0,0,0,0|2,0,0]=4 14534 B17R2.215 Fc1cc(ccn1)SCc2ccc(cc2)I 62a_100009816116_100000189116 [0,2,0,0,0,0|2,0,0]=4 14535 B17R2.215 Fc1ccc(cc1)C=Cc2cccc(c2)Br 271570a_100102525539_100000691529 [0,2,0,0,0,0|2,0,0]=4 14536 B17R2.215 Fc1ccc(cc1)C=Cc2cccc(c2)Cl 271570a_100102525539_100000699651 [0,2,0,0,0,0|2,0,0]=4 14537 B17R2.215 Fc1ccc(cc1)C=Cc2cccc(c2)Cl 271570a_100102525933_100000211213 [0,2,0,0,0,0|2,0,0]=4 14538 B17R2.215 Fc1ccc(cc1)C=Cc2cccc(c2)F 271570a_100102525537_100000211213 [0,2,0,0,0,0|2,0,0]=4 14539 B17R2.215 Fc1ccc(cc1)C=Cc2cccc(c2)F 271570a_100102525539_100000685547 [0,2,0,0,0,0|2,0,0]=4 14540 B17R2.215 Fc1ccc(cc1)C=Cc2cccc(c2)[S] 271570a_100102525539_114929384022 [0,2,0,0,0,0|2,0,0]=4 14541 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)Br 207a_100000210019_100000210084 [0,2,0,0,0,0|2,0,0]=4 14542 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)Br 270302a_100000210019_100000210084 [0,2,0,0,0,0|2,0,0]=4 14543 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)Br 34a_100000210019_100000198546 [0,2,0,0,0,0|2,0,0]=4 14544 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)Cl 207a_100000185859_100000210084 [0,2,0,0,0,0|2,0,0]=4 14545 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)Cl 270302a_100000185859_100000210084 [0,2,0,0,0,0|2,0,0]=4 14546 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)Cl 34a_100000185859_100000198546 [0,2,0,0,0,0|2,0,0]=4 14547 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)F 207a_100000210047_100000210084 [0,2,0,0,0,0|2,0,0]=4 14548 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)F 270302a_100000210047_100000210084 [0,2,0,0,0,0|2,0,0]=4 14549 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)F 34a_100000210047_100000198546 [0,2,0,0,0,0|2,0,0]=4 14550 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)I 207a_100000211102_100000210084 [0,2,0,0,0,0|2,0,0]=4 14551 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)I 270302a_100000211102_100000210084 [0,2,0,0,0,0|2,0,0]=4 14552 B17R2.215 Fc1ccc(cc1)CNc2cccc(c2)I 34a_100000211102_100000198546 [0,2,0,0,0,0|2,0,0]=4 14553 B17R2.215 Fc1ccc(cc1)COc2cccc(c2)Br 34a_100000210342_100000198546 [0,2,0,0,0,0|1,1,0]=4 14554 B17R2.215 Fc1ccc(cc1)COc2cccc(c2)Br 7a_100000210342_100000198546 [0,2,0,0,0,0|1,1,0]=4 14555 B17R2.215 Fc1ccc(cc1)COc2cccc(c2)Cl 34a_100000210295_100000198546 [0,2,0,0,0,0|1,1,0]=4 14556 B17R2.215 Fc1ccc(cc1)COc2cccc(c2)Cl 7a_100000210295_100000198546 [0,2,0,0,0,0|1,1,0]=4 14557 B17R2.215 Fc1ccc(cc1)COc2cccc(c2)F 34a_100000210426_100000198546 [0,2,0,0,0,0|1,1,0]=4 14558 B17R2.215 Fc1ccc(cc1)COc2cccc(c2)F 7a_100000210426_100000198546 [0,2,0,0,0,0|1,1,0]=4 14559 B17R2.215 Fc1ccc(cc1)COc2cccc(c2)I 34a_100000211634_100000198546 [0,2,0,0,0,0|1,1,0]=4 14560 B17R2.215 Fc1ccc(cc1)COc2cccc(c2)I 7a_100000211634_100000198546 [0,2,0,0,0,0|1,1,0]=4 14561 B17R2.215 Fc1ccc(cc1)CSc2cc(ccn2)Cl 62a_100000198546_100010167805 [0,2,0,0,0,0|2,0,0]=4 14562 B17R2.215 Fc1ccc(cc1)CSc2cc(ccn2)Cl 62a_100010167805_100000187164 [0,2,0,0,0,0|2,0,0]=4 14563 B17R2.215 Fc1ccc(cc1)CSc2cc(ccn2)F 62a_100000198546_100000764206 [0,2,0,0,0,0|2,0,0]=4 14564 B17R2.215 Fc1ccc(cc1)CSc2cc(ccn2)F 62a_100000764206_100000187164 [0,2,0,0,0,0|2,0,0]=4 14565 B17R2.215 Fc1ccc(cc1)CSc2cccc(c2)Br 62a_100000198546_100000691529 [0,2,0,0,0,0|1,0,0]=3 14566 B17R2.215 Fc1ccc(cc1)CSc2cccc(c2)Br 62a_100000691529_100000187164 [0,2,0,0,0,0|1,0,0]=3 14567 B17R2.215 Fc1ccc(cc1)CSc2cccc(c2)Cl 62a_100000198546_100000699651 [0,2,0,0,0,0|1,0,0]=3 14568 B17R2.215 Fc1ccc(cc1)CSc2cccc(c2)Cl 62a_100000699651_100000187164 [0,2,0,0,0,0|1,0,0]=3 14569 B17R2.215 Fc1ccc(cc1)CSc2cccc(c2)F 62a_100000198546_100000685547 [0,2,0,0,0,0|1,0,0]=3 14570 B17R2.215 Fc1ccc(cc1)CSc2cccc(c2)F 62a_100000685547_100000187164 [0,2,0,0,0,0|1,0,0]=3 14571 B17R2.215 Fc1ccc(cc1)CSc2cccc(c2)[S] 62a_100000198546_114929384022 [0,2,0,0,0,0|1,0,0]=3 14572 B17R2.215 Fc1ccc(cc1)CSc2cccc(c2)[S] 62a_114929384022_100000187164 [0,2,0,0,0,0|1,0,0]=3 14573 B17R2.215 Fc1ccc(cc1)CSc2cccc(n2)Br 62a_100000198546_100000684672 [0,2,0,0,0,0|2,0,0]=4 14574 B17R2.215 Fc1ccc(cc1)CSc2cccc(n2)Br 62a_100000684672_100000187164 [0,2,0,0,0,0|2,0,0]=4 14575 B17R2.215 Fc1ccc(cc1)CSc2cccc(n2)Cl 62a_100000051397_100000187164 [0,2,0,0,0,0|2,0,0]=4 14576 B17R2.215 Fc1ccc(cc1)CSc2cccc(n2)Cl 62a_100000198546_100000051397 [0,2,0,0,0,0|2,0,0]=4 14577 B17R2.215 Fc1ccc(cc1)CSc2cccc(n2)F 62a_100000198546_100009815982 [0,2,0,0,0,0|2,0,0]=4 14578 B17R2.215 Fc1ccc(cc1)CSc2cccc(n2)F 62a_100009815982_100000187164 [0,2,0,0,0,0|2,0,0]=4 14579 B17R2.215 Fc1ccc(cc1)CSc2ccnc(c2)Br 62a_100000198546_100009814637 [0,2,0,0,0,0|2,0,0]=4 14580 B17R2.215 Fc1ccc(cc1)CSc2ccnc(c2)Br 62a_100009814637_100000187164 [0,2,0,0,0,0|2,0,0]=4 14581 B17R2.215 Fc1ccc(cc1)CSc2ccnc(c2)Cl 62a_100000035001_100000187164 [0,2,0,0,0,0|2,0,0]=4 14582 B17R2.215 Fc1ccc(cc1)CSc2ccnc(c2)Cl 62a_100000198546_100000035001 [0,2,0,0,0,0|2,0,0]=4 14583 B17R2.215 Fc1ccc(cc1)CSc2ccnc(c2)F 62a_100000198546_100009816116 [0,2,0,0,0,0|2,0,0]=4 14584 B17R2.215 Fc1ccc(cc1)CSc2ccnc(c2)F 62a_100009816116_100000187164 [0,2,0,0,0,0|2,0,0]=4 14585 B17R2.215 Fc1ccc(cc1)CSc2cncc(c2)Br 62a_100000198546_100000728054 [0,2,0,0,0,0|2,0,0]=4 14586 B17R2.215 Fc1ccc(cc1)CSc2cncc(c2)Br 62a_100000728054_100000187164 [0,2,0,0,0,0|2,0,0]=4 14587 B17R2.215 Fc1ccc(cc1)CSc2cncc(c2)Cl 62a_100000049639_100000187164 [0,2,0,0,0,0|2,0,0]=4 14588 B17R2.215 Fc1ccc(cc1)CSc2cncc(c2)Cl 62a_100000198546_100000049639 [0,2,0,0,0,0|2,0,0]=4 14589 B17R2.215 Fc1ccc(cc1)CSc2cncc(c2)F 62a_100000198546_100000744099 [0,2,0,0,0,0|2,0,0]=4 14590 B17R2.215 Fc1ccc(cc1)CSc2cncc(c2)F 62a_100000744099_100000187164 [0,2,0,0,0,0|2,0,0]=4 14591 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)Br 207a_100000185862_100000210085 [0,2,0,0,0,0|2,0,0]=4 14592 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)Br 270302a_100000185862_100000210085 [0,2,0,0,0,0|2,0,0]=4 14593 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)Br 34a_100000185862_100000698116 [0,2,0,0,0,0|2,0,0]=4 14594 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)Cl 207a_100000185862_100000210801 [0,2,0,0,0,0|2,0,0]=4 14595 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)Cl 270302a_100000185862_100000210801 [0,2,0,0,0,0|2,0,0]=4 14596 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)Cl 34a_100000185862_100000187163 [0,2,0,0,0,0|2,0,0]=4 14597 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)F 207a_100000185862_100000210812 [0,2,0,0,0,0|2,0,0]=4 14598 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)F 270302a_100000185862_100000210812 [0,2,0,0,0,0|2,0,0]=4 14599 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)F 34a_100000185862_100000187166 [0,2,0,0,0,0|2,0,0]=4 14600 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)I 207a_100000185862_100000014684 [0,2,0,0,0,0|2,0,0]=4 14601 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)I 270302a_100000185862_100000014684 [0,2,0,0,0,0|2,0,0]=4 14602 B17R2.215 Fc1ccc(cc1)NCc2cccc(c2)I 34a_100000185862_100011218688 [0,2,0,0,0,0|2,0,0]=4 14603 B17R2.215 Fc1ccc(cc1)OCc2cccc(c2)Br 34a_100000210339_100000698116 [0,2,0,0,0,0|1,1,0]=4 14604 B17R2.215 Fc1ccc(cc1)OCc2cccc(c2)Cl 34a_100000210339_100000187163 [0,2,0,0,0,0|1,1,0]=4 14605 B17R2.215 Fc1ccc(cc1)OCc2cccc(c2)F 34a_100000210339_100000187166 [0,2,0,0,0,0|1,1,0]=4 14606 B17R2.215 Fc1ccc(cc1)OCc2cccc(c2)I 34a_100000210339_100011218688 [0,2,0,0,0,0|1,1,0]=4 14607 B17R2.215 Fc1ccc(cc1)SCc2cc(ccn2)Br 62a_100000211213_100010173614 [0,2,0,0,0,0|2,0,0]=4 14608 B17R2.215 Fc1ccc(cc1)SCc2cc(ccn2)Br 62a_100010173614_100000211213 [0,2,0,0,0,0|2,0,0]=4 14609 B17R2.215 Fc1ccc(cc1)SCc2cc(ccn2)Cl 62a_100000211213_100016988179 [0,2,0,0,0,0|2,0,0]=4 14610 B17R2.215 Fc1ccc(cc1)SCc2cc(ccn2)Cl 62a_100016988179_100000211213 [0,2,0,0,0,0|2,0,0]=4 14611 B17R2.215 Fc1ccc(cc1)SCc2cccc(c2)Br 62a_100000211213_100000211773 [0,2,0,0,0,0|1,0,0]=3 14612 B17R2.215 Fc1ccc(cc1)SCc2cccc(c2)Br 62a_100000211773_100000211213 [0,2,0,0,0,0|1,0,0]=3 14613 B17R2.215 Fc1ccc(cc1)SCc2cccc(c2)Cl 62a_100000187163_100000211213 [0,2,0,0,0,0|1,0,0]=3 14614 B17R2.215 Fc1ccc(cc1)SCc2cccc(c2)Cl 62a_100000211213_100000187163 [0,2,0,0,0,0|1,0,0]=3 14615 B17R2.215 Fc1ccc(cc1)SCc2cccc(c2)F 62a_100000211213_100000230114 [0,2,0,0,0,0|1,0,0]=3 14616 B17R2.215 Fc1ccc(cc1)SCc2cccc(c2)F 62a_100000230114_100000211213 [0,2,0,0,0,0|1,0,0]=3 14617 B17R2.215 Fc1ccc(cc1)SCc2cccc(c2)I 62a_100000211213_100011218688 [0,2,0,0,0,0|1,0,0]=3 14618 B17R2.215 Fc1ccc(cc1)SCc2cccc(c2)I 62a_100011218688_100000211213 [0,2,0,0,0,0|1,0,0]=3 14619 B17R2.215 Fc1ccc(cc1)SCc2cccc(n2)Br 62a_100000211213_100009889011 [0,2,0,0,0,0|2,0,0]=4 14620 B17R2.215 Fc1ccc(cc1)SCc2cccc(n2)Br 62a_100009889011_100000211213 [0,2,0,0,0,0|2,0,0]=4 14621 B17R2.215 Fc1ccc(cc1)SCc2cccc(n2)Cl 62a_100000086093_100000211213 [0,2,0,0,0,0|2,0,0]=4 14622 B17R2.215 Fc1ccc(cc1)SCc2cccc(n2)Cl 62a_100000211213_100000086093 [0,2,0,0,0,0|2,0,0]=4 14623 B17R2.215 Fc1ccc(cc1)SCc2cccc(n2)F 62a_100000211213_100009819644 [0,2,0,0,0,0|2,0,0]=4 14624 B17R2.215 Fc1ccc(cc1)SCc2cccc(n2)F 62a_100009819644_100000211213 [0,2,0,0,0,0|2,0,0]=4 14625 B17R2.215 Fc1ccc(cc1)SCc2ccnc(c2)Br 62a_100000211213_100010243470 [0,2,0,0,0,0|2,0,0]=4 14626 B17R2.215 Fc1ccc(cc1)SCc2ccnc(c2)Br 62a_100010254460_100000211213 [0,2,0,0,0,0|2,0,0]=4 14627 B17R2.215 Fc1ccc(cc1)SCc2ccnc(c2)Cl 62a_100000211213_100000764220 [0,2,0,0,0,0|2,0,0]=4 14628 B17R2.215 Fc1ccc(cc1)SCc2ccnc(c2)Cl 62a_100000764220_100000211213 [0,2,0,0,0,0|2,0,0]=4 14629 B17R2.215 Fc1ccc(cc1)SCc2cncc(c2)Br 62a_100000211213_100000738771 [0,2,0,0,0,0|2,0,0]=4 14630 B17R2.215 Fc1ccc(cc1)SCc2cncc(c2)Br 62a_100000738771_100000211213 [0,2,0,0,0,0|2,0,0]=4 14631 B17R2.215 Fc1ccc(cc1)SCc2cncc(c2)Cl 62a_100000211213_100016992070 [0,2,0,0,0,0|2,0,0]=4 14632 B17R2.215 Fc1ccc(cc1)SCc2cncc(c2)Cl 62a_100016992070_100000211213 [0,2,0,0,0,0|2,0,0]=4 14633 B17R2.215 Fc1ccc(cc1)SCc2cncc(c2)F 62a_100000211213_100000725299 [0,2,0,0,0,0|2,0,0]=4 14634 B17R2.215 Fc1ccc(cc1)SCc2cncc(c2)F 62a_100000725299_100000211213 [0,2,0,0,0,0|2,0,0]=4 14635 B17R2.215 Fc1ccc(cn1)CSc2cccc(c2)Br 62a_100000691529_100000099788 [0,2,0,0,0,0|2,0,0]=4 14636 B17R2.215 Fc1ccc(cn1)CSc2cccc(c2)Br 62a_100009820150_100000691529 [0,2,0,0,0,0|2,0,0]=4 14637 B17R2.215 Fc1ccc(cn1)CSc2cccc(c2)Cl 62a_100000699651_100000099788 [0,2,0,0,0,0|2,0,0]=4 14638 B17R2.215 Fc1ccc(cn1)CSc2cccc(c2)Cl 62a_100009820150_100000699651 [0,2,0,0,0,0|2,0,0]=4 14639 B17R2.215 Fc1ccc(cn1)CSc2cccc(c2)[S] 62a_100009820150_114929384022 [0,2,0,0,0,0|2,0,0]=4 14640 B17R2.215 Fc1ccc(cn1)CSc2cccc(c2)[S] 62a_114929384022_100000099788 [0,2,0,0,0,0|2,0,0]=4 14641 B17R2.215 Fc1ccc(cn1)SCc2cccc(c2)Br 62a_100000042367_100000211773 [0,2,0,0,0,0|2,0,0]=4 14642 B17R2.215 Fc1ccc(cn1)SCc2cccc(c2)Br 62a_100000211773_100000042367 [0,2,0,0,0,0|2,0,0]=4 14643 B17R2.215 Fc1ccc(cn1)SCc2cccc(c2)Cl 62a_100000042367_100000187163 [0,2,0,0,0,0|2,0,0]=4 14644 B17R2.215 Fc1ccc(cn1)SCc2cccc(c2)Cl 62a_100000187163_100000042367 [0,2,0,0,0,0|2,0,0]=4 14645 B17R2.215 Fc1ccc(cn1)SCc2cccc(c2)I 62a_100000042367_100011218688 [0,2,0,0,0,0|2,0,0]=4 14646 B17R2.215 Fc1ccc(cn1)SCc2cccc(c2)I 62a_100011218688_100000042367 [0,2,0,0,0,0|2,0,0]=4 14647 B17R2.215 Fc1ccc(nc1)CSc2cccc(c2)Br 62a_100000691529_100000703193 [0,2,0,0,0,0|2,0,0]=4 14648 B17R2.215 Fc1ccc(nc1)CSc2cccc(c2)Br 62a_100000703193_100000691529 [0,2,0,0,0,0|2,0,0]=4 14649 B17R2.215 Fc1ccc(nc1)CSc2cccc(c2)Cl 62a_100000699651_100000703193 [0,2,0,0,0,0|2,0,0]=4 14650 B17R2.215 Fc1ccc(nc1)CSc2cccc(c2)Cl 62a_100000703193_100000699651 [0,2,0,0,0,0|2,0,0]=4 14651 B17R2.215 Fc1ccc(nc1)CSc2cccc(c2)F 62a_100000685547_100000703193 [0,2,0,0,0,0|2,0,0]=4 14652 B17R2.215 Fc1ccc(nc1)CSc2cccc(c2)F 62a_100000703193_100000685547 [0,2,0,0,0,0|2,0,0]=4 14653 B17R2.215 Fc1ccc(nc1)CSc2cccc(c2)[S] 62a_100000703193_114929384022 [0,2,0,0,0,0|2,0,0]=4 14654 B17R2.215 Fc1ccc(nc1)CSc2cccc(c2)[S] 62a_114929384022_100000703193 [0,2,0,0,0,0|2,0,0]=4 14655 B17R2.215 Fc1ccc(nc1)SCc2cccc(c2)Br 62a_100000211773_100000744514 [0,2,0,0,0,0|2,0,0]=4 14656 B17R2.215 Fc1ccc(nc1)SCc2cccc(c2)Br 62a_100000744514_100000211773 [0,2,0,0,0,0|2,0,0]=4 14657 B17R2.215 Fc1ccc(nc1)SCc2cccc(c2)Cl 62a_100000187163_100000744514 [0,2,0,0,0,0|2,0,0]=4 14658 B17R2.215 Fc1ccc(nc1)SCc2cccc(c2)Cl 62a_100000744514_100000187163 [0,2,0,0,0,0|2,0,0]=4 14659 B17R2.215 Fc1ccc(nc1)SCc2cccc(c2)F 62a_100000230114_100000744514 [0,2,0,0,0,0|2,0,0]=4 14660 B17R2.215 Fc1ccc(nc1)SCc2cccc(c2)F 62a_100000744514_100000230114 [0,2,0,0,0,0|2,0,0]=4 14661 B17R2.215 Fc1ccc(nc1)SCc2cccc(c2)I 62a_100000744514_100011218688 [0,2,0,0,0,0|2,0,0]=4 14662 B17R2.215 Fc1ccc(nc1)SCc2cccc(c2)I 62a_100011218688_100000744514 [0,2,0,0,0,0|2,0,0]=4 14663 B17R2.215 Fc1cccc(c1)C=Cc2ccc(cc2)Br 271570a_100102525537_100000752885 [0,2,0,0,0,0|2,0,0]=4 14664 B17R2.215 Fc1cccc(c1)C=Cc2ccc(cc2)Br 271570a_100102527914_100000685547 [0,2,0,0,0,0|2,0,0]=4 14665 B17R2.215 Fc1cccc(c1)C=Cc2ccc(cc2)Cl 271570a_100102525537_100000755918 [0,2,0,0,0,0|2,0,0]=4 14666 B17R2.215 Fc1cccc(c1)C=Cc2ccc(cc2)Cl 271570a_100102527930_100000685547 [0,2,0,0,0,0|2,0,0]=4 14667 B17R2.215 Fc1cccc(c1)CNc2ccc(cc2)Br 207a_100000210018_100000210812 [0,2,0,0,0,0|2,0,0]=4 14668 B17R2.215 Fc1cccc(c1)CNc2ccc(cc2)Br 2230a_100000210018_100000230114 [0,2,0,0,0,0|2,0,0]=4 14669 B17R2.215 Fc1cccc(c1)CNc2ccc(cc2)Br 270302a_100000210018_100000210812 [0,2,0,0,0,0|2,0,0]=4 14670 B17R2.215 Fc1cccc(c1)CNc2ccc(cc2)Br 34a_100000210018_100000187166 [0,2,0,0,0,0|2,0,0]=4 14671 B17R2.215 Fc1cccc(c1)CNc2ccc(cc2)Cl 207a_100000210052_100000210812 [0,2,0,0,0,0|2,0,0]=4 14672 B17R2.215 Fc1cccc(c1)CNc2ccc(cc2)Cl 2230a_100000210052_100000230114 [0,2,0,0,0,0|2,0,0]=4 14673 B17R2.215 Fc1cccc(c1)CNc2ccc(cc2)Cl 270302a_100000210052_100000210812 [0,2,0,0,0,0|2,0,0]=4 14674 B17R2.215 Fc1cccc(c1)CNc2ccc(cc2)Cl 34a_100000210052_100000187166 [0,2,0,0,0,0|2,0,0]=4 14675 B17R2.215 Fc1cccc(c1)CNc2ccc(cc2)I 207a_100000185761_100000210812 [0,2,0,0,0,0|2,0,0]=4 14676 B17R2.215 Fc1cccc(c1)CNc2ccc(cc2)I 270302a_100000185761_100000210812 [0,2,0,0,0,0|2,0,0]=4 14677 B17R2.215 Fc1cccc(c1)CNc2ccc(cc2)I 34a_100000185761_100000187166 [0,2,0,0,0,0|2,0,0]=4 14678 B17R2.215 Fc1cccc(c1)COc2ccc(cc2)Br 34a_100000185759_100000187166 [0,2,0,0,0,0|1,1,0]=4 14679 B17R2.215 Fc1cccc(c1)COc2ccc(cc2)Br 7a_100000185759_100000230114 [0,2,0,0,0,0|1,1,0]=4 14680 B17R2.215 Fc1cccc(c1)COc2ccc(cc2)Cl 34a_100000210216_100000187166 [0,2,0,0,0,0|1,1,0]=4 14681 B17R2.215 Fc1cccc(c1)COc2ccc(cc2)Cl 7a_100000210216_100000230114 [0,2,0,0,0,0|1,1,0]=4 14682 B17R2.215 Fc1cccc(c1)COc2ccc(cc2)I 34a_100000212066_100000187166 [0,2,0,0,0,0|1,1,0]=4 14683 B17R2.215 Fc1cccc(c1)COc2ccc(cc2)I 7a_100000212066_100000230114 [0,2,0,0,0,0|1,1,0]=4 14684 B17R2.215 Fc1cccc(c1)CSc2ccc(cc2)Br 62a_100000230114_100000752885 [0,2,0,0,0,0|1,0,0]=3 14685 B17R2.215 Fc1cccc(c1)CSc2ccc(cc2)Br 62a_100000752885_100000230114 [0,2,0,0,0,0|1,0,0]=3 14686 B17R2.215 Fc1cccc(c1)CSc2ccc(cc2)Cl 62a_100000230114_100000755918 [0,2,0,0,0,0|1,0,0]=3 14687 B17R2.215 Fc1cccc(c1)CSc2ccc(cc2)Cl 62a_100000755918_100000230114 [0,2,0,0,0,0|1,0,0]=3 14688 B17R2.215 Fc1cccc(c1)CSc2ccc(cn2)Br 62a_100000230114_100000686858 [0,2,0,0,0,0|2,0,0]=4 14689 B17R2.215 Fc1cccc(c1)CSc2ccc(cn2)Br 62a_100000686858_100000230114 [0,2,0,0,0,0|2,0,0]=4 14690 B17R2.215 Fc1cccc(c1)CSc2ccc(cn2)Cl 62a_100000230114_100011356976 [0,2,0,0,0,0|2,0,0]=4 14691 B17R2.215 Fc1cccc(c1)CSc2ccc(cn2)Cl 62a_100011356976_100000230114 [0,2,0,0,0,0|2,0,0]=4 14692 B17R2.215 Fc1cccc(c1)CSc2ccc(nc2)Br 62a_100000230114_100009814638 [0,2,0,0,0,0|2,0,0]=4 14693 B17R2.215 Fc1cccc(c1)CSc2ccc(nc2)Br 62a_100009814638_100000230114 [0,2,0,0,0,0|2,0,0]=4 14694 B17R2.215 Fc1cccc(c1)CSc2ccc(nc2)Cl 62a_100000034144_100000230114 [0,2,0,0,0,0|2,0,0]=4 14695 B17R2.215 Fc1cccc(c1)CSc2ccc(nc2)Cl 62a_100000230114_100000034144 [0,2,0,0,0,0|2,0,0]=4 14696 B17R2.215 Fc1cccc(c1)CSc2ccc(nc2)F 62a_100000042367_100000230114 [0,2,0,0,0,0|2,0,0]=4 14697 B17R2.215 Fc1cccc(c1)CSc2ccc(nc2)F 62a_100000230114_100000042367 [0,2,0,0,0,0|2,0,0]=4 14698 B17R2.215 Fc1cccc(c1)NCc2ccc(cc2)Br 207a_100000210047_100000186029 [0,2,0,0,0,0|2,0,0]=4 14699 B17R2.215 Fc1cccc(c1)NCc2ccc(cc2)Br 270302a_100000210047_100000186029 [0,2,0,0,0,0|2,0,0]=4 14700 B17R2.215 Fc1cccc(c1)NCc2ccc(cc2)Br 34a_100000210047_100000189115 [0,2,0,0,0,0|2,0,0]=4 14701 B17R2.215 Fc1cccc(c1)NCc2ccc(cc2)Cl 207a_100000210047_100000189385 [0,2,0,0,0,0|2,0,0]=4 14702 B17R2.215 Fc1cccc(c1)NCc2ccc(cc2)Cl 270302a_100000210047_100000189385 [0,2,0,0,0,0|2,0,0]=4 14703 B17R2.215 Fc1cccc(c1)NCc2ccc(cc2)Cl 34a_100000210047_100000694040 [0,2,0,0,0,0|2,0,0]=4 14704 B17R2.215 Fc1cccc(c1)NCc2ccc(cc2)I 207a_100000210047_100000188517 [0,2,0,0,0,0|2,0,0]=4 14705 B17R2.215 Fc1cccc(c1)NCc2ccc(cc2)I 270302a_100000210047_100000188517 [0,2,0,0,0,0|2,0,0]=4 14706 B17R2.215 Fc1cccc(c1)NCc2ccc(cc2)I 34a_100000210047_100000189116 [0,2,0,0,0,0|2,0,0]=4 14707 B17R2.215 Fc1cccc(c1)OCc2ccc(cc2)Br 34a_100000210426_100000189115 [0,2,0,0,0,0|1,1,0]=4 14708 B17R2.215 Fc1cccc(c1)OCc2ccc(cc2)Br 7a_100000210426_100011217064 [0,2,0,0,0,0|1,1,0]=4 14709 B17R2.215 Fc1cccc(c1)OCc2ccc(cc2)Cl 34a_100000210426_100000694040 [0,2,0,0,0,0|1,1,0]=4 14710 B17R2.215 Fc1cccc(c1)OCc2ccc(cc2)Cl 7a_100000210426_100000187161 [0,2,0,0,0,0|1,1,0]=4 14711 B17R2.215 Fc1cccc(c1)OCc2ccc(cc2)I 34a_100000210426_100000189116 [0,2,0,0,0,0|1,1,0]=4 14712 B17R2.215 Fc1cccc(c1)OCc2ccc(cc2)I 7a_100000210426_100000189116 [0,2,0,0,0,0|1,1,0]=4 14713 B17R2.215 Fc1cccc(c1)SCc2ccc(cc2)Br 62a_100000189115_100000685547 [0,2,0,0,0,0|1,0,0]=3 14714 B17R2.215 Fc1cccc(c1)SCc2ccc(cc2)Br 62a_100000685547_100000189115 [0,2,0,0,0,0|1,0,0]=3 14715 B17R2.215 Fc1cccc(c1)SCc2ccc(cc2)Cl 62a_100000187161_100000685547 [0,2,0,0,0,0|1,0,0]=3 14716 B17R2.215 Fc1cccc(c1)SCc2ccc(cc2)Cl 62a_100000685547_100000187161 [0,2,0,0,0,0|1,0,0]=3 14717 B17R2.215 Fc1cccc(c1)SCc2ccc(cc2)I 62a_100000189116_100000685547 [0,2,0,0,0,0|1,0,0]=3 14718 B17R2.215 Fc1cccc(c1)SCc2ccc(cc2)I 62a_100000685547_100000189116 [0,2,0,0,0,0|1,0,0]=3 14719 B17R2.215 Fc1cccc(c1)SCc2ccc(cn2)Br 62a_100000685547_100000702658 [0,2,0,0,0,0|2,0,0]=4 14720 B17R2.215 Fc1cccc(c1)SCc2ccc(cn2)Br 62a_100000702658_100000685547 [0,2,0,0,0,0|2,0,0]=4 14721 B17R2.215 Fc1cccc(c1)SCc2ccc(cn2)Cl 62a_100000685547_100000697101 [0,2,0,0,0,0|2,0,0]=4 14722 B17R2.215 Fc1cccc(c1)SCc2ccc(cn2)Cl 62a_100012066911_100000685547 [0,2,0,0,0,0|2,0,0]=4 14723 B17R2.215 Fc1cccc(c1)SCc2ccc(nc2)Br 62a_100000685547_100009831999 [0,2,0,0,0,0|2,0,0]=4 14724 B17R2.215 Fc1cccc(c1)SCc2ccc(nc2)Br 62a_100009831999_100000685547 [0,2,0,0,0,0|2,0,0]=4 14725 B17R2.215 Fc1cccc(c1)SCc2ccc(nc2)Cl 62a_100000685547_100000735431 [0,2,0,0,0,0|2,0,0]=4 14726 B17R2.215 Fc1cccc(c1)SCc2ccc(nc2)Cl 62a_100000735431_100000685547 [0,2,0,0,0,0|2,0,0]=4 14727 B17R2.215 Fc1cccc(c1)SCc2ccc(nc2)F 62a_100000685547_100000099788 [0,2,0,0,0,0|2,0,0]=4 14728 B17R2.215 Fc1cccc(c1)SCc2ccc(nc2)F 62a_100009820150_100000685547 [0,2,0,0,0,0|2,0,0]=4 14729 B17R2.215 Fc1cccc(n1)CSc2ccc(cc2)Br 62a_100000752885_100009819644 [0,2,0,0,0,0|2,0,0]=4 14730 B17R2.215 Fc1cccc(n1)CSc2ccc(cc2)Br 62a_100009819644_100000752885 [0,2,0,0,0,0|2,0,0]=4 14731 B17R2.215 Fc1cccc(n1)CSc2ccc(cc2)Cl 62a_100000755918_100009819644 [0,2,0,0,0,0|2,0,0]=4 14732 B17R2.215 Fc1cccc(n1)CSc2ccc(cc2)Cl 62a_100009819644_100000755918 [0,2,0,0,0,0|2,0,0]=4 14733 B17R2.215 Fc1cccc(n1)SCc2ccc(cc2)Br 62a_100000189115_100009815982 [0,2,0,0,0,0|2,0,0]=4 14734 B17R2.215 Fc1cccc(n1)SCc2ccc(cc2)Br 62a_100009815982_100000189115 [0,2,0,0,0,0|2,0,0]=4 14735 B17R2.215 Fc1cccc(n1)SCc2ccc(cc2)Cl 62a_100000187161_100009815982 [0,2,0,0,0,0|2,0,0]=4 14736 B17R2.215 Fc1cccc(n1)SCc2ccc(cc2)Cl 62a_100009815982_100000187161 [0,2,0,0,0,0|2,0,0]=4 14737 B17R2.215 Fc1cccc(n1)SCc2ccc(cc2)I 62a_100000189116_100009815982 [0,2,0,0,0,0|2,0,0]=4 14738 B17R2.215 Fc1cccc(n1)SCc2ccc(cc2)I 62a_100009815982_100000189116 [0,2,0,0,0,0|2,0,0]=4 14739 B17R2.215 Fc1ccnc(c1)SCc2ccc(cc2)Br 62a_100000189115_100000764206 [0,2,0,0,0,0|2,0,0]=4 14740 B17R2.215 Fc1ccnc(c1)SCc2ccc(cc2)Br 62a_100000764206_100000189115 [0,2,0,0,0,0|2,0,0]=4 14741 B17R2.215 Fc1ccnc(c1)SCc2ccc(cc2)Cl 62a_100000187161_100000764206 [0,2,0,0,0,0|2,0,0]=4 14742 B17R2.215 Fc1ccnc(c1)SCc2ccc(cc2)Cl 62a_100000764206_100000187161 [0,2,0,0,0,0|2,0,0]=4 14743 B17R2.215 Fc1ccnc(c1)SCc2ccc(cc2)I 62a_100000189116_100000764206 [0,2,0,0,0,0|2,0,0]=4 14744 B17R2.215 Fc1ccnc(c1)SCc2ccc(cc2)I 62a_100000764206_100000189116 [0,2,0,0,0,0|2,0,0]=4 14745 B17R2.215 Fc1cncc(c1)CSc2ccc(cc2)Br 62a_100000725299_100000752885 [0,2,0,0,0,0|2,0,0]=4 14746 B17R2.215 Fc1cncc(c1)CSc2ccc(cc2)Br 62a_100000752885_100000725299 [0,2,0,0,0,0|2,0,0]=4 14747 B17R2.215 Fc1cncc(c1)CSc2ccc(cc2)Cl 62a_100000725299_100000755918 [0,2,0,0,0,0|2,0,0]=4 14748 B17R2.215 Fc1cncc(c1)CSc2ccc(cc2)Cl 62a_100000755918_100000725299 [0,2,0,0,0,0|2,0,0]=4 14749 B17R2.215 Fc1cncc(c1)SCc2ccc(cc2)Br 62a_100000189115_100000744099 [0,2,0,0,0,0|2,0,0]=4 14750 B17R2.215 Fc1cncc(c1)SCc2ccc(cc2)Br 62a_100000744099_100000189115 [0,2,0,0,0,0|2,0,0]=4 14751 B17R2.215 Fc1cncc(c1)SCc2ccc(cc2)Cl 62a_100000187161_100000744099 [0,2,0,0,0,0|2,0,0]=4 14752 B17R2.215 Fc1cncc(c1)SCc2ccc(cc2)Cl 62a_100000744099_100000187161 [0,2,0,0,0,0|2,0,0]=4 14753 B17R2.215 Fc1cncc(c1)SCc2ccc(cc2)I 62a_100000189116_100000744099 [0,2,0,0,0,0|2,0,0]=4 14754 B17R2.215 Fc1cncc(c1)SCc2ccc(cc2)I 62a_100000744099_100000189116 [0,2,0,0,0,0|2,0,0]=4 14755 B17R2.215 Ic1ccc(cc1)CNc2cccc(c2)I 207a_100000211102_100000188517 [0,2,0,0,0,0|2,0,0]=4 14756 B17R2.215 Ic1ccc(cc1)CNc2cccc(c2)I 270302a_100000211102_100000188517 [0,2,0,0,0,0|2,0,0]=4 14757 B17R2.215 Ic1ccc(cc1)CNc2cccc(c2)I 34a_100000211102_100000189116 [0,2,0,0,0,0|2,0,0]=4 14758 B17R2.215 Ic1ccc(cc1)COc2cccc(c2)I 34a_100000211634_100000189116 [0,2,0,0,0,0|1,1,0]=4 14759 B17R2.215 Ic1ccc(cc1)COc2cccc(c2)I 7a_100000211634_100000189116 [0,2,0,0,0,0|1,1,0]=4 14760 B17R2.215 Ic1ccc(cc1)NCc2cccc(c2)I 207a_100000185761_100000014684 [0,2,0,0,0,0|2,0,0]=4 14761 B17R2.215 Ic1ccc(cc1)NCc2cccc(c2)I 270302a_100000185761_100000014684 [0,2,0,0,0,0|2,0,0]=4 14762 B17R2.215 Ic1ccc(cc1)NCc2cccc(c2)I 34a_100000185761_100011218688 [0,2,0,0,0,0|2,0,0]=4 14763 B17R2.215 Ic1ccc(cc1)OCc2cccc(c2)I 34a_100000212066_100011218688 [0,2,0,0,0,0|1,1,0]=4 14764 B17R2.215 Ic1ccc(cc1)OCc2cccc(c2)I 7a_100000212066_100011218688 [0,2,0,0,0,0|1,1,0]=4 14765 B17R2.215 Nc1cc(ccn1)SCc2ccc(cc2)Br 62a_100000049665_100000189115 [0,2,0,0,0,0|2,0,0]=4 14766 B17R2.215 Nc1cc(ccn1)SCc2ccc(cc2)Br 62a_100000189115_100000049665 [0,2,0,0,0,0|2,0,0]=4 14767 B17R2.215 Nc1cc(ccn1)SCc2ccc(cc2)Cl 62a_100000049665_100000187161 [0,2,0,0,0,0|2,0,0]=4 14768 B17R2.215 Nc1cc(ccn1)SCc2ccc(cc2)Cl 62a_100000187161_100000049665 [0,2,0,0,0,0|2,0,0]=4 14769 B17R2.215 Nc1cc(ccn1)SCc2ccc(cc2)F 62a_100000049665_100000187164 [0,2,0,0,0,0|2,0,0]=4 14770 B17R2.215 Nc1cc(ccn1)SCc2ccc(cc2)F 62a_100000198546_100000049665 [0,2,0,0,0,0|2,0,0]=4 14771 B17R2.215 Nc1cc(ccn1)SCc2ccc(cc2)I 62a_100000049665_100000189116 [0,2,0,0,0,0|2,0,0]=4 14772 B17R2.215 Nc1cc(ccn1)SCc2ccc(cc2)I 62a_100000189116_100000049665 [0,2,0,0,0,0|2,0,0]=4 14773 B17R2.215 Nc1ccc(cc1)C=Cc2cccc(c2)Cl 271570a_100102525933_100000185761 [0,2,0,0,0,0|2,0,0]=4 14774 B17R2.215 Nc1ccc(cc1)C=Cc2cccc(c2)F 271570a_100102525537_100000185761 [0,2,0,0,0,0|2,0,0]=4 14775 B17R2.215 Nc1ccc(cc1)OCc2cccc(c2)Br 34a_100000185829_100000698116 [0,2,0,0,0,0|1,1,0]=4 14776 B17R2.215 Nc1ccc(cc1)OCc2cccc(c2)Cl 34a_100000185829_100000187163 [0,2,0,0,0,0|1,1,0]=4 14777 B17R2.215 Nc1ccc(cc1)OCc2cccc(c2)F 34a_100000185829_100000187166 [0,2,0,0,0,0|1,1,0]=4 14778 B17R2.215 Nc1ccc(cc1)OCc2cccc(c2)I 34a_100000185829_100011218688 [0,2,0,0,0,0|1,1,0]=4 14779 B17R2.215 Nc1ccc(cc1)OCc2cccc(c2)O 34a_100000185829_100011660834 [0,2,0,0,0,0|1,1,0]=4 14780 B17R2.215 Nc1ccc(cc1)SCc2cc(ccn2)Br 62a_100000185761_100010173614 [0,2,0,0,0,0|2,0,0]=4 14781 B17R2.215 Nc1ccc(cc1)SCc2cc(ccn2)Br 62a_100010173614_100000185761 [0,2,0,0,0,0|2,0,0]=4 14782 B17R2.215 Nc1ccc(cc1)SCc2cc(ccn2)Cl 62a_100000185761_100016988179 [0,2,0,0,0,0|2,0,0]=4 14783 B17R2.215 Nc1ccc(cc1)SCc2cc(ccn2)Cl 62a_100016988179_100000185761 [0,2,0,0,0,0|2,0,0]=4 14784 B17R2.215 Nc1ccc(cc1)SCc2cccc(c2)Br 62a_100000185761_100000211773 [0,2,0,0,0,0|1,0,0]=3 14785 B17R2.215 Nc1ccc(cc1)SCc2cccc(c2)Br 62a_100000211773_100000185761 [0,2,0,0,0,0|1,0,0]=3 14786 B17R2.215 Nc1ccc(cc1)SCc2cccc(c2)Cl 62a_100000185761_100000187163 [0,2,0,0,0,0|1,0,0]=3 14787 B17R2.215 Nc1ccc(cc1)SCc2cccc(c2)Cl 62a_100000187163_100000185761 [0,2,0,0,0,0|1,0,0]=3 14788 B17R2.215 Nc1ccc(cc1)SCc2cccc(c2)F 62a_100000185761_100000230114 [0,2,0,0,0,0|1,0,0]=3 14789 B17R2.215 Nc1ccc(cc1)SCc2cccc(c2)F 62a_100000230114_100000185761 [0,2,0,0,0,0|1,0,0]=3 14790 B17R2.215 Nc1ccc(cc1)SCc2cccc(c2)I 62a_100000185761_100011218688 [0,2,0,0,0,0|1,0,0]=3 14791 B17R2.215 Nc1ccc(cc1)SCc2cccc(c2)I 62a_100011218688_100000185761 [0,2,0,0,0,0|1,0,0]=3 14792 B17R2.215 Nc1ccc(cc1)SCc2cccc(c2)O 62a_100000185761_100011660834 [0,2,0,0,0,0|1,0,0]=3 14793 B17R2.215 Nc1ccc(cc1)SCc2cccc(c2)O 62a_100011660834_100000185761 [0,2,0,0,0,0|1,0,0]=3 14794 B17R2.215 Nc1ccc(cc1)SCc2cccc(n2)Br 62a_100000185761_100009889011 [0,2,0,0,0,0|2,0,0]=4 14795 B17R2.215 Nc1ccc(cc1)SCc2cccc(n2)Br 62a_100009889011_100000185761 [0,2,0,0,0,0|2,0,0]=4 14796 B17R2.215 Nc1ccc(cc1)SCc2cccc(n2)Cl 62a_100000086093_100000185761 [0,2,0,0,0,0|2,0,0]=4 14797 B17R2.215 Nc1ccc(cc1)SCc2cccc(n2)Cl 62a_100000185761_100000086093 [0,2,0,0,0,0|2,0,0]=4 14798 B17R2.215 Nc1ccc(cc1)SCc2cccc(n2)F 62a_100000185761_100009819644 [0,2,0,0,0,0|2,0,0]=4 14799 B17R2.215 Nc1ccc(cc1)SCc2cccc(n2)F 62a_100009819644_100000185761 [0,2,0,0,0,0|2,0,0]=4 14800 B17R2.215 Nc1ccc(cc1)SCc2ccnc(c2)Br 62a_100000185761_100010243470 [0,2,0,0,0,0|2,0,0]=4 14801 B17R2.215 Nc1ccc(cc1)SCc2ccnc(c2)Br 62a_100010254460_100000185761 [0,2,0,0,0,0|2,0,0]=4 14802 B17R2.215 Nc1ccc(cc1)SCc2ccnc(c2)Cl 62a_100000185761_100000764220 [0,2,0,0,0,0|2,0,0]=4 14803 B17R2.215 Nc1ccc(cc1)SCc2ccnc(c2)Cl 62a_100000764220_100000185761 [0,2,0,0,0,0|2,0,0]=4 14804 B17R2.215 Nc1ccc(cc1)SCc2cncc(c2)Br 62a_100000185761_100000738771 [0,2,0,0,0,0|2,0,0]=4 14805 B17R2.215 Nc1ccc(cc1)SCc2cncc(c2)Br 62a_100000738771_100000185761 [0,2,0,0,0,0|2,0,0]=4 14806 B17R2.215 Nc1ccc(cc1)SCc2cncc(c2)Cl 62a_100000185761_100016992070 [0,2,0,0,0,0|2,0,0]=4 14807 B17R2.215 Nc1ccc(cc1)SCc2cncc(c2)Cl 62a_100016992070_100000185761 [0,2,0,0,0,0|2,0,0]=4 14808 B17R2.215 Nc1ccc(cc1)SCc2cncc(c2)F 62a_100000185761_100000725299 [0,2,0,0,0,0|2,0,0]=4 14809 B17R2.215 Nc1ccc(cc1)SCc2cncc(c2)F 62a_100000725299_100000185761 [0,2,0,0,0,0|2,0,0]=4 14810 B17R2.215 Nc1ccc(cn1)SCc2cccc(c2)Br 62a_100000187370_100000211773 [0,2,0,0,0,0|2,0,0]=4 14811 B17R2.215 Nc1ccc(cn1)SCc2cccc(c2)Br 62a_100000211773_100000187370 [0,2,0,0,0,0|2,0,0]=4 14812 B17R2.215 Nc1ccc(cn1)SCc2cccc(c2)Cl 62a_100000187163_100000187370 [0,2,0,0,0,0|2,0,0]=4 14813 B17R2.215 Nc1ccc(cn1)SCc2cccc(c2)Cl 62a_100000187370_100000187163 [0,2,0,0,0,0|2,0,0]=4 14814 B17R2.215 Nc1ccc(cn1)SCc2cccc(c2)F 62a_100000187370_100000230114 [0,2,0,0,0,0|2,0,0]=4 14815 B17R2.215 Nc1ccc(cn1)SCc2cccc(c2)F 62a_100000230114_100000187370 [0,2,0,0,0,0|2,0,0]=4 14816 B17R2.215 Nc1ccc(cn1)SCc2cccc(c2)I 62a_100000187370_100011218688 [0,2,0,0,0,0|2,0,0]=4 14817 B17R2.215 Nc1ccc(cn1)SCc2cccc(c2)I 62a_100011218688_100000187370 [0,2,0,0,0,0|2,0,0]=4 14818 B17R2.215 Nc1ccc(cn1)SCc2cccc(c2)O 62a_100000187370_100011660834 [0,2,0,0,0,0|2,0,0]=4 14819 B17R2.215 Nc1ccc(cn1)SCc2cccc(c2)O 62a_100011660834_100000187370 [0,2,0,0,0,0|2,0,0]=4 14820 B17R2.215 Nc1ccc(nc1)SCc2cccc(c2)Br 62a_100000211773_100000737798 [0,2,0,0,0,0|2,0,0]=4 14821 B17R2.215 Nc1ccc(nc1)SCc2cccc(c2)Br 62a_100000737798_100000211773 [0,2,0,0,0,0|2,0,0]=4 14822 B17R2.215 Nc1ccc(nc1)SCc2cccc(c2)Cl 62a_100000187163_100000737798 [0,2,0,0,0,0|2,0,0]=4 14823 B17R2.215 Nc1ccc(nc1)SCc2cccc(c2)Cl 62a_100000737798_100000187163 [0,2,0,0,0,0|2,0,0]=4 14824 B17R2.215 Nc1ccc(nc1)SCc2cccc(c2)F 62a_100000230114_100000737798 [0,2,0,0,0,0|2,0,0]=4 14825 B17R2.215 Nc1ccc(nc1)SCc2cccc(c2)F 62a_100000737798_100000230114 [0,2,0,0,0,0|2,0,0]=4 14826 B17R2.215 Nc1ccc(nc1)SCc2cccc(c2)I 62a_100000737798_100011218688 [0,2,0,0,0,0|2,0,0]=4 14827 B17R2.215 Nc1ccc(nc1)SCc2cccc(c2)I 62a_100011218688_100000737798 [0,2,0,0,0,0|2,0,0]=4 14828 B17R2.215 Nc1ccc(nc1)SCc2cccc(c2)O 62a_100000737798_100011660834 [0,2,0,0,0,0|2,0,0]=4 14829 B17R2.215 Nc1ccc(nc1)SCc2cccc(c2)O 62a_100011660834_100000737798 [0,2,0,0,0,0|2,0,0]=4 14830 B17R2.215 Nc1cccc(c1)C=Cc2ccc(cc2)Br 271570a_100102527914_100000210019 [0,2,0,0,0,0|2,0,0]=4 14831 B17R2.215 Nc1cccc(c1)C=Cc2ccc(cc2)Cl 271570a_100102527930_100000210019 [0,2,0,0,0,0|2,0,0]=4 14832 B17R2.215 Nc1cccc(c1)C=Cc2ccc(cc2)F 271570a_100102525539_100000210019 [0,2,0,0,0,0|2,0,0]=4 14833 B17R2.215 Nc1cccc(c1)OCc2ccc(cc2)Br 34a_100000210217_100000189115 [0,2,0,0,0,0|1,1,0]=4 14834 B17R2.215 Nc1cccc(c1)OCc2ccc(cc2)Cl 34a_100000210217_100000694040 [0,2,0,0,0,0|1,1,0]=4 14835 B17R2.215 Nc1cccc(c1)OCc2ccc(cc2)F 34a_100000210217_100000198546 [0,2,0,0,0,0|1,1,0]=4 14836 B17R2.215 Nc1cccc(c1)OCc2ccc(cc2)I 34a_100000210217_100000189116 [0,2,0,0,0,0|1,1,0]=4 14837 B17R2.215 Nc1cccc(c1)SCc2ccc(cc2)Br 62a_100000189115_100000210019 [0,2,0,0,0,0|1,0,0]=3 14838 B17R2.215 Nc1cccc(c1)SCc2ccc(cc2)Br 62a_100000210019_100000189115 [0,2,0,0,0,0|1,0,0]=3 14839 B17R2.215 Nc1cccc(c1)SCc2ccc(cc2)Cl 62a_100000187161_100000210019 [0,2,0,0,0,0|1,0,0]=3 14840 B17R2.215 Nc1cccc(c1)SCc2ccc(cc2)Cl 62a_100000210019_100000187161 [0,2,0,0,0,0|1,0,0]=3 14841 B17R2.215 Nc1cccc(c1)SCc2ccc(cc2)F 62a_100000198546_100000210019 [0,2,0,0,0,0|1,0,0]=3 14842 B17R2.215 Nc1cccc(c1)SCc2ccc(cc2)F 62a_100000210019_100000187164 [0,2,0,0,0,0|1,0,0]=3 14843 B17R2.215 Nc1cccc(c1)SCc2ccc(cc2)I 62a_100000189116_100000210019 [0,2,0,0,0,0|1,0,0]=3 14844 B17R2.215 Nc1cccc(c1)SCc2ccc(cc2)I 62a_100000210019_100000189116 [0,2,0,0,0,0|1,0,0]=3 14845 B17R2.215 Nc1cccc(c1)SCc2ccc(cn2)Br 62a_100000210019_100000702658 [0,2,0,0,0,0|2,0,0]=4 14846 B17R2.215 Nc1cccc(c1)SCc2ccc(cn2)Br 62a_100000702658_100000210019 [0,2,0,0,0,0|2,0,0]=4 14847 B17R2.215 Nc1cccc(c1)SCc2ccc(cn2)Cl 62a_100000210019_100000697101 [0,2,0,0,0,0|2,0,0]=4 14848 B17R2.215 Nc1cccc(c1)SCc2ccc(cn2)Cl 62a_100012066911_100000210019 [0,2,0,0,0,0|2,0,0]=4 14849 B17R2.215 Nc1cccc(c1)SCc2ccc(cn2)F 62a_100000210019_100000703193 [0,2,0,0,0,0|2,0,0]=4 14850 B17R2.215 Nc1cccc(c1)SCc2ccc(cn2)F 62a_100000703193_100000210019 [0,2,0,0,0,0|2,0,0]=4 14851 B17R2.215 Nc1cccc(c1)SCc2ccc(nc2)Br 62a_100000210019_100009831999 [0,2,0,0,0,0|2,0,0]=4 14852 B17R2.215 Nc1cccc(c1)SCc2ccc(nc2)Br 62a_100009831999_100000210019 [0,2,0,0,0,0|2,0,0]=4 14853 B17R2.215 Nc1cccc(c1)SCc2ccc(nc2)Cl 62a_100000210019_100000735431 [0,2,0,0,0,0|2,0,0]=4 14854 B17R2.215 Nc1cccc(c1)SCc2ccc(nc2)Cl 62a_100000735431_100000210019 [0,2,0,0,0,0|2,0,0]=4 14855 B17R2.215 Nc1cccc(c1)SCc2ccc(nc2)F 62a_100000210019_100000099788 [0,2,0,0,0,0|2,0,0]=4 14856 B17R2.215 Nc1cccc(c1)SCc2ccc(nc2)F 62a_100009820150_100000210019 [0,2,0,0,0,0|2,0,0]=4 14857 B17R2.215 Nc1cccc(n1)SCc2ccc(cc2)Br 62a_100000189115_100000740741 [0,2,0,0,0,0|2,0,0]=4 14858 B17R2.215 Nc1cccc(n1)SCc2ccc(cc2)Br 62a_100000740741_100000189115 [0,2,0,0,0,0|2,0,0]=4 14859 B17R2.215 Nc1cccc(n1)SCc2ccc(cc2)Cl 62a_100000187161_100000740741 [0,2,0,0,0,0|2,0,0]=4 14860 B17R2.215 Nc1cccc(n1)SCc2ccc(cc2)Cl 62a_100000740741_100000187161 [0,2,0,0,0,0|2,0,0]=4 14861 B17R2.215 Nc1cccc(n1)SCc2ccc(cc2)F 62a_100000198546_100000740741 [0,2,0,0,0,0|2,0,0]=4 14862 B17R2.215 Nc1cccc(n1)SCc2ccc(cc2)F 62a_100000740741_100000187164 [0,2,0,0,0,0|2,0,0]=4 14863 B17R2.215 Nc1cccc(n1)SCc2ccc(cc2)I 62a_100000189116_100000740741 [0,2,0,0,0,0|2,0,0]=4 14864 B17R2.215 Nc1cccc(n1)SCc2ccc(cc2)I 62a_100000740741_100000189116 [0,2,0,0,0,0|2,0,0]=4 14865 B17R2.215 Nc1ccnc(c1)SCc2ccc(cc2)Br 62a_100000189115_100009814236 [0,2,0,0,0,0|2,0,0]=4 14866 B17R2.215 Nc1ccnc(c1)SCc2ccc(cc2)Br 62a_100009814236_100000189115 [0,2,0,0,0,0|2,0,0]=4 14867 B17R2.215 Nc1ccnc(c1)SCc2ccc(cc2)Cl 62a_100000187161_100009814236 [0,2,0,0,0,0|2,0,0]=4 14868 B17R2.215 Nc1ccnc(c1)SCc2ccc(cc2)Cl 62a_100009814236_100000187161 [0,2,0,0,0,0|2,0,0]=4 14869 B17R2.215 Nc1ccnc(c1)SCc2ccc(cc2)F 62a_100000198546_100009814236 [0,2,0,0,0,0|2,0,0]=4 14870 B17R2.215 Nc1ccnc(c1)SCc2ccc(cc2)F 62a_100009814236_100000187164 [0,2,0,0,0,0|2,0,0]=4 14871 B17R2.215 Nc1ccnc(c1)SCc2ccc(cc2)I 62a_100000189116_100009814236 [0,2,0,0,0,0|2,0,0]=4 14872 B17R2.215 Nc1ccnc(c1)SCc2ccc(cc2)I 62a_100009814236_100000189116 [0,2,0,0,0,0|2,0,0]=4 14873 B17R2.215 Nc1cncc(c1)SCc2ccc(cc2)Br 62a_100000189115_100000687067 [0,2,0,0,0,0|2,0,0]=4 14874 B17R2.215 Nc1cncc(c1)SCc2ccc(cc2)Br 62a_100000687067_100000189115 [0,2,0,0,0,0|2,0,0]=4 14875 B17R2.215 Nc1cncc(c1)SCc2ccc(cc2)Cl 62a_100000187161_100000687067 [0,2,0,0,0,0|2,0,0]=4 14876 B17R2.215 Nc1cncc(c1)SCc2ccc(cc2)Cl 62a_100000687067_100000187161 [0,2,0,0,0,0|2,0,0]=4 14877 B17R2.215 Nc1cncc(c1)SCc2ccc(cc2)F 62a_100000198546_100000687067 [0,2,0,0,0,0|2,0,0]=4 14878 B17R2.215 Nc1cncc(c1)SCc2ccc(cc2)F 62a_100000687067_100000187164 [0,2,0,0,0,0|2,0,0]=4 14879 B17R2.215 Nc1cncc(c1)SCc2ccc(cc2)I 62a_100000189116_100000687067 [0,2,0,0,0,0|2,0,0]=4 14880 B17R2.215 Nc1cncc(c1)SCc2ccc(cc2)I 62a_100000687067_100000189116 [0,2,0,0,0,0|2,0,0]=4 14881 B17R2.215 O=c1cc(cc[nH]1)SCc2ccc(cc2)Br 62a_100000189115_100009816521 [0,2,0,0,0,0|2,0,0]=4 14882 B17R2.215 O=c1cc(cc[nH]1)SCc2ccc(cc2)Br 62a_100009816521_100000189115 [0,2,0,0,0,0|2,0,0]=4 14883 B17R2.215 O=c1cc(cc[nH]1)SCc2ccc(cc2)Cl 62a_100000187161_100009816521 [0,2,0,0,0,0|2,0,0]=4 14884 B17R2.215 O=c1cc(cc[nH]1)SCc2ccc(cc2)Cl 62a_100009816521_100000187161 [0,2,0,0,0,0|2,0,0]=4 14885 B17R2.215 O=c1cc(cc[nH]1)SCc2ccc(cc2)F 62a_100000198546_100009816521 [0,2,0,0,0,0|2,0,0]=4 14886 B17R2.215 O=c1cc(cc[nH]1)SCc2ccc(cc2)F 62a_100009816521_100000187164 [0,2,0,0,0,0|2,0,0]=4 14887 B17R2.215 O=c1cc(cc[nH]1)SCc2ccc(cc2)I 62a_100000189116_100009816521 [0,2,0,0,0,0|2,0,0]=4 14888 B17R2.215 O=c1cc(cc[nH]1)SCc2ccc(cc2)I 62a_100009816521_100000189116 [0,2,0,0,0,0|2,0,0]=4 14889 B17R2.215 O=c1cc[nH]c(c1)SCc2ccc(cc2)Br 62a_100009817434_100000189115 [0,2,0,0,0,0|2,0,0]=4 14890 B17R2.215 O=c1cc[nH]c(c1)SCc2ccc(cc2)Cl 62a_100009817434_100000187161 [0,2,0,0,0,0|2,0,0]=4 14891 B17R2.215 O=c1cc[nH]c(c1)SCc2ccc(cc2)F 62a_100009817434_100000187164 [0,2,0,0,0,0|2,0,0]=4 14892 B17R2.215 O=c1cc[nH]c(c1)SCc2ccc(cc2)I 62a_100009817434_100000189116 [0,2,0,0,0,0|2,0,0]=4 14893 B17R2.215 O=c1ccc(c[nH]1)SCc2cccc(c2)Br 62a_100000211773_100000212171 [0,2,0,0,0,0|2,0,0]=4 14894 B17R2.215 O=c1ccc(c[nH]1)SCc2cccc(c2)Br 62a_100000212171_100000211773 [0,2,0,0,0,0|2,0,0]=4 14895 B17R2.215 O=c1ccc(c[nH]1)SCc2cccc(c2)Cl 62a_100000187163_100000212171 [0,2,0,0,0,0|2,0,0]=4 14896 B17R2.215 O=c1ccc(c[nH]1)SCc2cccc(c2)Cl 62a_100000212171_100000187163 [0,2,0,0,0,0|2,0,0]=4 14897 B17R2.215 O=c1ccc(c[nH]1)SCc2cccc(c2)F 62a_100000212171_100000230114 [0,2,0,0,0,0|2,0,0]=4 14898 B17R2.215 O=c1ccc(c[nH]1)SCc2cccc(c2)F 62a_100000230114_100000212171 [0,2,0,0,0,0|2,0,0]=4 14899 B17R2.215 O=c1ccc(c[nH]1)SCc2cccc(c2)I 62a_100000212171_100011218688 [0,2,0,0,0,0|2,0,0]=4 14900 B17R2.215 O=c1ccc(c[nH]1)SCc2cccc(c2)I 62a_100011218688_100000212171 [0,2,0,0,0,0|2,0,0]=4 14901 B17R2.215 O=c1ccc(c[nH]1)SCc2cccc(c2)O 62a_100000212171_100011660834 [0,2,0,0,0,0|2,0,0]=4 14902 B17R2.215 O=c1ccc(c[nH]1)SCc2cccc(c2)O 62a_100011660834_100000212171 [0,2,0,0,0,0|2,0,0]=4 14903 B17R2.215 O=c1cccc([nH]1)SCc2ccc(cc2)Br 62a_100000189115_100000752884 [0,2,0,0,0,0|2,0,0]=4 14904 B17R2.215 O=c1cccc([nH]1)SCc2ccc(cc2)Cl 62a_100000187161_100000752884 [0,2,0,0,0,0|2,0,0]=4 14905 B17R2.215 O=c1cccc([nH]1)SCc2ccc(cc2)F 62a_100000198546_100000752884 [0,2,0,0,0,0|2,0,0]=4 14906 B17R2.215 O=c1cccc([nH]1)SCc2ccc(cc2)I 62a_100000189116_100000752884 [0,2,0,0,0,0|2,0,0]=4 14907 B17R2.215 Oc1ccc(cc1)C=Cc2cccc(c2)Cl 271570a_100102525933_100000185759 [0,2,0,0,0,0|2,0,0]=4 14908 B17R2.215 Oc1ccc(cc1)C=Cc2cccc(c2)F 271570a_100102525537_100000185759 [0,2,0,0,0,0|2,0,0]=4 14909 B17R2.215 Oc1ccc(cc1)NCc2cccc(c2)Br 270302a_100000185829_100000210085 [0,2,0,0,0,0|2,0,0]=4 14910 B17R2.215 Oc1ccc(cc1)NCc2cccc(c2)Br 34a_100000185829_100000698116 [0,2,0,0,0,0|2,0,0]=4 14911 B17R2.215 Oc1ccc(cc1)NCc2cccc(c2)Cl 270302a_100000185829_100000210801 [0,2,0,0,0,0|2,0,0]=4 14912 B17R2.215 Oc1ccc(cc1)NCc2cccc(c2)Cl 34a_100000185829_100000187163 [0,2,0,0,0,0|2,0,0]=4 14913 B17R2.215 Oc1ccc(cc1)NCc2cccc(c2)F 270302a_100000185829_100000210812 [0,2,0,0,0,0|2,0,0]=4 14914 B17R2.215 Oc1ccc(cc1)NCc2cccc(c2)F 34a_100000185829_100000187166 [0,2,0,0,0,0|2,0,0]=4 14915 B17R2.215 Oc1ccc(cc1)NCc2cccc(c2)I 270302a_100000185829_100000014684 [0,2,0,0,0,0|2,0,0]=4 14916 B17R2.215 Oc1ccc(cc1)NCc2cccc(c2)I 34a_100000185829_100011218688 [0,2,0,0,0,0|2,0,0]=4 14917 B17R2.215 Oc1ccc(cc1)NCc2cccc(c2)O 34a_100000185829_100011660834 [0,2,0,0,0,0|2,0,0]=4 14918 B17R2.215 Oc1ccc(cc1)SCc2cc(ccn2)Br 62a_100010173614_100000185759 [0,2,0,0,0,0|2,0,0]=4 14919 B17R2.215 Oc1ccc(cc1)SCc2cc(ccn2)Cl 62a_100016988179_100000185759 [0,2,0,0,0,0|2,0,0]=4 14920 B17R2.215 Oc1ccc(cc1)SCc2cccc(c2)Br 62a_100000211773_100000185759 [0,2,0,0,0,0|1,0,0]=3 14921 B17R2.215 Oc1ccc(cc1)SCc2cccc(c2)Cl 62a_100000187163_100000185759 [0,2,0,0,0,0|1,0,0]=3 14922 B17R2.215 Oc1ccc(cc1)SCc2cccc(c2)F 62a_100000230114_100000185759 [0,2,0,0,0,0|1,0,0]=3 14923 B17R2.215 Oc1ccc(cc1)SCc2cccc(c2)I 62a_100011218688_100000185759 [0,2,0,0,0,0|1,0,0]=3 14924 B17R2.215 Oc1ccc(cc1)SCc2cccc(c2)O 62a_100011660834_100000185759 [0,2,0,0,0,0|1,0,0]=3 14925 B17R2.215 Oc1ccc(cc1)SCc2cccc(n2)Br 62a_100009889011_100000185759 [0,2,0,0,0,0|2,0,0]=4 14926 B17R2.215 Oc1ccc(cc1)SCc2cccc(n2)Cl 62a_100000086093_100000185759 [0,2,0,0,0,0|2,0,0]=4 14927 B17R2.215 Oc1ccc(cc1)SCc2cccc(n2)F 62a_100009819644_100000185759 [0,2,0,0,0,0|2,0,0]=4 14928 B17R2.215 Oc1ccc(cc1)SCc2ccnc(c2)Br 62a_100010254460_100000185759 [0,2,0,0,0,0|2,0,0]=4 14929 B17R2.215 Oc1ccc(cc1)SCc2ccnc(c2)Cl 62a_100000764220_100000185759 [0,2,0,0,0,0|2,0,0]=4 14930 B17R2.215 Oc1ccc(cc1)SCc2cncc(c2)Br 62a_100000738771_100000185759 [0,2,0,0,0,0|2,0,0]=4 14931 B17R2.215 Oc1ccc(cc1)SCc2cncc(c2)Cl 62a_100016992070_100000185759 [0,2,0,0,0,0|2,0,0]=4 14932 B17R2.215 Oc1ccc(cc1)SCc2cncc(c2)F 62a_100000725299_100000185759 [0,2,0,0,0,0|2,0,0]=4 14933 B17R2.215 Oc1ccc(nc1)SCc2cccc(c2)Br 62a_100000211773_100000744096 [0,2,0,0,0,0|2,0,0]=4 14934 B17R2.215 Oc1ccc(nc1)SCc2cccc(c2)Br 62a_100000685995_100000211773 [0,2,0,0,0,0|2,0,0]=4 14935 B17R2.215 Oc1ccc(nc1)SCc2cccc(c2)Cl 62a_100000187163_100000744096 [0,2,0,0,0,0|2,0,0]=4 14936 B17R2.215 Oc1ccc(nc1)SCc2cccc(c2)Cl 62a_100000685995_100000187163 [0,2,0,0,0,0|2,0,0]=4 14937 B17R2.215 Oc1ccc(nc1)SCc2cccc(c2)F 62a_100000230114_100000744096 [0,2,0,0,0,0|2,0,0]=4 14938 B17R2.215 Oc1ccc(nc1)SCc2cccc(c2)F 62a_100000685995_100000230114 [0,2,0,0,0,0|2,0,0]=4 14939 B17R2.215 Oc1ccc(nc1)SCc2cccc(c2)I 62a_100000685995_100011218688 [0,2,0,0,0,0|2,0,0]=4 14940 B17R2.215 Oc1ccc(nc1)SCc2cccc(c2)I 62a_100011218688_100000744096 [0,2,0,0,0,0|2,0,0]=4 14941 B17R2.215 Oc1ccc(nc1)SCc2cccc(c2)O 62a_100000685995_100011660834 [0,2,0,0,0,0|2,0,0]=4 14942 B17R2.215 Oc1ccc(nc1)SCc2cccc(c2)O 62a_100011660834_100000744096 [0,2,0,0,0,0|2,0,0]=4 14943 B17R2.215 Oc1cccc(c1)C=Cc2ccc(cc2)Br 271570a_100102527914_100000211634 [0,2,0,0,0,0|2,0,0]=4 14944 B17R2.215 Oc1cccc(c1)C=Cc2ccc(cc2)Cl 271570a_100102527930_100000211634 [0,2,0,0,0,0|2,0,0]=4 14945 B17R2.215 Oc1cccc(c1)C=Cc2ccc(cc2)F 271570a_100102525539_100000211634 [0,2,0,0,0,0|2,0,0]=4 14946 B17R2.215 Oc1cccc(c1)CNc2ccc(cc2)Br 207a_100000210018_100000188321 [0,2,0,0,0,0|2,0,0]=4 14947 B17R2.215 Oc1cccc(c1)CNc2ccc(cc2)Br 2230a_100000210018_100011660834 [0,2,0,0,0,0|2,0,0]=4 14948 B17R2.215 Oc1cccc(c1)CNc2ccc(cc2)Br 34a_100000210018_100011660834 [0,2,0,0,0,0|2,0,0]=4 14949 B17R2.215 Oc1cccc(c1)CNc2ccc(cc2)Cl 207a_100000210052_100000188321 [0,2,0,0,0,0|2,0,0]=4 14950 B17R2.215 Oc1cccc(c1)CNc2ccc(cc2)Cl 2230a_100000210052_100011660834 [0,2,0,0,0,0|2,0,0]=4 14951 B17R2.215 Oc1cccc(c1)CNc2ccc(cc2)Cl 34a_100000210052_100011660834 [0,2,0,0,0,0|2,0,0]=4 14952 B17R2.215 Oc1cccc(c1)CNc2ccc(cc2)F 207a_100000185862_100000188321 [0,2,0,0,0,0|2,0,0]=4 14953 B17R2.215 Oc1cccc(c1)CNc2ccc(cc2)F 34a_100000185862_100011660834 [0,2,0,0,0,0|2,0,0]=4 14954 B17R2.215 Oc1cccc(c1)CNc2ccc(cc2)I 207a_100000185761_100000188321 [0,2,0,0,0,0|2,0,0]=4 14955 B17R2.215 Oc1cccc(c1)CNc2ccc(cc2)I 34a_100000185761_100011660834 [0,2,0,0,0,0|2,0,0]=4 14956 B17R2.215 Oc1cccc(c1)COc2ccc(cc2)Br 34a_100000185759_100011660834 [0,2,0,0,0,0|1,1,0]=4 14957 B17R2.215 Oc1cccc(c1)COc2ccc(cc2)Br 7a_100000185759_100000084143 [0,2,0,0,0,0|1,1,0]=4 14958 B17R2.215 Oc1cccc(c1)COc2ccc(cc2)Cl 34a_100000210216_100011660834 [0,2,0,0,0,0|1,1,0]=4 14959 B17R2.215 Oc1cccc(c1)COc2ccc(cc2)Cl 7a_100000210216_100000084143 [0,2,0,0,0,0|1,1,0]=4 14960 B17R2.215 Oc1cccc(c1)COc2ccc(cc2)F 34a_100000210339_100011660834 [0,2,0,0,0,0|1,1,0]=4 14961 B17R2.215 Oc1cccc(c1)COc2ccc(cc2)I 34a_100000212066_100011660834 [0,2,0,0,0,0|1,1,0]=4 14962 B17R2.215 Oc1cccc(c1)COc2ccc(cc2)I 7a_100000212066_100000084143 [0,2,0,0,0,0|1,1,0]=4 14963 B17R2.215 Oc1cccc(c1)CSc2ccc(cc2)Br 62a_100000752885_100011660834 [0,2,0,0,0,0|1,0,0]=3 14964 B17R2.215 Oc1cccc(c1)CSc2ccc(cc2)Br 62a_100011660834_100000752885 [0,2,0,0,0,0|1,0,0]=3 14965 B17R2.215 Oc1cccc(c1)CSc2ccc(cc2)Cl 62a_100000755918_100011660834 [0,2,0,0,0,0|1,0,0]=3 14966 B17R2.215 Oc1cccc(c1)CSc2ccc(cc2)Cl 62a_100011660834_100000755918 [0,2,0,0,0,0|1,0,0]=3 14967 B17R2.215 Oc1cccc(c1)CSc2ccc(cc2)F 62a_100000211213_100011660834 [0,2,0,0,0,0|1,0,0]=3 14968 B17R2.215 Oc1cccc(c1)CSc2ccc(cc2)F 62a_100011660834_100000211213 [0,2,0,0,0,0|1,0,0]=3 14969 B17R2.215 Oc1cccc(c1)CSc2ccc(cn2)Br 62a_100000686858_100011660834 [0,2,0,0,0,0|2,0,0]=4 14970 B17R2.215 Oc1cccc(c1)CSc2ccc(cn2)Br 62a_100011660834_100000686858 [0,2,0,0,0,0|2,0,0]=4 14971 B17R2.215 Oc1cccc(c1)CSc2ccc(cn2)Cl 62a_100011356976_100011660834 [0,2,0,0,0,0|2,0,0]=4 14972 B17R2.215 Oc1cccc(c1)CSc2ccc(cn2)Cl 62a_100011660834_100011356976 [0,2,0,0,0,0|2,0,0]=4 14973 B17R2.215 Oc1cccc(c1)CSc2ccc(cn2)F 62a_100000744514_100011660834 [0,2,0,0,0,0|2,0,0]=4 14974 B17R2.215 Oc1cccc(c1)CSc2ccc(cn2)F 62a_100011660834_100000744514 [0,2,0,0,0,0|2,0,0]=4 14975 B17R2.215 Oc1cccc(c1)CSc2ccc(nc2)Br 62a_100009814638_100011660834 [0,2,0,0,0,0|2,0,0]=4 14976 B17R2.215 Oc1cccc(c1)CSc2ccc(nc2)Br 62a_100011660834_100009814638 [0,2,0,0,0,0|2,0,0]=4 14977 B17R2.215 Oc1cccc(c1)CSc2ccc(nc2)Cl 62a_100000034144_100011660834 [0,2,0,0,0,0|2,0,0]=4 14978 B17R2.215 Oc1cccc(c1)CSc2ccc(nc2)Cl 62a_100011660834_100000034144 [0,2,0,0,0,0|2,0,0]=4 14979 B17R2.215 Oc1cccc(c1)CSc2ccc(nc2)F 62a_100000042367_100011660834 [0,2,0,0,0,0|2,0,0]=4 14980 B17R2.215 Oc1cccc(c1)CSc2ccc(nc2)F 62a_100011660834_100000042367 [0,2,0,0,0,0|2,0,0]=4 14981 B17R2.215 Oc1cccc(c1)NCc2ccc(cc2)Br 270302a_100000210217_100000186029 [0,2,0,0,0,0|2,0,0]=4 14982 B17R2.215 Oc1cccc(c1)NCc2ccc(cc2)Br 34a_100000210217_100000189115 [0,2,0,0,0,0|2,0,0]=4 14983 B17R2.215 Oc1cccc(c1)NCc2ccc(cc2)Cl 270302a_100000210217_100000189385 [0,2,0,0,0,0|2,0,0]=4 14984 B17R2.215 Oc1cccc(c1)NCc2ccc(cc2)Cl 34a_100000210217_100000694040 [0,2,0,0,0,0|2,0,0]=4 14985 B17R2.215 Oc1cccc(c1)NCc2ccc(cc2)F 270302a_100000210217_100000210084 [0,2,0,0,0,0|2,0,0]=4 14986 B17R2.215 Oc1cccc(c1)NCc2ccc(cc2)F 34a_100000210217_100000198546 [0,2,0,0,0,0|2,0,0]=4 14987 B17R2.215 Oc1cccc(c1)NCc2ccc(cc2)I 270302a_100000210217_100000188517 [0,2,0,0,0,0|2,0,0]=4 14988 B17R2.215 Oc1cccc(c1)NCc2ccc(cc2)I 34a_100000210217_100000189116 [0,2,0,0,0,0|2,0,0]=4 14989 B17R2.215 Oc1cccc(c1)OCc2ccc(cc2)F 271570a_203496583355_200000151844 [0,2,0,0,0,0|1,1,0]=4 14990 B17R2.215 Oc1cccc(c1)SCc2ccc(cc2)Br 62a_100000189115_100000211634 [0,2,0,0,0,0|1,0,0]=3 14991 B17R2.215 Oc1cccc(c1)SCc2ccc(cc2)Cl 62a_100000187161_100000211634 [0,2,0,0,0,0|1,0,0]=3 14992 B17R2.215 Oc1cccc(c1)SCc2ccc(cc2)F 62a_100000198546_100000211634 [0,2,0,0,0,0|1,0,0]=3 14993 B17R2.215 Oc1cccc(c1)SCc2ccc(cc2)I 62a_100000189116_100000211634 [0,2,0,0,0,0|1,0,0]=3 14994 B17R2.215 Oc1cccc(c1)SCc2ccc(cn2)Br 62a_100000702658_100000211634 [0,2,0,0,0,0|2,0,0]=4 14995 B17R2.215 Oc1cccc(c1)SCc2ccc(cn2)Cl 62a_100012066911_100000211634 [0,2,0,0,0,0|2,0,0]=4 14996 B17R2.215 Oc1cccc(c1)SCc2ccc(cn2)F 62a_100000703193_100000211634 [0,2,0,0,0,0|2,0,0]=4 14997 B17R2.215 Oc1cccc(c1)SCc2ccc(nc2)Br 62a_100009831999_100000211634 [0,2,0,0,0,0|2,0,0]=4 14998 B17R2.215 Oc1cccc(c1)SCc2ccc(nc2)Cl 62a_100000735431_100000211634 [0,2,0,0,0,0|2,0,0]=4 14999 B17R2.215 Oc1cccc(c1)SCc2ccc(nc2)F 62a_100009820150_100000211634 [0,2,0,0,0,0|2,0,0]=4 15000 B17R2.215 Oc1ccnc(c1)SCc2ccc(cc2)Br 62a_100000189115_100000762945 [0,2,0,0,0,0|2,0,0]=4 15001 B17R2.215 Oc1ccnc(c1)SCc2ccc(cc2)Cl 62a_100000187161_100000762945 [0,2,0,0,0,0|2,0,0]=4 15002 B17R2.215 Oc1ccnc(c1)SCc2ccc(cc2)F 62a_100000198546_100000762945 [0,2,0,0,0,0|2,0,0]=4 15003 B17R2.215 Oc1ccnc(c1)SCc2ccc(cc2)I 62a_100000189116_100000762945 [0,2,0,0,0,0|2,0,0]=4 15004 B17R2.215 Oc1cncc(c1)SCc2ccc(cc2)Br 62a_100000189115_100000754920 [0,2,0,0,0,0|2,0,0]=4 15005 B17R2.215 Oc1cncc(c1)SCc2ccc(cc2)Br 62a_100000754920_100000189115 [0,2,0,0,0,0|2,0,0]=4 15006 B17R2.215 Oc1cncc(c1)SCc2ccc(cc2)Cl 62a_100000187161_100000754920 [0,2,0,0,0,0|2,0,0]=4 15007 B17R2.215 Oc1cncc(c1)SCc2ccc(cc2)Cl 62a_100000754920_100000187161 [0,2,0,0,0,0|2,0,0]=4 15008 B17R2.215 Oc1cncc(c1)SCc2ccc(cc2)F 62a_100000198546_100000754920 [0,2,0,0,0,0|2,0,0]=4 15009 B17R2.215 Oc1cncc(c1)SCc2ccc(cc2)F 62a_100000754920_100000187164 [0,2,0,0,0,0|2,0,0]=4 15010 B17R2.215 Oc1cncc(c1)SCc2ccc(cc2)I 62a_100000189116_100000754920 [0,2,0,0,0,0|2,0,0]=4 15011 B17R2.215 Oc1cncc(c1)SCc2ccc(cc2)I 62a_100000754920_100000189116 [0,2,0,0,0,0|2,0,0]=4 15012 B17R2.215 [O-][n+]1ccc(cc1)SCc2cccc(c2)Br 62a_100000211773_100000039755 [0,2,0,0,0,0|2,0,0]=4 15013 B17R2.215 [O-][n+]1ccc(cc1)SCc2cccc(c2)Cl 62a_100000187163_100000039755 [0,2,0,0,0,0|2,0,0]=4 15014 B17R2.215 [O-][n+]1ccc(cc1)SCc2cccc(c2)F 62a_100000230114_100000039755 [0,2,0,0,0,0|2,0,0]=4 15015 B17R2.215 [O-][n+]1ccc(cc1)SCc2cccc(c2)I 62a_100011218688_100000039755 [0,2,0,0,0,0|2,0,0]=4 15016 B17R2.215 [O-][n+]1ccc(cc1)SCc2cccc(c2)O 62a_100011660834_100000039755 [0,2,0,0,0,0|2,0,0]=4 15017 B17R2.215 [O-][n+]1cccc(c1)SCc2ccc(cc2)Br 62a_100000189115_100009815978 [0,2,0,0,0,0|2,0,0]=4 15018 B17R2.215 [O-][n+]1cccc(c1)SCc2ccc(cc2)Cl 62a_100000187161_100009815978 [0,2,0,0,0,0|2,0,0]=4 15019 B17R2.215 [O-][n+]1cccc(c1)SCc2ccc(cc2)F 62a_100000198546_100009815978 [0,2,0,0,0,0|2,0,0]=4 15020 B17R2.215 [O-][n+]1cccc(c1)SCc2ccc(cc2)I 62a_100000189116_100009815978 [0,2,0,0,0,0|2,0,0]=4 15021 B17R2.215 [S]c1cccc(c1)C=Cc2ccc(cc2)Br 271570a_100102527914_114929384022 [0,2,0,0,0,0|2,0,0]=4 15022 B17R2.215 [S]c1cccc(c1)C=Cc2ccc(cc2)Cl 271570a_100102527930_114929384022 [0,2,0,0,0,0|2,0,0]=4 15023 B17R2.215 [S]c1cccc(c1)SCc2ccc(cc2)Br 62a_100000189115_114929384022 [0,2,0,0,0,0|1,0,0]=3 15024 B17R2.215 [S]c1cccc(c1)SCc2ccc(cc2)Br 62a_114929384022_100000189115 [0,2,0,0,0,0|1,0,0]=3 15025 B17R2.215 [S]c1cccc(c1)SCc2ccc(cc2)Cl 62a_100000187161_114929384022 [0,2,0,0,0,0|1,0,0]=3 15026 B17R2.215 [S]c1cccc(c1)SCc2ccc(cc2)Cl 62a_114929384022_100000187161 [0,2,0,0,0,0|1,0,0]=3 15027 B17R2.215 [S]c1cccc(c1)SCc2ccc(cc2)I 62a_100000189116_114929384022 [0,2,0,0,0,0|1,0,0]=3 15028 B17R2.215 [S]c1cccc(c1)SCc2ccc(cc2)I 62a_114929384022_100000189116 [0,2,0,0,0,0|1,0,0]=3 15029 B17R2.215 [S]c1cccc(c1)SCc2ccc(cn2)Br 62a_100000702658_114929384022 [0,2,0,0,0,0|2,0,0]=4 15030 B17R2.215 [S]c1cccc(c1)SCc2ccc(cn2)Br 62a_114929384022_100000702658 [0,2,0,0,0,0|2,0,0]=4 15031 B17R2.215 [S]c1cccc(c1)SCc2ccc(cn2)Cl 62a_100012066911_114929384022 [0,2,0,0,0,0|2,0,0]=4 15032 B17R2.215 [S]c1cccc(c1)SCc2ccc(cn2)Cl 62a_114929384022_100000697101 [0,2,0,0,0,0|2,0,0]=4 15033 B17R2.215 [S]c1cccc(c1)SCc2ccc(nc2)Br 62a_100009831999_114929384022 [0,2,0,0,0,0|2,0,0]=4 15034 B17R2.215 [S]c1cccc(c1)SCc2ccc(nc2)Br 62a_114929384022_100009831999 [0,2,0,0,0,0|2,0,0]=4 15035 B17R2.215 [S]c1cccc(c1)SCc2ccc(nc2)Cl 62a_100000735431_114929384022 [0,2,0,0,0,0|2,0,0]=4 15036 B17R2.215 [S]c1cccc(c1)SCc2ccc(nc2)Cl 62a_114929384022_100000735431 [0,2,0,0,0,0|2,0,0]=4 15037 B17R2.1819 BrCc1cccc(c1)OCc2ccccc2 34a_100011660834_100015291786 [0,2,0,0,0,0|1,1,0]=4 15038 B17R2.1819 BrCc1cccc(c1)OCc2ccccc2 7a_100011660834_100000211182 [0,2,0,0,0,0|1,1,0]=4 15039 B17R2.1819 C#Cc1cccc(c1)CNc2ccccc2 207a_100000106764_100011361529 [0,2,0,0,0,0|2,0,0]=4 15040 B17R2.1819 C#Cc1cccc(c1)NCc2ccccc2 207a_100000735509_100015611070 [0,2,0,0,0,0|2,0,0]=4 15041 B17R2.1819 C#Cc1cccc(c1)NCc2ccccc2 2230a_100000735509_100015291786 [0,2,0,0,0,0|2,0,0]=4 15042 B17R2.1819 C#Cc1cccc(c1)NCc2ccccc2 34a_100000735509_100015291786 [0,2,0,0,0,0|2,0,0]=4 15043 B17R2.1819 C#Cc1cccc(c1)OCc2ccccc2 34a_100011216014_100015291786 [0,2,0,0,0,0|1,1,0]=4 15044 B17R2.1819 C#Cc1cccc(c1)OCc2ccccc2 7a_100011216014_100000211182 [0,2,0,0,0,0|1,1,0]=4 15045 B17R2.1819 C=Cc1cc(ccn1)SCc2ccccc2 62a_100000211182_100009845566 [0,2,0,0,0,0|2,0,0]=4 15046 B17R2.1819 C=Cc1cc(ccn1)SCc2ccccc2 62a_100009845566_100015291786 [0,2,0,0,0,0|2,0,0]=4 15047 B17R2.1819 C=Cc1cccc(c1)CNc2ccccc2 270302a_100000106764_100011218069 [0,2,0,0,0,0|2,0,0]=4 15048 B17R2.1819 C=Cc1cccc(c1)COc2ccccc2 271570a_100011290941_100000173242 [0,2,0,0,0,0|1,1,0]=4 15049 B17R2.1819 C=Cc1cccc(c1)NCc2ccccc2 207a_100011827668_100015611070 [0,2,0,0,0,0|2,0,0]=4 15050 B17R2.1819 C=Cc1cccc(c1)NCc2ccccc2 270302a_100011827668_100015611070 [0,2,0,0,0,0|2,0,0]=4 15051 B17R2.1819 C=Cc1cccc(c1)NCc2ccccc2 271570a_100011290941_100000224063 [0,2,0,0,0,0|2,0,0]=4 15052 B17R2.1819 C=Cc1cccc(c1)NCc2ccccc2 34a_100011827668_100015291786 [0,2,0,0,0,0|2,0,0]=4 15053 B17R2.1819 C=Cc1cccc(c1)OCc2ccccc2 271570a_100011290941_100000151840 [0,2,0,0,0,0|1,1,0]=4 15054 B17R2.1819 C=Cc1cccc(c1)OCc2ccccc2 34a_100011309434_100015291786 [0,2,0,0,0,0|1,1,0]=4 15055 B17R2.1819 C=Cc1cccc(c1)OCc2ccccc2 7a_100011309434_100000211182 [0,2,0,0,0,0|1,1,0]=4 15056 B17R2.1819 C=Cc1cccc(c1)SCc2ccccc2 271570a_100011290941_100103287807 [0,2,0,0,0,0|1,0,0]=3 15057 B17R2.1819 C=Cc1cccc(c1)SCc2ccccc2 62a_100000211182_100011215241 [0,2,0,0,0,0|1,0,0]=3 15058 B17R2.1819 C=Cc1cccc(c1)SCc2ccccc2 62a_100011215241_100015291786 [0,2,0,0,0,0|1,0,0]=3 15059 B17R2.1819 C=Cc1cccc(c1)SCc2ccccn2 62a_100000721315_100011215241 [0,2,0,0,0,0|2,0,0]=4 15060 B17R2.1819 C=Cc1cccc(c1)SCc2ccccn2 62a_100011215241_100000721315 [0,2,0,0,0,0|2,0,0]=4 15061 B17R2.1819 C=Cc1cccc(c1)SCc2cccnc2 62a_100000741622_100011215241 [0,2,0,0,0,0|2,0,0]=4 15062 B17R2.1819 C=Cc1cccc(c1)SCc2cccnc2 62a_100011215241_100000741622 [0,2,0,0,0,0|2,0,0]=4 15063 B17R2.1819 C=Cc1cccc(c1)SCc2ccncc2 62a_100011215241_100015193705 [0,2,0,0,0,0|2,0,0]=4 15064 B17R2.1819 C=Cc1cccc(c1)SCc2ccncc2 62a_100015193705_100011215241 [0,2,0,0,0,0|2,0,0]=4 15065 B17R2.1819 C=Cc1ccnc(c1)SCc2ccccc2 271570a_100011290941_100042452854 [0,2,0,0,0,0|2,0,0]=4 15066 B17R2.1819 C=Cc1cncc(c1)SCc2ccccc2 62a_100000211182_200012180632 [0,2,0,0,0,0|2,0,0]=4 15067 B17R2.1819 C=Cc1cncc(c1)SCc2ccccc2 62a_200012180632_100015291786 [0,2,0,0,0,0|2,0,0]=4 15068 B17R2.1819 CCc1cc(ccn1)SCc2ccccc2 62a_100000211182_100009820011 [0,2,0,0,0,0|2,0,0]=4 15069 B17R2.1819 CCc1cc(ccn1)SCc2ccccc2 62a_100009820011_100015291786 [0,2,0,0,0,0|2,0,0]=4 15070 B17R2.1819 CCc1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100000684523 [0,2,0,0,0,0|2,0,0]=4 15071 B17R2.1819 CCc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000684523 [0,2,0,0,0,0|2,0,0]=4 15072 B17R2.1819 CCc1cccc(c1)CNc2ccccc2 207a_100000106764_100011999841 [0,2,0,0,0,0|2,0,0]=4 15073 B17R2.1819 CCc1cccc(c1)CNc2ccccc2 270302a_100000106764_100011999841 [0,2,0,0,0,0|2,0,0]=4 15074 B17R2.1819 CCc1cccc(c1)NCc2ccccc2 207a_100000211250_100015611070 [0,2,0,0,0,0|2,0,0]=4 15075 B17R2.1819 CCc1cccc(c1)NCc2ccccc2 2230a_100000211250_100015291786 [0,2,0,0,0,0|2,0,0]=4 15076 B17R2.1819 CCc1cccc(c1)NCc2ccccc2 270302a_100000211250_100015611070 [0,2,0,0,0,0|2,0,0]=4 15077 B17R2.1819 CCc1cccc(c1)NCc2ccccc2 34a_100000211250_100015291786 [0,2,0,0,0,0|2,0,0]=4 15078 B17R2.1819 CCc1cccc(c1)NCc2ccccc2 7a_100000211250_100000211182 [0,2,0,0,0,0|2,0,0]=4 15079 B17R2.1819 CCc1cccc(c1)OCc2ccccc2 34a_100000211550_100015291786 [0,2,0,0,0,0|1,1,0]=4 15080 B17R2.1819 CCc1cccc(c1)OCc2ccccc2 7a_100000211550_100000211182 [0,2,0,0,0,0|1,1,0]=4 15081 B17R2.1819 CCc1cccc(c1)SCc2ccccc2 62a_100000211182_100011263222 [0,2,0,0,0,0|1,0,0]=3 15082 B17R2.1819 CCc1cccc(c1)SCc2ccccc2 62a_100011263222_100015291786 [0,2,0,0,0,0|1,0,0]=3 15083 B17R2.1819 CCc1cccc(c1)SCc2ccccn2 62a_100000721315_100011263222 [0,2,0,0,0,0|2,0,0]=4 15084 B17R2.1819 CCc1cccc(c1)SCc2ccccn2 62a_100011263222_100000721315 [0,2,0,0,0,0|2,0,0]=4 15085 B17R2.1819 CCc1cccc(c1)SCc2cccnc2 62a_100000741622_100011263222 [0,2,0,0,0,0|2,0,0]=4 15086 B17R2.1819 CCc1cccc(c1)SCc2cccnc2 62a_100011263222_100000741622 [0,2,0,0,0,0|2,0,0]=4 15087 B17R2.1819 CCc1cccc(c1)SCc2ccncc2 62a_100011263222_100015193705 [0,2,0,0,0,0|2,0,0]=4 15088 B17R2.1819 CCc1cccc(c1)SCc2ccncc2 62a_100015193705_100011263222 [0,2,0,0,0,0|2,0,0]=4 15089 B17R2.1819 CCc1cccc(n1)SCc2ccccc2 62a_100000211182_100009856026 [0,2,0,0,0,0|2,0,0]=4 15090 B17R2.1819 CCc1cccc(n1)SCc2ccccc2 62a_100009856026_100015291786 [0,2,0,0,0,0|2,0,0]=4 15091 B17R2.1819 CCc1ccnc(c1)SCc2ccccc2 62a_100000211182_100009817561 [0,2,0,0,0,0|2,0,0]=4 15092 B17R2.1819 CCc1ccnc(c1)SCc2ccccc2 62a_100009817561_100015291786 [0,2,0,0,0,0|2,0,0]=4 15093 B17R2.1819 CCc1cncc(c1)SCc2ccccc2 62a_100000211182_200009819073 [0,2,0,0,0,0|2,0,0]=4 15094 B17R2.1819 CCc1cncc(c1)SCc2ccccc2 62a_200009819073_100015291786 [0,2,0,0,0,0|2,0,0]=4 15095 B17R2.1819 CNc1cc(ccn1)SCc2ccccc2 62a_100000211182_100009819592 [0,2,0,0,0,0|2,0,0]=4 15096 B17R2.1819 CNc1cc(ccn1)SCc2ccccc2 62a_100009819592_100015291786 [0,2,0,0,0,0|2,0,0]=4 15097 B17R2.1819 CNc1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100000219648 [0,2,0,0,0,0|2,0,0]=4 15098 B17R2.1819 CNc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000219648 [0,2,0,0,0,0|2,0,0]=4 15099 B17R2.1819 CNc1cccc(c1)COc2ccccc2 2230a_100000743254_200000210301 [0,2,0,0,0,0|1,1,0]=4 15100 B17R2.1819 CNc1cccc(c1)COc2ccccc2 34a_100000743254_200000210301 [0,2,0,0,0,0|1,1,0]=4 15101 B17R2.1819 CNc1cccc(c1)COc2ccccc2 7a_100000743254_200000210301 [0,2,0,0,0,0|1,1,0]=4 15102 B17R2.1819 CNc1cccc(c1)OCc2ccccc2 2230a_100000744109_200000210301 [0,2,0,0,0,0|1,1,0]=4 15103 B17R2.1819 CNc1cccc(c1)OCc2ccccc2 34a_100000744109_200000210301 [0,2,0,0,0,0|1,1,0]=4 15104 B17R2.1819 CNc1cccc(c1)OCc2ccccc2 34a_100000756613_100015291786 [0,2,0,0,0,0|1,1,0]=4 15105 B17R2.1819 CNc1cccc(c1)OCc2ccccc2 7a_100000744109_200000210301 [0,2,0,0,0,0|1,1,0]=4 15106 B17R2.1819 CNc1cccc(c1)OCc2ccccc2 7a_100000756613_100000211182 [0,2,0,0,0,0|1,1,0]=4 15107 B17R2.1819 CNc1cccc(c1)SCc2ccccc2 62a_100000211182_100000219648 [0,2,0,0,0,0|1,0,0]=3 15108 B17R2.1819 CNc1cccc(c1)SCc2ccccc2 62a_100000219648_100015291786 [0,2,0,0,0,0|1,0,0]=3 15109 B17R2.1819 CNc1cccc(c1)SCc2ccccn2 62a_100000219648_100000721315 [0,2,0,0,0,0|2,0,0]=4 15110 B17R2.1819 CNc1cccc(c1)SCc2ccccn2 62a_100000721315_100000219648 [0,2,0,0,0,0|2,0,0]=4 15111 B17R2.1819 CNc1cccc(c1)SCc2cccnc2 62a_100000219648_100000741622 [0,2,0,0,0,0|2,0,0]=4 15112 B17R2.1819 CNc1cccc(c1)SCc2cccnc2 62a_100000741622_100000219648 [0,2,0,0,0,0|2,0,0]=4 15113 B17R2.1819 CNc1cccc(c1)SCc2ccncc2 62a_100000219648_100015193705 [0,2,0,0,0,0|2,0,0]=4 15114 B17R2.1819 CNc1cccc(c1)SCc2ccncc2 62a_100015193705_100000219648 [0,2,0,0,0,0|2,0,0]=4 15115 B17R2.1819 CNc1cccc(n1)SCc2ccccc2 62a_100000211182_100000703281 [0,2,0,0,0,0|2,0,0]=4 15116 B17R2.1819 CNc1cccc(n1)SCc2ccccc2 62a_100000703281_100015291786 [0,2,0,0,0,0|2,0,0]=4 15117 B17R2.1819 CNc1ccnc(c1)SCc2ccccc2 27a_100102657272_100042452854 [0,2,0,0,0,0|2,0,0]=4 15118 B17R2.1819 CNc1ccnc(c1)SCc2ccccc2 62a_100000211182_100009869472 [0,2,0,0,0,0|2,0,0]=4 15119 B17R2.1819 CNc1ccnc(c1)SCc2ccccc2 62a_100009869472_100015291786 [0,2,0,0,0,0|2,0,0]=4 15120 B17R2.1819 CNc1cncc(c1)SCc2ccccc2 62a_100000211182_100012184536 [0,2,0,0,0,0|2,0,0]=4 15121 B17R2.1819 CNc1cncc(c1)SCc2ccccc2 62a_100012184536_100015291786 [0,2,0,0,0,0|2,0,0]=4 15122 B17R2.1819 COc1cc(ccn1)CSc2ccccc2 62a_100000719477_100103152439 [0,2,0,0,0,0|2,0,0]=4 15123 B17R2.1819 COc1cc(ccn1)CSc2ccccc2 62a_100103152439_100000041952 [0,2,0,0,0,0|2,0,0]=4 15124 B17R2.1819 COc1cc(ccn1)SCc2ccccc2 62a_100000117307_100015291786 [0,2,0,0,0,0|2,0,0]=4 15125 B17R2.1819 COc1cc(ccn1)SCc2ccccc2 62a_100000211182_100000117307 [0,2,0,0,0,0|2,0,0]=4 15126 B17R2.1819 COc1cccc(c1)/C=C/c2ccccc2 34a_200020597538_200000210301 [0,2,0,0,0,0|2,0,0]=4 15127 B17R2.1819 COc1cccc(c1)/C=C/c2ccccc2 7a_200020597538_200000210301 [0,2,0,0,0,0|2,0,0]=4 15128 B17R2.1819 COc1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100000170001 [0,2,0,0,0,0|2,0,0]=4 15129 B17R2.1819 COc1cccc(c1)C=Cc2ccccc2 271570a_100010186523_100000210277 [0,2,0,0,0,0|2,0,0]=4 15130 B17R2.1819 COc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000170001 [0,2,0,0,0,0|2,0,0]=4 15131 B17R2.1819 COc1cccc(c1)CCc2ccccc2 34a_100000090727_200000210301 [0,2,0,0,0,0|2,0,0]=4 15132 B17R2.1819 COc1cccc(c1)CCc2ccccc2 7a_100000090727_200000210301 [0,2,0,0,0,0|2,0,0]=4 15133 B17R2.1819 COc1cccc(c1)CNc2ccccc2 207a_100000106764_100000170238 [0,2,0,0,0,0|2,0,0]=4 15134 B17R2.1819 COc1cccc(c1)CNc2ccccc2 270302a_100000106764_100000170238 [0,2,0,0,0,0|2,0,0]=4 15135 B17R2.1819 COc1cccc(c1)CNc2ccccc2 34a_100000106764_100000688526 [0,2,0,0,0,0|2,0,0]=4 15136 B17R2.1819 COc1cccc(c1)COc2ccccc2 34a_100000210340_100000688526 [0,2,0,0,0,0|1,1,0]=4 15137 B17R2.1819 COc1cccc(c1)COc2ccccc2 7a_100000210340_100000211672 [0,2,0,0,0,0|1,1,0]=4 15138 B17R2.1819 COc1cccc(c1)CSc2ccccc2 62a_100000688526_100000041952 [0,2,0,0,0,0|1,0,0]=3 15139 B17R2.1819 COc1cccc(c1)CSc2ccccc2 62a_100000719477_100000211672 [0,2,0,0,0,0|1,0,0]=3 15140 B17R2.1819 COc1cccc(c1)CSc2ccccn2 62a_100000688526_100011216584 [0,2,0,0,0,0|2,0,0]=4 15141 B17R2.1819 COc1cccc(c1)CSc2ccccn2 62a_100011216584_100000211672 [0,2,0,0,0,0|2,0,0]=4 15142 B17R2.1819 COc1cccc(c1)CSc2cccnc2 62a_100000210063_100000211672 [0,2,0,0,0,0|2,0,0]=4 15143 B17R2.1819 COc1cccc(c1)CSc2cccnc2 62a_100000688526_100000210063 [0,2,0,0,0,0|2,0,0]=4 15144 B17R2.1819 COc1cccc(c1)CSc2ccncc2 62a_100000688526_100000728582 [0,2,0,0,0,0|2,0,0]=4 15145 B17R2.1819 COc1cccc(c1)CSc2ccncc2 62a_100000728582_100000211672 [0,2,0,0,0,0|2,0,0]=4 15146 B17R2.1819 COc1cccc(c1)NCc2ccccc2 207a_100000210024_100015611070 [0,2,0,0,0,0|2,0,0]=4 15147 B17R2.1819 COc1cccc(c1)NCc2ccccc2 270302a_100000210024_100015611070 [0,2,0,0,0,0|2,0,0]=4 15148 B17R2.1819 COc1cccc(c1)NCc2ccccc2 34a_100000210024_100015291786 [0,2,0,0,0,0|2,0,0]=4 15149 B17R2.1819 COc1cccc(c1)OCc2ccccc2 34a_100000211255_100015291786 [0,2,0,0,0,0|1,1,0]=4 15150 B17R2.1819 COc1cccc(c1)OCc2ccccc2 34a_100011215993_200000210301 [0,2,0,0,0,0|1,1,0]=4 15151 B17R2.1819 COc1cccc(c1)OCc2ccccc2 7a_100000211255_100000211182 [0,2,0,0,0,0|1,1,0]=4 15152 B17R2.1819 COc1cccc(c1)OCc2ccccc2 7a_100011215993_200000210301 [0,2,0,0,0,0|1,1,0]=4 15153 B17R2.1819 COc1cccc(c1)SCc2ccccc2 62a_100000211182_100000170001 [0,2,0,0,0,0|1,0,0]=3 15154 B17R2.1819 COc1cccc(c1)SCc2ccccn2 62a_100000721315_100000170001 [0,2,0,0,0,0|2,0,0]=4 15155 B17R2.1819 COc1cccc(c1)SCc2cccnc2 62a_100000741622_100000170001 [0,2,0,0,0,0|2,0,0]=4 15156 B17R2.1819 COc1cccc(c1)SCc2ccncc2 62a_100015193705_100000170001 [0,2,0,0,0,0|2,0,0]=4 15157 B17R2.1819 COc1cccc(n1)CSc2ccccc2 62a_100000719477_100000755263 [0,2,0,0,0,0|2,0,0]=4 15158 B17R2.1819 COc1cccc(n1)CSc2ccccc2 62a_100000755263_100000041952 [0,2,0,0,0,0|2,0,0]=4 15159 B17R2.1819 COc1cccc(n1)SCc2ccccc2 62a_100000211182_100000760917 [0,2,0,0,0,0|2,0,0]=4 15160 B17R2.1819 COc1cccc(n1)SCc2ccccc2 62a_100000760917_100015291786 [0,2,0,0,0,0|2,0,0]=4 15161 B17R2.1819 COc1ccnc(c1)CSc2ccccc2 62a_100000719477_100000752681 [0,2,0,0,0,0|2,0,0]=4 15162 B17R2.1819 COc1ccnc(c1)CSc2ccccc2 62a_100000752681_100000041952 [0,2,0,0,0,0|2,0,0]=4 15163 B17R2.1819 COc1ccnc(c1)SCc2ccccc2 62a_100000211182_100011216251 [0,2,0,0,0,0|2,0,0]=4 15164 B17R2.1819 COc1ccnc(c1)SCc2ccccc2 62a_100009817693_100015291786 [0,2,0,0,0,0|2,0,0]=4 15165 B17R2.1819 COc1cncc(c1)SCc2ccccc2 62a_100000050176_100015291786 [0,2,0,0,0,0|2,0,0]=4 15166 B17R2.1819 COc1cncc(c1)SCc2ccccc2 62a_100000211182_100000050176 [0,2,0,0,0,0|2,0,0]=4 15167 B17R2.1819 CSc1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100011215954 [0,2,0,0,0,0|2,0,0]=4 15168 B17R2.1819 CSc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100011215954 [0,2,0,0,0,0|2,0,0]=4 15169 B17R2.1819 CSc1cccc(c1)CNc2ccccc2 207a_100000106764_100011935093 [0,2,0,0,0,0|2,0,0]=4 15170 B17R2.1819 CSc1cccc(c1)COc2ccccc2 62a_100000173242_200000210301 [0,2,0,0,0,0|1,1,0]=4 15171 B17R2.1819 CSc1cccc(c1)COc2ccccc2 62a_200000210301_100000173242 [0,2,0,0,0,0|1,1,0]=4 15172 B17R2.1819 CSc1cccc(c1)NCc2ccccc2 207a_100000210049_100015611070 [0,2,0,0,0,0|2,0,0]=4 15173 B17R2.1819 CSc1cccc(c1)NCc2ccccc2 2230a_100000210049_100015291786 [0,2,0,0,0,0|2,0,0]=4 15174 B17R2.1819 CSc1cccc(c1)NCc2ccccc2 270302a_100000210049_100015611070 [0,2,0,0,0,0|2,0,0]=4 15175 B17R2.1819 CSc1cccc(c1)NCc2ccccc2 34a_100000210049_100015291786 [0,2,0,0,0,0|2,0,0]=4 15176 B17R2.1819 CSc1cccc(c1)NCc2ccccc2 62a_100000224063_200000210301 [0,2,0,0,0,0|2,0,0]=4 15177 B17R2.1819 CSc1cccc(c1)NCc2ccccc2 62a_200000210301_100000224063 [0,2,0,0,0,0|2,0,0]=4 15178 B17R2.1819 CSc1cccc(c1)OCc2ccccc2 34a_100011265683_100015291786 [0,2,0,0,0,0|1,1,0]=4 15179 B17R2.1819 CSc1cccc(c1)OCc2ccccc2 62a_100000151840_200000210301 [0,2,0,0,0,0|1,1,0]=4 15180 B17R2.1819 CSc1cccc(c1)OCc2ccccc2 62a_200000210301_100000151840 [0,2,0,0,0,0|1,1,0]=4 15181 B17R2.1819 CSc1cccc(c1)OCc2ccccc2 7a_100011265683_100000211182 [0,2,0,0,0,0|1,1,0]=4 15182 B17R2.1819 CSc1cccc(c1)SCc2ccccc2 62a_100000211182_100011215954 [0,2,0,0,0,0|1,0,0]=3 15183 B17R2.1819 CSc1cccc(c1)SCc2ccccc2 62a_100011215954_100015291786 [0,2,0,0,0,0|1,0,0]=3 15184 B17R2.1819 CSc1cccc(c1)SCc2ccccc2 62a_100103287807_200000210301 [0,2,0,0,0,0|1,0,0]=3 15185 B17R2.1819 CSc1cccc(c1)SCc2ccccc2 62a_200000210301_100103287807 [0,2,0,0,0,0|1,0,0]=3 15186 B17R2.1819 CSc1cccc(c1)SCc2ccccn2 62a_100000721315_100011215954 [0,2,0,0,0,0|2,0,0]=4 15187 B17R2.1819 CSc1cccc(c1)SCc2ccccn2 62a_100011215954_100000721315 [0,2,0,0,0,0|2,0,0]=4 15188 B17R2.1819 CSc1cccc(c1)SCc2cccnc2 62a_100000741622_100011215954 [0,2,0,0,0,0|2,0,0]=4 15189 B17R2.1819 CSc1cccc(c1)SCc2cccnc2 62a_100011215954_100000741622 [0,2,0,0,0,0|2,0,0]=4 15190 B17R2.1819 CSc1cccc(c1)SCc2ccncc2 62a_100011215954_100015193705 [0,2,0,0,0,0|2,0,0]=4 15191 B17R2.1819 CSc1cccc(c1)SCc2ccncc2 62a_100015193705_100011215954 [0,2,0,0,0,0|2,0,0]=4 15192 B17R2.1819 CSc1cccc(n1)SCc2ccccc2 62a_100000211182_100011960944 [0,2,0,0,0,0|2,0,0]=4 15193 B17R2.1819 CSc1cccc(n1)SCc2ccccc2 62a_100011960944_100015291786 [0,2,0,0,0,0|2,0,0]=4 15194 B17R2.1819 CSc1ccnc(c1)SCc2ccccc2 62a_100000211182_100010883326 [0,2,0,0,0,0|2,0,0]=4 15195 B17R2.1819 CSc1ccnc(c1)SCc2ccccc2 62a_100010883326_100015291786 [0,2,0,0,0,0|2,0,0]=4 15196 B17R2.1819 CSc1ccnc(c1)SCc2ccccc2 62a_100042452854_200000210301 [0,2,0,0,0,0|2,0,0]=4 15197 B17R2.1819 CSc1ccnc(c1)SCc2ccccc2 62a_200000210301_100042452854 [0,2,0,0,0,0|2,0,0]=4 15198 B17R2.1819 CSc1cncc(c1)SCc2ccccc2 62a_100000211182_100009816972 [0,2,0,0,0,0|2,0,0]=4 15199 B17R2.1819 CSc1cncc(c1)SCc2ccccc2 62a_100009816972_100015291786 [0,2,0,0,0,0|2,0,0]=4 15200 B17R2.1819 ClCc1cccc(c1)OCc2ccccc2 34a_100000084143_100015291786 [0,2,0,0,0,0|1,1,0]=4 15201 B17R2.1819 ClCc1cccc(c1)OCc2ccccc2 7a_100000084143_100000211182 [0,2,0,0,0,0|1,1,0]=4 15202 B17R2.1819 FCc1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100010878472 [0,2,0,0,0,0|2,0,0]=4 15203 B17R2.1819 FCc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100010878472 [0,2,0,0,0,0|2,0,0]=4 15204 B17R2.1819 FCc1cccc(c1)NCc2ccccc2 207a_100000126320_100015611070 [0,2,0,0,0,0|2,0,0]=4 15205 B17R2.1819 FCc1cccc(c1)NCc2ccccc2 2230a_100000126320_100015291786 [0,2,0,0,0,0|2,0,0]=4 15206 B17R2.1819 FCc1cccc(c1)NCc2ccccc2 270302a_100000126320_100015611070 [0,2,0,0,0,0|2,0,0]=4 15207 B17R2.1819 FCc1cccc(c1)NCc2ccccc2 34a_100000126320_100015291786 [0,2,0,0,0,0|2,0,0]=4 15208 B17R2.1819 FCc1cccc(c1)NCc2ccccc2 7a_100000126320_100000211182 [0,2,0,0,0,0|2,0,0]=4 15209 B17R2.1819 FCc1cccc(c1)SCc2ccccc2 62a_100000211182_100010878472 [0,2,0,0,0,0|1,0,0]=3 15210 B17R2.1819 FCc1cccc(c1)SCc2ccccc2 62a_100010878472_100015291786 [0,2,0,0,0,0|1,0,0]=3 15211 B17R2.1819 FCc1cccc(c1)SCc2ccccn2 62a_100000721315_100010878472 [0,2,0,0,0,0|2,0,0]=4 15212 B17R2.1819 FCc1cccc(c1)SCc2ccccn2 62a_100010878472_100000721315 [0,2,0,0,0,0|2,0,0]=4 15213 B17R2.1819 FCc1cccc(c1)SCc2cccnc2 62a_100000741622_100010878472 [0,2,0,0,0,0|2,0,0]=4 15214 B17R2.1819 FCc1cccc(c1)SCc2cccnc2 62a_100010878472_100000741622 [0,2,0,0,0,0|2,0,0]=4 15215 B17R2.1819 FCc1cccc(c1)SCc2ccncc2 62a_100010878472_100015193705 [0,2,0,0,0,0|2,0,0]=4 15216 B17R2.1819 FCc1cccc(c1)SCc2ccncc2 62a_100015193705_100010878472 [0,2,0,0,0,0|2,0,0]=4 15217 B17R2.1819 N#Cc1cc(ccn1)SCc2ccccc2 62a_100000211182_100000685610 [0,2,0,0,0,0|2,0,0]=4 15218 B17R2.1819 N#Cc1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100000189340 [0,2,0,0,0,0|2,0,0]=4 15219 B17R2.1819 N#Cc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000189340 [0,2,0,0,0,0|2,0,0]=4 15220 B17R2.1819 N#Cc1cccc(c1)CNc2ccccc2 207a_100000106764_100000241001 [0,2,0,0,0,0|2,0,0]=4 15221 B17R2.1819 N#Cc1cccc(c1)CNc2ccccc2 270302a_100000106764_100000241001 [0,2,0,0,0,0|2,0,0]=4 15222 B17R2.1819 N#Cc1cccc(c1)CNc2ccccc2 34a_100000106764_100000233786 [0,2,0,0,0,0|2,0,0]=4 15223 B17R2.1819 N#Cc1cccc(c1)COc2ccccc2 34a_100000210340_100000233786 [0,2,0,0,0,0|1,1,0]=4 15224 B17R2.1819 N#Cc1cccc(c1)COc2ccccc2 7a_100000210340_100000233786 [0,2,0,0,0,0|1,1,0]=4 15225 B17R2.1819 N#Cc1cccc(c1)CSc2ccccc2 62a_100000719477_100000233786 [0,2,0,0,0,0|1,0,0]=3 15226 B17R2.1819 N#Cc1cccc(c1)CSc2ccccn2 62a_100011216584_100000233786 [0,2,0,0,0,0|2,0,0]=4 15227 B17R2.1819 N#Cc1cccc(c1)CSc2cccnc2 62a_100000210063_100000233786 [0,2,0,0,0,0|2,0,0]=4 15228 B17R2.1819 N#Cc1cccc(c1)CSc2ccncc2 62a_100000728582_100000233786 [0,2,0,0,0,0|2,0,0]=4 15229 B17R2.1819 N#Cc1cccc(c1)NCc2ccccc2 207a_100000210922_100015611070 [0,2,0,0,0,0|2,0,0]=4 15230 B17R2.1819 N#Cc1cccc(c1)NCc2ccccc2 270302a_100000210922_100015611070 [0,2,0,0,0,0|2,0,0]=4 15231 B17R2.1819 N#Cc1cccc(c1)NCc2ccccc2 34a_100000210922_100015291786 [0,2,0,0,0,0|2,0,0]=4 15232 B17R2.1819 N#Cc1cccc(c1)NCc2ccccc2 7a_100000210922_100000211182 [0,2,0,0,0,0|2,0,0]=4 15233 B17R2.1819 N#Cc1cccc(c1)OCc2ccccc2 34a_100000184713_100015291786 [0,2,0,0,0,0|1,1,0]=4 15234 B17R2.1819 N#Cc1cccc(c1)OCc2ccccc2 7a_100000184713_100000211182 [0,2,0,0,0,0|1,1,0]=4 15235 B17R2.1819 N#Cc1cccc(c1)SCc2ccccc2 62a_100000211182_100000189340 [0,2,0,0,0,0|1,0,0]=3 15236 B17R2.1819 N#Cc1cccc(c1)SCc2ccccn2 62a_100000721315_100000189340 [0,2,0,0,0,0|2,0,0]=4 15237 B17R2.1819 N#Cc1cccc(c1)SCc2cccnc2 62a_100000741622_100000189340 [0,2,0,0,0,0|2,0,0]=4 15238 B17R2.1819 N#Cc1cccc(c1)SCc2ccncc2 62a_100015193705_100000189340 [0,2,0,0,0,0|2,0,0]=4 15239 B17R2.1819 N#Cc1cccc(n1)CSc2ccccc2 62a_100000719477_100000097530 [0,2,0,0,0,0|2,0,0]=4 15240 B17R2.1819 N#Cc1cccc(n1)SCc2ccccc2 62a_100000211182_100011934037 [0,2,0,0,0,0|2,0,0]=4 15241 B17R2.1819 N#Cc1ccnc(c1)SCc2ccccc2 62a_100000211182_100011291639 [0,2,0,0,0,0|2,0,0]=4 15242 B17R2.1819 N#Cc1cncc(c1)CSc2ccccc2 62a_100000719477_200020634941 [0,2,0,0,0,0|2,0,0]=4 15243 B17R2.1819 N#Cc1cncc(c1)SCc2ccccc2 62a_100000211182_100000686085 [0,2,0,0,0,0|2,0,0]=4 15244 B17R2.1819 NCc1cc(ccn1)SCc2ccccc2 62a_100000085674_100015291786 [0,2,0,0,0,0|2,0,0]=4 15245 B17R2.1819 NCc1cc(ccn1)SCc2ccccc2 62a_100000211182_100000085674 [0,2,0,0,0,0|2,0,0]=4 15246 B17R2.1819 NCc1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100000106179 [0,2,0,0,0,0|2,0,0]=4 15247 B17R2.1819 NCc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000106179 [0,2,0,0,0,0|2,0,0]=4 15248 B17R2.1819 NCc1cccc(c1)OCc2ccccc2 34a_100000743036_100015291786 [0,2,0,0,0,0|1,1,0]=4 15249 B17R2.1819 NCc1cccc(c1)SCc2ccccc2 62a_100000106179_100015291786 [0,2,0,0,0,0|1,0,0]=3 15250 B17R2.1819 NCc1cccc(c1)SCc2ccccc2 62a_100000211182_100000106179 [0,2,0,0,0,0|1,0,0]=3 15251 B17R2.1819 NCc1cccc(c1)SCc2ccccn2 62a_100000106179_100000721315 [0,2,0,0,0,0|2,0,0]=4 15252 B17R2.1819 NCc1cccc(c1)SCc2ccccn2 62a_100000721315_100000106179 [0,2,0,0,0,0|2,0,0]=4 15253 B17R2.1819 NCc1cccc(c1)SCc2cccnc2 62a_100000106179_100000741622 [0,2,0,0,0,0|2,0,0]=4 15254 B17R2.1819 NCc1cccc(c1)SCc2cccnc2 62a_100000741622_100000106179 [0,2,0,0,0,0|2,0,0]=4 15255 B17R2.1819 NCc1cccc(c1)SCc2ccncc2 62a_100000106179_100015193705 [0,2,0,0,0,0|2,0,0]=4 15256 B17R2.1819 NCc1cccc(c1)SCc2ccncc2 62a_100015193705_100000106179 [0,2,0,0,0,0|2,0,0]=4 15257 B17R2.1819 NCc1cccc(n1)SCc2ccccc2 62a_100000211182_100016990191 [0,2,0,0,0,0|2,0,0]=4 15258 B17R2.1819 NCc1cccc(n1)SCc2ccccc2 62a_100016990191_100015291786 [0,2,0,0,0,0|2,0,0]=4 15259 B17R2.1819 NCc1ccnc(c1)SCc2ccccc2 62a_100000211182_100025757509 [0,2,0,0,0,0|2,0,0]=4 15260 B17R2.1819 NCc1ccnc(c1)SCc2ccccc2 62a_100025757509_100015291786 [0,2,0,0,0,0|2,0,0]=4 15261 B17R2.1819 NCc1cncc(c1)SCc2ccccc2 62a_100000211182_100011249555 [0,2,0,0,0,0|2,0,0]=4 15262 B17R2.1819 NCc1cncc(c1)SCc2ccccc2 62a_100011249555_100015291786 [0,2,0,0,0,0|2,0,0]=4 15263 B17R2.1819 NNc1cc(ccn1)SCc2ccccc2 62a_100000211182_100000764631 [0,2,0,0,0,0|2,0,0]=4 15264 B17R2.1819 NNc1cc(ccn1)SCc2ccccc2 62a_100000764631_100015291786 [0,2,0,0,0,0|2,0,0]=4 15265 B17R2.1819 NNc1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100000217339 [0,2,0,0,0,0|2,0,0]=4 15266 B17R2.1819 NNc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000217339 [0,2,0,0,0,0|2,0,0]=4 15267 B17R2.1819 NNc1cccc(c1)SCc2ccccc2 62a_100000211182_100000217339 [0,2,0,0,0,0|1,0,0]=3 15268 B17R2.1819 NNc1cccc(c1)SCc2ccccc2 62a_100000217339_100015291786 [0,2,0,0,0,0|1,0,0]=3 15269 B17R2.1819 NNc1cccc(c1)SCc2ccccn2 62a_100000217339_100000721315 [0,2,0,0,0,0|2,0,0]=4 15270 B17R2.1819 NNc1cccc(c1)SCc2ccccn2 62a_100000721315_100000217339 [0,2,0,0,0,0|2,0,0]=4 15271 B17R2.1819 NNc1cccc(c1)SCc2cccnc2 62a_100000217339_100000741622 [0,2,0,0,0,0|2,0,0]=4 15272 B17R2.1819 NNc1cccc(c1)SCc2cccnc2 62a_100000741622_100000217339 [0,2,0,0,0,0|2,0,0]=4 15273 B17R2.1819 NNc1cccc(c1)SCc2ccncc2 62a_100000217339_100015193705 [0,2,0,0,0,0|2,0,0]=4 15274 B17R2.1819 NNc1cccc(c1)SCc2ccncc2 62a_100015193705_100000217339 [0,2,0,0,0,0|2,0,0]=4 15275 B17R2.1819 NNc1cccc(n1)SCc2ccccc2 62a_100000211182_100009817029 [0,2,0,0,0,0|2,0,0]=4 15276 B17R2.1819 NNc1cccc(n1)SCc2ccccc2 62a_100009817029_100015291786 [0,2,0,0,0,0|2,0,0]=4 15277 B17R2.1819 NNc1ccnc(c1)SCc2ccccc2 62a_100000089018_100015291786 [0,2,0,0,0,0|2,0,0]=4 15278 B17R2.1819 NNc1ccnc(c1)SCc2ccccc2 62a_100000211182_100000089018 [0,2,0,0,0,0|2,0,0]=4 15279 B17R2.1819 NNc1cncc(c1)SCc2ccccc2 62a_100000211182_100000727789 [0,2,0,0,0,0|2,0,0]=4 15280 B17R2.1819 NNc1cncc(c1)SCc2ccccc2 62a_100000727789_100015291786 [0,2,0,0,0,0|2,0,0]=4 15281 B17R2.1819 O=Cc1cc(ccn1)SCc2ccccc2 62a_100000211182_100011998288 [0,2,0,0,0,0|2,0,0]=4 15282 B17R2.1819 O=Cc1cc(ccn1)SCc2ccccc2 62a_100011998288_100015291786 [0,2,0,0,0,0|2,0,0]=4 15283 B17R2.1819 O=Cc1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100000014684 [0,2,0,0,0,0|2,0,0]=4 15284 B17R2.1819 O=Cc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000014684 [0,2,0,0,0,0|2,0,0]=4 15285 B17R2.1819 O=Cc1cccc(c1)CNc2ccccc2 34a_100000106764_100009816774 [0,2,0,0,0,0|2,0,0]=4 15286 B17R2.1819 O=Cc1cccc(c1)COc2ccccc2 34a_100000210340_100009816774 [0,2,0,0,0,0|1,1,0]=4 15287 B17R2.1819 O=Cc1cccc(c1)COc2ccccc2 7a_100000210340_100009816774 [0,2,0,0,0,0|1,1,0]=4 15288 B17R2.1819 O=Cc1cccc(c1)CSc2ccccc2 62a_100000719477_100009816774 [0,2,0,0,0,0|1,0,0]=3 15289 B17R2.1819 O=Cc1cccc(c1)CSc2ccccc2 62a_100009816774_100000041952 [0,2,0,0,0,0|1,0,0]=3 15290 B17R2.1819 O=Cc1cccc(c1)CSc2ccccn2 62a_100009816774_100011216584 [0,2,0,0,0,0|2,0,0]=4 15291 B17R2.1819 O=Cc1cccc(c1)CSc2ccccn2 62a_100011216584_100009816774 [0,2,0,0,0,0|2,0,0]=4 15292 B17R2.1819 O=Cc1cccc(c1)CSc2cccnc2 62a_100000210063_100009816774 [0,2,0,0,0,0|2,0,0]=4 15293 B17R2.1819 O=Cc1cccc(c1)CSc2cccnc2 62a_100009816774_100000210063 [0,2,0,0,0,0|2,0,0]=4 15294 B17R2.1819 O=Cc1cccc(c1)CSc2ccncc2 62a_100000728582_100009816774 [0,2,0,0,0,0|2,0,0]=4 15295 B17R2.1819 O=Cc1cccc(c1)CSc2ccncc2 62a_100009816774_100000728582 [0,2,0,0,0,0|2,0,0]=4 15296 B17R2.1819 O=Cc1cccc(c1)SCc2ccccc2 62a_100000014684_100015291786 [0,2,0,0,0,0|1,0,0]=3 15297 B17R2.1819 O=Cc1cccc(c1)SCc2ccccc2 62a_100000211182_100000014684 [0,2,0,0,0,0|1,0,0]=3 15298 B17R2.1819 O=Cc1cccc(c1)SCc2ccccn2 62a_100000014684_100000721315 [0,2,0,0,0,0|2,0,0]=4 15299 B17R2.1819 O=Cc1cccc(c1)SCc2ccccn2 62a_100000721315_100000014684 [0,2,0,0,0,0|2,0,0]=4 15300 B17R2.1819 O=Cc1cccc(c1)SCc2cccnc2 62a_100000014684_100000741622 [0,2,0,0,0,0|2,0,0]=4 15301 B17R2.1819 O=Cc1cccc(c1)SCc2cccnc2 62a_100000741622_100000014684 [0,2,0,0,0,0|2,0,0]=4 15302 B17R2.1819 O=Cc1cccc(c1)SCc2ccncc2 62a_100000014684_100015193705 [0,2,0,0,0,0|2,0,0]=4 15303 B17R2.1819 O=Cc1cccc(c1)SCc2ccncc2 62a_100015193705_100000014684 [0,2,0,0,0,0|2,0,0]=4 15304 B17R2.1819 O=Cc1cccc(n1)SCc2ccccc2 62a_100000211182_100000688028 [0,2,0,0,0,0|2,0,0]=4 15305 B17R2.1819 O=Cc1cccc(n1)SCc2ccccc2 62a_100000688028_100015291786 [0,2,0,0,0,0|2,0,0]=4 15306 B17R2.1819 O=Cc1ccnc(c1)SCc2ccccc2 62a_100000211182_100011290808 [0,2,0,0,0,0|2,0,0]=4 15307 B17R2.1819 O=Cc1ccnc(c1)SCc2ccccc2 62a_100011290808_100015291786 [0,2,0,0,0,0|2,0,0]=4 15308 B17R2.1819 O=Cc1cncc(c1)SCc2ccccc2 62a_100000211182_100000687066 [0,2,0,0,0,0|2,0,0]=4 15309 B17R2.1819 O=Cc1cncc(c1)SCc2ccccc2 62a_100000687066_100015291786 [0,2,0,0,0,0|2,0,0]=4 15310 B17R2.1819 OCc1cc(ccn1)SCc2ccccc2 62a_100000211182_100000748867 [0,2,0,0,0,0|2,0,0]=4 15311 B17R2.1819 OCc1cc(ccn1)SCc2ccccc2 62a_100000748867_100015291786 [0,2,0,0,0,0|2,0,0]=4 15312 B17R2.1819 OCc1cccc(c1)C#Cc2ccccc2 271570a_100000069678_100000687537 [0,2,0,0,0,0|2,0,0]=4 15313 B17R2.1819 OCc1cccc(c1)C=Cc2ccccc2 271570a_100102527694_100000687537 [0,2,0,0,0,0|2,0,0]=4 15314 B17R2.1819 OCc1cccc(c1)CNc2ccccc2 207a_100000106764_200000050894 [0,2,0,0,0,0|2,0,0]=4 15315 B17R2.1819 OCc1cccc(c1)CNc2ccccc2 270302a_100000106764_200000050894 [0,2,0,0,0,0|2,0,0]=4 15316 B17R2.1819 OCc1cccc(c1)CNc2ccccc2 34a_100000106764_100010188025 [0,2,0,0,0,0|2,0,0]=4 15317 B17R2.1819 OCc1cccc(c1)COc2ccccc2 34a_100000210340_100010188025 [0,2,0,0,0,0|1,1,0]=4 15318 B17R2.1819 OCc1cccc(c1)COc2ccccc2 7a_100000210340_100010188025 [0,2,0,0,0,0|1,1,0]=4 15319 B17R2.1819 OCc1cccc(c1)CSc2ccccc2 62a_100000719477_100010188025 [0,2,0,0,0,0|1,0,0]=3 15320 B17R2.1819 OCc1cccc(c1)CSc2ccccc2 62a_100010188025_100000041952 [0,2,0,0,0,0|1,0,0]=3 15321 B17R2.1819 OCc1cccc(c1)CSc2ccccn2 62a_100010188025_100011216584 [0,2,0,0,0,0|2,0,0]=4 15322 B17R2.1819 OCc1cccc(c1)CSc2ccccn2 62a_100011216584_100010188025 [0,2,0,0,0,0|2,0,0]=4 15323 B17R2.1819 OCc1cccc(c1)CSc2cccnc2 62a_100000210063_100010188025 [0,2,0,0,0,0|2,0,0]=4 15324 B17R2.1819 OCc1cccc(c1)CSc2cccnc2 62a_100010188025_100000210063 [0,2,0,0,0,0|2,0,0]=4 15325 B17R2.1819 OCc1cccc(c1)CSc2ccncc2 62a_100000728582_100010188025 [0,2,0,0,0,0|2,0,0]=4 15326 B17R2.1819 OCc1cccc(c1)CSc2ccncc2 62a_100010188025_100000728582 [0,2,0,0,0,0|2,0,0]=4 15327 B17R2.1819 OCc1cccc(c1)NCc2ccccc2 207a_100000211919_100015611070 [0,2,0,0,0,0|2,0,0]=4 15328 B17R2.1819 OCc1cccc(c1)NCc2ccccc2 2230a_100000211919_100015291786 [0,2,0,0,0,0|2,0,0]=4 15329 B17R2.1819 OCc1cccc(c1)NCc2ccccc2 270302a_100000211919_100015611070 [0,2,0,0,0,0|2,0,0]=4 15330 B17R2.1819 OCc1cccc(c1)NCc2ccccc2 34a_100000211919_100015291786 [0,2,0,0,0,0|2,0,0]=4 15331 B17R2.1819 OCc1cccc(c1)OCc2ccccc2 34a_100011214949_100015291786 [0,2,0,0,0,0|1,1,0]=4 15332 B17R2.1819 OCc1cccc(c1)OCc2ccccc2 7a_100011214949_100000211182 [0,2,0,0,0,0|1,1,0]=4 15333 B17R2.1819 OCc1cccc(c1)SCc2ccccc2 62a_100000211182_100000687537 [0,2,0,0,0,0|1,0,0]=3 15334 B17R2.1819 OCc1cccc(c1)SCc2ccccc2 62a_100000687537_100015291786 [0,2,0,0,0,0|1,0,0]=3 15335 B17R2.1819 OCc1cccc(c1)SCc2ccccn2 62a_100000687537_100000721315 [0,2,0,0,0,0|2,0,0]=4 15336 B17R2.1819 OCc1cccc(c1)SCc2ccccn2 62a_100000721315_100000687537 [0,2,0,0,0,0|2,0,0]=4 15337 B17R2.1819 OCc1cccc(c1)SCc2cccnc2 62a_100000687537_100000741622 [0,2,0,0,0,0|2,0,0]=4 15338 B17R2.1819 OCc1cccc(c1)SCc2cccnc2 62a_100000741622_100000687537 [0,2,0,0,0,0|2,0,0]=4 15339 B17R2.1819 OCc1cccc(c1)SCc2ccncc2 62a_100000687537_100015193705 [0,2,0,0,0,0|2,0,0]=4 15340 B17R2.1819 OCc1cccc(c1)SCc2ccncc2 62a_100015193705_100000687537 [0,2,0,0,0,0|2,0,0]=4 15341 B17R2.1819 OCc1cccc(n1)CSc2ccccc2 62a_100000719477_100009813551 [0,2,0,0,0,0|2,0,0]=4 15342 B17R2.1819 OCc1cccc(n1)CSc2ccccc2 62a_100009813551_100000041952 [0,2,0,0,0,0|2,0,0]=4 15343 B17R2.1819 OCc1cccc(n1)SCc2ccccc2 62a_100000211182_100000694195 [0,2,0,0,0,0|2,0,0]=4 15344 B17R2.1819 OCc1cccc(n1)SCc2ccccc2 62a_100000694195_100015291786 [0,2,0,0,0,0|2,0,0]=4 15345 B17R2.1819 OCc1ccnc(c1)SCc2ccccc2 62a_100000211182_100009814636 [0,2,0,0,0,0|2,0,0]=4 15346 B17R2.1819 OCc1ccnc(c1)SCc2ccccc2 62a_100009814636_100015291786 [0,2,0,0,0,0|2,0,0]=4 15347 B17R2.1819 OCc1cncc(c1)SCc2ccccc2 62a_100000211182_100011259137 [0,2,0,0,0,0|2,0,0]=4 15348 B17R2.1819 OCc1cncc(c1)SCc2ccccc2 62a_100011259137_100015291786 [0,2,0,0,0,0|2,0,0]=4 15349 B17R2.1819 [13CH3]Nc1cccc(c1)COc2ccccc2 2230a_100000743254_200025704644 [0,2,0,0,0,0|1,1,0]=4 15350 B17R2.1819 [13CH3]Nc1cccc(c1)COc2ccccc2 34a_100000743254_200025704644 [0,2,0,0,0,0|1,1,0]=4 15351 B17R2.1819 [13CH3]Nc1cccc(c1)COc2ccccc2 7a_100000743254_200025704644 [0,2,0,0,0,0|1,1,0]=4 15352 B17R2.1819 [13CH3]Nc1cccc(c1)OCc2ccccc2 2230a_100000744109_200025704644 [0,2,0,0,0,0|1,1,0]=4 15353 B17R2.1819 [13CH3]Nc1cccc(c1)OCc2ccccc2 34a_100000744109_200025704644 [0,2,0,0,0,0|1,1,0]=4 15354 B17R2.1819 [13CH3]Nc1cccc(c1)OCc2ccccc2 7a_100000744109_200025704644 [0,2,0,0,0,0|1,1,0]=4 15355 B17R2.1819 [13CH3]Oc1cccc(c1)/C=C/c2ccccc2 34a_200020597538_200025704644 [0,2,0,0,0,0|2,0,0]=4 15356 B17R2.1819 [13CH3]Oc1cccc(c1)/C=C/c2ccccc2 7a_200020597538_200025704644 [0,2,0,0,0,0|2,0,0]=4 15357 B17R2.1819 [13CH3]Oc1cccc(c1)CCc2ccccc2 34a_100000090727_200025704644 [0,2,0,0,0,0|2,0,0]=4 15358 B17R2.1819 [13CH3]Oc1cccc(c1)CCc2ccccc2 7a_100000090727_200025704644 [0,2,0,0,0,0|2,0,0]=4 15359 B17R2.1819 [13CH3]Oc1cccc(c1)OCc2ccccc2 34a_100011215993_200025704644 [0,2,0,0,0,0|1,1,0]=4 15360 B17R2.1819 [13CH3]Oc1cccc(c1)OCc2ccccc2 7a_100011215993_200025704644 [0,2,0,0,0,0|1,1,0]=4 15361 B17R2.1819 [13CH3]Sc1cccc(c1)COc2ccccc2 62a_100000173242_200025704644 [0,2,0,0,0,0|1,1,0]=4 15362 B17R2.1819 [13CH3]Sc1cccc(c1)COc2ccccc2 62a_200025704644_100000173242 [0,2,0,0,0,0|1,1,0]=4 15363 B17R2.1819 [13CH3]Sc1cccc(c1)NCc2ccccc2 62a_100000224063_200025704644 [0,2,0,0,0,0|2,0,0]=4 15364 B17R2.1819 [13CH3]Sc1cccc(c1)NCc2ccccc2 62a_200025704644_100000224063 [0,2,0,0,0,0|2,0,0]=4 15365 B17R2.1819 [13CH3]Sc1cccc(c1)OCc2ccccc2 62a_100000151840_200025704644 [0,2,0,0,0,0|1,1,0]=4 15366 B17R2.1819 [13CH3]Sc1cccc(c1)OCc2ccccc2 62a_200025704644_100000151840 [0,2,0,0,0,0|1,1,0]=4 15367 B17R2.1819 [13CH3]Sc1cccc(c1)SCc2ccccc2 62a_100103287807_200025704644 [0,2,0,0,0,0|1,0,0]=3 15368 B17R2.1819 [13CH3]Sc1cccc(c1)SCc2ccccc2 62a_200025704644_100103287807 [0,2,0,0,0,0|1,0,0]=3 15369 B17R2.1819 [13CH3]Sc1ccnc(c1)SCc2ccccc2 62a_100042452854_200025704644 [0,2,0,0,0,0|2,0,0]=4 15370 B17R2.1819 [13CH3]Sc1ccnc(c1)SCc2ccccc2 62a_200025704644_100042452854 [0,2,0,0,0,0|2,0,0]=4 15371 B17R2.3212 Brc1cc(cc(c1)C#Cc2ccccc2)Br 271570a_100000069678_100009814770 [0,2,0,0,0,0|2,0,0]=4 15372 B17R2.3212 Brc1cc(cc(c1)C=Cc2ccccc2)Br 271570a_100102527694_100009814770 [0,2,0,0,0,0|2,0,0]=4 15373 B17R2.3212 Brc1cc(cc(c1)CNc2ccccc2)Br 207a_100000106764_100000719502 [0,2,0,0,0,0|2,0,0]=4 15374 B17R2.3212 Brc1cc(cc(c1)CNc2ccccc2)Br 270302a_100000106764_100000719502 [0,2,0,0,0,0|2,0,0]=4 15375 B17R2.3212 Brc1cc(cc(c1)CNc2ccccc2)Br 34a_100000106764_100011216082 [0,2,0,0,0,0|2,0,0]=4 15376 B17R2.3212 Brc1cc(cc(c1)CNc2ccccc2)I 207a_100000106764_100010185649 [0,2,0,0,0,0|2,0,0]=4 15377 B17R2.3212 Brc1cc(cc(c1)CNc2ccccc2)I 270302a_100000106764_100010185649 [0,2,0,0,0,0|2,0,0]=4 15378 B17R2.3212 Brc1cc(cc(c1)CNc2ccccc2)I 34a_100000106764_100010146614 [0,2,0,0,0,0|2,0,0]=4 15379 B17R2.3212 Brc1cc(cc(c1)COc2ccccc2)Br 34a_100000210340_100011216082 [0,2,0,0,0,0|1,1,0]=4 15380 B17R2.3212 Brc1cc(cc(c1)COc2ccccc2)Br 7a_100000210340_100011216082 [0,2,0,0,0,0|1,1,0]=4 15381 B17R2.3212 Brc1cc(cc(c1)COc2ccccc2)I 34a_100000210340_100010146614 [0,2,0,0,0,0|1,1,0]=4 15382 B17R2.3212 Brc1cc(cc(c1)COc2ccccc2)I 7a_100000210340_100010146614 [0,2,0,0,0,0|1,1,0]=4 15383 B17R2.3212 Brc1cc(cc(c1)CSc2ccccc2)Br 62a_100000719477_100011216082 [0,2,0,0,0,0|1,0,0]=3 15384 B17R2.3212 Brc1cc(cc(c1)CSc2ccccc2)Br 62a_100011216082_100000041952 [0,2,0,0,0,0|1,0,0]=3 15385 B17R2.3212 Brc1cc(cc(c1)CSc2ccccc2)I 62a_100000719477_100010146614 [0,2,0,0,0,0|1,0,0]=3 15386 B17R2.3212 Brc1cc(cc(c1)CSc2ccccc2)I 62a_100010146614_100000041952 [0,2,0,0,0,0|1,0,0]=3 15387 B17R2.3212 Brc1cc(cc(c1)CSc2ccccn2)Br 62a_100011216082_100011216584 [0,2,0,0,0,0|2,0,0]=4 15388 B17R2.3212 Brc1cc(cc(c1)CSc2ccccn2)Br 62a_100011216584_100011216082 [0,2,0,0,0,0|2,0,0]=4 15389 B17R2.3212 Brc1cc(cc(c1)CSc2ccccn2)I 62a_100010146614_100011216584 [0,2,0,0,0,0|2,0,0]=4 15390 B17R2.3212 Brc1cc(cc(c1)CSc2ccccn2)I 62a_100011216584_100010146614 [0,2,0,0,0,0|2,0,0]=4 15391 B17R2.3212 Brc1cc(cc(c1)CSc2cccnc2)Br 62a_100000210063_100011216082 [0,2,0,0,0,0|2,0,0]=4 15392 B17R2.3212 Brc1cc(cc(c1)CSc2cccnc2)Br 62a_100011216082_100000210063 [0,2,0,0,0,0|2,0,0]=4 15393 B17R2.3212 Brc1cc(cc(c1)CSc2cccnc2)I 62a_100000210063_100010146614 [0,2,0,0,0,0|2,0,0]=4 15394 B17R2.3212 Brc1cc(cc(c1)CSc2cccnc2)I 62a_100010146614_100000210063 [0,2,0,0,0,0|2,0,0]=4 15395 B17R2.3212 Brc1cc(cc(c1)CSc2ccncc2)Br 62a_100000728582_100011216082 [0,2,0,0,0,0|2,0,0]=4 15396 B17R2.3212 Brc1cc(cc(c1)CSc2ccncc2)Br 62a_100011216082_100000728582 [0,2,0,0,0,0|2,0,0]=4 15397 B17R2.3212 Brc1cc(cc(c1)CSc2ccncc2)I 62a_100000728582_100010146614 [0,2,0,0,0,0|2,0,0]=4 15398 B17R2.3212 Brc1cc(cc(c1)CSc2ccncc2)I 62a_100010146614_100000728582 [0,2,0,0,0,0|2,0,0]=4 15399 B17R2.3212 Brc1cc(cc(c1)NCc2ccccc2)Br 207a_100012047176_100015611070 [0,2,0,0,0,0|2,0,0]=4 15400 B17R2.3212 Brc1cc(cc(c1)NCc2ccccc2)Br 270302a_100012047176_100015611070 [0,2,0,0,0,0|2,0,0]=4 15401 B17R2.3212 Brc1cc(cc(c1)NCc2ccccc2)Br 27a_100015324214_100009814770 [0,2,0,0,0,0|2,0,0]=4 15402 B17R2.3212 Brc1cc(cc(c1)NCc2ccccc2)Br 34a_100012047176_100015291786 [0,2,0,0,0,0|2,0,0]=4 15403 B17R2.3212 Brc1cc(cc(c1)NCc2ccccc2)Br 7a_100012047176_100000211182 [0,2,0,0,0,0|2,0,0]=4 15404 B17R2.3212 Brc1cc(cc(c1)NCc2ccccc2)I 207a_100009814763_100015611070 [0,2,0,0,0,0|2,0,0]=4 15405 B17R2.3212 Brc1cc(cc(c1)NCc2ccccc2)I 270302a_100009814763_100015611070 [0,2,0,0,0,0|2,0,0]=4 15406 B17R2.3212 Brc1cc(cc(c1)NCc2ccccc2)I 7a_100009814763_100000211182 [0,2,0,0,0,0|2,0,0]=4 15407 B17R2.3212 Brc1cc(cc(c1)OCc2ccccc2)Br 34a_100010167048_100015291786 [0,2,0,0,0,0|1,1,0]=4 15408 B17R2.3212 Brc1cc(cc(c1)OCc2ccccc2)Br 7a_100010167048_100000211182 [0,2,0,0,0,0|1,1,0]=4 15409 B17R2.3212 Brc1cc(cc(c1)OCc2ccccc2)I 34a_100010068917_100015291786 [0,2,0,0,0,0|1,1,0]=4 15410 B17R2.3212 Brc1cc(cc(c1)OCc2ccccc2)I 7a_100010068917_100000211182 [0,2,0,0,0,0|1,1,0]=4 15411 B17R2.3212 Brc1cc(cc(c1)SCc2ccccc2)Br 62a_100000211182_100009814770 [0,2,0,0,0,0|1,0,0]=3 15412 B17R2.3212 Brc1cc(cc(c1)SCc2ccccc2)Br 62a_100009814770_100015291786 [0,2,0,0,0,0|1,0,0]=3 15413 B17R2.3212 Brc1cc(cc(c1)SCc2ccccn2)Br 62a_100000721315_100009814770 [0,2,0,0,0,0|2,0,0]=4 15414 B17R2.3212 Brc1cc(cc(c1)SCc2ccccn2)Br 62a_100009814770_100000721315 [0,2,0,0,0,0|2,0,0]=4 15415 B17R2.3212 Brc1cc(cc(c1)SCc2cccnc2)Br 62a_100000741622_100009814770 [0,2,0,0,0,0|2,0,0]=4 15416 B17R2.3212 Brc1cc(cc(c1)SCc2cccnc2)Br 62a_100009814770_100000741622 [0,2,0,0,0,0|2,0,0]=4 15417 B17R2.3212 Brc1cc(cc(c1)SCc2ccncc2)Br 62a_100009814770_100015193705 [0,2,0,0,0,0|2,0,0]=4 15418 B17R2.3212 Brc1cc(cc(c1)SCc2ccncc2)Br 62a_100015193705_100009814770 [0,2,0,0,0,0|2,0,0]=4 15419 B17R2.3212 Cc1cc(cc(=O)[nH]1)SCc2ccccc2 62a_100000211182_100009861981 [0,2,0,0,0,0|2,0,0]=4 15420 B17R2.3212 Cc1cc(cc(=O)[nH]1)SCc2ccccc2 62a_100009861981_100015291786 [0,2,0,0,0,0|2,0,0]=4 15421 B17R2.3212 Cc1cc(cc(c1)C#Cc2ccccc2)C 271570a_100000069678_100011215608 [0,2,0,0,0,0|2,0,0]=4 15422 B17R2.3212 Cc1cc(cc(c1)C#Cc2ccccc2)Cl 271570a_100000069678_100010172791 [0,2,0,0,0,0|2,0,0]=4 15423 B17R2.3212 Cc1cc(cc(c1)C#Cc2ccccc2)F 271570a_100000069678_100011356977 [0,2,0,0,0,0|2,0,0]=4 15424 B17R2.3212 Cc1cc(cc(c1)C#Cc2ccccc2)N 271570a_100000069678_100000695972 [0,2,0,0,0,0|2,0,0]=4 15425 B17R2.3212 Cc1cc(cc(c1)C#Cc2ccccc2)O 271570a_100000069678_100011999630 [0,2,0,0,0,0|2,0,0]=4 15426 B17R2.3212 Cc1cc(cc(c1)C=Cc2ccccc2)C 271570a_100102527694_100011215608 [0,2,0,0,0,0|2,0,0]=4 15427 B17R2.3212 Cc1cc(cc(c1)C=Cc2ccccc2)Cl 271570a_100102527694_100010172791 [0,2,0,0,0,0|2,0,0]=4 15428 B17R2.3212 Cc1cc(cc(c1)C=Cc2ccccc2)F 271570a_100102527694_100011356977 [0,2,0,0,0,0|2,0,0]=4 15429 B17R2.3212 Cc1cc(cc(c1)C=Cc2ccccc2)N 271570a_100102527694_100000695972 [0,2,0,0,0,0|2,0,0]=4 15430 B17R2.3212 Cc1cc(cc(c1)C=Cc2ccccc2)O 271570a_100102527694_100011999630 [0,2,0,0,0,0|2,0,0]=4 15431 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)Br 207a_100000106764_100000686105 [0,2,0,0,0,0|2,0,0]=4 15432 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)Br 270302a_100000106764_100000686105 [0,2,0,0,0,0|2,0,0]=4 15433 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)Br 34a_100000106764_100012348363 [0,2,0,0,0,0|2,0,0]=4 15434 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)C 207a_100000106764_100000745632 [0,2,0,0,0,0|2,0,0]=4 15435 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)C 270302a_100000106764_100000745632 [0,2,0,0,0,0|2,0,0]=4 15436 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)C 34a_100000106764_100000181317 [0,2,0,0,0,0|2,0,0]=4 15437 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)Cl 207a_100000106764_100000684525 [0,2,0,0,0,0|2,0,0]=4 15438 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)Cl 270302a_100000106764_100000684525 [0,2,0,0,0,0|2,0,0]=4 15439 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)F 207a_100000106764_100011217087 [0,2,0,0,0,0|2,0,0]=4 15440 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)F 270302a_100000106764_100011217087 [0,2,0,0,0,0|2,0,0]=4 15441 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)F 34a_100000106764_100011219130 [0,2,0,0,0,0|2,0,0]=4 15442 B17R2.3212 Cc1cc(cc(c1)CNc2ccccc2)O 207a_100000106764_100009853434 [0,2,0,0,0,0|2,0,0]=4 15443 B17R2.3212 Cc1cc(cc(c1)COc2ccccc2)Br 34a_100000210340_100012348363 [0,2,0,0,0,0|1,1,0]=4 15444 B17R2.3212 Cc1cc(cc(c1)COc2ccccc2)Br 7a_100000210340_100012348363 [0,2,0,0,0,0|1,1,0]=4 15445 B17R2.3212 Cc1cc(cc(c1)COc2ccccc2)C 34a_100000210340_100000181317 [0,2,0,0,0,0|1,1,0]=4 15446 B17R2.3212 Cc1cc(cc(c1)COc2ccccc2)C 7a_100000210340_100000181317 [0,2,0,0,0,0|1,1,0]=4 15447 B17R2.3212 Cc1cc(cc(c1)COc2ccccc2)F 34a_100000210340_100011219130 [0,2,0,0,0,0|1,1,0]=4 15448 B17R2.3212 Cc1cc(cc(c1)COc2ccccc2)F 7a_100000210340_100011219130 [0,2,0,0,0,0|1,1,0]=4 15449 B17R2.3212 Cc1cc(cc(c1)CSc2ccccc2)Br 62a_100000719477_100012348363 [0,2,0,0,0,0|1,0,0]=3 15450 B17R2.3212 Cc1cc(cc(c1)CSc2ccccc2)Br 62a_100012348363_100000041952 [0,2,0,0,0,0|1,0,0]=3 15451 B17R2.3212 Cc1cc(cc(c1)CSc2ccccc2)C 62a_100000181317_100000041952 [0,2,0,0,0,0|1,0,0]=3 15452 B17R2.3212 Cc1cc(cc(c1)CSc2ccccc2)C 62a_100000719477_100000181317 [0,2,0,0,0,0|1,0,0]=3 15453 B17R2.3212 Cc1cc(cc(c1)CSc2ccccc2)F 62a_100000719477_100011219130 [0,2,0,0,0,0|1,0,0]=3 15454 B17R2.3212 Cc1cc(cc(c1)CSc2ccccc2)F 62a_100011219130_100000041952 [0,2,0,0,0,0|1,0,0]=3 15455 B17R2.3212 Cc1cc(cc(c1)CSc2ccccn2)Br 62a_100011216584_100012348363 [0,2,0,0,0,0|2,0,0]=4 15456 B17R2.3212 Cc1cc(cc(c1)CSc2ccccn2)Br 62a_100012348363_100011216584 [0,2,0,0,0,0|2,0,0]=4 15457 B17R2.3212 Cc1cc(cc(c1)CSc2ccccn2)C 62a_100000181317_100011216584 [0,2,0,0,0,0|2,0,0]=4 15458 B17R2.3212 Cc1cc(cc(c1)CSc2ccccn2)C 62a_100011216584_100000181317 [0,2,0,0,0,0|2,0,0]=4 15459 B17R2.3212 Cc1cc(cc(c1)CSc2ccccn2)F 62a_100011216584_100011219130 [0,2,0,0,0,0|2,0,0]=4 15460 B17R2.3212 Cc1cc(cc(c1)CSc2ccccn2)F 62a_100011219130_100011216584 [0,2,0,0,0,0|2,0,0]=4 15461 B17R2.3212 Cc1cc(cc(c1)CSc2cccnc2)Br 62a_100000210063_100012348363 [0,2,0,0,0,0|2,0,0]=4 15462 B17R2.3212 Cc1cc(cc(c1)CSc2cccnc2)Br 62a_100012348363_100000210063 [0,2,0,0,0,0|2,0,0]=4 15463 B17R2.3212 Cc1cc(cc(c1)CSc2cccnc2)C 62a_100000181317_100000210063 [0,2,0,0,0,0|2,0,0]=4 15464 B17R2.3212 Cc1cc(cc(c1)CSc2cccnc2)C 62a_100000210063_100000181317 [0,2,0,0,0,0|2,0,0]=4 15465 B17R2.3212 Cc1cc(cc(c1)CSc2cccnc2)F 62a_100000210063_100011219130 [0,2,0,0,0,0|2,0,0]=4 15466 B17R2.3212 Cc1cc(cc(c1)CSc2cccnc2)F 62a_100011219130_100000210063 [0,2,0,0,0,0|2,0,0]=4 15467 B17R2.3212 Cc1cc(cc(c1)CSc2ccncc2)Br 62a_100000728582_100012348363 [0,2,0,0,0,0|2,0,0]=4 15468 B17R2.3212 Cc1cc(cc(c1)CSc2ccncc2)Br 62a_100012348363_100000728582 [0,2,0,0,0,0|2,0,0]=4 15469 B17R2.3212 Cc1cc(cc(c1)CSc2ccncc2)C 62a_100000181317_100000728582 [0,2,0,0,0,0|2,0,0]=4 15470 B17R2.3212 Cc1cc(cc(c1)CSc2ccncc2)C 62a_100000728582_100000181317 [0,2,0,0,0,0|2,0,0]=4 15471 B17R2.3212 Cc1cc(cc(c1)CSc2ccncc2)F 62a_100000728582_100011219130 [0,2,0,0,0,0|2,0,0]=4 15472 B17R2.3212 Cc1cc(cc(c1)CSc2ccncc2)F 62a_100011219130_100000728582 [0,2,0,0,0,0|2,0,0]=4 15473 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)Br 207a_100000695972_100015611070 [0,2,0,0,0,0|2,0,0]=4 15474 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)Br 270302a_100000695972_100015611070 [0,2,0,0,0,0|2,0,0]=4 15475 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)Br 34a_100000695972_100015291786 [0,2,0,0,0,0|2,0,0]=4 15476 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)Br 7a_100000695972_100000211182 [0,2,0,0,0,0|2,0,0]=4 15477 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)C 207a_100000210930_100015611070 [0,2,0,0,0,0|2,0,0]=4 15478 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)C 2230a_100000210930_100015291786 [0,2,0,0,0,0|2,0,0]=4 15479 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)C 270302a_100000210930_100015611070 [0,2,0,0,0,0|2,0,0]=4 15480 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)C 34a_100000210930_100015291786 [0,2,0,0,0,0|2,0,0]=4 15481 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)C 7a_100000210930_100000211182 [0,2,0,0,0,0|2,0,0]=4 15482 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)Cl 207a_100012022512_100015611070 [0,2,0,0,0,0|2,0,0]=4 15483 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)Cl 2230a_100012022512_100015291786 [0,2,0,0,0,0|2,0,0]=4 15484 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)Cl 270302a_100012022512_100015611070 [0,2,0,0,0,0|2,0,0]=4 15485 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)Cl 34a_100012022512_100015291786 [0,2,0,0,0,0|2,0,0]=4 15486 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)Cl 7a_100012022512_100000211182 [0,2,0,0,0,0|2,0,0]=4 15487 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)F 207a_100000742734_100015611070 [0,2,0,0,0,0|2,0,0]=4 15488 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)F 2230a_100000742734_100015291786 [0,2,0,0,0,0|2,0,0]=4 15489 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)F 270302a_100000742734_100015611070 [0,2,0,0,0,0|2,0,0]=4 15490 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)F 34a_100000742734_100015291786 [0,2,0,0,0,0|2,0,0]=4 15491 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)F 7a_100000742734_100000211182 [0,2,0,0,0,0|2,0,0]=4 15492 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)O 270302a_100011995906_100015611070 [0,2,0,0,0,0|2,0,0]=4 15493 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)O 34a_100011995906_100015291786 [0,2,0,0,0,0|2,0,0]=4 15494 B17R2.3212 Cc1cc(cc(c1)NCc2ccccc2)O 7a_100011995906_100000211182 [0,2,0,0,0,0|2,0,0]=4 15495 B17R2.3212 Cc1cc(cc(c1)OCc2ccccc2)Br 34a_100011999630_100015291786 [0,2,0,0,0,0|1,1,0]=4 15496 B17R2.3212 Cc1cc(cc(c1)OCc2ccccc2)Br 7a_100011999630_100000211182 [0,2,0,0,0,0|1,1,0]=4 15497 B17R2.3212 Cc1cc(cc(c1)OCc2ccccc2)C 34a_100000210933_100015291786 [0,2,0,0,0,0|1,1,0]=4 15498 B17R2.3212 Cc1cc(cc(c1)OCc2ccccc2)C 7a_100000210933_100000211182 [0,2,0,0,0,0|1,1,0]=4 15499 B17R2.3212 Cc1cc(cc(c1)OCc2ccccc2)Cl 34a_100000087485_100015291786 [0,2,0,0,0,0|1,1,0]=4 15500 B17R2.3212 Cc1cc(cc(c1)OCc2ccccc2)Cl 7a_100000087485_100000211182 [0,2,0,0,0,0|1,1,0]=4 15501 B17R2.3212 Cc1cc(cc(c1)OCc2ccccc2)F 34a_100011830401_100015291786 [0,2,0,0,0,0|1,1,0]=4 15502 B17R2.3212 Cc1cc(cc(c1)OCc2ccccc2)F 7a_100011830401_100000211182 [0,2,0,0,0,0|1,1,0]=4 15503 B17R2.3212 Cc1cc(cc(c1)OCc2ccccc2)N 34a_100011995906_100015291786 [0,2,0,0,0,0|1,1,0]=4 15504 B17R2.3212 Cc1cc(cc(c1)OCc2ccccc2)N 7a_100011995906_100000211182 [0,2,0,0,0,0|1,1,0]=4 15505 B17R2.3212 Cc1cc(cc(c1)OCc2ccccc2)O 271570a_203496583355_100153408583 [0,2,0,0,0,0|1,1,0]=4 15506 B17R2.3212 Cc1cc(cc(c1)SCc2ccccc2)C 62a_100000211182_100011215608 [0,2,0,0,0,0|1,0,0]=3 15507 B17R2.3212 Cc1cc(cc(c1)SCc2ccccc2)C 62a_100011215608_100015291786 [0,2,0,0,0,0|1,0,0]=3 15508 B17R2.3212 Cc1cc(cc(c1)SCc2ccccc2)Cl 62a_100000211182_100010172791 [0,2,0,0,0,0|1,0,0]=3 15509 B17R2.3212 Cc1cc(cc(c1)SCc2ccccc2)Cl 62a_100010172791_100015291786 [0,2,0,0,0,0|1,0,0]=3 15510 B17R2.3212 Cc1cc(cc(c1)SCc2ccccc2)F 62a_100000211182_100011356977 [0,2,0,0,0,0|1,0,0]=3 15511 B17R2.3212 Cc1cc(cc(c1)SCc2ccccc2)F 62a_100011356977_100015291786 [0,2,0,0,0,0|1,0,0]=3 15512 B17R2.3212 Cc1cc(cc(c1)SCc2ccccc2)N 62a_100000211182_100000695972 [0,2,0,0,0,0|1,0,0]=3 15513 B17R2.3212 Cc1cc(cc(c1)SCc2ccccc2)N 62a_100000695972_100015291786 [0,2,0,0,0,0|1,0,0]=3 15514 B17R2.3212 Cc1cc(cc(c1)SCc2ccccc2)O 62a_100000211182_100011999630 [0,2,0,0,0,0|1,0,0]=3 15515 B17R2.3212 Cc1cc(cc(c1)SCc2ccccn2)C 62a_100000721315_100011215608 [0,2,0,0,0,0|2,0,0]=4 15516 B17R2.3212 Cc1cc(cc(c1)SCc2ccccn2)C 62a_100011215608_100000721315 [0,2,0,0,0,0|2,0,0]=4 15517 B17R2.3212 Cc1cc(cc(c1)SCc2ccccn2)Cl 62a_100000721315_100010172791 [0,2,0,0,0,0|2,0,0]=4 15518 B17R2.3212 Cc1cc(cc(c1)SCc2ccccn2)Cl 62a_100010172791_100000721315 [0,2,0,0,0,0|2,0,0]=4 15519 B17R2.3212 Cc1cc(cc(c1)SCc2ccccn2)F 62a_100000721315_100011356977 [0,2,0,0,0,0|2,0,0]=4 15520 B17R2.3212 Cc1cc(cc(c1)SCc2ccccn2)F 62a_100011356977_100000721315 [0,2,0,0,0,0|2,0,0]=4 15521 B17R2.3212 Cc1cc(cc(c1)SCc2ccccn2)N 62a_100000695972_100000721315 [0,2,0,0,0,0|2,0,0]=4 15522 B17R2.3212 Cc1cc(cc(c1)SCc2ccccn2)N 62a_100000721315_100000695972 [0,2,0,0,0,0|2,0,0]=4 15523 B17R2.3212 Cc1cc(cc(c1)SCc2ccccn2)O 62a_100000721315_100011999630 [0,2,0,0,0,0|2,0,0]=4 15524 B17R2.3212 Cc1cc(cc(c1)SCc2cccnc2)C 62a_100000741622_100011215608 [0,2,0,0,0,0|2,0,0]=4 15525 B17R2.3212 Cc1cc(cc(c1)SCc2cccnc2)C 62a_100011215608_100000741622 [0,2,0,0,0,0|2,0,0]=4 15526 B17R2.3212 Cc1cc(cc(c1)SCc2cccnc2)Cl 62a_100000741622_100010172791 [0,2,0,0,0,0|2,0,0]=4 15527 B17R2.3212 Cc1cc(cc(c1)SCc2cccnc2)Cl 62a_100010172791_100000741622 [0,2,0,0,0,0|2,0,0]=4 15528 B17R2.3212 Cc1cc(cc(c1)SCc2cccnc2)F 62a_100000741622_100011356977 [0,2,0,0,0,0|2,0,0]=4 15529 B17R2.3212 Cc1cc(cc(c1)SCc2cccnc2)F 62a_100011356977_100000741622 [0,2,0,0,0,0|2,0,0]=4 15530 B17R2.3212 Cc1cc(cc(c1)SCc2cccnc2)N 62a_100000695972_100000741622 [0,2,0,0,0,0|2,0,0]=4 15531 B17R2.3212 Cc1cc(cc(c1)SCc2cccnc2)N 62a_100000741622_100000695972 [0,2,0,0,0,0|2,0,0]=4 15532 B17R2.3212 Cc1cc(cc(c1)SCc2cccnc2)O 62a_100000741622_100011999630 [0,2,0,0,0,0|2,0,0]=4 15533 B17R2.3212 Cc1cc(cc(c1)SCc2ccncc2)C 62a_100011215608_100015193705 [0,2,0,0,0,0|2,0,0]=4 15534 B17R2.3212 Cc1cc(cc(c1)SCc2ccncc2)C 62a_100015193705_100011215608 [0,2,0,0,0,0|2,0,0]=4 15535 B17R2.3212 Cc1cc(cc(c1)SCc2ccncc2)Cl 62a_100010172791_100015193705 [0,2,0,0,0,0|2,0,0]=4 15536 B17R2.3212 Cc1cc(cc(c1)SCc2ccncc2)Cl 62a_100015193705_100010172791 [0,2,0,0,0,0|2,0,0]=4 15537 B17R2.3212 Cc1cc(cc(c1)SCc2ccncc2)F 62a_100011356977_100015193705 [0,2,0,0,0,0|2,0,0]=4 15538 B17R2.3212 Cc1cc(cc(c1)SCc2ccncc2)F 62a_100015193705_100011356977 [0,2,0,0,0,0|2,0,0]=4 15539 B17R2.3212 Cc1cc(cc(c1)SCc2ccncc2)N 62a_100000695972_100015193705 [0,2,0,0,0,0|2,0,0]=4 15540 B17R2.3212 Cc1cc(cc(c1)SCc2ccncc2)N 62a_100015193705_100000695972 [0,2,0,0,0,0|2,0,0]=4 15541 B17R2.3212 Cc1cc(cc(c1)SCc2ccncc2)O 62a_100015193705_100011999630 [0,2,0,0,0,0|2,0,0]=4 15542 B17R2.3212 Cc1cc(cc(n1)C)CSc2ccccc2 62a_100000719477_200000139866 [0,2,0,0,0,0|2,0,0]=4 15543 B17R2.3212 Cc1cc(cc(n1)C)CSc2ccccc2 62a_200000139866_100000041952 [0,2,0,0,0,0|2,0,0]=4 15544 B17R2.3212 Cc1cc(cc(n1)C)SCc2ccccc2 62a_100000066820_100015291786 [0,2,0,0,0,0|2,0,0]=4 15545 B17R2.3212 Cc1cc(cc(n1)C)SCc2ccccc2 62a_100000211182_100000066820 [0,2,0,0,0,0|2,0,0]=4 15546 B17R2.3212 Cc1cc(cc(n1)Cl)SCc2ccccc2 62a_100000211182_100010068023 [0,2,0,0,0,0|2,0,0]=4 15547 B17R2.3212 Cc1cc(cc(n1)Cl)SCc2ccccc2 62a_100010068023_100015291786 [0,2,0,0,0,0|2,0,0]=4 15548 B17R2.3212 Cc1cc(cc(n1)F)SCc2ccccc2 62a_100000211182_100010006595 [0,2,0,0,0,0|2,0,0]=4 15549 B17R2.3212 Cc1cc(cc(n1)F)SCc2ccccc2 62a_100010006595_100015291786 [0,2,0,0,0,0|2,0,0]=4 15550 B17R2.3212 Cc1cc(cc(n1)N)SCc2ccccc2 62a_100000076705_100015291786 [0,2,0,0,0,0|2,0,0]=4 15551 B17R2.3212 Cc1cc(cc(n1)N)SCc2ccccc2 62a_100000211182_100000076705 [0,2,0,0,0,0|2,0,0]=4 15552 B17R2.3212 Cc1cc(cc(n1)SCc2ccccc2)N 62a_100000071261_100015291786 [0,2,0,0,0,0|2,0,0]=4 15553 B17R2.3212 Cc1cc(cc(n1)SCc2ccccc2)N 62a_100000211182_100000071261 [0,2,0,0,0,0|2,0,0]=4 15554 B17R2.3212 Cc1cc(nc(c1)CSc2ccccc2)C 62a_100000719477_100012357514 [0,2,0,0,0,0|2,0,0]=4 15555 B17R2.3212 Cc1cc(nc(c1)CSc2ccccc2)C 62a_100012357514_100000041952 [0,2,0,0,0,0|2,0,0]=4 15556 B17R2.3212 Cc1cc(nc(c1)SCc2ccccc2)C 62a_100000069240_100015291786 [0,2,0,0,0,0|2,0,0]=4 15557 B17R2.3212 Cc1cc(nc(c1)SCc2ccccc2)C 62a_100000211182_100000069240 [0,2,0,0,0,0|2,0,0]=4 15558 B17R2.3212 Cc1cc(nc(c1)SCc2ccccc2)F 62a_100000211182_100009819601 [0,2,0,0,0,0|2,0,0]=4 15559 B17R2.3212 Cc1cc(nc(c1)SCc2ccccc2)F 62a_100009819601_100015291786 [0,2,0,0,0,0|2,0,0]=4 15560 B17R2.3212 Cc1cc(nc(c1)SCc2ccccc2)N 62a_100000211182_100009819863 [0,2,0,0,0,0|2,0,0]=4 15561 B17R2.3212 Cc1cc(nc(c1)SCc2ccccc2)N 62a_100009819863_100015291786 [0,2,0,0,0,0|2,0,0]=4 15562 B17R2.3212 Clc1cc(cc(c1)C#Cc2ccccc2)Br 271570a_100000069678_100009814755 [0,2,0,0,0,0|2,0,0]=4 15563 B17R2.3212 Clc1cc(cc(c1)C#Cc2ccccc2)Cl 271570a_100000069678_100000747138 [0,2,0,0,0,0|2,0,0]=4 15564 B17R2.3212 Clc1cc(cc(c1)C=Cc2ccccc2)Br 271570a_100102527694_100009814755 [0,2,0,0,0,0|2,0,0]=4 15565 B17R2.3212 Clc1cc(cc(c1)C=Cc2ccccc2)Cl 271570a_100102527694_100000747138 [0,2,0,0,0,0|2,0,0]=4 15566 B17R2.3212 Clc1cc(cc(c1)CNc2ccccc2)Br 207a_100000106764_100011934515 [0,2,0,0,0,0|2,0,0]=4 15567 B17R2.3212 Clc1cc(cc(c1)CNc2ccccc2)Br 270302a_100000106764_100011934515 [0,2,0,0,0,0|2,0,0]=4 15568 B17R2.3212 Clc1cc(cc(c1)CNc2ccccc2)Cl 207a_100000106764_100000741761 [0,2,0,0,0,0|2,0,0]=4 15569 B17R2.3212 Clc1cc(cc(c1)CNc2ccccc2)Cl 270302a_100000106764_100000741761 [0,2,0,0,0,0|2,0,0]=4 15570 B17R2.3212 Clc1cc(cc(c1)COc2ccccc2)Cl 7a_100000210340_100011219208 [0,2,0,0,0,0|1,1,0]=4 15571 B17R2.3212 Clc1cc(cc(c1)CSc2ccccc2)Cl 62a_100000719477_100011219208 [0,2,0,0,0,0|1,0,0]=3 15572 B17R2.3212 Clc1cc(cc(c1)CSc2ccccc2)Cl 62a_100011219208_100000041952 [0,2,0,0,0,0|1,0,0]=3 15573 B17R2.3212 Clc1cc(cc(c1)CSc2ccccn2)Cl 62a_100011216584_100011219208 [0,2,0,0,0,0|2,0,0]=4 15574 B17R2.3212 Clc1cc(cc(c1)CSc2ccccn2)Cl 62a_100011219208_100011216584 [0,2,0,0,0,0|2,0,0]=4 15575 B17R2.3212 Clc1cc(cc(c1)CSc2cccnc2)Cl 62a_100000210063_100011219208 [0,2,0,0,0,0|2,0,0]=4 15576 B17R2.3212 Clc1cc(cc(c1)CSc2cccnc2)Cl 62a_100011219208_100000210063 [0,2,0,0,0,0|2,0,0]=4 15577 B17R2.3212 Clc1cc(cc(c1)CSc2ccncc2)Cl 62a_100000728582_100011219208 [0,2,0,0,0,0|2,0,0]=4 15578 B17R2.3212 Clc1cc(cc(c1)CSc2ccncc2)Cl 62a_100011219208_100000728582 [0,2,0,0,0,0|2,0,0]=4 15579 B17R2.3212 Clc1cc(cc(c1)NCc2ccccc2)Br 207a_100011934539_100015611070 [0,2,0,0,0,0|2,0,0]=4 15580 B17R2.3212 Clc1cc(cc(c1)NCc2ccccc2)Br 270302a_100011934539_100015611070 [0,2,0,0,0,0|2,0,0]=4 15581 B17R2.3212 Clc1cc(cc(c1)NCc2ccccc2)Br 34a_100011934539_100015291786 [0,2,0,0,0,0|2,0,0]=4 15582 B17R2.3212 Clc1cc(cc(c1)NCc2ccccc2)Br 7a_100011934539_100000211182 [0,2,0,0,0,0|2,0,0]=4 15583 B17R2.3212 Clc1cc(cc(c1)NCc2ccccc2)Cl 207a_100000210456_100015611070 [0,2,0,0,0,0|2,0,0]=4 15584 B17R2.3212 Clc1cc(cc(c1)NCc2ccccc2)Cl 270302a_100000210456_100015611070 [0,2,0,0,0,0|2,0,0]=4 15585 B17R2.3212 Clc1cc(cc(c1)NCc2ccccc2)Cl 34a_100000210456_100015291786 [0,2,0,0,0,0|2,0,0]=4 15586 B17R2.3212 Clc1cc(cc(c1)NCc2ccccc2)Cl 7a_100000210456_100000211182 [0,2,0,0,0,0|2,0,0]=4 15587 B17R2.3212 Clc1cc(cc(c1)NCc2ccccc2)I 207a_100010147676_100015611070 [0,2,0,0,0,0|2,0,0]=4 15588 B17R2.3212 Clc1cc(cc(c1)NCc2ccccc2)I 270302a_100010147676_100015611070 [0,2,0,0,0,0|2,0,0]=4 15589 B17R2.3212 Clc1cc(cc(c1)NCc2ccccc2)I 7a_100010147676_100000211182 [0,2,0,0,0,0|2,0,0]=4 15590 B17R2.3212 Clc1cc(cc(c1)OCc2ccccc2)Br 34a_100010185897_100015291786 [0,2,0,0,0,0|1,1,0]=4 15591 B17R2.3212 Clc1cc(cc(c1)OCc2ccccc2)Br 7a_100010185897_100000211182 [0,2,0,0,0,0|1,1,0]=4 15592 B17R2.3212 Clc1cc(cc(c1)OCc2ccccc2)Cl 34a_100000181315_100015291786 [0,2,0,0,0,0|1,1,0]=4 15593 B17R2.3212 Clc1cc(cc(c1)OCc2ccccc2)Cl 7a_100000181315_100000211182 [0,2,0,0,0,0|1,1,0]=4 15594 B17R2.3212 Clc1cc(cc(c1)OCc2ccccc2)I 34a_100010068924_100015291786 [0,2,0,0,0,0|1,1,0]=4 15595 B17R2.3212 Clc1cc(cc(c1)OCc2ccccc2)I 7a_100010068924_100000211182 [0,2,0,0,0,0|1,1,0]=4 15596 B17R2.3212 Clc1cc(cc(c1)SCc2ccccc2)Br 62a_100000211182_100009814755 [0,2,0,0,0,0|1,0,0]=3 15597 B17R2.3212 Clc1cc(cc(c1)SCc2ccccc2)Br 62a_100009814755_100015291786 [0,2,0,0,0,0|1,0,0]=3 15598 B17R2.3212 Clc1cc(cc(c1)SCc2ccccc2)Cl 62a_100000211182_100000747138 [0,2,0,0,0,0|1,0,0]=3 15599 B17R2.3212 Clc1cc(cc(c1)SCc2ccccc2)Cl 62a_100000747138_100015291786 [0,2,0,0,0,0|1,0,0]=3 15600 B17R2.3212 Clc1cc(cc(c1)SCc2ccccn2)Br 62a_100000721315_100009814755 [0,2,0,0,0,0|2,0,0]=4 15601 B17R2.3212 Clc1cc(cc(c1)SCc2ccccn2)Br 62a_100009814755_100000721315 [0,2,0,0,0,0|2,0,0]=4 15602 B17R2.3212 Clc1cc(cc(c1)SCc2ccccn2)Cl 62a_100000721315_100000747138 [0,2,0,0,0,0|2,0,0]=4 15603 B17R2.3212 Clc1cc(cc(c1)SCc2ccccn2)Cl 62a_100000747138_100000721315 [0,2,0,0,0,0|2,0,0]=4 15604 B17R2.3212 Clc1cc(cc(c1)SCc2cccnc2)Br 62a_100000741622_100009814755 [0,2,0,0,0,0|2,0,0]=4 15605 B17R2.3212 Clc1cc(cc(c1)SCc2cccnc2)Br 62a_100009814755_100000741622 [0,2,0,0,0,0|2,0,0]=4 15606 B17R2.3212 Clc1cc(cc(c1)SCc2cccnc2)Cl 62a_100000741622_100000747138 [0,2,0,0,0,0|2,0,0]=4 15607 B17R2.3212 Clc1cc(cc(c1)SCc2cccnc2)Cl 62a_100000747138_100000741622 [0,2,0,0,0,0|2,0,0]=4 15608 B17R2.3212 Clc1cc(cc(c1)SCc2ccncc2)Br 62a_100009814755_100015193705 [0,2,0,0,0,0|2,0,0]=4 15609 B17R2.3212 Clc1cc(cc(c1)SCc2ccncc2)Br 62a_100015193705_100009814755 [0,2,0,0,0,0|2,0,0]=4 15610 B17R2.3212 Clc1cc(cc(c1)SCc2ccncc2)Cl 62a_100000747138_100015193705 [0,2,0,0,0,0|2,0,0]=4 15611 B17R2.3212 Clc1cc(cc(c1)SCc2ccncc2)Cl 62a_100015193705_100000747138 [0,2,0,0,0,0|2,0,0]=4 15612 B17R2.3212 Clc1cc(cc(n1)Cl)CSc2ccccc2 62a_100000052781_100000041952 [0,2,0,0,0,0|2,0,0]=4 15613 B17R2.3212 Clc1cc(cc(n1)Cl)CSc2ccccc2 62a_100000719477_100000052781 [0,2,0,0,0,0|2,0,0]=4 15614 B17R2.3212 Clc1cc(cc(n1)Cl)SCc2ccccc2 62a_100000062418_100015291786 [0,2,0,0,0,0|2,0,0]=4 15615 B17R2.3212 Clc1cc(cc(n1)Cl)SCc2ccccc2 62a_100000211182_100000062418 [0,2,0,0,0,0|2,0,0]=4 15616 B17R2.3212 Fc1cc(cc(c1)C#Cc2ccccc2)Br 271570a_100000069678_100009814764 [0,2,0,0,0,0|2,0,0]=4 15617 B17R2.3212 Fc1cc(cc(c1)C#Cc2ccccc2)Cl 271570a_100000069678_100013859453 [0,2,0,0,0,0|2,0,0]=4 15618 B17R2.3212 Fc1cc(cc(c1)C#Cc2ccccc2)F 271570a_100000069678_100011218498 [0,2,0,0,0,0|2,0,0]=4 15619 B17R2.3212 Fc1cc(cc(c1)C=Cc2ccccc2)Br 271570a_100102527694_100009814764 [0,2,0,0,0,0|2,0,0]=4 15620 B17R2.3212 Fc1cc(cc(c1)C=Cc2ccccc2)Cl 271570a_100102527694_100013859453 [0,2,0,0,0,0|2,0,0]=4 15621 B17R2.3212 Fc1cc(cc(c1)C=Cc2ccccc2)F 271570a_100102527693_100000210277 [0,2,0,0,0,0|2,0,0]=4 15622 B17R2.3212 Fc1cc(cc(c1)C=Cc2ccccc2)F 271570a_100102527694_100011218498 [0,2,0,0,0,0|2,0,0]=4 15623 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)Br 207a_100000106764_100011794424 [0,2,0,0,0,0|2,0,0]=4 15624 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)Br 270302a_100000106764_100011794424 [0,2,0,0,0,0|2,0,0]=4 15625 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)Br 34a_100000106764_100000766940 [0,2,0,0,0,0|2,0,0]=4 15626 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)Cl 207a_100000106764_100000703917 [0,2,0,0,0,0|2,0,0]=4 15627 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)Cl 270302a_100000106764_100000703917 [0,2,0,0,0,0|2,0,0]=4 15628 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)Cl 34a_100000106764_100011219885 [0,2,0,0,0,0|2,0,0]=4 15629 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)F 207a_100000106764_100000743029 [0,2,0,0,0,0|2,0,0]=4 15630 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)F 270302a_100000106764_100000743029 [0,2,0,0,0,0|2,0,0]=4 15631 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)F 34a_100000106764_100000697002 [0,2,0,0,0,0|2,0,0]=4 15632 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)I 207a_100000106764_100010185655 [0,2,0,0,0,0|2,0,0]=4 15633 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)I 270302a_100000106764_100010185655 [0,2,0,0,0,0|2,0,0]=4 15634 B17R2.3212 Fc1cc(cc(c1)CNc2ccccc2)I 34a_100000106764_100010149605 [0,2,0,0,0,0|2,0,0]=4 15635 B17R2.3212 Fc1cc(cc(c1)COc2ccccc2)Br 34a_100000210340_100000766940 [0,2,0,0,0,0|1,1,0]=4 15636 B17R2.3212 Fc1cc(cc(c1)COc2ccccc2)Br 7a_100000210340_100000766940 [0,2,0,0,0,0|1,1,0]=4 15637 B17R2.3212 Fc1cc(cc(c1)COc2ccccc2)Cl 34a_100000210340_100011219885 [0,2,0,0,0,0|1,1,0]=4 15638 B17R2.3212 Fc1cc(cc(c1)COc2ccccc2)Cl 7a_100000210340_100011219885 [0,2,0,0,0,0|1,1,0]=4 15639 B17R2.3212 Fc1cc(cc(c1)COc2ccccc2)F 34a_100000210340_100000697002 [0,2,0,0,0,0|1,1,0]=4 15640 B17R2.3212 Fc1cc(cc(c1)COc2ccccc2)F 7a_100000210340_100000697002 [0,2,0,0,0,0|1,1,0]=4 15641 B17R2.3212 Fc1cc(cc(c1)COc2ccccc2)I 34a_100000210340_100010149605 [0,2,0,0,0,0|1,1,0]=4 15642 B17R2.3212 Fc1cc(cc(c1)COc2ccccc2)I 7a_100000210340_100010149605 [0,2,0,0,0,0|1,1,0]=4 15643 B17R2.3212 Fc1cc(cc(c1)CSc2ccccc2)Br 62a_100000719477_100000766940 [0,2,0,0,0,0|1,0,0]=3 15644 B17R2.3212 Fc1cc(cc(c1)CSc2ccccc2)Br 62a_100000766940_100000041952 [0,2,0,0,0,0|1,0,0]=3 15645 B17R2.3212 Fc1cc(cc(c1)CSc2ccccc2)Cl 62a_100000719477_100011219885 [0,2,0,0,0,0|1,0,0]=3 15646 B17R2.3212 Fc1cc(cc(c1)CSc2ccccc2)Cl 62a_100011219885_100000041952 [0,2,0,0,0,0|1,0,0]=3 15647 B17R2.3212 Fc1cc(cc(c1)CSc2ccccc2)F 62a_100000697002_100000041952 [0,2,0,0,0,0|1,0,0]=3 15648 B17R2.3212 Fc1cc(cc(c1)CSc2ccccc2)F 62a_100000719477_100000697002 [0,2,0,0,0,0|1,0,0]=3 15649 B17R2.3212 Fc1cc(cc(c1)CSc2ccccc2)I 62a_100000719477_100010149605 [0,2,0,0,0,0|1,0,0]=3 15650 B17R2.3212 Fc1cc(cc(c1)CSc2ccccc2)I 62a_100010149605_100000041952 [0,2,0,0,0,0|1,0,0]=3 15651 B17R2.3212 Fc1cc(cc(c1)CSc2ccccn2)Br 62a_100000766940_100011216584 [0,2,0,0,0,0|2,0,0]=4 15652 B17R2.3212 Fc1cc(cc(c1)CSc2ccccn2)Br 62a_100011216584_100000766940 [0,2,0,0,0,0|2,0,0]=4 15653 B17R2.3212 Fc1cc(cc(c1)CSc2ccccn2)Cl 62a_100011216584_100011219885 [0,2,0,0,0,0|2,0,0]=4 15654 B17R2.3212 Fc1cc(cc(c1)CSc2ccccn2)Cl 62a_100011219885_100011216584 [0,2,0,0,0,0|2,0,0]=4 15655 B17R2.3212 Fc1cc(cc(c1)CSc2ccccn2)F 62a_100000697002_100011216584 [0,2,0,0,0,0|2,0,0]=4 15656 B17R2.3212 Fc1cc(cc(c1)CSc2ccccn2)F 62a_100011216584_100000697002 [0,2,0,0,0,0|2,0,0]=4 15657 B17R2.3212 Fc1cc(cc(c1)CSc2ccccn2)I 62a_100010149605_100011216584 [0,2,0,0,0,0|2,0,0]=4 15658 B17R2.3212 Fc1cc(cc(c1)CSc2ccccn2)I 62a_100011216584_100010149605 [0,2,0,0,0,0|2,0,0]=4 15659 B17R2.3212 Fc1cc(cc(c1)CSc2cccnc2)Br 62a_100000210063_100000766940 [0,2,0,0,0,0|2,0,0]=4 15660 B17R2.3212 Fc1cc(cc(c1)CSc2cccnc2)Br 62a_100000766940_100000210063 [0,2,0,0,0,0|2,0,0]=4 15661 B17R2.3212 Fc1cc(cc(c1)CSc2cccnc2)Cl 62a_100000210063_100011219885 [0,2,0,0,0,0|2,0,0]=4 15662 B17R2.3212 Fc1cc(cc(c1)CSc2cccnc2)Cl 62a_100011219885_100000210063 [0,2,0,0,0,0|2,0,0]=4 15663 B17R2.3212 Fc1cc(cc(c1)CSc2cccnc2)F 62a_100000210063_100000697002 [0,2,0,0,0,0|2,0,0]=4 15664 B17R2.3212 Fc1cc(cc(c1)CSc2cccnc2)F 62a_100000697002_100000210063 [0,2,0,0,0,0|2,0,0]=4 15665 B17R2.3212 Fc1cc(cc(c1)CSc2cccnc2)I 62a_100000210063_100010149605 [0,2,0,0,0,0|2,0,0]=4 15666 B17R2.3212 Fc1cc(cc(c1)CSc2cccnc2)I 62a_100010149605_100000210063 [0,2,0,0,0,0|2,0,0]=4 15667 B17R2.3212 Fc1cc(cc(c1)CSc2ccncc2)Br 62a_100000728582_100000766940 [0,2,0,0,0,0|2,0,0]=4 15668 B17R2.3212 Fc1cc(cc(c1)CSc2ccncc2)Br 62a_100000766940_100000728582 [0,2,0,0,0,0|2,0,0]=4 15669 B17R2.3212 Fc1cc(cc(c1)CSc2ccncc2)Cl 62a_100000728582_100011219885 [0,2,0,0,0,0|2,0,0]=4 15670 B17R2.3212 Fc1cc(cc(c1)CSc2ccncc2)Cl 62a_100011219885_100000728582 [0,2,0,0,0,0|2,0,0]=4 15671 B17R2.3212 Fc1cc(cc(c1)CSc2ccncc2)F 62a_100000697002_100000728582 [0,2,0,0,0,0|2,0,0]=4 15672 B17R2.3212 Fc1cc(cc(c1)CSc2ccncc2)F 62a_100000728582_100000697002 [0,2,0,0,0,0|2,0,0]=4 15673 B17R2.3212 Fc1cc(cc(c1)CSc2ccncc2)I 62a_100000728582_100010149605 [0,2,0,0,0,0|2,0,0]=4 15674 B17R2.3212 Fc1cc(cc(c1)CSc2ccncc2)I 62a_100010149605_100000728582 [0,2,0,0,0,0|2,0,0]=4 15675 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)Br 207a_100000705686_100015611070 [0,2,0,0,0,0|2,0,0]=4 15676 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)Br 270302a_100000705686_100015611070 [0,2,0,0,0,0|2,0,0]=4 15677 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)Br 34a_100000705686_100015291786 [0,2,0,0,0,0|2,0,0]=4 15678 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)Br 7a_100000705686_100000211182 [0,2,0,0,0,0|2,0,0]=4 15679 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)Cl 207a_100000686136_100015611070 [0,2,0,0,0,0|2,0,0]=4 15680 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)Cl 270302a_100000686136_100015611070 [0,2,0,0,0,0|2,0,0]=4 15681 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)Cl 34a_100000686136_100015291786 [0,2,0,0,0,0|2,0,0]=4 15682 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)Cl 7a_100000686136_100000211182 [0,2,0,0,0,0|2,0,0]=4 15683 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)F 207a_100000233717_100015611070 [0,2,0,0,0,0|2,0,0]=4 15684 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)F 270302a_100000233717_100015611070 [0,2,0,0,0,0|2,0,0]=4 15685 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)F 34a_100000233717_100015291786 [0,2,0,0,0,0|2,0,0]=4 15686 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)F 7a_100000233717_100000211182 [0,2,0,0,0,0|2,0,0]=4 15687 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)I 207a_100011356972_100015611070 [0,2,0,0,0,0|2,0,0]=4 15688 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)I 270302a_100011356972_100015611070 [0,2,0,0,0,0|2,0,0]=4 15689 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)I 34a_100011356972_100015291786 [0,2,0,0,0,0|2,0,0]=4 15690 B17R2.3212 Fc1cc(cc(c1)NCc2ccccc2)I 7a_100011356972_100000211182 [0,2,0,0,0,0|2,0,0]=4 15691 B17R2.3212 Fc1cc(cc(c1)OCc2ccccc2)Br 34a_100000688818_100015291786 [0,2,0,0,0,0|1,1,0]=4 15692 B17R2.3212 Fc1cc(cc(c1)OCc2ccccc2)Br 7a_100000688818_100000211182 [0,2,0,0,0,0|1,1,0]=4 15693 B17R2.3212 Fc1cc(cc(c1)OCc2ccccc2)Cl 34a_100011219751_100015291786 [0,2,0,0,0,0|1,1,0]=4 15694 B17R2.3212 Fc1cc(cc(c1)OCc2ccccc2)Cl 7a_100011219751_100000211182 [0,2,0,0,0,0|1,1,0]=4 15695 B17R2.3212 Fc1cc(cc(c1)OCc2ccccc2)F 34a_100000747503_100015291786 [0,2,0,0,0,0|1,1,0]=4 15696 B17R2.3212 Fc1cc(cc(c1)OCc2ccccc2)F 7a_100000747503_100000211182 [0,2,0,0,0,0|1,1,0]=4 15697 B17R2.3212 Fc1cc(cc(c1)OCc2ccccc2)I 34a_100000717995_100015291786 [0,2,0,0,0,0|1,1,0]=4 15698 B17R2.3212 Fc1cc(cc(c1)OCc2ccccc2)I 7a_100000717995_100000211182 [0,2,0,0,0,0|1,1,0]=4 15699 B17R2.3212 Fc1cc(cc(c1)SCc2ccccc2)Br 62a_100000211182_100009814764 [0,2,0,0,0,0|1,0,0]=3 15700 B17R2.3212 Fc1cc(cc(c1)SCc2ccccc2)Br 62a_100009814764_100015291786 [0,2,0,0,0,0|1,0,0]=3 15701 B17R2.3212 Fc1cc(cc(c1)SCc2ccccc2)Cl 62a_100000211182_100013859453 [0,2,0,0,0,0|1,0,0]=3 15702 B17R2.3212 Fc1cc(cc(c1)SCc2ccccc2)Cl 62a_100013859453_100015291786 [0,2,0,0,0,0|1,0,0]=3 15703 B17R2.3212 Fc1cc(cc(c1)SCc2ccccc2)F 62a_100000211182_100000233788 [0,2,0,0,0,0|1,0,0]=3 15704 B17R2.3212 Fc1cc(cc(c1)SCc2ccccc2)F 62a_100000233788_100015291786 [0,2,0,0,0,0|1,0,0]=3 15705 B17R2.3212 Fc1cc(cc(c1)SCc2ccccn2)Br 62a_100000721315_100009814764 [0,2,0,0,0,0|2,0,0]=4 15706 B17R2.3212 Fc1cc(cc(c1)SCc2ccccn2)Br 62a_100009814764_100000721315 [0,2,0,0,0,0|2,0,0]=4 15707 B17R2.3212 Fc1cc(cc(c1)SCc2ccccn2)Cl 62a_100000721315_100013859453 [0,2,0,0,0,0|2,0,0]=4 15708 B17R2.3212 Fc1cc(cc(c1)SCc2ccccn2)Cl 62a_100013859453_100000721315 [0,2,0,0,0,0|2,0,0]=4 15709 B17R2.3212 Fc1cc(cc(c1)SCc2ccccn2)F 62a_100000233788_100000721315 [0,2,0,0,0,0|2,0,0]=4 15710 B17R2.3212 Fc1cc(cc(c1)SCc2ccccn2)F 62a_100000721315_100000233788 [0,2,0,0,0,0|2,0,0]=4 15711 B17R2.3212 Fc1cc(cc(c1)SCc2cccnc2)Br 62a_100000741622_100009814764 [0,2,0,0,0,0|2,0,0]=4 15712 B17R2.3212 Fc1cc(cc(c1)SCc2cccnc2)Br 62a_100009814764_100000741622 [0,2,0,0,0,0|2,0,0]=4 15713 B17R2.3212 Fc1cc(cc(c1)SCc2cccnc2)Cl 62a_100000741622_100013859453 [0,2,0,0,0,0|2,0,0]=4 15714 B17R2.3212 Fc1cc(cc(c1)SCc2cccnc2)Cl 62a_100013859453_100000741622 [0,2,0,0,0,0|2,0,0]=4 15715 B17R2.3212 Fc1cc(cc(c1)SCc2cccnc2)F 62a_100000233788_100000741622 [0,2,0,0,0,0|2,0,0]=4 15716 B17R2.3212 Fc1cc(cc(c1)SCc2cccnc2)F 62a_100000741622_100000233788 [0,2,0,0,0,0|2,0,0]=4 15717 B17R2.3212 Fc1cc(cc(c1)SCc2ccncc2)Br 62a_100009814764_100015193705 [0,2,0,0,0,0|2,0,0]=4 15718 B17R2.3212 Fc1cc(cc(c1)SCc2ccncc2)Br 62a_100015193705_100009814764 [0,2,0,0,0,0|2,0,0]=4 15719 B17R2.3212 Fc1cc(cc(c1)SCc2ccncc2)Cl 62a_100013859453_100015193705 [0,2,0,0,0,0|2,0,0]=4 15720 B17R2.3212 Fc1cc(cc(c1)SCc2ccncc2)Cl 62a_100015193705_100013859453 [0,2,0,0,0,0|2,0,0]=4 15721 B17R2.3212 Fc1cc(cc(c1)SCc2ccncc2)F 62a_100000233788_100015193705 [0,2,0,0,0,0|2,0,0]=4 15722 B17R2.3212 Fc1cc(cc(c1)SCc2ccncc2)F 62a_100015193705_100000233788 [0,2,0,0,0,0|2,0,0]=4 15723 B17R2.3212 Fc1cc(cc(n1)Cl)SCc2ccccc2 62a_100000211182_100011069727 [0,2,0,0,0,0|2,0,0]=4 15724 B17R2.3212 Fc1cc(cc(n1)Cl)SCc2ccccc2 62a_100011069727_100015291786 [0,2,0,0,0,0|2,0,0]=4 15725 B17R2.3212 Fc1cc(cc(n1)F)SCc2ccccc2 62a_100000049587_100015291786 [0,2,0,0,0,0|2,0,0]=4 15726 B17R2.3212 Fc1cc(cc(n1)F)SCc2ccccc2 62a_100000211182_100000049587 [0,2,0,0,0,0|2,0,0]=4 15727 B17R2.3212 Ic1cc(cc(c1)CNc2ccccc2)I 207a_100000106764_100010185653 [0,2,0,0,0,0|2,0,0]=4 15728 B17R2.3212 Ic1cc(cc(c1)CNc2ccccc2)I 270302a_100000106764_100010185653 [0,2,0,0,0,0|2,0,0]=4 15729 B17R2.3212 Ic1cc(cc(c1)NCc2ccccc2)I 207a_200000696836_100015611070 [0,2,0,0,0,0|2,0,0]=4 15730 B17R2.3212 Ic1cc(cc(c1)NCc2ccccc2)I 270302a_200000696836_100015611070 [0,2,0,0,0,0|2,0,0]=4 15731 B17R2.3212 Ic1cc(cc(c1)NCc2ccccc2)I 7a_200000696836_100000211182 [0,2,0,0,0,0|2,0,0]=4 15732 B17R2.3212 Nc1cc(cc(c1)C#Cc2ccccc2)Br 271570a_100000069678_100009814763 [0,2,0,0,0,0|2,0,0]=4 15733 B17R2.3212 Nc1cc(cc(c1)C#Cc2ccccc2)Cl 271570a_100000069678_100010147676 [0,2,0,0,0,0|2,0,0]=4 15734 B17R2.3212 Nc1cc(cc(c1)C#Cc2ccccc2)F 271570a_100000069678_100011356972 [0,2,0,0,0,0|2,0,0]=4 15735 B17R2.3212 Nc1cc(cc(c1)C#Cc2ccccc2)N 271570a_100000069678_100011999608 [0,2,0,0,0,0|2,0,0]=4 15736 B17R2.3212 Nc1cc(cc(c1)C=Cc2ccccc2)Br 271570a_100102527694_100009814763 [0,2,0,0,0,0|2,0,0]=4 15737 B17R2.3212 Nc1cc(cc(c1)C=Cc2ccccc2)Cl 271570a_100102527694_100010147676 [0,2,0,0,0,0|2,0,0]=4 15738 B17R2.3212 Nc1cc(cc(c1)C=Cc2ccccc2)F 271570a_100102527694_100011356972 [0,2,0,0,0,0|2,0,0]=4 15739 B17R2.3212 Nc1cc(cc(c1)C=Cc2ccccc2)N 271570a_100102527694_100011999608 [0,2,0,0,0,0|2,0,0]=4 15740 B17R2.3212 Nc1cc(cc(c1)OCc2ccccc2)Cl 34a_100000123917_100015291786 [0,2,0,0,0,0|1,1,0]=4 15741 B17R2.3212 Nc1cc(cc(c1)OCc2ccccc2)Cl 7a_100000123917_100000211182 [0,2,0,0,0,0|1,1,0]=4 15742 B17R2.3212 Nc1cc(cc(c1)OCc2ccccc2)O 271570a_203496583355_100014046770 [0,2,0,0,0,0|1,1,0]=4 15743 B17R2.3212 Nc1cc(cc(c1)SCc2ccccc2)Br 62a_100000211182_100009814763 [0,2,0,0,0,0|1,0,0]=3 15744 B17R2.3212 Nc1cc(cc(c1)SCc2ccccc2)Br 62a_100009814763_100015291786 [0,2,0,0,0,0|1,0,0]=3 15745 B17R2.3212 Nc1cc(cc(c1)SCc2ccccc2)Cl 62a_100000211182_100010147676 [0,2,0,0,0,0|1,0,0]=3 15746 B17R2.3212 Nc1cc(cc(c1)SCc2ccccc2)Cl 62a_100010147676_100015291786 [0,2,0,0,0,0|1,0,0]=3 15747 B17R2.3212 Nc1cc(cc(c1)SCc2ccccc2)F 62a_100000211182_100011356972 [0,2,0,0,0,0|1,0,0]=3 15748 B17R2.3212 Nc1cc(cc(c1)SCc2ccccc2)F 62a_100011356972_100015291786 [0,2,0,0,0,0|1,0,0]=3 15749 B17R2.3212 Nc1cc(cc(c1)SCc2ccccc2)N 62a_100000211182_100011999608 [0,2,0,0,0,0|1,0,0]=3 15750 B17R2.3212 Nc1cc(cc(c1)SCc2ccccc2)N 62a_100011999608_100015291786 [0,2,0,0,0,0|1,0,0]=3 15751 B17R2.3212 Nc1cc(cc(c1)SCc2ccccn2)Br 62a_100000721315_100009814763 [0,2,0,0,0,0|2,0,0]=4 15752 B17R2.3212 Nc1cc(cc(c1)SCc2ccccn2)Br 62a_100009814763_100000721315 [0,2,0,0,0,0|2,0,0]=4 15753 B17R2.3212 Nc1cc(cc(c1)SCc2ccccn2)Cl 62a_100000721315_100010147676 [0,2,0,0,0,0|2,0,0]=4 15754 B17R2.3212 Nc1cc(cc(c1)SCc2ccccn2)Cl 62a_100010147676_100000721315 [0,2,0,0,0,0|2,0,0]=4 15755 B17R2.3212 Nc1cc(cc(c1)SCc2ccccn2)F 62a_100000721315_100011356972 [0,2,0,0,0,0|2,0,0]=4 15756 B17R2.3212 Nc1cc(cc(c1)SCc2ccccn2)F 62a_100011356972_100000721315 [0,2,0,0,0,0|2,0,0]=4 15757 B17R2.3212 Nc1cc(cc(c1)SCc2ccccn2)N 62a_100000721315_100011999608 [0,2,0,0,0,0|2,0,0]=4 15758 B17R2.3212 Nc1cc(cc(c1)SCc2ccccn2)N 62a_100011999608_100000721315 [0,2,0,0,0,0|2,0,0]=4 15759 B17R2.3212 Nc1cc(cc(c1)SCc2cccnc2)Br 62a_100000741622_100009814763 [0,2,0,0,0,0|2,0,0]=4 15760 B17R2.3212 Nc1cc(cc(c1)SCc2cccnc2)Br 62a_100009814763_100000741622 [0,2,0,0,0,0|2,0,0]=4 15761 B17R2.3212 Nc1cc(cc(c1)SCc2cccnc2)Cl 62a_100000741622_100010147676 [0,2,0,0,0,0|2,0,0]=4 15762 B17R2.3212 Nc1cc(cc(c1)SCc2cccnc2)Cl 62a_100010147676_100000741622 [0,2,0,0,0,0|2,0,0]=4 15763 B17R2.3212 Nc1cc(cc(c1)SCc2cccnc2)F 62a_100000741622_100011356972 [0,2,0,0,0,0|2,0,0]=4 15764 B17R2.3212 Nc1cc(cc(c1)SCc2cccnc2)F 62a_100011356972_100000741622 [0,2,0,0,0,0|2,0,0]=4 15765 B17R2.3212 Nc1cc(cc(c1)SCc2cccnc2)N 62a_100000741622_100011999608 [0,2,0,0,0,0|2,0,0]=4 15766 B17R2.3212 Nc1cc(cc(c1)SCc2cccnc2)N 62a_100011999608_100000741622 [0,2,0,0,0,0|2,0,0]=4 15767 B17R2.3212 Nc1cc(cc(c1)SCc2ccncc2)Br 62a_100009814763_100015193705 [0,2,0,0,0,0|2,0,0]=4 15768 B17R2.3212 Nc1cc(cc(c1)SCc2ccncc2)Br 62a_100015193705_100009814763 [0,2,0,0,0,0|2,0,0]=4 15769 B17R2.3212 Nc1cc(cc(c1)SCc2ccncc2)Cl 62a_100010147676_100015193705 [0,2,0,0,0,0|2,0,0]=4 15770 B17R2.3212 Nc1cc(cc(c1)SCc2ccncc2)Cl 62a_100015193705_100010147676 [0,2,0,0,0,0|2,0,0]=4 15771 B17R2.3212 Nc1cc(cc(c1)SCc2ccncc2)F 62a_100011356972_100015193705 [0,2,0,0,0,0|2,0,0]=4 15772 B17R2.3212 Nc1cc(cc(c1)SCc2ccncc2)F 62a_100015193705_100011356972 [0,2,0,0,0,0|2,0,0]=4 15773 B17R2.3212 Nc1cc(cc(c1)SCc2ccncc2)N 62a_100011999608_100015193705 [0,2,0,0,0,0|2,0,0]=4 15774 B17R2.3212 Nc1cc(cc(c1)SCc2ccncc2)N 62a_100015193705_100011999608 [0,2,0,0,0,0|2,0,0]=4 15775 B17R2.3212 Nc1cc(cc(n1)Cl)SCc2ccccc2 62a_100000211182_200011084131 [0,2,0,0,0,0|2,0,0]=4 15776 B17R2.3212 Nc1cc(cc(n1)Cl)SCc2ccccc2 62a_200011084131_100015291786 [0,2,0,0,0,0|2,0,0]=4 15777 B17R2.3212 Nc1cc(cc(n1)N)SCc2ccccc2 62a_100009816676_100015291786 [0,2,0,0,0,0|2,0,0]=4 15778 B17R2.3212 Nc1cc(nc(c1)SCc2ccccc2)O 62a_100000211182_200012179554 [0,2,0,0,0,0|2,0,0]=4 15779 B17R2.3212 Oc1cc(cc(c1)C#Cc2ccccc2)Br 271570a_100000069678_100010068917 [0,2,0,0,0,0|2,0,0]=4 15780 B17R2.3212 Oc1cc(cc(c1)C#Cc2ccccc2)Cl 271570a_100000069678_100010068924 [0,2,0,0,0,0|2,0,0]=4 15781 B17R2.3212 Oc1cc(cc(c1)C#Cc2ccccc2)F 271570a_100000069678_100000717995 [0,2,0,0,0,0|2,0,0]=4 15782 B17R2.3212 Oc1cc(cc(c1)C#Cc2ccccc2)O 271570a_100000069678_100009868816 [0,2,0,0,0,0|2,0,0]=4 15783 B17R2.3212 Oc1cc(cc(c1)C=Cc2ccccc2)Br 271570a_100102527694_100010068917 [0,2,0,0,0,0|2,0,0]=4 15784 B17R2.3212 Oc1cc(cc(c1)C=Cc2ccccc2)Cl 271570a_100102527694_100010068924 [0,2,0,0,0,0|2,0,0]=4 15785 B17R2.3212 Oc1cc(cc(c1)C=Cc2ccccc2)F 271570a_100102527694_100000717995 [0,2,0,0,0,0|2,0,0]=4 15786 B17R2.3212 Oc1cc(cc(c1)C=Cc2ccccc2)O 271570a_100102527694_100009868816 [0,2,0,0,0,0|2,0,0]=4 15787 B17R2.3212 Oc1cc(cc(c1)CNc2ccccc2)Br 207a_100000106764_100010176088 [0,2,0,0,0,0|2,0,0]=4 15788 B17R2.3212 Oc1cc(cc(c1)CNc2ccccc2)Cl 207a_100000106764_100000050827 [0,2,0,0,0,0|2,0,0]=4 15789 B17R2.3212 Oc1cc(cc(c1)CNc2ccccc2)F 207a_100000106764_100000703664 [0,2,0,0,0,0|2,0,0]=4 15790 B17R2.3212 Oc1cc(cc(c1)CNc2ccccc2)O 207a_100000106764_100000043415 [0,2,0,0,0,0|2,0,0]=4 15791 B17R2.3212 Oc1cc(cc(c1)NCc2ccccc2)Cl 270302a_100000123917_100015611070 [0,2,0,0,0,0|2,0,0]=4 15792 B17R2.3212 Oc1cc(cc(c1)NCc2ccccc2)Cl 34a_100000123917_100015291786 [0,2,0,0,0,0|2,0,0]=4 15793 B17R2.3212 Oc1cc(cc(c1)NCc2ccccc2)Cl 7a_100000123917_100000211182 [0,2,0,0,0,0|2,0,0]=4 15794 B17R2.3212 Oc1cc(cc(c1)NCc2ccccc2)O 270302a_100000043371_100015611070 [0,2,0,0,0,0|2,0,0]=4 15795 B17R2.3212 Oc1cc(cc(c1)NCc2ccccc2)O 34a_100000043371_100015291786 [0,2,0,0,0,0|2,0,0]=4 15796 B17R2.3212 Oc1cc(cc(c1)OCc2ccccc2)F 271570a_203496583355_200012351504 [0,2,0,0,0,0|1,1,0]=4 15797 B17R2.3212 Oc1cc(cc(c1)SCc2ccccc2)Br 62a_100000211182_100010068917 [0,2,0,0,0,0|1,0,0]=3 15798 B17R2.3212 Oc1cc(cc(c1)SCc2ccccc2)Br 62a_100010068917_100015291786 [0,2,0,0,0,0|1,0,0]=3 15799 B17R2.3212 Oc1cc(cc(c1)SCc2ccccc2)Cl 62a_100000211182_100010068924 [0,2,0,0,0,0|1,0,0]=3 15800 B17R2.3212 Oc1cc(cc(c1)SCc2ccccc2)Cl 62a_100010068924_100015291786 [0,2,0,0,0,0|1,0,0]=3 15801 B17R2.3212 Oc1cc(cc(c1)SCc2ccccc2)F 62a_100000211182_100000688818 [0,2,0,0,0,0|1,0,0]=3 15802 B17R2.3212 Oc1cc(cc(c1)SCc2ccccc2)F 62a_100000688818_100015291786 [0,2,0,0,0,0|1,0,0]=3 15803 B17R2.3212 Oc1cc(cc(c1)SCc2ccccc2)O 62a_100000211182_100009868816 [0,2,0,0,0,0|1,0,0]=3 15804 B17R2.3212 Oc1cc(cc(c1)SCc2ccccn2)Br 62a_100000721315_100010068917 [0,2,0,0,0,0|2,0,0]=4 15805 B17R2.3212 Oc1cc(cc(c1)SCc2ccccn2)Br 62a_100010068917_100000721315 [0,2,0,0,0,0|2,0,0]=4 15806 B17R2.3212 Oc1cc(cc(c1)SCc2ccccn2)Cl 62a_100000721315_100010068924 [0,2,0,0,0,0|2,0,0]=4 15807 B17R2.3212 Oc1cc(cc(c1)SCc2ccccn2)Cl 62a_100010068924_100000721315 [0,2,0,0,0,0|2,0,0]=4 15808 B17R2.3212 Oc1cc(cc(c1)SCc2ccccn2)F 62a_100000688818_100000721315 [0,2,0,0,0,0|2,0,0]=4 15809 B17R2.3212 Oc1cc(cc(c1)SCc2ccccn2)F 62a_100000721315_100000688818 [0,2,0,0,0,0|2,0,0]=4 15810 B17R2.3212 Oc1cc(cc(c1)SCc2ccccn2)O 62a_100000721315_100009868816 [0,2,0,0,0,0|2,0,0]=4 15811 B17R2.3212 Oc1cc(cc(c1)SCc2cccnc2)Br 62a_100000741622_100010068917 [0,2,0,0,0,0|2,0,0]=4 15812 B17R2.3212 Oc1cc(cc(c1)SCc2cccnc2)Br 62a_100010068917_100000741622 [0,2,0,0,0,0|2,0,0]=4 15813 B17R2.3212 Oc1cc(cc(c1)SCc2cccnc2)Cl 62a_100000741622_100010068924 [0,2,0,0,0,0|2,0,0]=4 15814 B17R2.3212 Oc1cc(cc(c1)SCc2cccnc2)Cl 62a_100010068924_100000741622 [0,2,0,0,0,0|2,0,0]=4 15815 B17R2.3212 Oc1cc(cc(c1)SCc2cccnc2)F 62a_100000688818_100000741622 [0,2,0,0,0,0|2,0,0]=4 15816 B17R2.3212 Oc1cc(cc(c1)SCc2cccnc2)F 62a_100000741622_100000688818 [0,2,0,0,0,0|2,0,0]=4 15817 B17R2.3212 Oc1cc(cc(c1)SCc2cccnc2)O 62a_100000741622_100009868816 [0,2,0,0,0,0|2,0,0]=4 15818 B17R2.3212 Oc1cc(cc(c1)SCc2ccncc2)Br 62a_100010068917_100015193705 [0,2,0,0,0,0|2,0,0]=4 15819 B17R2.3212 Oc1cc(cc(c1)SCc2ccncc2)Br 62a_100015193705_100010068917 [0,2,0,0,0,0|2,0,0]=4 15820 B17R2.3212 Oc1cc(cc(c1)SCc2ccncc2)Cl 62a_100010068924_100015193705 [0,2,0,0,0,0|2,0,0]=4 15821 B17R2.3212 Oc1cc(cc(c1)SCc2ccncc2)Cl 62a_100015193705_100010068924 [0,2,0,0,0,0|2,0,0]=4 15822 B17R2.3212 Oc1cc(cc(c1)SCc2ccncc2)F 62a_100000688818_100015193705 [0,2,0,0,0,0|2,0,0]=4 15823 B17R2.3212 Oc1cc(cc(c1)SCc2ccncc2)F 62a_100015193705_100000688818 [0,2,0,0,0,0|2,0,0]=4 15824 B17R2.3212 Oc1cc(cc(c1)SCc2ccncc2)O 62a_100015193705_100009868816 [0,2,0,0,0,0|2,0,0]=4 15825 B17R2.5300 Brc1cc(ccn1)SCc2cccc(c2)I 62a_100009814637_100011218688 [0,2,0,0,0,0|2,0,0]=4 15826 B17R2.5300 Brc1cc(ccn1)SCc2cccc(c2)I 62a_100011218688_100009814637 [0,2,0,0,0,0|2,0,0]=4 15827 B17R2.5300 Brc1cccc(c1)CNc2cccc(c2)Br 207a_100000210019_100000210085 [0,2,0,0,0,0|2,0,0]=4 15828 B17R2.5300 Brc1cccc(c1)CNc2cccc(c2)Br 270302a_100000210019_100000210085 [0,2,0,0,0,0|2,0,0]=4 15829 B17R2.5300 Brc1cccc(c1)CNc2cccc(c2)Br 34a_100000210019_100000698116 [0,2,0,0,0,0|2,0,0]=4 15830 B17R2.5300 Brc1cccc(c1)CNc2cccc(c2)I 207a_100000211102_100000210085 [0,2,0,0,0,0|2,0,0]=4 15831 B17R2.5300 Brc1cccc(c1)CNc2cccc(c2)I 270302a_100000211102_100000210085 [0,2,0,0,0,0|2,0,0]=4 15832 B17R2.5300 Brc1cccc(c1)CNc2cccc(c2)I 34a_100000211102_100000698116 [0,2,0,0,0,0|2,0,0]=4 15833 B17R2.5300 Brc1cccc(c1)COc2cccc(c2)Br 34a_100000210342_100000698116 [0,2,0,0,0,0|1,1,0]=4 15834 B17R2.5300 Brc1cccc(c1)COc2cccc(c2)Br 7a_100000210342_100000211773 [0,2,0,0,0,0|1,1,0]=4 15835 B17R2.5300 Brc1cccc(c1)COc2cccc(c2)I 34a_100000211634_100000698116 [0,2,0,0,0,0|1,1,0]=4 15836 B17R2.5300 Brc1cccc(c1)COc2cccc(c2)I 7a_100000211634_100000211773 [0,2,0,0,0,0|1,1,0]=4 15837 B17R2.5300 Brc1cccc(c1)CSc2cccc(c2)Br 62a_100000211773_100000691529 [0,2,0,0,0,0|1,0,0]=3 15838 B17R2.5300 Brc1cccc(c1)CSc2cccc(c2)Br 62a_100000691529_100000211773 [0,2,0,0,0,0|1,0,0]=3 15839 B17R2.5300 Brc1cccc(c1)CSc2cccc(n2)Br 62a_100000211773_100000684672 [0,2,0,0,0,0|2,0,0]=4 15840 B17R2.5300 Brc1cccc(c1)CSc2cccc(n2)Br 62a_100000684672_100000211773 [0,2,0,0,0,0|2,0,0]=4 15841 B17R2.5300 Brc1cccc(c1)CSc2ccnc(c2)Br 62a_100000211773_100009814637 [0,2,0,0,0,0|2,0,0]=4 15842 B17R2.5300 Brc1cccc(c1)CSc2ccnc(c2)Br 62a_100009814637_100000211773 [0,2,0,0,0,0|2,0,0]=4 15843 B17R2.5300 Brc1cccc(c1)CSc2cncc(c2)Br 62a_100000211773_100000728054 [0,2,0,0,0,0|2,0,0]=4 15844 B17R2.5300 Brc1cccc(c1)CSc2cncc(c2)Br 62a_100000728054_100000211773 [0,2,0,0,0,0|2,0,0]=4 15845 B17R2.5300 Brc1cccc(c1)NCc2cccc(c2)I 207a_100000210019_100000014684 [0,2,0,0,0,0|2,0,0]=4 15846 B17R2.5300 Brc1cccc(c1)NCc2cccc(c2)I 270302a_100000210019_100000014684 [0,2,0,0,0,0|2,0,0]=4 15847 B17R2.5300 Brc1cccc(c1)NCc2cccc(c2)I 34a_100000210019_100011218688 [0,2,0,0,0,0|2,0,0]=4 15848 B17R2.5300 Brc1cccc(c1)OCc2cccc(c2)I 34a_100000210342_100011218688 [0,2,0,0,0,0|1,1,0]=4 15849 B17R2.5300 Brc1cccc(c1)OCc2cccc(c2)I 7a_100000210342_100011218688 [0,2,0,0,0,0|1,1,0]=4 15850 B17R2.5300 Brc1cccc(c1)SCc2cc(ccn2)Br 62a_100000691529_100010173614 [0,2,0,0,0,0|2,0,0]=4 15851 B17R2.5300 Brc1cccc(c1)SCc2cc(ccn2)Br 62a_100010173614_100000691529 [0,2,0,0,0,0|2,0,0]=4 15852 B17R2.5300 Brc1cccc(c1)SCc2cccc(c2)I 62a_100000691529_100011218688 [0,2,0,0,0,0|1,0,0]=3 15853 B17R2.5300 Brc1cccc(c1)SCc2cccc(c2)I 62a_100011218688_100000691529 [0,2,0,0,0,0|1,0,0]=3 15854 B17R2.5300 Brc1cccc(c1)SCc2cccc(n2)Br 62a_100000691529_100009889011 [0,2,0,0,0,0|2,0,0]=4 15855 B17R2.5300 Brc1cccc(c1)SCc2cccc(n2)Br 62a_100009889011_100000691529 [0,2,0,0,0,0|2,0,0]=4 15856 B17R2.5300 Brc1cccc(c1)SCc2ccnc(c2)Br 62a_100000691529_100010243470 [0,2,0,0,0,0|2,0,0]=4 15857 B17R2.5300 Brc1cccc(c1)SCc2ccnc(c2)Br 62a_100010254460_100000691529 [0,2,0,0,0,0|2,0,0]=4 15858 B17R2.5300 Brc1cccc(n1)SCc2cccc(c2)I 62a_100000684672_100011218688 [0,2,0,0,0,0|2,0,0]=4 15859 B17R2.5300 Brc1cccc(n1)SCc2cccc(c2)I 62a_100011218688_100000684672 [0,2,0,0,0,0|2,0,0]=4 15860 B17R2.5300 Brc1cncc(c1)CSc2cccc(c2)Br 62a_100000691529_100000738771 [0,2,0,0,0,0|2,0,0]=4 15861 B17R2.5300 Brc1cncc(c1)CSc2cccc(c2)Br 62a_100000738771_100000691529 [0,2,0,0,0,0|2,0,0]=4 15862 B17R2.5300 Brc1cncc(c1)SCc2cccc(c2)I 62a_100000728054_100011218688 [0,2,0,0,0,0|2,0,0]=4 15863 B17R2.5300 Brc1cncc(c1)SCc2cccc(c2)I 62a_100011218688_100000728054 [0,2,0,0,0,0|2,0,0]=4 15864 B17R2.5300 C[n+]1cccc(c1)SCc2cccc(c2)Br 62a_100000211773_100009996589 [0,2,0,0,0,0|2,0,0]=4 15865 B17R2.5300 C[n+]1cccc(c1)SCc2cccc(c2)Br 62a_100009996589_100000211773 [0,2,0,0,0,0|2,0,0]=4 15866 B17R2.5300 C[n+]1cccc(c1)SCc2cccc(c2)Cl 62a_100000187163_100009996589 [0,2,0,0,0,0|2,0,0]=4 15867 B17R2.5300 C[n+]1cccc(c1)SCc2cccc(c2)Cl 62a_100009996589_100000187163 [0,2,0,0,0,0|2,0,0]=4 15868 B17R2.5300 C[n+]1cccc(c1)SCc2cccc(c2)F 62a_100000230114_100009996589 [0,2,0,0,0,0|2,0,0]=4 15869 B17R2.5300 C[n+]1cccc(c1)SCc2cccc(c2)F 62a_100009996589_100000230114 [0,2,0,0,0,0|2,0,0]=4 15870 B17R2.5300 C[n+]1cccc(c1)SCc2cccc(c2)I 62a_100009996589_100011218688 [0,2,0,0,0,0|2,0,0]=4 15871 B17R2.5300 C[n+]1cccc(c1)SCc2cccc(c2)I 62a_100011218688_100009996589 [0,2,0,0,0,0|2,0,0]=4 15872 B17R2.5300 C[n+]1cccc(c1)SCc2cccc(c2)O 62a_100009996589_100011660834 [0,2,0,0,0,0|2,0,0]=4 15873 B17R2.5300 C[n+]1cccc(c1)SCc2cccc(c2)O 62a_100011660834_100009996589 [0,2,0,0,0,0|2,0,0]=4 15874 B17R2.5300 Cc1cc(ccn1)CSc2cccc(c2)Br 62a_100000691529_200020672517 [0,2,0,0,0,0|2,0,0]=4 15875 B17R2.5300 Cc1cc(ccn1)CSc2cccc(c2)Br 62a_200020672517_100000691529 [0,2,0,0,0,0|2,0,0]=4 15876 B17R2.5300 Cc1cc(ccn1)CSc2cccc(c2)Cl 62a_100000699651_200020672517 [0,2,0,0,0,0|2,0,0]=4 15877 B17R2.5300 Cc1cc(ccn1)CSc2cccc(c2)Cl 62a_200020672517_100000699651 [0,2,0,0,0,0|2,0,0]=4 15878 B17R2.5300 Cc1cc(ccn1)CSc2cccc(c2)F 62a_100000685547_200020672517 [0,2,0,0,0,0|2,0,0]=4 15879 B17R2.5300 Cc1cc(ccn1)CSc2cccc(c2)F 62a_200020672517_100000685547 [0,2,0,0,0,0|2,0,0]=4 15880 B17R2.5300 Cc1cc(ccn1)CSc2cccc(c2)N 62a_100000210019_200020672517 [0,2,0,0,0,0|2,0,0]=4 15881 B17R2.5300 Cc1cc(ccn1)CSc2cccc(c2)N 62a_200020672517_100000210019 [0,2,0,0,0,0|2,0,0]=4 15882 B17R2.5300 Cc1cc(ccn1)CSc2cccc(c2)O 62a_200020672517_100000211634 [0,2,0,0,0,0|2,0,0]=4 15883 B17R2.5300 Cc1cc(ccn1)CSc2cccc(c2)[S] 62a_114929384022_200020672517 [0,2,0,0,0,0|2,0,0]=4 15884 B17R2.5300 Cc1cc(ccn1)CSc2cccc(c2)[S] 62a_200020672517_114929384022 [0,2,0,0,0,0|2,0,0]=4 15885 B17R2.5300 Cc1cc(ccn1)SCc2cccc(c2)Br 62a_100000211773_100000758586 [0,2,0,0,0,0|2,0,0]=4 15886 B17R2.5300 Cc1cc(ccn1)SCc2cccc(c2)Br 62a_100000758586_100000211773 [0,2,0,0,0,0|2,0,0]=4 15887 B17R2.5300 Cc1cc(ccn1)SCc2cccc(c2)Cl 62a_100000187163_100000758586 [0,2,0,0,0,0|2,0,0]=4 15888 B17R2.5300 Cc1cc(ccn1)SCc2cccc(c2)Cl 62a_100000758586_100000187163 [0,2,0,0,0,0|2,0,0]=4 15889 B17R2.5300 Cc1cc(ccn1)SCc2cccc(c2)F 62a_100000230114_100000758586 [0,2,0,0,0,0|2,0,0]=4 15890 B17R2.5300 Cc1cc(ccn1)SCc2cccc(c2)F 62a_100000758586_100000230114 [0,2,0,0,0,0|2,0,0]=4 15891 B17R2.5300 Cc1cc(ccn1)SCc2cccc(c2)I 62a_100000758586_100011218688 [0,2,0,0,0,0|2,0,0]=4 15892 B17R2.5300 Cc1cc(ccn1)SCc2cccc(c2)I 62a_100011218688_100000758586 [0,2,0,0,0,0|2,0,0]=4 15893 B17R2.5300 Cc1cc(ccn1)SCc2cccc(c2)O 62a_100000758586_100011660834 [0,2,0,0,0,0|2,0,0]=4 15894 B17R2.5300 Cc1cc(ccn1)SCc2cccc(c2)O 62a_100011660834_100000758586 [0,2,0,0,0,0|2,0,0]=4 15895 B17R2.5300 Cc1cccc(c1)C=Cc2cccc(c2)Br 271570a_200135466880_100000691529 [0,2,0,0,0,0|2,0,0]=4 15896 B17R2.5300 Cc1cccc(c1)C=Cc2cccc(c2)C 271570a_200135466880_100011215228 [0,2,0,0,0,0|2,0,0]=4 15897 B17R2.5300 Cc1cccc(c1)C=Cc2cccc(c2)Cl 271570a_100102525933_100011215228 [0,2,0,0,0,0|2,0,0]=4 15898 B17R2.5300 Cc1cccc(c1)C=Cc2cccc(c2)Cl 271570a_200135466880_100000699651 [0,2,0,0,0,0|2,0,0]=4 15899 B17R2.5300 Cc1cccc(c1)C=Cc2cccc(c2)F 271570a_100102525537_100011215228 [0,2,0,0,0,0|2,0,0]=4 15900 B17R2.5300 Cc1cccc(c1)C=Cc2cccc(c2)F 271570a_200135466880_100000685547 [0,2,0,0,0,0|2,0,0]=4 15901 B17R2.5300 Cc1cccc(c1)C=Cc2cccc(c2)N 271570a_200135466880_100000210019 [0,2,0,0,0,0|2,0,0]=4 15902 B17R2.5300 Cc1cccc(c1)C=Cc2cccc(c2)O 271570a_200135466880_100000211634 [0,2,0,0,0,0|2,0,0]=4 15903 B17R2.5300 Cc1cccc(c1)C=Cc2cccc(c2)[S] 271570a_200135466880_114929384022 [0,2,0,0,0,0|2,0,0]=4 15904 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)Br 207a_100000210019_100000211157 [0,2,0,0,0,0|2,0,0]=4 15905 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)Br 270302a_100000210019_100000211157 [0,2,0,0,0,0|2,0,0]=4 15906 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)Br 34a_100000210019_100000211840 [0,2,0,0,0,0|2,0,0]=4 15907 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)C 207a_100000188690_100000211157 [0,2,0,0,0,0|2,0,0]=4 15908 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)C 2230a_100000188690_100000211840 [0,2,0,0,0,0|2,0,0]=4 15909 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)C 270302a_100000188690_100000211157 [0,2,0,0,0,0|2,0,0]=4 15910 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)C 34a_100000188690_100000211840 [0,2,0,0,0,0|2,0,0]=4 15911 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)Cl 207a_100000185859_100000211157 [0,2,0,0,0,0|2,0,0]=4 15912 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)Cl 270302a_100000185859_100000211157 [0,2,0,0,0,0|2,0,0]=4 15913 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)Cl 34a_100000185859_100000211840 [0,2,0,0,0,0|2,0,0]=4 15914 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)F 207a_100000210047_100000211157 [0,2,0,0,0,0|2,0,0]=4 15915 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)F 270302a_100000210047_100000211157 [0,2,0,0,0,0|2,0,0]=4 15916 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)F 34a_100000210047_100000211840 [0,2,0,0,0,0|2,0,0]=4 15917 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)I 207a_100000211102_100000211157 [0,2,0,0,0,0|2,0,0]=4 15918 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)I 270302a_100000211102_100000211157 [0,2,0,0,0,0|2,0,0]=4 15919 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)I 34a_100000211102_100000211840 [0,2,0,0,0,0|2,0,0]=4 15920 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)O 270302a_100000210217_100000211157 [0,2,0,0,0,0|2,0,0]=4 15921 B17R2.5300 Cc1cccc(c1)CNc2cccc(c2)O 34a_100000210217_100000211840 [0,2,0,0,0,0|2,0,0]=4 15922 B17R2.5300 Cc1cccc(c1)COc2cccc(c2)Br 34a_100000210342_100000211840 [0,2,0,0,0,0|1,1,0]=4 15923 B17R2.5300 Cc1cccc(c1)COc2cccc(c2)Br 7a_100000210342_100000211840 [0,2,0,0,0,0|1,1,0]=4 15924 B17R2.5300 Cc1cccc(c1)COc2cccc(c2)C 34a_100000210337_100000211840 [0,2,0,0,0,0|1,1,0]=4 15925 B17R2.5300 Cc1cccc(c1)COc2cccc(c2)C 7a_100000210337_100000211840 [0,2,0,0,0,0|1,1,0]=4 15926 B17R2.5300 Cc1cccc(c1)COc2cccc(c2)Cl 34a_100000210295_100000211840 [0,2,0,0,0,0|1,1,0]=4 15927 B17R2.5300 Cc1cccc(c1)COc2cccc(c2)Cl 7a_100000210295_100000211840 [0,2,0,0,0,0|1,1,0]=4 15928 B17R2.5300 Cc1cccc(c1)COc2cccc(c2)F 34a_100000210426_100000211840 [0,2,0,0,0,0|1,1,0]=4 15929 B17R2.5300 Cc1cccc(c1)COc2cccc(c2)F 7a_100000210426_100000211840 [0,2,0,0,0,0|1,1,0]=4 15930 B17R2.5300 Cc1cccc(c1)COc2cccc(c2)I 34a_100000211634_100000211840 [0,2,0,0,0,0|1,1,0]=4 15931 B17R2.5300 Cc1cccc(c1)COc2cccc(c2)I 7a_100000211634_100000211840 [0,2,0,0,0,0|1,1,0]=4 15932 B17R2.5300 Cc1cccc(c1)COc2cccc(c2)N 34a_100000210217_100000211840 [0,2,0,0,0,0|1,1,0]=4 15933 B17R2.5300 Cc1cccc(c1)CSc2cc(=O)cc[nH]2 62a_100009817434_100000211840 [0,2,0,0,0,0|2,0,0]=4 15934 B17R2.5300 Cc1cccc(c1)CSc2cc(ccn2)C 62a_100000211840_100000750283 [0,2,0,0,0,0|2,0,0]=4 15935 B17R2.5300 Cc1cccc(c1)CSc2cc(ccn2)C 62a_100000750283_100000211840 [0,2,0,0,0,0|2,0,0]=4 15936 B17R2.5300 Cc1cccc(c1)CSc2cc(ccn2)Cl 62a_100000211840_100010167805 [0,2,0,0,0,0|2,0,0]=4 15937 B17R2.5300 Cc1cccc(c1)CSc2cc(ccn2)Cl 62a_100010167805_100000211840 [0,2,0,0,0,0|2,0,0]=4 15938 B17R2.5300 Cc1cccc(c1)CSc2cc(ccn2)F 62a_100000211840_100000764206 [0,2,0,0,0,0|2,0,0]=4 15939 B17R2.5300 Cc1cccc(c1)CSc2cc(ccn2)F 62a_100000764206_100000211840 [0,2,0,0,0,0|2,0,0]=4 15940 B17R2.5300 Cc1cccc(c1)CSc2cc(ccn2)N 62a_100000211840_100009814236 [0,2,0,0,0,0|2,0,0]=4 15941 B17R2.5300 Cc1cccc(c1)CSc2cc(ccn2)N 62a_100009814236_100000211840 [0,2,0,0,0,0|2,0,0]=4 15942 B17R2.5300 Cc1cccc(c1)CSc2cc(ccn2)O 62a_100000211840_100000762945 [0,2,0,0,0,0|2,0,0]=4 15943 B17R2.5300 Cc1cccc(c1)CSc2cc[nH]c(=O)c2 62a_100000211840_100009816521 [0,2,0,0,0,0|2,0,0]=4 15944 B17R2.5300 Cc1cccc(c1)CSc2cc[nH]c(=O)c2 62a_100009816521_100000211840 [0,2,0,0,0,0|2,0,0]=4 15945 B17R2.5300 Cc1cccc(c1)CSc2ccc[n+](c2)C 62a_100000211840_100009996589 [0,2,0,0,0,0|2,0,0]=4 15946 B17R2.5300 Cc1cccc(c1)CSc2ccc[n+](c2)C 62a_100009996589_100000211840 [0,2,0,0,0,0|2,0,0]=4 15947 B17R2.5300 Cc1cccc(c1)CSc2ccc[n+](c2)[O-] 62a_100000211840_100009815978 [0,2,0,0,0,0|2,0,0]=4 15948 B17R2.5300 Cc1cccc(c1)CSc2cccc(=O)[nH]2 62a_100000211840_100000752884 [0,2,0,0,0,0|2,0,0]=4 15949 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)Br 62a_100000211840_100000691529 [0,2,0,0,0,0|1,0,0]=3 15950 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)Br 62a_100000691529_100000211840 [0,2,0,0,0,0|1,0,0]=3 15951 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)C 62a_100000211840_100011215228 [0,2,0,0,0,0|1,0,0]=3 15952 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)C 62a_100011215228_100000211840 [0,2,0,0,0,0|1,0,0]=3 15953 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)Cl 62a_100000211840_100000699651 [0,2,0,0,0,0|1,0,0]=3 15954 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)Cl 62a_100000699651_100000211840 [0,2,0,0,0,0|1,0,0]=3 15955 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)F 62a_100000211840_100000685547 [0,2,0,0,0,0|1,0,0]=3 15956 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)F 62a_100000685547_100000211840 [0,2,0,0,0,0|1,0,0]=3 15957 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)N 62a_100000210019_100000211840 [0,2,0,0,0,0|1,0,0]=3 15958 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)N 62a_100000211840_100000210019 [0,2,0,0,0,0|1,0,0]=3 15959 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)O 62a_100000211840_100000211634 [0,2,0,0,0,0|1,0,0]=3 15960 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)[S] 62a_100000211840_114929384022 [0,2,0,0,0,0|1,0,0]=3 15961 B17R2.5300 Cc1cccc(c1)CSc2cccc(c2)[S] 62a_114929384022_100000211840 [0,2,0,0,0,0|1,0,0]=3 15962 B17R2.5300 Cc1cccc(c1)CSc2cccc(n2)Br 62a_100000211840_100000684672 [0,2,0,0,0,0|2,0,0]=4 15963 B17R2.5300 Cc1cccc(c1)CSc2cccc(n2)Br 62a_100000684672_100000211840 [0,2,0,0,0,0|2,0,0]=4 15964 B17R2.5300 Cc1cccc(c1)CSc2cccc(n2)C 62a_100000211840_100000742759 [0,2,0,0,0,0|2,0,0]=4 15965 B17R2.5300 Cc1cccc(c1)CSc2cccc(n2)C 62a_100000742759_100000211840 [0,2,0,0,0,0|2,0,0]=4 15966 B17R2.5300 Cc1cccc(c1)CSc2cccc(n2)Cl 62a_100000051397_100000211840 [0,2,0,0,0,0|2,0,0]=4 15967 B17R2.5300 Cc1cccc(c1)CSc2cccc(n2)Cl 62a_100000211840_100000051397 [0,2,0,0,0,0|2,0,0]=4 15968 B17R2.5300 Cc1cccc(c1)CSc2cccc(n2)F 62a_100000211840_100009815982 [0,2,0,0,0,0|2,0,0]=4 15969 B17R2.5300 Cc1cccc(c1)CSc2cccc(n2)F 62a_100009815982_100000211840 [0,2,0,0,0,0|2,0,0]=4 15970 B17R2.5300 Cc1cccc(c1)CSc2cccc(n2)N 62a_100000211840_100000740741 [0,2,0,0,0,0|2,0,0]=4 15971 B17R2.5300 Cc1cccc(c1)CSc2cccc(n2)N 62a_100000740741_100000211840 [0,2,0,0,0,0|2,0,0]=4 15972 B17R2.5300 Cc1cccc(c1)CSc2ccnc(c2)Br 62a_100000211840_100009814637 [0,2,0,0,0,0|2,0,0]=4 15973 B17R2.5300 Cc1cccc(c1)CSc2ccnc(c2)Br 62a_100009814637_100000211840 [0,2,0,0,0,0|2,0,0]=4 15974 B17R2.5300 Cc1cccc(c1)CSc2ccnc(c2)C 62a_100000211840_100000758586 [0,2,0,0,0,0|2,0,0]=4 15975 B17R2.5300 Cc1cccc(c1)CSc2ccnc(c2)C 62a_100000758586_100000211840 [0,2,0,0,0,0|2,0,0]=4 15976 B17R2.5300 Cc1cccc(c1)CSc2ccnc(c2)Cl 62a_100000035001_100000211840 [0,2,0,0,0,0|2,0,0]=4 15977 B17R2.5300 Cc1cccc(c1)CSc2ccnc(c2)Cl 62a_100000211840_100000035001 [0,2,0,0,0,0|2,0,0]=4 15978 B17R2.5300 Cc1cccc(c1)CSc2ccnc(c2)F 62a_100000211840_100009816116 [0,2,0,0,0,0|2,0,0]=4 15979 B17R2.5300 Cc1cccc(c1)CSc2ccnc(c2)F 62a_100009816116_100000211840 [0,2,0,0,0,0|2,0,0]=4 15980 B17R2.5300 Cc1cccc(c1)CSc2ccnc(c2)N 62a_100000049665_100000211840 [0,2,0,0,0,0|2,0,0]=4 15981 B17R2.5300 Cc1cccc(c1)CSc2ccnc(c2)N 62a_100000211840_100000049665 [0,2,0,0,0,0|2,0,0]=4 15982 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)Br 62a_100000211840_100000728054 [0,2,0,0,0,0|2,0,0]=4 15983 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)Br 62a_100000728054_100000211840 [0,2,0,0,0,0|2,0,0]=4 15984 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)C 62a_100000211840_100000760492 [0,2,0,0,0,0|2,0,0]=4 15985 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)C 62a_100000760492_100000211840 [0,2,0,0,0,0|2,0,0]=4 15986 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)Cl 62a_100000049639_100000211840 [0,2,0,0,0,0|2,0,0]=4 15987 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)Cl 62a_100000211840_100000049639 [0,2,0,0,0,0|2,0,0]=4 15988 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)F 62a_100000211840_100000744099 [0,2,0,0,0,0|2,0,0]=4 15989 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)F 62a_100000744099_100000211840 [0,2,0,0,0,0|2,0,0]=4 15990 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)N 62a_100000211840_100000687067 [0,2,0,0,0,0|2,0,0]=4 15991 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)N 62a_100000687067_100000211840 [0,2,0,0,0,0|2,0,0]=4 15992 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)O 62a_100000211840_100000754920 [0,2,0,0,0,0|2,0,0]=4 15993 B17R2.5300 Cc1cccc(c1)CSc2cncc(c2)O 62a_100000754920_100000211840 [0,2,0,0,0,0|2,0,0]=4 15994 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)Br 207a_100000188690_100000210085 [0,2,0,0,0,0|2,0,0]=4 15995 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)Br 2230a_100000188690_100000698116 [0,2,0,0,0,0|2,0,0]=4 15996 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)Br 270302a_100000188690_100000210085 [0,2,0,0,0,0|2,0,0]=4 15997 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)Br 34a_100000188690_100000698116 [0,2,0,0,0,0|2,0,0]=4 15998 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)Cl 207a_100000188690_100000210801 [0,2,0,0,0,0|2,0,0]=4 15999 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)Cl 2230a_100000188690_100000181238 [0,2,0,0,0,0|2,0,0]=4 16000 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)Cl 270302a_100000188690_100000210801 [0,2,0,0,0,0|2,0,0]=4 16001 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)Cl 34a_100000188690_100000187163 [0,2,0,0,0,0|2,0,0]=4 16002 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)F 207a_100000188690_100000210812 [0,2,0,0,0,0|2,0,0]=4 16003 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)F 2230a_100000188690_100000230114 [0,2,0,0,0,0|2,0,0]=4 16004 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)F 270302a_100000188690_100000210812 [0,2,0,0,0,0|2,0,0]=4 16005 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)F 34a_100000188690_100000187166 [0,2,0,0,0,0|2,0,0]=4 16006 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)I 207a_100000188690_100000014684 [0,2,0,0,0,0|2,0,0]=4 16007 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)I 2230a_100000188690_100011218688 [0,2,0,0,0,0|2,0,0]=4 16008 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)I 270302a_100000188690_100000014684 [0,2,0,0,0,0|2,0,0]=4 16009 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)I 34a_100000188690_100011218688 [0,2,0,0,0,0|2,0,0]=4 16010 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)O 207a_100000188690_100000188321 [0,2,0,0,0,0|2,0,0]=4 16011 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)O 2230a_100000188690_100011660834 [0,2,0,0,0,0|2,0,0]=4 16012 B17R2.5300 Cc1cccc(c1)NCc2cccc(c2)O 34a_100000188690_100011660834 [0,2,0,0,0,0|2,0,0]=4 16013 B17R2.5300 Cc1cccc(c1)OCc2cccc(c2)Br 34a_100000210337_100000698116 [0,2,0,0,0,0|1,1,0]=4 16014 B17R2.5300 Cc1cccc(c1)OCc2cccc(c2)Br 7a_100000210337_100000211773 [0,2,0,0,0,0|1,1,0]=4 16015 B17R2.5300 Cc1cccc(c1)OCc2cccc(c2)Cl 34a_100000210337_100000187163 [0,2,0,0,0,0|1,1,0]=4 16016 B17R2.5300 Cc1cccc(c1)OCc2cccc(c2)Cl 7a_100000210337_100000187163 [0,2,0,0,0,0|1,1,0]=4 16017 B17R2.5300 Cc1cccc(c1)OCc2cccc(c2)F 34a_100000210337_100000187166 [0,2,0,0,0,0|1,1,0]=4 16018 B17R2.5300 Cc1cccc(c1)OCc2cccc(c2)F 7a_100000210337_100000230114 [0,2,0,0,0,0|1,1,0]=4 16019 B17R2.5300 Cc1cccc(c1)OCc2cccc(c2)I 34a_100000210337_100011218688 [0,2,0,0,0,0|1,1,0]=4 16020 B17R2.5300 Cc1cccc(c1)OCc2cccc(c2)I 7a_100000210337_100011218688 [0,2,0,0,0,0|1,1,0]=4 16021 B17R2.5300 Cc1cccc(c1)OCc2cccc(c2)O 34a_100000210337_100011660834 [0,2,0,0,0,0|1,1,0]=4 16022 B17R2.5300 Cc1cccc(c1)OCc2cccc(c2)O 7a_100000210337_100000084143 [0,2,0,0,0,0|1,1,0]=4 16023 B17R2.5300 Cc1cccc(c1)SCc2cc(ccn2)Br 62a_100010173614_100011215228 [0,2,0,0,0,0|2,0,0]=4 16024 B17R2.5300 Cc1cccc(c1)SCc2cc(ccn2)Br 62a_100011215228_100010173614 [0,2,0,0,0,0|2,0,0]=4 16025 B17R2.5300 Cc1cccc(c1)SCc2cc(ccn2)C 62a_100000718516_100011215228 [0,2,0,0,0,0|2,0,0]=4 16026 B17R2.5300 Cc1cccc(c1)SCc2cc(ccn2)C 62a_100011215228_100000718516 [0,2,0,0,0,0|2,0,0]=4 16027 B17R2.5300 Cc1cccc(c1)SCc2cc(ccn2)Cl 62a_100011215228_100016988179 [0,2,0,0,0,0|2,0,0]=4 16028 B17R2.5300 Cc1cccc(c1)SCc2cc(ccn2)Cl 62a_100016988179_100011215228 [0,2,0,0,0,0|2,0,0]=4 16029 B17R2.5300 Cc1cccc(c1)SCc2cccc(c2)Br 62a_100000211773_100011215228 [0,2,0,0,0,0|1,0,0]=3 16030 B17R2.5300 Cc1cccc(c1)SCc2cccc(c2)Br 62a_100011215228_100000211773 [0,2,0,0,0,0|1,0,0]=3 16031 B17R2.5300 Cc1cccc(c1)SCc2cccc(c2)Cl 62a_100000187163_100011215228 [0,2,0,0,0,0|1,0,0]=3 16032 B17R2.5300 Cc1cccc(c1)SCc2cccc(c2)Cl 62a_100011215228_100000187163 [0,2,0,0,0,0|1,0,0]=3 16033 B17R2.5300 Cc1cccc(c1)SCc2cccc(c2)F 62a_100000230114_100011215228 [0,2,0,0,0,0|1,0,0]=3 16034 B17R2.5300 Cc1cccc(c1)SCc2cccc(c2)F 62a_100011215228_100000230114 [0,2,0,0,0,0|1,0,0]=3 16035 B17R2.5300 Cc1cccc(c1)SCc2cccc(c2)I 62a_100011215228_100011218688 [0,2,0,0,0,0|1,0,0]=3 16036 B17R2.5300 Cc1cccc(c1)SCc2cccc(c2)I 62a_100011218688_100011215228 [0,2,0,0,0,0|1,0,0]=3 16037 B17R2.5300 Cc1cccc(c1)SCc2cccc(c2)O 62a_100011215228_100011660834 [0,2,0,0,0,0|1,0,0]=3 16038 B17R2.5300 Cc1cccc(c1)SCc2cccc(c2)O 62a_100011660834_100011215228 [0,2,0,0,0,0|1,0,0]=3 16039 B17R2.5300 Cc1cccc(c1)SCc2cccc(n2)Br 62a_100009889011_100011215228 [0,2,0,0,0,0|2,0,0]=4 16040 B17R2.5300 Cc1cccc(c1)SCc2cccc(n2)Br 62a_100011215228_100009889011 [0,2,0,0,0,0|2,0,0]=4 16041 B17R2.5300 Cc1cccc(c1)SCc2cccc(n2)C 62a_100000757606_100011215228 [0,2,0,0,0,0|2,0,0]=4 16042 B17R2.5300 Cc1cccc(c1)SCc2cccc(n2)C 62a_100011215228_100000757606 [0,2,0,0,0,0|2,0,0]=4 16043 B17R2.5300 Cc1cccc(c1)SCc2cccc(n2)Cl 62a_100000086093_100011215228 [0,2,0,0,0,0|2,0,0]=4 16044 B17R2.5300 Cc1cccc(c1)SCc2cccc(n2)Cl 62a_100011215228_100000086093 [0,2,0,0,0,0|2,0,0]=4 16045 B17R2.5300 Cc1cccc(c1)SCc2cccc(n2)F 62a_100009819644_100011215228 [0,2,0,0,0,0|2,0,0]=4 16046 B17R2.5300 Cc1cccc(c1)SCc2cccc(n2)F 62a_100011215228_100009819644 [0,2,0,0,0,0|2,0,0]=4 16047 B17R2.5300 Cc1cccc(c1)SCc2ccnc(c2)Br 62a_100010254460_100011215228 [0,2,0,0,0,0|2,0,0]=4 16048 B17R2.5300 Cc1cccc(c1)SCc2ccnc(c2)Br 62a_100011215228_100010243470 [0,2,0,0,0,0|2,0,0]=4 16049 B17R2.5300 Cc1cccc(c1)SCc2ccnc(c2)C 62a_100011215228_200020672517 [0,2,0,0,0,0|2,0,0]=4 16050 B17R2.5300 Cc1cccc(c1)SCc2ccnc(c2)C 62a_200020672517_100011215228 [0,2,0,0,0,0|2,0,0]=4 16051 B17R2.5300 Cc1cccc(c1)SCc2ccnc(c2)Cl 62a_100000764220_100011215228 [0,2,0,0,0,0|2,0,0]=4 16052 B17R2.5300 Cc1cccc(c1)SCc2ccnc(c2)Cl 62a_100011215228_100000764220 [0,2,0,0,0,0|2,0,0]=4 16053 B17R2.5300 Cc1cccc(c1)SCc2cncc(c2)Br 62a_100000738771_100011215228 [0,2,0,0,0,0|2,0,0]=4 16054 B17R2.5300 Cc1cccc(c1)SCc2cncc(c2)Br 62a_100011215228_100000738771 [0,2,0,0,0,0|2,0,0]=4 16055 B17R2.5300 Cc1cccc(c1)SCc2cncc(c2)Cl 62a_100011215228_100016992070 [0,2,0,0,0,0|2,0,0]=4 16056 B17R2.5300 Cc1cccc(c1)SCc2cncc(c2)Cl 62a_100016992070_100011215228 [0,2,0,0,0,0|2,0,0]=4 16057 B17R2.5300 Cc1cccc(c1)SCc2cncc(c2)F 62a_100000725299_100011215228 [0,2,0,0,0,0|2,0,0]=4 16058 B17R2.5300 Cc1cccc(c1)SCc2cncc(c2)F 62a_100011215228_100000725299 [0,2,0,0,0,0|2,0,0]=4 16059 B17R2.5300 Cc1cccc(n1)CSc2cccc(c2)Br 62a_100000691529_100000757606 [0,2,0,0,0,0|2,0,0]=4 16060 B17R2.5300 Cc1cccc(n1)CSc2cccc(c2)Br 62a_100000757606_100000691529 [0,2,0,0,0,0|2,0,0]=4 16061 B17R2.5300 Cc1cccc(n1)CSc2cccc(c2)Cl 62a_100000699651_100000757606 [0,2,0,0,0,0|2,0,0]=4 16062 B17R2.5300 Cc1cccc(n1)CSc2cccc(c2)Cl 62a_100000757606_100000699651 [0,2,0,0,0,0|2,0,0]=4 16063 B17R2.5300 Cc1cccc(n1)CSc2cccc(c2)F 62a_100000685547_100000757606 [0,2,0,0,0,0|2,0,0]=4 16064 B17R2.5300 Cc1cccc(n1)CSc2cccc(c2)F 62a_100000757606_100000685547 [0,2,0,0,0,0|2,0,0]=4 16065 B17R2.5300 Cc1cccc(n1)CSc2cccc(c2)N 62a_100000210019_100000757606 [0,2,0,0,0,0|2,0,0]=4 16066 B17R2.5300 Cc1cccc(n1)CSc2cccc(c2)N 62a_100000757606_100000210019 [0,2,0,0,0,0|2,0,0]=4 16067 B17R2.5300 Cc1cccc(n1)CSc2cccc(c2)O 62a_100000757606_100000211634 [0,2,0,0,0,0|2,0,0]=4 16068 B17R2.5300 Cc1cccc(n1)CSc2cccc(c2)[S] 62a_100000757606_114929384022 [0,2,0,0,0,0|2,0,0]=4 16069 B17R2.5300 Cc1cccc(n1)CSc2cccc(c2)[S] 62a_114929384022_100000757606 [0,2,0,0,0,0|2,0,0]=4 16070 B17R2.5300 Cc1cccc(n1)SCc2cccc(c2)Br 62a_100000211773_100000742759 [0,2,0,0,0,0|2,0,0]=4 16071 B17R2.5300 Cc1cccc(n1)SCc2cccc(c2)Br 62a_100000742759_100000211773 [0,2,0,0,0,0|2,0,0]=4 16072 B17R2.5300 Cc1cccc(n1)SCc2cccc(c2)Cl 62a_100000187163_100000742759 [0,2,0,0,0,0|2,0,0]=4 16073 B17R2.5300 Cc1cccc(n1)SCc2cccc(c2)Cl 62a_100000742759_100000187163 [0,2,0,0,0,0|2,0,0]=4 16074 B17R2.5300 Cc1cccc(n1)SCc2cccc(c2)F 62a_100000230114_100000742759 [0,2,0,0,0,0|2,0,0]=4 16075 B17R2.5300 Cc1cccc(n1)SCc2cccc(c2)F 62a_100000742759_100000230114 [0,2,0,0,0,0|2,0,0]=4 16076 B17R2.5300 Cc1cccc(n1)SCc2cccc(c2)I 62a_100000742759_100011218688 [0,2,0,0,0,0|2,0,0]=4 16077 B17R2.5300 Cc1cccc(n1)SCc2cccc(c2)I 62a_100011218688_100000742759 [0,2,0,0,0,0|2,0,0]=4 16078 B17R2.5300 Cc1cccc(n1)SCc2cccc(c2)O 62a_100000742759_100011660834 [0,2,0,0,0,0|2,0,0]=4 16079 B17R2.5300 Cc1cccc(n1)SCc2cccc(c2)O 62a_100011660834_100000742759 [0,2,0,0,0,0|2,0,0]=4 16080 B17R2.5300 Cc1ccnc(c1)CSc2cccc(c2)Br 62a_100000691529_100000718516 [0,2,0,0,0,0|2,0,0]=4 16081 B17R2.5300 Cc1ccnc(c1)CSc2cccc(c2)Br 62a_100000718516_100000691529 [0,2,0,0,0,0|2,0,0]=4 16082 B17R2.5300 Cc1ccnc(c1)CSc2cccc(c2)Cl 62a_100000699651_100000718516 [0,2,0,0,0,0|2,0,0]=4 16083 B17R2.5300 Cc1ccnc(c1)CSc2cccc(c2)Cl 62a_100000718516_100000699651 [0,2,0,0,0,0|2,0,0]=4 16084 B17R2.5300 Cc1ccnc(c1)CSc2cccc(c2)F 62a_100000685547_100000718516 [0,2,0,0,0,0|2,0,0]=4 16085 B17R2.5300 Cc1ccnc(c1)CSc2cccc(c2)F 62a_100000718516_100000685547 [0,2,0,0,0,0|2,0,0]=4 16086 B17R2.5300 Cc1ccnc(c1)CSc2cccc(c2)N 62a_100000210019_100000718516 [0,2,0,0,0,0|2,0,0]=4 16087 B17R2.5300 Cc1ccnc(c1)CSc2cccc(c2)N 62a_100000718516_100000210019 [0,2,0,0,0,0|2,0,0]=4 16088 B17R2.5300 Cc1ccnc(c1)CSc2cccc(c2)O 62a_100000718516_100000211634 [0,2,0,0,0,0|2,0,0]=4 16089 B17R2.5300 Cc1ccnc(c1)CSc2cccc(c2)[S] 62a_100000718516_114929384022 [0,2,0,0,0,0|2,0,0]=4 16090 B17R2.5300 Cc1ccnc(c1)CSc2cccc(c2)[S] 62a_114929384022_100000718516 [0,2,0,0,0,0|2,0,0]=4 16091 B17R2.5300 Cc1ccnc(c1)SCc2cccc(c2)Br 62a_100000211773_100000750283 [0,2,0,0,0,0|2,0,0]=4 16092 B17R2.5300 Cc1ccnc(c1)SCc2cccc(c2)Br 62a_100000750283_100000211773 [0,2,0,0,0,0|2,0,0]=4 16093 B17R2.5300 Cc1ccnc(c1)SCc2cccc(c2)Cl 62a_100000187163_100000750283 [0,2,0,0,0,0|2,0,0]=4 16094 B17R2.5300 Cc1ccnc(c1)SCc2cccc(c2)Cl 62a_100000750283_100000187163 [0,2,0,0,0,0|2,0,0]=4 16095 B17R2.5300 Cc1ccnc(c1)SCc2cccc(c2)F 62a_100000230114_100000750283 [0,2,0,0,0,0|2,0,0]=4 16096 B17R2.5300 Cc1ccnc(c1)SCc2cccc(c2)F 62a_100000750283_100000230114 [0,2,0,0,0,0|2,0,0]=4 16097 B17R2.5300 Cc1ccnc(c1)SCc2cccc(c2)I 62a_100000750283_100011218688 [0,2,0,0,0,0|2,0,0]=4 16098 B17R2.5300 Cc1ccnc(c1)SCc2cccc(c2)I 62a_100011218688_100000750283 [0,2,0,0,0,0|2,0,0]=4 16099 B17R2.5300 Cc1ccnc(c1)SCc2cccc(c2)O 62a_100000750283_100011660834 [0,2,0,0,0,0|2,0,0]=4 16100 B17R2.5300 Cc1ccnc(c1)SCc2cccc(c2)O 62a_100011660834_100000750283 [0,2,0,0,0,0|2,0,0]=4 16101 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)Br 62a_100000691529_100000716715 [0,2,0,0,0,0|2,0,0]=4 16102 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)Br 62a_100000716715_100000691529 [0,2,0,0,0,0|2,0,0]=4 16103 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)C 62a_100000716715_100011215228 [0,2,0,0,0,0|2,0,0]=4 16104 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)C 62a_100011215228_100000716715 [0,2,0,0,0,0|2,0,0]=4 16105 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)Cl 62a_100000699651_100000716715 [0,2,0,0,0,0|2,0,0]=4 16106 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)Cl 62a_100000716715_100000699651 [0,2,0,0,0,0|2,0,0]=4 16107 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)F 62a_100000685547_100000716715 [0,2,0,0,0,0|2,0,0]=4 16108 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)F 62a_100000716715_100000685547 [0,2,0,0,0,0|2,0,0]=4 16109 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)N 62a_100000210019_100000716715 [0,2,0,0,0,0|2,0,0]=4 16110 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)N 62a_100000716715_100000210019 [0,2,0,0,0,0|2,0,0]=4 16111 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)O 62a_100000716715_100000211634 [0,2,0,0,0,0|2,0,0]=4 16112 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)[S] 62a_100000716715_114929384022 [0,2,0,0,0,0|2,0,0]=4 16113 B17R2.5300 Cc1cncc(c1)CSc2cccc(c2)[S] 62a_114929384022_100000716715 [0,2,0,0,0,0|2,0,0]=4 16114 B17R2.5300 Cc1cncc(c1)SCc2cccc(c2)Br 62a_100000211773_100000760492 [0,2,0,0,0,0|2,0,0]=4 16115 B17R2.5300 Cc1cncc(c1)SCc2cccc(c2)Br 62a_100000760492_100000211773 [0,2,0,0,0,0|2,0,0]=4 16116 B17R2.5300 Cc1cncc(c1)SCc2cccc(c2)Cl 62a_100000187163_100000760492 [0,2,0,0,0,0|2,0,0]=4 16117 B17R2.5300 Cc1cncc(c1)SCc2cccc(c2)Cl 62a_100000760492_100000187163 [0,2,0,0,0,0|2,0,0]=4 16118 B17R2.5300 Cc1cncc(c1)SCc2cccc(c2)F 62a_100000230114_100000760492 [0,2,0,0,0,0|2,0,0]=4 16119 B17R2.5300 Cc1cncc(c1)SCc2cccc(c2)F 62a_100000760492_100000230114 [0,2,0,0,0,0|2,0,0]=4 16120 B17R2.5300 Cc1cncc(c1)SCc2cccc(c2)I 62a_100000760492_100011218688 [0,2,0,0,0,0|2,0,0]=4 16121 B17R2.5300 Cc1cncc(c1)SCc2cccc(c2)I 62a_100011218688_100000760492 [0,2,0,0,0,0|2,0,0]=4 16122 B17R2.5300 Cc1cncc(c1)SCc2cccc(c2)O 62a_100000760492_100011660834 [0,2,0,0,0,0|2,0,0]=4 16123 B17R2.5300 Cc1cncc(c1)SCc2cccc(c2)O 62a_100011660834_100000760492 [0,2,0,0,0,0|2,0,0]=4 16124 B17R2.5300 Clc1cc(ccn1)CSc2cccc(c2)Br 62a_100000691529_100000764220 [0,2,0,0,0,0|2,0,0]=4 16125 B17R2.5300 Clc1cc(ccn1)CSc2cccc(c2)Br 62a_100000764220_100000691529 [0,2,0,0,0,0|2,0,0]=4 16126 B17R2.5300 Clc1cc(ccn1)SCc2cccc(c2)Br 62a_100000035001_100000211773 [0,2,0,0,0,0|2,0,0]=4 16127 B17R2.5300 Clc1cc(ccn1)SCc2cccc(c2)Br 62a_100000211773_100000035001 [0,2,0,0,0,0|2,0,0]=4 16128 B17R2.5300 Clc1cc(ccn1)SCc2cccc(c2)I 62a_100000035001_100011218688 [0,2,0,0,0,0|2,0,0]=4 16129 B17R2.5300 Clc1cc(ccn1)SCc2cccc(c2)I 62a_100011218688_100000035001 [0,2,0,0,0,0|2,0,0]=4 16130 B17R2.5300 Clc1cccc(c1)C=Cc2cccc(c2)Br 271570a_100102525933_100000691529 [0,2,0,0,0,0|2,0,0]=4 16131 B17R2.5300 Clc1cccc(c1)C=Cc2cccc(c2)Cl 271570a_100102525933_100000699651 [0,2,0,0,0,0|2,0,0]=4 16132 B17R2.5300 Clc1cccc(c1)CNc2cccc(c2)Br 207a_100000210019_100000210801 [0,2,0,0,0,0|2,0,0]=4 16133 B17R2.5300 Clc1cccc(c1)CNc2cccc(c2)Br 270302a_100000210019_100000210801 [0,2,0,0,0,0|2,0,0]=4 16134 B17R2.5300 Clc1cccc(c1)CNc2cccc(c2)Br 34a_100000210019_100000187163 [0,2,0,0,0,0|2,0,0]=4 16135 B17R2.5300 Clc1cccc(c1)CNc2cccc(c2)Cl 207a_100000185859_100000210801 [0,2,0,0,0,0|2,0,0]=4 16136 B17R2.5300 Clc1cccc(c1)CNc2cccc(c2)Cl 270302a_100000185859_100000210801 [0,2,0,0,0,0|2,0,0]=4 16137 B17R2.5300 Clc1cccc(c1)CNc2cccc(c2)Cl 34a_100000185859_100000187163 [0,2,0,0,0,0|2,0,0]=4 16138 B17R2.5300 Clc1cccc(c1)CNc2cccc(c2)I 207a_100000211102_100000210801 [0,2,0,0,0,0|2,0,0]=4 16139 B17R2.5300 Clc1cccc(c1)CNc2cccc(c2)I 270302a_100000211102_100000210801 [0,2,0,0,0,0|2,0,0]=4 16140 B17R2.5300 Clc1cccc(c1)CNc2cccc(c2)I 34a_100000211102_100000187163 [0,2,0,0,0,0|2,0,0]=4 16141 B17R2.5300 Clc1cccc(c1)COc2cccc(c2)Br 34a_100000210342_100000187163 [0,2,0,0,0,0|1,1,0]=4 16142 B17R2.5300 Clc1cccc(c1)COc2cccc(c2)Br 7a_100000210342_100000187163 [0,2,0,0,0,0|1,1,0]=4 16143 B17R2.5300 Clc1cccc(c1)COc2cccc(c2)Cl 34a_100000210295_100000187163 [0,2,0,0,0,0|1,1,0]=4 16144 B17R2.5300 Clc1cccc(c1)COc2cccc(c2)Cl 7a_100000210295_100000187163 [0,2,0,0,0,0|1,1,0]=4 16145 B17R2.5300 Clc1cccc(c1)COc2cccc(c2)I 34a_100000211634_100000187163 [0,2,0,0,0,0|1,1,0]=4 16146 B17R2.5300 Clc1cccc(c1)COc2cccc(c2)I 7a_100000211634_100000187163 [0,2,0,0,0,0|1,1,0]=4 16147 B17R2.5300 Clc1cccc(c1)CSc2cc(ccn2)Cl 62a_100000187163_100010167805 [0,2,0,0,0,0|2,0,0]=4 16148 B17R2.5300 Clc1cccc(c1)CSc2cc(ccn2)Cl 62a_100010167805_100000187163 [0,2,0,0,0,0|2,0,0]=4 16149 B17R2.5300 Clc1cccc(c1)CSc2cccc(c2)Br 62a_100000187163_100000691529 [0,2,0,0,0,0|1,0,0]=3 16150 B17R2.5300 Clc1cccc(c1)CSc2cccc(c2)Br 62a_100000691529_100000187163 [0,2,0,0,0,0|1,0,0]=3 16151 B17R2.5300 Clc1cccc(c1)CSc2cccc(c2)Cl 62a_100000187163_100000699651 [0,2,0,0,0,0|1,0,0]=3 16152 B17R2.5300 Clc1cccc(c1)CSc2cccc(c2)Cl 62a_100000699651_100000187163 [0,2,0,0,0,0|1,0,0]=3 16153 B17R2.5300 Clc1cccc(c1)CSc2cccc(n2)Br 62a_100000187163_100000684672 [0,2,0,0,0,0|2,0,0]=4 16154 B17R2.5300 Clc1cccc(c1)CSc2cccc(n2)Br 62a_100000684672_100000187163 [0,2,0,0,0,0|2,0,0]=4 16155 B17R2.5300 Clc1cccc(c1)CSc2cccc(n2)Cl 62a_100000051397_100000187163 [0,2,0,0,0,0|2,0,0]=4 16156 B17R2.5300 Clc1cccc(c1)CSc2cccc(n2)Cl 62a_100000187163_100000051397 [0,2,0,0,0,0|2,0,0]=4 16157 B17R2.5300 Clc1cccc(c1)CSc2ccnc(c2)Br 62a_100000187163_100009814637 [0,2,0,0,0,0|2,0,0]=4 16158 B17R2.5300 Clc1cccc(c1)CSc2ccnc(c2)Br 62a_100009814637_100000187163 [0,2,0,0,0,0|2,0,0]=4 16159 B17R2.5300 Clc1cccc(c1)CSc2ccnc(c2)Cl 62a_100000035001_100000187163 [0,2,0,0,0,0|2,0,0]=4 16160 B17R2.5300 Clc1cccc(c1)CSc2ccnc(c2)Cl 62a_100000187163_100000035001 [0,2,0,0,0,0|2,0,0]=4 16161 B17R2.5300 Clc1cccc(c1)CSc2cncc(c2)Br 62a_100000187163_100000728054 [0,2,0,0,0,0|2,0,0]=4 16162 B17R2.5300 Clc1cccc(c1)CSc2cncc(c2)Br 62a_100000728054_100000187163 [0,2,0,0,0,0|2,0,0]=4 16163 B17R2.5300 Clc1cccc(c1)CSc2cncc(c2)Cl 62a_100000049639_100000187163 [0,2,0,0,0,0|2,0,0]=4 16164 B17R2.5300 Clc1cccc(c1)CSc2cncc(c2)Cl 62a_100000187163_100000049639 [0,2,0,0,0,0|2,0,0]=4 16165 B17R2.5300 Clc1cccc(c1)NCc2cccc(c2)Br 207a_100000185859_100000210085 [0,2,0,0,0,0|2,0,0]=4 16166 B17R2.5300 Clc1cccc(c1)NCc2cccc(c2)Br 270302a_100000185859_100000210085 [0,2,0,0,0,0|2,0,0]=4 16167 B17R2.5300 Clc1cccc(c1)NCc2cccc(c2)Br 34a_100000185859_100000698116 [0,2,0,0,0,0|2,0,0]=4 16168 B17R2.5300 Clc1cccc(c1)NCc2cccc(c2)I 207a_100000185859_100000014684 [0,2,0,0,0,0|2,0,0]=4 16169 B17R2.5300 Clc1cccc(c1)NCc2cccc(c2)I 270302a_100000185859_100000014684 [0,2,0,0,0,0|2,0,0]=4 16170 B17R2.5300 Clc1cccc(c1)NCc2cccc(c2)I 34a_100000185859_100011218688 [0,2,0,0,0,0|2,0,0]=4 16171 B17R2.5300 Clc1cccc(c1)OCc2cccc(c2)Br 34a_100000210295_100000698116 [0,2,0,0,0,0|1,1,0]=4 16172 B17R2.5300 Clc1cccc(c1)OCc2cccc(c2)Br 7a_100000210295_100000211773 [0,2,0,0,0,0|1,1,0]=4 16173 B17R2.5300 Clc1cccc(c1)OCc2cccc(c2)I 34a_100000210295_100011218688 [0,2,0,0,0,0|1,1,0]=4 16174 B17R2.5300 Clc1cccc(c1)OCc2cccc(c2)I 7a_100000210295_100011218688 [0,2,0,0,0,0|1,1,0]=4 16175 B17R2.5300 Clc1cccc(c1)SCc2cc(ccn2)Br 62a_100000699651_100010173614 [0,2,0,0,0,0|2,0,0]=4 16176 B17R2.5300 Clc1cccc(c1)SCc2cc(ccn2)Br 62a_100010173614_100000699651 [0,2,0,0,0,0|2,0,0]=4 16177 B17R2.5300 Clc1cccc(c1)SCc2cc(ccn2)Cl 62a_100000699651_100016988179 [0,2,0,0,0,0|2,0,0]=4 16178 B17R2.5300 Clc1cccc(c1)SCc2cc(ccn2)Cl 62a_100016988179_100000699651 [0,2,0,0,0,0|2,0,0]=4 16179 B17R2.5300 Clc1cccc(c1)SCc2cccc(c2)Br 62a_100000211773_100000699651 [0,2,0,0,0,0|1,0,0]=3 16180 B17R2.5300 Clc1cccc(c1)SCc2cccc(c2)Br 62a_100000699651_100000211773 [0,2,0,0,0,0|1,0,0]=3 16181 B17R2.5300 Clc1cccc(c1)SCc2cccc(c2)I 62a_100000699651_100011218688 [0,2,0,0,0,0|1,0,0]=3 16182 B17R2.5300 Clc1cccc(c1)SCc2cccc(c2)I 62a_100011218688_100000699651 [0,2,0,0,0,0|1,0,0]=3 16183 B17R2.5300 Clc1cccc(c1)SCc2cccc(n2)Br 62a_100000699651_100009889011 [0,2,0,0,0,0|2,0,0]=4 16184 B17R2.5300 Clc1cccc(c1)SCc2cccc(n2)Br 62a_100009889011_100000699651 [0,2,0,0,0,0|2,0,0]=4 16185 B17R2.5300 Clc1cccc(c1)SCc2cccc(n2)Cl 62a_100000086093_100000699651 [0,2,0,0,0,0|2,0,0]=4 16186 B17R2.5300 Clc1cccc(c1)SCc2cccc(n2)Cl 62a_100000699651_100000086093 [0,2,0,0,0,0|2,0,0]=4 16187 B17R2.5300 Clc1cccc(c1)SCc2ccnc(c2)Br 62a_100000699651_100010243470 [0,2,0,0,0,0|2,0,0]=4 16188 B17R2.5300 Clc1cccc(c1)SCc2ccnc(c2)Br 62a_100010254460_100000699651 [0,2,0,0,0,0|2,0,0]=4 16189 B17R2.5300 Clc1cccc(c1)SCc2ccnc(c2)Cl 62a_100000699651_100000764220 [0,2,0,0,0,0|2,0,0]=4 16190 B17R2.5300 Clc1cccc(c1)SCc2ccnc(c2)Cl 62a_100000764220_100000699651 [0,2,0,0,0,0|2,0,0]=4 16191 B17R2.5300 Clc1cccc(c1)SCc2cncc(c2)Br 62a_100000699651_100000738771 [0,2,0,0,0,0|2,0,0]=4 16192 B17R2.5300 Clc1cccc(c1)SCc2cncc(c2)Br 62a_100000738771_100000699651 [0,2,0,0,0,0|2,0,0]=4 16193 B17R2.5300 Clc1cccc(n1)CSc2cccc(c2)Br 62a_100000086093_100000691529 [0,2,0,0,0,0|2,0,0]=4 16194 B17R2.5300 Clc1cccc(n1)CSc2cccc(c2)Br 62a_100000691529_100000086093 [0,2,0,0,0,0|2,0,0]=4 16195 B17R2.5300 Clc1cccc(n1)SCc2cccc(c2)Br 62a_100000051397_100000211773 [0,2,0,0,0,0|2,0,0]=4 16196 B17R2.5300 Clc1cccc(n1)SCc2cccc(c2)Br 62a_100000211773_100000051397 [0,2,0,0,0,0|2,0,0]=4 16197 B17R2.5300 Clc1cccc(n1)SCc2cccc(c2)I 62a_100000051397_100011218688 [0,2,0,0,0,0|2,0,0]=4 16198 B17R2.5300 Clc1cccc(n1)SCc2cccc(c2)I 62a_100011218688_100000051397 [0,2,0,0,0,0|2,0,0]=4 16199 B17R2.5300 Clc1ccnc(c1)CSc2cccc(c2)Br 62a_100000691529_100016988179 [0,2,0,0,0,0|2,0,0]=4 16200 B17R2.5300 Clc1ccnc(c1)CSc2cccc(c2)Br 62a_100016988179_100000691529 [0,2,0,0,0,0|2,0,0]=4 16201 B17R2.5300 Clc1ccnc(c1)SCc2cccc(c2)Br 62a_100000211773_100010167805 [0,2,0,0,0,0|2,0,0]=4 16202 B17R2.5300 Clc1ccnc(c1)SCc2cccc(c2)Br 62a_100010167805_100000211773 [0,2,0,0,0,0|2,0,0]=4 16203 B17R2.5300 Clc1ccnc(c1)SCc2cccc(c2)I 62a_100010167805_100011218688 [0,2,0,0,0,0|2,0,0]=4 16204 B17R2.5300 Clc1ccnc(c1)SCc2cccc(c2)I 62a_100011218688_100010167805 [0,2,0,0,0,0|2,0,0]=4 16205 B17R2.5300 Clc1cncc(c1)CSc2cccc(c2)Br 62a_100000691529_100016992070 [0,2,0,0,0,0|2,0,0]=4 16206 B17R2.5300 Clc1cncc(c1)CSc2cccc(c2)Br 62a_100016992070_100000691529 [0,2,0,0,0,0|2,0,0]=4 16207 B17R2.5300 Clc1cncc(c1)CSc2cccc(c2)Cl 62a_100000699651_100016992070 [0,2,0,0,0,0|2,0,0]=4 16208 B17R2.5300 Clc1cncc(c1)CSc2cccc(c2)Cl 62a_100016992070_100000699651 [0,2,0,0,0,0|2,0,0]=4 16209 B17R2.5300 Clc1cncc(c1)SCc2cccc(c2)Br 62a_100000049639_100000211773 [0,2,0,0,0,0|2,0,0]=4 16210 B17R2.5300 Clc1cncc(c1)SCc2cccc(c2)Br 62a_100000211773_100000049639 [0,2,0,0,0,0|2,0,0]=4 16211 B17R2.5300 Clc1cncc(c1)SCc2cccc(c2)I 62a_100000049639_100011218688 [0,2,0,0,0,0|2,0,0]=4 16212 B17R2.5300 Clc1cncc(c1)SCc2cccc(c2)I 62a_100011218688_100000049639 [0,2,0,0,0,0|2,0,0]=4 16213 B17R2.5300 Fc1cc(ccn1)SCc2cccc(c2)Br 62a_100000211773_100009816116 [0,2,0,0,0,0|2,0,0]=4 16214 B17R2.5300 Fc1cc(ccn1)SCc2cccc(c2)Br 62a_100009816116_100000211773 [0,2,0,0,0,0|2,0,0]=4 16215 B17R2.5300 Fc1cc(ccn1)SCc2cccc(c2)Cl 62a_100000187163_100009816116 [0,2,0,0,0,0|2,0,0]=4 16216 B17R2.5300 Fc1cc(ccn1)SCc2cccc(c2)Cl 62a_100009816116_100000187163 [0,2,0,0,0,0|2,0,0]=4 16217 B17R2.5300 Fc1cc(ccn1)SCc2cccc(c2)I 62a_100009816116_100011218688 [0,2,0,0,0,0|2,0,0]=4 16218 B17R2.5300 Fc1cc(ccn1)SCc2cccc(c2)I 62a_100011218688_100009816116 [0,2,0,0,0,0|2,0,0]=4 16219 B17R2.5300 Fc1cccc(c1)C=Cc2cccc(c2)Br 271570a_100102525537_100000691529 [0,2,0,0,0,0|2,0,0]=4 16220 B17R2.5300 Fc1cccc(c1)C=Cc2cccc(c2)Cl 271570a_100102525537_100000699651 [0,2,0,0,0,0|2,0,0]=4 16221 B17R2.5300 Fc1cccc(c1)C=Cc2cccc(c2)Cl 271570a_100102525933_100000685547 [0,2,0,0,0,0|2,0,0]=4 16222 B17R2.5300 Fc1cccc(c1)C=Cc2cccc(c2)F 271570a_100102525537_100000685547 [0,2,0,0,0,0|2,0,0]=4 16223 B17R2.5300 Fc1cccc(c1)C=Cc2cccc(c2)[S] 271570a_100102525537_114929384022 [0,2,0,0,0,0|2,0,0]=4 16224 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)Br 207a_100000210019_100000210812 [0,2,0,0,0,0|2,0,0]=4 16225 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)Br 270302a_100000210019_100000210812 [0,2,0,0,0,0|2,0,0]=4 16226 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)Br 34a_100000210019_100000187166 [0,2,0,0,0,0|2,0,0]=4 16227 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)Cl 207a_100000185859_100000210812 [0,2,0,0,0,0|2,0,0]=4 16228 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)Cl 270302a_100000185859_100000210812 [0,2,0,0,0,0|2,0,0]=4 16229 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)Cl 34a_100000185859_100000187166 [0,2,0,0,0,0|2,0,0]=4 16230 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)F 207a_100000210047_100000210812 [0,2,0,0,0,0|2,0,0]=4 16231 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)F 270302a_100000210047_100000210812 [0,2,0,0,0,0|2,0,0]=4 16232 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)F 34a_100000210047_100000187166 [0,2,0,0,0,0|2,0,0]=4 16233 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)I 207a_100000211102_100000210812 [0,2,0,0,0,0|2,0,0]=4 16234 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)I 270302a_100000211102_100000210812 [0,2,0,0,0,0|2,0,0]=4 16235 B17R2.5300 Fc1cccc(c1)CNc2cccc(c2)I 34a_100000211102_100000187166 [0,2,0,0,0,0|2,0,0]=4 16236 B17R2.5300 Fc1cccc(c1)COc2cccc(c2)Br 34a_100000210342_100000187166 [0,2,0,0,0,0|1,1,0]=4 16237 B17R2.5300 Fc1cccc(c1)COc2cccc(c2)Br 7a_100000210342_100000230114 [0,2,0,0,0,0|1,1,0]=4 16238 B17R2.5300 Fc1cccc(c1)COc2cccc(c2)Cl 34a_100000210295_100000187166 [0,2,0,0,0,0|1,1,0]=4 16239 B17R2.5300 Fc1cccc(c1)COc2cccc(c2)Cl 7a_100000210295_100000230114 [0,2,0,0,0,0|1,1,0]=4 16240 B17R2.5300 Fc1cccc(c1)COc2cccc(c2)F 34a_100000210426_100000187166 [0,2,0,0,0,0|1,1,0]=4 16241 B17R2.5300 Fc1cccc(c1)COc2cccc(c2)F 7a_100000210426_100000230114 [0,2,0,0,0,0|1,1,0]=4 16242 B17R2.5300 Fc1cccc(c1)COc2cccc(c2)I 34a_100000211634_100000187166 [0,2,0,0,0,0|1,1,0]=4 16243 B17R2.5300 Fc1cccc(c1)COc2cccc(c2)I 7a_100000211634_100000230114 [0,2,0,0,0,0|1,1,0]=4 16244 B17R2.5300 Fc1cccc(c1)CSc2cc(ccn2)Cl 62a_100000230114_100010167805 [0,2,0,0,0,0|2,0,0]=4 16245 B17R2.5300 Fc1cccc(c1)CSc2cc(ccn2)Cl 62a_100010167805_100000230114 [0,2,0,0,0,0|2,0,0]=4 16246 B17R2.5300 Fc1cccc(c1)CSc2cc(ccn2)F 62a_100000230114_100000764206 [0,2,0,0,0,0|2,0,0]=4 16247 B17R2.5300 Fc1cccc(c1)CSc2cc(ccn2)F 62a_100000764206_100000230114 [0,2,0,0,0,0|2,0,0]=4 16248 B17R2.5300 Fc1cccc(c1)CSc2cccc(c2)Br 62a_100000230114_100000691529 [0,2,0,0,0,0|1,0,0]=3 16249 B17R2.5300 Fc1cccc(c1)CSc2cccc(c2)Br 62a_100000691529_100000230114 [0,2,0,0,0,0|1,0,0]=3 16250 B17R2.5300 Fc1cccc(c1)CSc2cccc(c2)Cl 62a_100000230114_100000699651 [0,2,0,0,0,0|1,0,0]=3 16251 B17R2.5300 Fc1cccc(c1)CSc2cccc(c2)Cl 62a_100000699651_100000230114 [0,2,0,0,0,0|1,0,0]=3 16252 B17R2.5300 Fc1cccc(c1)CSc2cccc(c2)F 62a_100000230114_100000685547 [0,2,0,0,0,0|1,0,0]=3 16253 B17R2.5300 Fc1cccc(c1)CSc2cccc(c2)F 62a_100000685547_100000230114 [0,2,0,0,0,0|1,0,0]=3 16254 B17R2.5300 Fc1cccc(c1)CSc2cccc(c2)[S] 62a_100000230114_114929384022 [0,2,0,0,0,0|1,0,0]=3 16255 B17R2.5300 Fc1cccc(c1)CSc2cccc(c2)[S] 62a_114929384022_100000230114 [0,2,0,0,0,0|1,0,0]=3 16256 B17R2.5300 Fc1cccc(c1)CSc2cccc(n2)Br 62a_100000230114_100000684672 [0,2,0,0,0,0|2,0,0]=4 16257 B17R2.5300 Fc1cccc(c1)CSc2cccc(n2)Br 62a_100000684672_100000230114 [0,2,0,0,0,0|2,0,0]=4 16258 B17R2.5300 Fc1cccc(c1)CSc2cccc(n2)Cl 62a_100000051397_100000230114 [0,2,0,0,0,0|2,0,0]=4 16259 B17R2.5300 Fc1cccc(c1)CSc2cccc(n2)Cl 62a_100000230114_100000051397 [0,2,0,0,0,0|2,0,0]=4 16260 B17R2.5300 Fc1cccc(c1)CSc2cccc(n2)F 62a_100000230114_100009815982 [0,2,0,0,0,0|2,0,0]=4 16261 B17R2.5300 Fc1cccc(c1)CSc2cccc(n2)F 62a_100009815982_100000230114 [0,2,0,0,0,0|2,0,0]=4 16262 B17R2.5300 Fc1cccc(c1)CSc2ccnc(c2)Br 62a_100000230114_100009814637 [0,2,0,0,0,0|2,0,0]=4 16263 B17R2.5300 Fc1cccc(c1)CSc2ccnc(c2)Br 62a_100009814637_100000230114 [0,2,0,0,0,0|2,0,0]=4 16264 B17R2.5300 Fc1cccc(c1)CSc2ccnc(c2)Cl 62a_100000035001_100000230114 [0,2,0,0,0,0|2,0,0]=4 16265 B17R2.5300 Fc1cccc(c1)CSc2ccnc(c2)Cl 62a_100000230114_100000035001 [0,2,0,0,0,0|2,0,0]=4 16266 B17R2.5300 Fc1cccc(c1)CSc2ccnc(c2)F 62a_100000230114_100009816116 [0,2,0,0,0,0|2,0,0]=4 16267 B17R2.5300 Fc1cccc(c1)CSc2ccnc(c2)F 62a_100009816116_100000230114 [0,2,0,0,0,0|2,0,0]=4 16268 B17R2.5300 Fc1cccc(c1)CSc2cncc(c2)Br 62a_100000230114_100000728054 [0,2,0,0,0,0|2,0,0]=4 16269 B17R2.5300 Fc1cccc(c1)CSc2cncc(c2)Br 62a_100000728054_100000230114 [0,2,0,0,0,0|2,0,0]=4 16270 B17R2.5300 Fc1cccc(c1)CSc2cncc(c2)Cl 62a_100000049639_100000230114 [0,2,0,0,0,0|2,0,0]=4 16271 B17R2.5300 Fc1cccc(c1)CSc2cncc(c2)Cl 62a_100000230114_100000049639 [0,2,0,0,0,0|2,0,0]=4 16272 B17R2.5300 Fc1cccc(c1)CSc2cncc(c2)F 62a_100000230114_100000744099 [0,2,0,0,0,0|2,0,0]=4 16273 B17R2.5300 Fc1cccc(c1)CSc2cncc(c2)F 62a_100000744099_100000230114 [0,2,0,0,0,0|2,0,0]=4 16274 B17R2.5300 Fc1cccc(c1)NCc2cccc(c2)Br 207a_100000210047_100000210085 [0,2,0,0,0,0|2,0,0]=4 16275 B17R2.5300 Fc1cccc(c1)NCc2cccc(c2)Br 270302a_100000210047_100000210085 [0,2,0,0,0,0|2,0,0]=4 16276 B17R2.5300 Fc1cccc(c1)NCc2cccc(c2)Br 34a_100000210047_100000698116 [0,2,0,0,0,0|2,0,0]=4 16277 B17R2.5300 Fc1cccc(c1)NCc2cccc(c2)Cl 207a_100000210047_100000210801 [0,2,0,0,0,0|2,0,0]=4 16278 B17R2.5300 Fc1cccc(c1)NCc2cccc(c2)Cl 270302a_100000210047_100000210801 [0,2,0,0,0,0|2,0,0]=4 16279 B17R2.5300 Fc1cccc(c1)NCc2cccc(c2)Cl 34a_100000210047_100000187163 [0,2,0,0,0,0|2,0,0]=4 16280 B17R2.5300 Fc1cccc(c1)NCc2cccc(c2)I 207a_100000210047_100000014684 [0,2,0,0,0,0|2,0,0]=4 16281 B17R2.5300 Fc1cccc(c1)NCc2cccc(c2)I 270302a_100000210047_100000014684 [0,2,0,0,0,0|2,0,0]=4 16282 B17R2.5300 Fc1cccc(c1)NCc2cccc(c2)I 34a_100000210047_100011218688 [0,2,0,0,0,0|2,0,0]=4 16283 B17R2.5300 Fc1cccc(c1)OCc2cccc(c2)Br 34a_100000210426_100000698116 [0,2,0,0,0,0|1,1,0]=4 16284 B17R2.5300 Fc1cccc(c1)OCc2cccc(c2)Br 7a_100000210426_100000211773 [0,2,0,0,0,0|1,1,0]=4 16285 B17R2.5300 Fc1cccc(c1)OCc2cccc(c2)Cl 34a_100000210426_100000187163 [0,2,0,0,0,0|1,1,0]=4 16286 B17R2.5300 Fc1cccc(c1)OCc2cccc(c2)Cl 7a_100000210426_100000187163 [0,2,0,0,0,0|1,1,0]=4 16287 B17R2.5300 Fc1cccc(c1)OCc2cccc(c2)I 34a_100000210426_100011218688 [0,2,0,0,0,0|1,1,0]=4 16288 B17R2.5300 Fc1cccc(c1)OCc2cccc(c2)I 7a_100000210426_100011218688 [0,2,0,0,0,0|1,1,0]=4 16289 B17R2.5300 Fc1cccc(c1)SCc2cc(ccn2)Br 62a_100000685547_100010173614 [0,2,0,0,0,0|2,0,0]=4 16290 B17R2.5300 Fc1cccc(c1)SCc2cc(ccn2)Br 62a_100010173614_100000685547 [0,2,0,0,0,0|2,0,0]=4 16291 B17R2.5300 Fc1cccc(c1)SCc2cc(ccn2)Cl 62a_100000685547_100016988179 [0,2,0,0,0,0|2,0,0]=4 16292 B17R2.5300 Fc1cccc(c1)SCc2cc(ccn2)Cl 62a_100016988179_100000685547 [0,2,0,0,0,0|2,0,0]=4 16293 B17R2.5300 Fc1cccc(c1)SCc2cccc(c2)Br 62a_100000211773_100000685547 [0,2,0,0,0,0|1,0,0]=3 16294 B17R2.5300 Fc1cccc(c1)SCc2cccc(c2)Br 62a_100000685547_100000211773 [0,2,0,0,0,0|1,0,0]=3 16295 B17R2.5300 Fc1cccc(c1)SCc2cccc(c2)Cl 62a_100000187163_100000685547 [0,2,0,0,0,0|1,0,0]=3 16296 B17R2.5300 Fc1cccc(c1)SCc2cccc(c2)Cl 62a_100000685547_100000187163 [0,2,0,0,0,0|1,0,0]=3 16297 B17R2.5300 Fc1cccc(c1)SCc2cccc(c2)I 62a_100000685547_100011218688 [0,2,0,0,0,0|1,0,0]=3 16298 B17R2.5300 Fc1cccc(c1)SCc2cccc(c2)I 62a_100011218688_100000685547 [0,2,0,0,0,0|1,0,0]=3 16299 B17R2.5300 Fc1cccc(c1)SCc2cccc(n2)Br 62a_100000685547_100009889011 [0,2,0,0,0,0|2,0,0]=4 16300 B17R2.5300 Fc1cccc(c1)SCc2cccc(n2)Br 62a_100009889011_100000685547 [0,2,0,0,0,0|2,0,0]=4 16301 B17R2.5300 Fc1cccc(c1)SCc2cccc(n2)Cl 62a_100000086093_100000685547 [0,2,0,0,0,0|2,0,0]=4 16302 B17R2.5300 Fc1cccc(c1)SCc2cccc(n2)Cl 62a_100000685547_100000086093 [0,2,0,0,0,0|2,0,0]=4 16303 B17R2.5300 Fc1cccc(c1)SCc2cccc(n2)F 62a_100000685547_100009819644 [0,2,0,0,0,0|2,0,0]=4 16304 B17R2.5300 Fc1cccc(c1)SCc2cccc(n2)F 62a_100009819644_100000685547 [0,2,0,0,0,0|2,0,0]=4 16305 B17R2.5300 Fc1cccc(c1)SCc2ccnc(c2)Br 62a_100000685547_100010243470 [0,2,0,0,0,0|2,0,0]=4 16306 B17R2.5300 Fc1cccc(c1)SCc2ccnc(c2)Br 62a_100010254460_100000685547 [0,2,0,0,0,0|2,0,0]=4 16307 B17R2.5300 Fc1cccc(c1)SCc2ccnc(c2)Cl 62a_100000685547_100000764220 [0,2,0,0,0,0|2,0,0]=4 16308 B17R2.5300 Fc1cccc(c1)SCc2ccnc(c2)Cl 62a_100000764220_100000685547 [0,2,0,0,0,0|2,0,0]=4 16309 B17R2.5300 Fc1cccc(c1)SCc2cncc(c2)Br 62a_100000685547_100000738771 [0,2,0,0,0,0|2,0,0]=4 16310 B17R2.5300 Fc1cccc(c1)SCc2cncc(c2)Br 62a_100000738771_100000685547 [0,2,0,0,0,0|2,0,0]=4 16311 B17R2.5300 Fc1cccc(c1)SCc2cncc(c2)Cl 62a_100000685547_100016992070 [0,2,0,0,0,0|2,0,0]=4 16312 B17R2.5300 Fc1cccc(c1)SCc2cncc(c2)Cl 62a_100016992070_100000685547 [0,2,0,0,0,0|2,0,0]=4 16313 B17R2.5300 Fc1cccc(n1)CSc2cccc(c2)Br 62a_100000691529_100009819644 [0,2,0,0,0,0|2,0,0]=4 16314 B17R2.5300 Fc1cccc(n1)CSc2cccc(c2)Br 62a_100009819644_100000691529 [0,2,0,0,0,0|2,0,0]=4 16315 B17R2.5300 Fc1cccc(n1)CSc2cccc(c2)Cl 62a_100000699651_100009819644 [0,2,0,0,0,0|2,0,0]=4 16316 B17R2.5300 Fc1cccc(n1)CSc2cccc(c2)Cl 62a_100009819644_100000699651 [0,2,0,0,0,0|2,0,0]=4 16317 B17R2.5300 Fc1cccc(n1)CSc2cccc(c2)[S] 62a_100009819644_114929384022 [0,2,0,0,0,0|2,0,0]=4 16318 B17R2.5300 Fc1cccc(n1)CSc2cccc(c2)[S] 62a_114929384022_100009819644 [0,2,0,0,0,0|2,0,0]=4 16319 B17R2.5300 Fc1cccc(n1)SCc2cccc(c2)Br 62a_100000211773_100009815982 [0,2,0,0,0,0|2,0,0]=4 16320 B17R2.5300 Fc1cccc(n1)SCc2cccc(c2)Br 62a_100009815982_100000211773 [0,2,0,0,0,0|2,0,0]=4 16321 B17R2.5300 Fc1cccc(n1)SCc2cccc(c2)Cl 62a_100000187163_100009815982 [0,2,0,0,0,0|2,0,0]=4 16322 B17R2.5300 Fc1cccc(n1)SCc2cccc(c2)Cl 62a_100009815982_100000187163 [0,2,0,0,0,0|2,0,0]=4 16323 B17R2.5300 Fc1cccc(n1)SCc2cccc(c2)I 62a_100009815982_100011218688 [0,2,0,0,0,0|2,0,0]=4 16324 B17R2.5300 Fc1cccc(n1)SCc2cccc(c2)I 62a_100011218688_100009815982 [0,2,0,0,0,0|2,0,0]=4 16325 B17R2.5300 Fc1ccnc(c1)SCc2cccc(c2)Br 62a_100000211773_100000764206 [0,2,0,0,0,0|2,0,0]=4 16326 B17R2.5300 Fc1ccnc(c1)SCc2cccc(c2)Br 62a_100000764206_100000211773 [0,2,0,0,0,0|2,0,0]=4 16327 B17R2.5300 Fc1ccnc(c1)SCc2cccc(c2)Cl 62a_100000187163_100000764206 [0,2,0,0,0,0|2,0,0]=4 16328 B17R2.5300 Fc1ccnc(c1)SCc2cccc(c2)Cl 62a_100000764206_100000187163 [0,2,0,0,0,0|2,0,0]=4 16329 B17R2.5300 Fc1ccnc(c1)SCc2cccc(c2)I 62a_100000764206_100011218688 [0,2,0,0,0,0|2,0,0]=4 16330 B17R2.5300 Fc1ccnc(c1)SCc2cccc(c2)I 62a_100011218688_100000764206 [0,2,0,0,0,0|2,0,0]=4 16331 B17R2.5300 Fc1cncc(c1)CSc2cccc(c2)Br 62a_100000691529_100000725299 [0,2,0,0,0,0|2,0,0]=4 16332 B17R2.5300 Fc1cncc(c1)CSc2cccc(c2)Br 62a_100000725299_100000691529 [0,2,0,0,0,0|2,0,0]=4 16333 B17R2.5300 Fc1cncc(c1)CSc2cccc(c2)Cl 62a_100000699651_100000725299 [0,2,0,0,0,0|2,0,0]=4 16334 B17R2.5300 Fc1cncc(c1)CSc2cccc(c2)Cl 62a_100000725299_100000699651 [0,2,0,0,0,0|2,0,0]=4 16335 B17R2.5300 Fc1cncc(c1)CSc2cccc(c2)F 62a_100000685547_100000725299 [0,2,0,0,0,0|2,0,0]=4 16336 B17R2.5300 Fc1cncc(c1)CSc2cccc(c2)F 62a_100000725299_100000685547 [0,2,0,0,0,0|2,0,0]=4 16337 B17R2.5300 Fc1cncc(c1)CSc2cccc(c2)[S] 62a_100000725299_114929384022 [0,2,0,0,0,0|2,0,0]=4 16338 B17R2.5300 Fc1cncc(c1)CSc2cccc(c2)[S] 62a_114929384022_100000725299 [0,2,0,0,0,0|2,0,0]=4 16339 B17R2.5300 Fc1cncc(c1)SCc2cccc(c2)Br 62a_100000211773_100000744099 [0,2,0,0,0,0|2,0,0]=4 16340 B17R2.5300 Fc1cncc(c1)SCc2cccc(c2)Br 62a_100000744099_100000211773 [0,2,0,0,0,0|2,0,0]=4 16341 B17R2.5300 Fc1cncc(c1)SCc2cccc(c2)Cl 62a_100000187163_100000744099 [0,2,0,0,0,0|2,0,0]=4 16342 B17R2.5300 Fc1cncc(c1)SCc2cccc(c2)Cl 62a_100000744099_100000187163 [0,2,0,0,0,0|2,0,0]=4 16343 B17R2.5300 Fc1cncc(c1)SCc2cccc(c2)I 62a_100000744099_100011218688 [0,2,0,0,0,0|2,0,0]=4 16344 B17R2.5300 Fc1cncc(c1)SCc2cccc(c2)I 62a_100011218688_100000744099 [0,2,0,0,0,0|2,0,0]=4 16345 B17R2.5300 Ic1cccc(c1)CNc2cccc(c2)I 207a_100000211102_100000014684 [0,2,0,0,0,0|2,0,0]=4 16346 B17R2.5300 Ic1cccc(c1)CNc2cccc(c2)I 270302a_100000211102_100000014684 [0,2,0,0,0,0|2,0,0]=4 16347 B17R2.5300 Ic1cccc(c1)CNc2cccc(c2)I 34a_100000211102_100011218688 [0,2,0,0,0,0|2,0,0]=4 16348 B17R2.5300 Ic1cccc(c1)COc2cccc(c2)I 34a_100000211634_100011218688 [0,2,0,0,0,0|1,1,0]=4 16349 B17R2.5300 Ic1cccc(c1)COc2cccc(c2)I 7a_100000211634_100011218688 [0,2,0,0,0,0|1,1,0]=4 16350 B17R2.5300 Nc1cc(ccn1)SCc2cccc(c2)Br 62a_100000049665_100000211773 [0,2,0,0,0,0|2,0,0]=4 16351 B17R2.5300 Nc1cc(ccn1)SCc2cccc(c2)Br 62a_100000211773_100000049665 [0,2,0,0,0,0|2,0,0]=4 16352 B17R2.5300 Nc1cc(ccn1)SCc2cccc(c2)Cl 62a_100000049665_100000187163 [0,2,0,0,0,0|2,0,0]=4 16353 B17R2.5300 Nc1cc(ccn1)SCc2cccc(c2)Cl 62a_100000187163_100000049665 [0,2,0,0,0,0|2,0,0]=4 16354 B17R2.5300 Nc1cc(ccn1)SCc2cccc(c2)F 62a_100000049665_100000230114 [0,2,0,0,0,0|2,0,0]=4 16355 B17R2.5300 Nc1cc(ccn1)SCc2cccc(c2)F 62a_100000230114_100000049665 [0,2,0,0,0,0|2,0,0]=4 16356 B17R2.5300 Nc1cc(ccn1)SCc2cccc(c2)I 62a_100000049665_100011218688 [0,2,0,0,0,0|2,0,0]=4 16357 B17R2.5300 Nc1cc(ccn1)SCc2cccc(c2)I 62a_100011218688_100000049665 [0,2,0,0,0,0|2,0,0]=4 16358 B17R2.5300 Nc1cc(ccn1)SCc2cccc(c2)O 62a_100000049665_100011660834 [0,2,0,0,0,0|2,0,0]=4 16359 B17R2.5300 Nc1cc(ccn1)SCc2cccc(c2)O 62a_100011660834_100000049665 [0,2,0,0,0,0|2,0,0]=4 16360 B17R2.5300 Nc1cccc(c1)C=Cc2cccc(c2)Cl 271570a_100102525933_100000210019 [0,2,0,0,0,0|2,0,0]=4 16361 B17R2.5300 Nc1cccc(c1)C=Cc2cccc(c2)F 271570a_100102525537_100000210019 [0,2,0,0,0,0|2,0,0]=4 16362 B17R2.5300 Nc1cccc(c1)OCc2cccc(c2)Br 34a_100000210217_100000698116 [0,2,0,0,0,0|1,1,0]=4 16363 B17R2.5300 Nc1cccc(c1)OCc2cccc(c2)Cl 34a_100000210217_100000187163 [0,2,0,0,0,0|1,1,0]=4 16364 B17R2.5300 Nc1cccc(c1)OCc2cccc(c2)F 34a_100000210217_100000187166 [0,2,0,0,0,0|1,1,0]=4 16365 B17R2.5300 Nc1cccc(c1)OCc2cccc(c2)I 34a_100000210217_100011218688 [0,2,0,0,0,0|1,1,0]=4 16366 B17R2.5300 Nc1cccc(c1)OCc2cccc(c2)O 34a_100000210217_100011660834 [0,2,0,0,0,0|1,1,0]=4 16367 B17R2.5300 Nc1cccc(c1)SCc2cc(ccn2)Br 62a_100000210019_100010173614 [0,2,0,0,0,0|2,0,0]=4 16368 B17R2.5300 Nc1cccc(c1)SCc2cc(ccn2)Br 62a_100010173614_100000210019 [0,2,0,0,0,0|2,0,0]=4 16369 B17R2.5300 Nc1cccc(c1)SCc2cc(ccn2)Cl 62a_100000210019_100016988179 [0,2,0,0,0,0|2,0,0]=4 16370 B17R2.5300 Nc1cccc(c1)SCc2cc(ccn2)Cl 62a_100016988179_100000210019 [0,2,0,0,0,0|2,0,0]=4 16371 B17R2.5300 Nc1cccc(c1)SCc2cccc(c2)Br 62a_100000210019_100000211773 [0,2,0,0,0,0|1,0,0]=3 16372 B17R2.5300 Nc1cccc(c1)SCc2cccc(c2)Br 62a_100000211773_100000210019 [0,2,0,0,0,0|1,0,0]=3 16373 B17R2.5300 Nc1cccc(c1)SCc2cccc(c2)Cl 62a_100000187163_100000210019 [0,2,0,0,0,0|1,0,0]=3 16374 B17R2.5300 Nc1cccc(c1)SCc2cccc(c2)Cl 62a_100000210019_100000187163 [0,2,0,0,0,0|1,0,0]=3 16375 B17R2.5300 Nc1cccc(c1)SCc2cccc(c2)F 62a_100000210019_100000230114 [0,2,0,0,0,0|1,0,0]=3 16376 B17R2.5300 Nc1cccc(c1)SCc2cccc(c2)F 62a_100000230114_100000210019 [0,2,0,0,0,0|1,0,0]=3 16377 B17R2.5300 Nc1cccc(c1)SCc2cccc(c2)I 62a_100000210019_100011218688 [0,2,0,0,0,0|1,0,0]=3 16378 B17R2.5300 Nc1cccc(c1)SCc2cccc(c2)I 62a_100011218688_100000210019 [0,2,0,0,0,0|1,0,0]=3 16379 B17R2.5300 Nc1cccc(c1)SCc2cccc(c2)O 62a_100000210019_100011660834 [0,2,0,0,0,0|1,0,0]=3 16380 B17R2.5300 Nc1cccc(c1)SCc2cccc(c2)O 62a_100011660834_100000210019 [0,2,0,0,0,0|1,0,0]=3 16381 B17R2.5300 Nc1cccc(c1)SCc2cccc(n2)Br 62a_100000210019_100009889011 [0,2,0,0,0,0|2,0,0]=4 16382 B17R2.5300 Nc1cccc(c1)SCc2cccc(n2)Br 62a_100009889011_100000210019 [0,2,0,0,0,0|2,0,0]=4 16383 B17R2.5300 Nc1cccc(c1)SCc2cccc(n2)Cl 62a_100000086093_100000210019 [0,2,0,0,0,0|2,0,0]=4 16384 B17R2.5300 Nc1cccc(c1)SCc2cccc(n2)Cl 62a_100000210019_100000086093 [0,2,0,0,0,0|2,0,0]=4 16385 B17R2.5300 Nc1cccc(c1)SCc2cccc(n2)F 62a_100000210019_100009819644 [0,2,0,0,0,0|2,0,0]=4 16386 B17R2.5300 Nc1cccc(c1)SCc2cccc(n2)F 62a_100009819644_100000210019 [0,2,0,0,0,0|2,0,0]=4 16387 B17R2.5300 Nc1cccc(c1)SCc2ccnc(c2)Br 62a_100000210019_100010243470 [0,2,0,0,0,0|2,0,0]=4 16388 B17R2.5300 Nc1cccc(c1)SCc2ccnc(c2)Br 62a_100010254460_100000210019 [0,2,0,0,0,0|2,0,0]=4 16389 B17R2.5300 Nc1cccc(c1)SCc2ccnc(c2)Cl 62a_100000210019_100000764220 [0,2,0,0,0,0|2,0,0]=4 16390 B17R2.5300 Nc1cccc(c1)SCc2ccnc(c2)Cl 62a_100000764220_100000210019 [0,2,0,0,0,0|2,0,0]=4 16391 B17R2.5300 Nc1cccc(c1)SCc2cncc(c2)Br 62a_100000210019_100000738771 [0,2,0,0,0,0|2,0,0]=4 16392 B17R2.5300 Nc1cccc(c1)SCc2cncc(c2)Br 62a_100000738771_100000210019 [0,2,0,0,0,0|2,0,0]=4 16393 B17R2.5300 Nc1cccc(c1)SCc2cncc(c2)Cl 62a_100000210019_100016992070 [0,2,0,0,0,0|2,0,0]=4 16394 B17R2.5300 Nc1cccc(c1)SCc2cncc(c2)Cl 62a_100016992070_100000210019 [0,2,0,0,0,0|2,0,0]=4 16395 B17R2.5300 Nc1cccc(c1)SCc2cncc(c2)F 62a_100000210019_100000725299 [0,2,0,0,0,0|2,0,0]=4 16396 B17R2.5300 Nc1cccc(c1)SCc2cncc(c2)F 62a_100000725299_100000210019 [0,2,0,0,0,0|2,0,0]=4 16397 B17R2.5300 Nc1cccc(n1)SCc2cccc(c2)Br 62a_100000211773_100000740741 [0,2,0,0,0,0|2,0,0]=4 16398 B17R2.5300 Nc1cccc(n1)SCc2cccc(c2)Br 62a_100000740741_100000211773 [0,2,0,0,0,0|2,0,0]=4 16399 B17R2.5300 Nc1cccc(n1)SCc2cccc(c2)Cl 62a_100000187163_100000740741 [0,2,0,0,0,0|2,0,0]=4 16400 B17R2.5300 Nc1cccc(n1)SCc2cccc(c2)Cl 62a_100000740741_100000187163 [0,2,0,0,0,0|2,0,0]=4 16401 B17R2.5300 Nc1cccc(n1)SCc2cccc(c2)F 62a_100000230114_100000740741 [0,2,0,0,0,0|2,0,0]=4 16402 B17R2.5300 Nc1cccc(n1)SCc2cccc(c2)F 62a_100000740741_100000230114 [0,2,0,0,0,0|2,0,0]=4 16403 B17R2.5300 Nc1cccc(n1)SCc2cccc(c2)I 62a_100000740741_100011218688 [0,2,0,0,0,0|2,0,0]=4 16404 B17R2.5300 Nc1cccc(n1)SCc2cccc(c2)I 62a_100011218688_100000740741 [0,2,0,0,0,0|2,0,0]=4 16405 B17R2.5300 Nc1cccc(n1)SCc2cccc(c2)O 62a_100000740741_100011660834 [0,2,0,0,0,0|2,0,0]=4 16406 B17R2.5300 Nc1cccc(n1)SCc2cccc(c2)O 62a_100011660834_100000740741 [0,2,0,0,0,0|2,0,0]=4 16407 B17R2.5300 Nc1ccnc(c1)SCc2cccc(c2)Br 62a_100000211773_100009814236 [0,2,0,0,0,0|2,0,0]=4 16408 B17R2.5300 Nc1ccnc(c1)SCc2cccc(c2)Br 62a_100009814236_100000211773 [0,2,0,0,0,0|2,0,0]=4 16409 B17R2.5300 Nc1ccnc(c1)SCc2cccc(c2)Cl 62a_100000187163_100009814236 [0,2,0,0,0,0|2,0,0]=4 16410 B17R2.5300 Nc1ccnc(c1)SCc2cccc(c2)Cl 62a_100009814236_100000187163 [0,2,0,0,0,0|2,0,0]=4 16411 B17R2.5300 Nc1ccnc(c1)SCc2cccc(c2)F 62a_100000230114_100009814236 [0,2,0,0,0,0|2,0,0]=4 16412 B17R2.5300 Nc1ccnc(c1)SCc2cccc(c2)F 62a_100009814236_100000230114 [0,2,0,0,0,0|2,0,0]=4 16413 B17R2.5300 Nc1ccnc(c1)SCc2cccc(c2)I 62a_100009814236_100011218688 [0,2,0,0,0,0|2,0,0]=4 16414 B17R2.5300 Nc1ccnc(c1)SCc2cccc(c2)I 62a_100011218688_100009814236 [0,2,0,0,0,0|2,0,0]=4 16415 B17R2.5300 Nc1ccnc(c1)SCc2cccc(c2)O 62a_100009814236_100011660834 [0,2,0,0,0,0|2,0,0]=4 16416 B17R2.5300 Nc1ccnc(c1)SCc2cccc(c2)O 62a_100011660834_100009814236 [0,2,0,0,0,0|2,0,0]=4 16417 B17R2.5300 Nc1cncc(c1)SCc2cccc(c2)Br 62a_100000211773_100000687067 [0,2,0,0,0,0|2,0,0]=4 16418 B17R2.5300 Nc1cncc(c1)SCc2cccc(c2)Br 62a_100000687067_100000211773 [0,2,0,0,0,0|2,0,0]=4 16419 B17R2.5300 Nc1cncc(c1)SCc2cccc(c2)Cl 62a_100000187163_100000687067 [0,2,0,0,0,0|2,0,0]=4 16420 B17R2.5300 Nc1cncc(c1)SCc2cccc(c2)Cl 62a_100000687067_100000187163 [0,2,0,0,0,0|2,0,0]=4 16421 B17R2.5300 Nc1cncc(c1)SCc2cccc(c2)F 62a_100000230114_100000687067 [0,2,0,0,0,0|2,0,0]=4 16422 B17R2.5300 Nc1cncc(c1)SCc2cccc(c2)F 62a_100000687067_100000230114 [0,2,0,0,0,0|2,0,0]=4 16423 B17R2.5300 Nc1cncc(c1)SCc2cccc(c2)I 62a_100000687067_100011218688 [0,2,0,0,0,0|2,0,0]=4 16424 B17R2.5300 Nc1cncc(c1)SCc2cccc(c2)I 62a_100011218688_100000687067 [0,2,0,0,0,0|2,0,0]=4 16425 B17R2.5300 Nc1cncc(c1)SCc2cccc(c2)O 62a_100000687067_100011660834 [0,2,0,0,0,0|2,0,0]=4 16426 B17R2.5300 Nc1cncc(c1)SCc2cccc(c2)O 62a_100011660834_100000687067 [0,2,0,0,0,0|2,0,0]=4 16427 B17R2.5300 O=c1cc(cc[nH]1)SCc2cccc(c2)Br 62a_100000211773_100009816521 [0,2,0,0,0,0|2,0,0]=4 16428 B17R2.5300 O=c1cc(cc[nH]1)SCc2cccc(c2)Br 62a_100009816521_100000211773 [0,2,0,0,0,0|2,0,0]=4 16429 B17R2.5300 O=c1cc(cc[nH]1)SCc2cccc(c2)Cl 62a_100000187163_100009816521 [0,2,0,0,0,0|2,0,0]=4 16430 B17R2.5300 O=c1cc(cc[nH]1)SCc2cccc(c2)Cl 62a_100009816521_100000187163 [0,2,0,0,0,0|2,0,0]=4 16431 B17R2.5300 O=c1cc(cc[nH]1)SCc2cccc(c2)F 62a_100000230114_100009816521 [0,2,0,0,0,0|2,0,0]=4 16432 B17R2.5300 O=c1cc(cc[nH]1)SCc2cccc(c2)F 62a_100009816521_100000230114 [0,2,0,0,0,0|2,0,0]=4 16433 B17R2.5300 O=c1cc(cc[nH]1)SCc2cccc(c2)I 62a_100009816521_100011218688 [0,2,0,0,0,0|2,0,0]=4 16434 B17R2.5300 O=c1cc(cc[nH]1)SCc2cccc(c2)I 62a_100011218688_100009816521 [0,2,0,0,0,0|2,0,0]=4 16435 B17R2.5300 O=c1cc(cc[nH]1)SCc2cccc(c2)O 62a_100009816521_100011660834 [0,2,0,0,0,0|2,0,0]=4 16436 B17R2.5300 O=c1cc(cc[nH]1)SCc2cccc(c2)O 62a_100011660834_100009816521 [0,2,0,0,0,0|2,0,0]=4 16437 B17R2.5300 O=c1cc[nH]c(c1)SCc2cccc(c2)Br 62a_100009817434_100000211773 [0,2,0,0,0,0|2,0,0]=4 16438 B17R2.5300 O=c1cc[nH]c(c1)SCc2cccc(c2)Cl 62a_100009817434_100000187163 [0,2,0,0,0,0|2,0,0]=4 16439 B17R2.5300 O=c1cc[nH]c(c1)SCc2cccc(c2)F 62a_100009817434_100000230114 [0,2,0,0,0,0|2,0,0]=4 16440 B17R2.5300 O=c1cc[nH]c(c1)SCc2cccc(c2)I 62a_100009817434_100011218688 [0,2,0,0,0,0|2,0,0]=4 16441 B17R2.5300 O=c1cc[nH]c(c1)SCc2cccc(c2)O 62a_100009817434_100011660834 [0,2,0,0,0,0|2,0,0]=4 16442 B17R2.5300 O=c1cccc([nH]1)SCc2cccc(c2)Br 62a_100000211773_100000752884 [0,2,0,0,0,0|2,0,0]=4 16443 B17R2.5300 O=c1cccc([nH]1)SCc2cccc(c2)Cl 62a_100000187163_100000752884 [0,2,0,0,0,0|2,0,0]=4 16444 B17R2.5300 O=c1cccc([nH]1)SCc2cccc(c2)F 62a_100000230114_100000752884 [0,2,0,0,0,0|2,0,0]=4 16445 B17R2.5300 O=c1cccc([nH]1)SCc2cccc(c2)I 62a_100011218688_100000752884 [0,2,0,0,0,0|2,0,0]=4 16446 B17R2.5300 O=c1cccc([nH]1)SCc2cccc(c2)O 62a_100011660834_100000752884 [0,2,0,0,0,0|2,0,0]=4 16447 B17R2.5300 Oc1cccc(c1)C=Cc2cccc(c2)Cl 271570a_100102525933_100000211634 [0,2,0,0,0,0|2,0,0]=4 16448 B17R2.5300 Oc1cccc(c1)C=Cc2cccc(c2)F 271570a_100102525537_100000211634 [0,2,0,0,0,0|2,0,0]=4 16449 B17R2.5300 Oc1cccc(c1)CNc2cccc(c2)Br 207a_100000210019_100000188321 [0,2,0,0,0,0|2,0,0]=4 16450 B17R2.5300 Oc1cccc(c1)CNc2cccc(c2)Br 34a_100000210019_100011660834 [0,2,0,0,0,0|2,0,0]=4 16451 B17R2.5300 Oc1cccc(c1)CNc2cccc(c2)Cl 207a_100000185859_100000188321 [0,2,0,0,0,0|2,0,0]=4 16452 B17R2.5300 Oc1cccc(c1)CNc2cccc(c2)Cl 34a_100000185859_100011660834 [0,2,0,0,0,0|2,0,0]=4 16453 B17R2.5300 Oc1cccc(c1)CNc2cccc(c2)F 207a_100000210047_100000188321 [0,2,0,0,0,0|2,0,0]=4 16454 B17R2.5300 Oc1cccc(c1)CNc2cccc(c2)F 34a_100000210047_100011660834 [0,2,0,0,0,0|2,0,0]=4 16455 B17R2.5300 Oc1cccc(c1)CNc2cccc(c2)I 207a_100000211102_100000188321 [0,2,0,0,0,0|2,0,0]=4 16456 B17R2.5300 Oc1cccc(c1)CNc2cccc(c2)I 34a_100000211102_100011660834 [0,2,0,0,0,0|2,0,0]=4 16457 B17R2.5300 Oc1cccc(c1)CNc2cccc(c2)O 34a_100000210217_100011660834 [0,2,0,0,0,0|2,0,0]=4 16458 B17R2.5300 Oc1cccc(c1)COc2cccc(c2)Br 34a_100000210342_100011660834 [0,2,0,0,0,0|1,1,0]=4 16459 B17R2.5300 Oc1cccc(c1)COc2cccc(c2)Br 7a_100000210342_100000084143 [0,2,0,0,0,0|1,1,0]=4 16460 B17R2.5300 Oc1cccc(c1)COc2cccc(c2)Cl 34a_100000210295_100011660834 [0,2,0,0,0,0|1,1,0]=4 16461 B17R2.5300 Oc1cccc(c1)COc2cccc(c2)Cl 7a_100000210295_100000084143 [0,2,0,0,0,0|1,1,0]=4 16462 B17R2.5300 Oc1cccc(c1)COc2cccc(c2)F 34a_100000210426_100011660834 [0,2,0,0,0,0|1,1,0]=4 16463 B17R2.5300 Oc1cccc(c1)COc2cccc(c2)F 7a_100000210426_100000084143 [0,2,0,0,0,0|1,1,0]=4 16464 B17R2.5300 Oc1cccc(c1)COc2cccc(c2)I 34a_100000211634_100011660834 [0,2,0,0,0,0|1,1,0]=4 16465 B17R2.5300 Oc1cccc(c1)COc2cccc(c2)I 7a_100000211634_100000084143 [0,2,0,0,0,0|1,1,0]=4 16466 B17R2.5300 Oc1cccc(c1)CSc2cc(ccn2)Cl 62a_100010167805_100011660834 [0,2,0,0,0,0|2,0,0]=4 16467 B17R2.5300 Oc1cccc(c1)CSc2cc(ccn2)Cl 62a_100011660834_100010167805 [0,2,0,0,0,0|2,0,0]=4 16468 B17R2.5300 Oc1cccc(c1)CSc2cc(ccn2)F 62a_100000764206_100011660834 [0,2,0,0,0,0|2,0,0]=4 16469 B17R2.5300 Oc1cccc(c1)CSc2cc(ccn2)F 62a_100011660834_100000764206 [0,2,0,0,0,0|2,0,0]=4 16470 B17R2.5300 Oc1cccc(c1)CSc2cc(ccn2)O 62a_100011660834_100000762945 [0,2,0,0,0,0|2,0,0]=4 16471 B17R2.5300 Oc1cccc(c1)CSc2cccc(c2)Br 62a_100000691529_100011660834 [0,2,0,0,0,0|1,0,0]=3 16472 B17R2.5300 Oc1cccc(c1)CSc2cccc(c2)Br 62a_100011660834_100000691529 [0,2,0,0,0,0|1,0,0]=3 16473 B17R2.5300 Oc1cccc(c1)CSc2cccc(c2)Cl 62a_100000699651_100011660834 [0,2,0,0,0,0|1,0,0]=3 16474 B17R2.5300 Oc1cccc(c1)CSc2cccc(c2)Cl 62a_100011660834_100000699651 [0,2,0,0,0,0|1,0,0]=3 16475 B17R2.5300 Oc1cccc(c1)CSc2cccc(c2)F 62a_100000685547_100011660834 [0,2,0,0,0,0|1,0,0]=3 16476 B17R2.5300 Oc1cccc(c1)CSc2cccc(c2)F 62a_100011660834_100000685547 [0,2,0,0,0,0|1,0,0]=3 16477 B17R2.5300 Oc1cccc(c1)CSc2cccc(c2)O 62a_100011660834_100000211634 [0,2,0,0,0,0|1,0,0]=3 16478 B17R2.5300 Oc1cccc(c1)CSc2cccc(c2)[S] 62a_100011660834_114929384022 [0,2,0,0,0,0|1,0,0]=3 16479 B17R2.5300 Oc1cccc(c1)CSc2cccc(c2)[S] 62a_114929384022_100011660834 [0,2,0,0,0,0|1,0,0]=3 16480 B17R2.5300 Oc1cccc(c1)CSc2cccc(n2)Br 62a_100000684672_100011660834 [0,2,0,0,0,0|2,0,0]=4 16481 B17R2.5300 Oc1cccc(c1)CSc2cccc(n2)Br 62a_100011660834_100000684672 [0,2,0,0,0,0|2,0,0]=4 16482 B17R2.5300 Oc1cccc(c1)CSc2cccc(n2)Cl 62a_100000051397_100011660834 [0,2,0,0,0,0|2,0,0]=4 16483 B17R2.5300 Oc1cccc(c1)CSc2cccc(n2)Cl 62a_100011660834_100000051397 [0,2,0,0,0,0|2,0,0]=4 16484 B17R2.5300 Oc1cccc(c1)CSc2cccc(n2)F 62a_100009815982_100011660834 [0,2,0,0,0,0|2,0,0]=4 16485 B17R2.5300 Oc1cccc(c1)CSc2cccc(n2)F 62a_100011660834_100009815982 [0,2,0,0,0,0|2,0,0]=4 16486 B17R2.5300 Oc1cccc(c1)CSc2ccnc(c2)Br 62a_100009814637_100011660834 [0,2,0,0,0,0|2,0,0]=4 16487 B17R2.5300 Oc1cccc(c1)CSc2ccnc(c2)Br 62a_100011660834_100009814637 [0,2,0,0,0,0|2,0,0]=4 16488 B17R2.5300 Oc1cccc(c1)CSc2ccnc(c2)Cl 62a_100000035001_100011660834 [0,2,0,0,0,0|2,0,0]=4 16489 B17R2.5300 Oc1cccc(c1)CSc2ccnc(c2)Cl 62a_100011660834_100000035001 [0,2,0,0,0,0|2,0,0]=4 16490 B17R2.5300 Oc1cccc(c1)CSc2ccnc(c2)F 62a_100009816116_100011660834 [0,2,0,0,0,0|2,0,0]=4 16491 B17R2.5300 Oc1cccc(c1)CSc2ccnc(c2)F 62a_100011660834_100009816116 [0,2,0,0,0,0|2,0,0]=4 16492 B17R2.5300 Oc1cccc(c1)CSc2cncc(c2)Br 62a_100000728054_100011660834 [0,2,0,0,0,0|2,0,0]=4 16493 B17R2.5300 Oc1cccc(c1)CSc2cncc(c2)Br 62a_100011660834_100000728054 [0,2,0,0,0,0|2,0,0]=4 16494 B17R2.5300 Oc1cccc(c1)CSc2cncc(c2)Cl 62a_100000049639_100011660834 [0,2,0,0,0,0|2,0,0]=4 16495 B17R2.5300 Oc1cccc(c1)CSc2cncc(c2)Cl 62a_100011660834_100000049639 [0,2,0,0,0,0|2,0,0]=4 16496 B17R2.5300 Oc1cccc(c1)CSc2cncc(c2)F 62a_100000744099_100011660834 [0,2,0,0,0,0|2,0,0]=4 16497 B17R2.5300 Oc1cccc(c1)CSc2cncc(c2)F 62a_100011660834_100000744099 [0,2,0,0,0,0|2,0,0]=4 16498 B17R2.5300 Oc1cccc(c1)CSc2cncc(c2)O 62a_100000754920_100011660834 [0,2,0,0,0,0|2,0,0]=4 16499 B17R2.5300 Oc1cccc(c1)CSc2cncc(c2)O 62a_100011660834_100000754920 [0,2,0,0,0,0|2,0,0]=4 16500 B17R2.5300 Oc1cccc(c1)NCc2cccc(c2)Br 270302a_100000210217_100000210085 [0,2,0,0,0,0|2,0,0]=4 16501 B17R2.5300 Oc1cccc(c1)NCc2cccc(c2)Br 34a_100000210217_100000698116 [0,2,0,0,0,0|2,0,0]=4 16502 B17R2.5300 Oc1cccc(c1)NCc2cccc(c2)Cl 270302a_100000210217_100000210801 [0,2,0,0,0,0|2,0,0]=4 16503 B17R2.5300 Oc1cccc(c1)NCc2cccc(c2)Cl 34a_100000210217_100000187163 [0,2,0,0,0,0|2,0,0]=4 16504 B17R2.5300 Oc1cccc(c1)NCc2cccc(c2)F 270302a_100000210217_100000210812 [0,2,0,0,0,0|2,0,0]=4 16505 B17R2.5300 Oc1cccc(c1)NCc2cccc(c2)F 34a_100000210217_100000187166 [0,2,0,0,0,0|2,0,0]=4 16506 B17R2.5300 Oc1cccc(c1)NCc2cccc(c2)I 270302a_100000210217_100000014684 [0,2,0,0,0,0|2,0,0]=4 16507 B17R2.5300 Oc1cccc(c1)NCc2cccc(c2)I 34a_100000210217_100011218688 [0,2,0,0,0,0|2,0,0]=4 16508 B17R2.5300 Oc1cccc(c1)OCc2cccc(c2)F 271570a_203496583355_200000151847 [0,2,0,0,0,0|1,1,0]=4 16509 B17R2.5300 Oc1cccc(c1)SCc2cc(ccn2)Br 62a_100010173614_100000211634 [0,2,0,0,0,0|2,0,0]=4 16510 B17R2.5300 Oc1cccc(c1)SCc2cc(ccn2)Cl 62a_100016988179_100000211634 [0,2,0,0,0,0|2,0,0]=4 16511 B17R2.5300 Oc1cccc(c1)SCc2cccc(c2)Br 62a_100000211773_100000211634 [0,2,0,0,0,0|1,0,0]=3 16512 B17R2.5300 Oc1cccc(c1)SCc2cccc(c2)Cl 62a_100000187163_100000211634 [0,2,0,0,0,0|1,0,0]=3 16513 B17R2.5300 Oc1cccc(c1)SCc2cccc(c2)F 62a_100000230114_100000211634 [0,2,0,0,0,0|1,0,0]=3 16514 B17R2.5300 Oc1cccc(c1)SCc2cccc(c2)I 62a_100011218688_100000211634 [0,2,0,0,0,0|1,0,0]=3 16515 B17R2.5300 Oc1cccc(c1)SCc2cccc(n2)Br 62a_100009889011_100000211634 [0,2,0,0,0,0|2,0,0]=4 16516 B17R2.5300 Oc1cccc(c1)SCc2cccc(n2)Cl 62a_100000086093_100000211634 [0,2,0,0,0,0|2,0,0]=4 16517 B17R2.5300 Oc1cccc(c1)SCc2cccc(n2)F 62a_100009819644_100000211634 [0,2,0,0,0,0|2,0,0]=4 16518 B17R2.5300 Oc1cccc(c1)SCc2ccnc(c2)Br 62a_100010254460_100000211634 [0,2,0,0,0,0|2,0,0]=4 16519 B17R2.5300 Oc1cccc(c1)SCc2ccnc(c2)Cl 62a_100000764220_100000211634 [0,2,0,0,0,0|2,0,0]=4 16520 B17R2.5300 Oc1cccc(c1)SCc2cncc(c2)Br 62a_100000738771_100000211634 [0,2,0,0,0,0|2,0,0]=4 16521 B17R2.5300 Oc1cccc(c1)SCc2cncc(c2)Cl 62a_100016992070_100000211634 [0,2,0,0,0,0|2,0,0]=4 16522 B17R2.5300 Oc1cccc(c1)SCc2cncc(c2)F 62a_100000725299_100000211634 [0,2,0,0,0,0|2,0,0]=4 16523 B17R2.5300 Oc1ccnc(c1)SCc2cccc(c2)Br 62a_100000211773_100000762945 [0,2,0,0,0,0|2,0,0]=4 16524 B17R2.5300 Oc1ccnc(c1)SCc2cccc(c2)Cl 62a_100000187163_100000762945 [0,2,0,0,0,0|2,0,0]=4 16525 B17R2.5300 Oc1ccnc(c1)SCc2cccc(c2)F 62a_100000230114_100000762945 [0,2,0,0,0,0|2,0,0]=4 16526 B17R2.5300 Oc1ccnc(c1)SCc2cccc(c2)I 62a_100011218688_100000762945 [0,2,0,0,0,0|2,0,0]=4 16527 B17R2.5300 Oc1cncc(c1)SCc2cccc(c2)Br 62a_100000211773_100000754920 [0,2,0,0,0,0|2,0,0]=4 16528 B17R2.5300 Oc1cncc(c1)SCc2cccc(c2)Br 62a_100000754920_100000211773 [0,2,0,0,0,0|2,0,0]=4 16529 B17R2.5300 Oc1cncc(c1)SCc2cccc(c2)Cl 62a_100000187163_100000754920 [0,2,0,0,0,0|2,0,0]=4 16530 B17R2.5300 Oc1cncc(c1)SCc2cccc(c2)Cl 62a_100000754920_100000187163 [0,2,0,0,0,0|2,0,0]=4 16531 B17R2.5300 Oc1cncc(c1)SCc2cccc(c2)F 62a_100000230114_100000754920 [0,2,0,0,0,0|2,0,0]=4 16532 B17R2.5300 Oc1cncc(c1)SCc2cccc(c2)F 62a_100000754920_100000230114 [0,2,0,0,0,0|2,0,0]=4 16533 B17R2.5300 Oc1cncc(c1)SCc2cccc(c2)I 62a_100000754920_100011218688 [0,2,0,0,0,0|2,0,0]=4 16534 B17R2.5300 Oc1cncc(c1)SCc2cccc(c2)I 62a_100011218688_100000754920 [0,2,0,0,0,0|2,0,0]=4 16535 B17R2.5300 [O-][n+]1cccc(c1)SCc2cccc(c2)Br 62a_100000211773_100009815978 [0,2,0,0,0,0|2,0,0]=4 16536 B17R2.5300 [O-][n+]1cccc(c1)SCc2cccc(c2)Cl 62a_100000187163_100009815978 [0,2,0,0,0,0|2,0,0]=4 16537 B17R2.5300 [O-][n+]1cccc(c1)SCc2cccc(c2)F 62a_100000230114_100009815978 [0,2,0,0,0,0|2,0,0]=4 16538 B17R2.5300 [O-][n+]1cccc(c1)SCc2cccc(c2)I 62a_100011218688_100009815978 [0,2,0,0,0,0|2,0,0]=4 16539 B17R2.5300 [O-][n+]1cccc(c1)SCc2cccc(c2)O 62a_100011660834_100009815978 [0,2,0,0,0,0|2,0,0]=4 16540 B17R2.5300 [S]c1cccc(c1)C=Cc2cccc(c2)Cl 271570a_100102525933_114929384022 [0,2,0,0,0,0|2,0,0]=4 16541 B17R2.5300 [S]c1cccc(c1)SCc2cc(ccn2)Br 62a_100010173614_114929384022 [0,2,0,0,0,0|2,0,0]=4 16542 B17R2.5300 [S]c1cccc(c1)SCc2cc(ccn2)Br 62a_114929384022_100010173614 [0,2,0,0,0,0|2,0,0]=4 16543 B17R2.5300 [S]c1cccc(c1)SCc2cc(ccn2)Cl 62a_100016988179_114929384022 [0,2,0,0,0,0|2,0,0]=4 16544 B17R2.5300 [S]c1cccc(c1)SCc2cc(ccn2)Cl 62a_114929384022_100016988179 [0,2,0,0,0,0|2,0,0]=4 16545 B17R2.5300 [S]c1cccc(c1)SCc2cccc(c2)Br 62a_100000211773_114929384022 [0,2,0,0,0,0|1,0,0]=3 16546 B17R2.5300 [S]c1cccc(c1)SCc2cccc(c2)Br 62a_114929384022_100000211773 [0,2,0,0,0,0|1,0,0]=3 16547 B17R2.5300 [S]c1cccc(c1)SCc2cccc(c2)Cl 62a_100000187163_114929384022 [0,2,0,0,0,0|1,0,0]=3 16548 B17R2.5300 [S]c1cccc(c1)SCc2cccc(c2)Cl 62a_114929384022_100000187163 [0,2,0,0,0,0|1,0,0]=3 16549 B17R2.5300 [S]c1cccc(c1)SCc2cccc(c2)I 62a_100011218688_114929384022 [0,2,0,0,0,0|1,0,0]=3 16550 B17R2.5300 [S]c1cccc(c1)SCc2cccc(c2)I 62a_114929384022_100011218688 [0,2,0,0,0,0|1,0,0]=3 16551 B17R2.5300 [S]c1cccc(c1)SCc2cccc(n2)Br 62a_100009889011_114929384022 [0,2,0,0,0,0|2,0,0]=4 16552 B17R2.5300 [S]c1cccc(c1)SCc2cccc(n2)Br 62a_114929384022_100009889011 [0,2,0,0,0,0|2,0,0]=4 16553 B17R2.5300 [S]c1cccc(c1)SCc2cccc(n2)Cl 62a_100000086093_114929384022 [0,2,0,0,0,0|2,0,0]=4 16554 B17R2.5300 [S]c1cccc(c1)SCc2cccc(n2)Cl 62a_114929384022_100000086093 [0,2,0,0,0,0|2,0,0]=4 16555 B17R2.5300 [S]c1cccc(c1)SCc2ccnc(c2)Br 62a_100010254460_114929384022 [0,2,0,0,0,0|2,0,0]=4 16556 B17R2.5300 [S]c1cccc(c1)SCc2ccnc(c2)Br 62a_114929384022_100010243470 [0,2,0,0,0,0|2,0,0]=4 16557 B17R2.5300 [S]c1cccc(c1)SCc2ccnc(c2)Cl 62a_100000764220_114929384022 [0,2,0,0,0,0|2,0,0]=4 16558 B17R2.5300 [S]c1cccc(c1)SCc2ccnc(c2)Cl 62a_114929384022_100000764220 [0,2,0,0,0,0|2,0,0]=4 16559 B17R2.5300 [S]c1cccc(c1)SCc2cncc(c2)Br 62a_100000738771_114929384022 [0,2,0,0,0,0|2,0,0]=4 16560 B17R2.5300 [S]c1cccc(c1)SCc2cncc(c2)Br 62a_114929384022_100000738771 [0,2,0,0,0,0|2,0,0]=4 16561 B17R2.5300 [S]c1cccc(c1)SCc2cncc(c2)Cl 62a_100016992070_114929384022 [0,2,0,0,0,0|2,0,0]=4 16562 B17R2.5300 [S]c1cccc(c1)SCc2cncc(c2)Cl 62a_114929384022_100016992070 [0,2,0,0,0,0|2,0,0]=4 16563 B15R2.21 C=Cc1ccccc1c2ccccc2 271570a_100000037480_100000210277 [0,0,1,1,0,0|2,0,0]=4 16564 B15R2.21 C=Cc1ccccc1c2ccccc2 271570a_100011290941_100000033479 [0,0,1,1,0,0|2,0,0]=4 16565 B15R2.21 C=Cc1cccnc1c2ccccc2 271570a_100011290941_100010138707 [0,0,1,1,0,0|2,0,0]=4 16566 B15R2.17 C=Cc1cccc(c1)c2ccccc2 271570a_100010046461_100000210277 [0,0,1,1,0,0|2,0,0]=4 16567 B15R2.17 C=Cc1cccc(c1)c2ccccc2 271570a_100011290941_100009813342 [0,0,1,1,0,0|2,0,0]=4 16568 B15R2.17 C=Cc1cccc(n1)c2ccccc2 271570a_100011290941_100012022076 [0,0,1,1,0,0|2,0,0]=4 16569 B15R2.66 C=C=Cc1ccc(s1)c2ccccc2 271570a_100015277604_100009814279 [0,0,1,1,0,0|1,0,1]=4 16570 B15R2.66 CC=Cc1ccc(s1)c2ccccc2 271570a_100016259895_100009814279 [0,0,1,1,0,0|1,0,1]=4 16571 B17R3.8 c1ccc(cc1)c2c[nH]c3c2cccc3 271570a_100012356747_100000210277 [0,0,0,1,0,1|2,0,0]=4 16572 B17R3.8 c1ccc(cc1)c2coc3c2cccc3 271570a_100000084643_100000210277 [0,0,0,1,0,1|1,1,0]=4 16573 B17R3.8 c1ccc(cc1)c2coc3c2cccc3 271570a_100011218836_100009812202 [0,0,0,1,0,1|1,1,0]=4 16574 B17R3.8 c1ccc(cc1)c2csc3c2cccc3 271570a_100000038073_100000210277 [0,0,0,1,0,1|1,0,0]=3 16575 B17R3.8 c1ccc(cc1)c2csc3c2cccc3 271570a_100011218836_100009813928 [0,0,0,1,0,1|1,0,0]=3 16576 B17R3.8 c1ccc(cc1)c2csc3c2cccn3 271570a_100011218836_100009830249 [0,0,0,1,0,1|2,0,0]=4 16577 B17R3.8 c1ccc(cc1)c2csc3c2ccnc3 271570a_100011218836_100009817111 [0,0,0,1,0,1|2,0,0]=4 16578 B17R3.8 c1ccc(cc1)c2csc3c2cncc3 271570a_100011218836_100010247091 [0,0,0,1,0,1|2,0,0]=4 16579 B17R3.8 c1ccc(cc1)c2csc3c2nccc3 271570a_100011218836_100010247092 [0,0,0,1,0,1|2,0,0]=4 16580 B17R3.8 c1ccc(cc1)c2n[nH]c3c2cccc3 271570a_100011218836_100000050141 [0,0,0,1,0,1|2,0,0]=4 16581 B17R3.8 c1ccc(nc1)c2csc3c2cccc3 271570a_100000038073_100011216584 [0,0,0,1,0,1|2,0,0]=4 16582 B17R3.8 c1ccc(nc1)c2csc3c2cccc3 271570a_100011264011_100009813928 [0,0,0,1,0,1|2,0,0]=4 16583 B17R3.8 c1ccc2c(csc2c1)c3ccncc3 271570a_100000038073_100000035832 [0,0,0,1,0,1|2,0,0]=4 16584 B17R3.8 c1ccc2c(csc2c1)c3ccncc3 271570a_100000752145_100009813928 [0,0,0,1,0,1|2,0,0]=4 16585 B17R3.8 c1cncc(c1)c2csc3c2cccc3 271570a_100000038073_100000752921 [0,0,0,1,0,1|2,0,0]=4 16586 B17R3.8 c1cncc(c1)c2csc3c2cccc3 271570a_100000757648_100009813928 [0,0,0,1,0,1|2,0,0]=4 16587 B17R3.1939 c1ccc(cc1)OC2Cc3c2cccc3 7a_100000210340_100009813401 [0,0,0,1,0,1|1,1,0]=4 16588 B17R3.1939 c1ccc(cc1)SC2Cc3c2cccc3 62a_100000719477_100009813401 [0,0,0,1,0,1|1,0,0]=3 16589 B17R3.1939 c1ccc(cc1)SC2Cc3c2cccc3 62a_100009813401_100000041952 [0,0,0,1,0,1|1,0,0]=3 16590 B17R3.1939 c1ccc(nc1)SC2Cc3c2cccc3 62a_100009813401_100011216584 [0,0,0,1,0,1|2,0,0]=4 16591 B17R3.1939 c1ccc(nc1)SC2Cc3c2cccc3 62a_100011216584_100009813401 [0,0,0,1,0,1|2,0,0]=4 16592 B17R3.1939 c1ccc2c(c1)CC2Sc3ccncc3 62a_100000728582_100009813401 [0,0,0,1,0,1|2,0,0]=4 16593 B17R3.1939 c1ccc2c(c1)CC2Sc3ccncc3 62a_100009813401_100000728582 [0,0,0,1,0,1|2,0,0]=4 16594 B17R3.1939 c1cncc(c1)SC2Cc3c2cccc3 62a_100000210063_100009813401 [0,0,0,1,0,1|2,0,0]=4 16595 B17R3.1939 c1cncc(c1)SC2Cc3c2cccc3 62a_100009813401_100000210063 [0,0,0,1,0,1|2,0,0]=4 16596 B17R3.8708 C1=C(Cc2c1cccc2)c3ccccc3 271570a_100010239756_100000210277 [0,1,0,1,0,0|2,0,0]=4 16597 B17R3.8708 c1ccc(cc1)c2cc3ccccc3[nH]2 271570a_100010206980_100000210277 [0,1,0,1,0,0|2,0,0]=4 16598 B17R3.8708 c1ccc(cc1)c2cc3ccccc3[nH]2 271570a_100011218836_100010232065 [0,1,0,1,0,0|2,0,0]=4 16599 B17R3.8708 c1ccc(cc1)c2cc3ccccc3o2 271570a_100011218836_100010159458 [0,1,0,1,0,0|1,1,0]=4 16600 B17R3.8708 c1ccc(cc1)c2cc3ccccc3o2 271570a_100011328764_100000210277 [0,1,0,1,0,0|1,1,0]=4 16601 B17R3.8708 c1ccc(cc1)c2cc3ccccc3s2 271570a_100000034353_100000210277 [0,1,0,1,0,0|1,0,0]=3 16602 B17R3.8708 c1ccc(cc1)c2cc3ccccc3s2 271570a_100011218836_100009816949 [0,1,0,1,0,0|1,0,0]=3 16603 B17R3.8708 c1ccc(cc1)c2nc3ccccc3[nH]2 271570a_100011218836_100009814255 [0,1,0,1,0,0|2,0,0]=4 16604 B17R3.8708 c1ccc(cc1)c2nc3ccccc3s2 271570a_100011218836_100000751744 [0,1,0,1,0,0|1,0,0]=3 16605 B17R3.8708 c1ccc(cc1)c2nc3ccccc3s2 271570a_200000082171_100000210277 [0,1,0,1,0,0|1,0,0]=3 16606 B17R3.8708 c1ccc(cc1)c2nc3cccnc3s2 271570a_100011218836_100010188088 [0,1,0,1,0,0|2,0,0]=4 16607 B17R3.8708 c1ccc(nc1)c2cc3ccccc3s2 271570a_100000034353_100011216584 [0,1,0,1,0,0|2,0,0]=4 16608 B17R3.8708 c1ccc(nc1)c2cc3ccccc3s2 271570a_100011264011_100009816949 [0,1,0,1,0,0|2,0,0]=4 16609 B17R3.8708 c1ccc(nc1)c2nc3ccccc3s2 271570a_100011264011_100000751744 [0,1,0,1,0,0|2,0,0]=4 16610 B17R3.8708 c1ccc(nc1)c2nc3ccccc3s2 271570a_200000082171_100011216584 [0,1,0,1,0,0|2,0,0]=4 16611 B17R3.8708 c1ccc2sc(cc2c1)c3ccncc3 271570a_100000034353_100000035832 [0,1,0,1,0,0|2,0,0]=4 16612 B17R3.8708 c1ccc2sc(cc2c1)c3ccncc3 271570a_100000752145_100009816949 [0,1,0,1,0,0|2,0,0]=4 16613 B17R3.8708 c1ccc2sc(nc2c1)c3ccncc3 271570a_100000752145_100000751744 [0,1,0,1,0,0|2,0,0]=4 16614 B17R3.8708 c1ccc2sc(nc2c1)c3ccncc3 271570a_200000082171_100000035832 [0,1,0,1,0,0|2,0,0]=4 16615 B17R3.8708 c1cncc(c1)c2cc3ccccc3s2 271570a_100000034353_100000752921 [0,1,0,1,0,0|2,0,0]=4 16616 B17R3.8708 c1cncc(c1)c2cc3ccccc3s2 271570a_100000757648_100009816949 [0,1,0,1,0,0|2,0,0]=4 16617 B17R3.8708 c1cncc(c1)c2nc3ccccc3s2 271570a_100000757648_100000751744 [0,1,0,1,0,0|2,0,0]=4 16618 B17R3.8708 c1cncc(c1)c2nc3ccccc3s2 271570a_200000082171_100000752921 [0,1,0,1,0,0|2,0,0]=4 16619 B17R3.54615 Oc1cc2ccccc2c3c1cccc3 271570a_203496583355_100009813645 [0,1,0,1,0,0|2,0,0]=4 16620 B17R3.54615 Oc1nc2ccccc2c3c1cccc3 271570a_203496583355_100000028652 [0,1,0,1,0,0|2,0,0]=4 16621 B17R3.18998 Oc1ccc2ccc3ccccc3c2c1 271570a_203496583355_100010175977 [0,1,0,1,0,0|2,0,0]=4 16622 B17R3.31 Oc1ccc2c(c1)ccc3c2cccc3 271570a_203496583355_100010174298 [0,1,0,1,0,0|2,0,0]=4 16623 B13R1.44 C=CC=CC(=O)Cc1ccccc1 1458a_100016291481_100015291786 [0,0,1,0,1,0|2,0,0]=4 16624 B13R1.44 C=CC=CC(=O)Nc1ccccc1 1626a_100000106764_100016291481 [0,0,1,0,1,0|2,0,0]=4 16625 B13R1.44 C=CC=CC(=O)Nc1ccccc1 22a_100000106764_100016291481 [0,0,1,0,1,0|2,0,0]=4 16626 B13R2.3 c1cc(ccn1)c2ccncc2 271570a_100000752145_100000035832 [0,0,0,0,2,0|2,0,0]=4 16627 B13R2.3 c1ccc(cc1)c2ccccc2 271570a_100011218836_100000210277 [0,0,0,0,2,0|0,0,0]=2 16628 B13R2.3 c1ccc(cc1)c2ccccn2 271570a_100011218836_100011216584 [0,0,0,0,2,0|1,0,0]=3 16629 B13R2.3 c1ccc(cc1)c2ccccn2 271570a_100011264011_100000210277 [0,0,0,0,2,0|1,0,0]=3 16630 B13R2.3 c1ccc(cc1)c2cccnc2 271570a_100000757648_100000210277 [0,0,0,0,2,0|1,0,0]=3 16631 B13R2.3 c1ccc(cc1)c2cccnc2 271570a_100011218836_100000752921 [0,0,0,0,2,0|1,0,0]=3 16632 B13R2.3 c1ccc(cc1)c2cccnn2 271570a_100011218836_100016991348 [0,0,0,0,2,0|2,0,0]=4 16633 B13R2.3 c1ccc(cc1)c2ccncc2 271570a_100000752145_100000210277 [0,0,0,0,2,0|1,0,0]=3 16634 B13R2.3 c1ccc(cc1)c2ccncc2 271570a_100011218836_100000035832 [0,0,0,0,2,0|1,0,0]=3 16635 B13R2.3 c1ccc(cc1)c2ccncn2 271570a_100011218836_100000703185 [0,0,0,0,2,0|2,0,0]=4 16636 B13R2.3 c1ccc(cc1)c2ccnnc2 271570a_100011218836_100000732662 [0,0,0,0,2,0|2,0,0]=4 16637 B13R2.3 c1ccc(cc1)c2cnccn2 271570a_100011218836_100000758340 [0,0,0,0,2,0|2,0,0]=4 16638 B13R2.3 c1ccc(cc1)c2cnccn2 271570a_100011962566_100000210277 [0,0,0,0,2,0|2,0,0]=4 16639 B13R2.3 c1ccc(cc1)c2cncnc2 271570a_100000707473_100000210277 [0,0,0,0,2,0|2,0,0]=4 16640 B13R2.3 c1ccc(cc1)c2cncnc2 271570a_100011218836_100011206942 [0,0,0,0,2,0|2,0,0]=4 16641 B13R2.3 c1ccc(cc1)c2ncccn2 271570a_100011218836_100000211032 [0,0,0,0,2,0|2,0,0]=4 16642 B13R2.3 c1ccc(nc1)c2ccccn2 271570a_100011264011_100011216584 [0,0,0,0,2,0|2,0,0]=4 16643 B13R2.3 c1ccc(nc1)c2cccnc2 271570a_100000757648_100011216584 [0,0,0,0,2,0|2,0,0]=4 16644 B13R2.3 c1ccc(nc1)c2cccnc2 271570a_100011264011_100000752921 [0,0,0,0,2,0|2,0,0]=4 16645 B13R2.3 c1ccc(nc1)c2ccncc2 271570a_100000752145_100011216584 [0,0,0,0,2,0|2,0,0]=4 16646 B13R2.3 c1ccc(nc1)c2ccncc2 271570a_100011264011_100000035832 [0,0,0,0,2,0|2,0,0]=4 16647 B13R2.3 c1cncc(c1)c2cccnc2 271570a_100000757648_100000752921 [0,0,0,0,2,0|2,0,0]=4 16648 B13R2.3 c1cncc(c1)c2ccncc2 271570a_100000752145_100000752921 [0,0,0,0,2,0|2,0,0]=4 16649 B13R2.3 c1cncc(c1)c2ccncc2 271570a_100000757648_100000035832 [0,0,0,0,2,0|2,0,0]=4 16650 B13R2.64 c1cc(ccn1)Sc2ccoc2 62a_100000728582_100011215275 [0,0,0,0,2,0|2,0,0]=4 16651 B13R2.64 c1cc(ccn1)Sc2ccoc2 62a_100011215275_100000728582 [0,0,0,0,2,0|2,0,0]=4 16652 B13R2.64 c1cc(ccn1)Sc2ccsc2 62a_100000728582_100000738268 [0,0,0,0,2,0|2,0,0]=4 16653 B13R2.64 c1cc(ccn1)Sc2ccsc2 62a_100000738268_100000728582 [0,0,0,0,2,0|2,0,0]=4 16654 B13R2.64 c1ccc(cc1)Sc2c[nH]cn2 62a_100000719477_100000756875 [0,0,0,0,2,0|2,0,0]=4 16655 B13R2.64 c1ccc(cc1)Sc2c[nH]cn2 62a_100000756875_100000041952 [0,0,0,0,2,0|2,0,0]=4 16656 B13R2.64 c1ccc(cc1)Sc2cc[nH]n2 62a_100000062575_100000041952 [0,0,0,0,2,0|2,0,0]=4 16657 B13R2.64 c1ccc(cc1)Sc2cc[nH]n2 62a_100000719477_100000062575 [0,0,0,0,2,0|2,0,0]=4 16658 B13R2.64 c1ccc(cc1)Sc2ccco2 62a_100000719477_100009814098 [0,0,0,0,2,0|1,0,0]=3 16659 B13R2.64 c1ccc(cc1)Sc2ccco2 62a_100009814098_100000041952 [0,0,0,0,2,0|1,0,0]=3 16660 B13R2.64 c1ccc(cc1)Sc2cccs2 62a_100000719477_100011215356 [0,0,0,0,2,0|1,0,0]=3 16661 B13R2.64 c1ccc(cc1)Sc2cccs2 62a_100011215356_100000041952 [0,0,0,0,2,0|1,0,0]=3 16662 B13R2.64 c1ccc(cc1)Sc2ccoc2 62a_100000719477_100011215275 [0,0,0,0,2,0|1,0,0]=3 16663 B13R2.64 c1ccc(cc1)Sc2ccoc2 62a_100011215275_100000041952 [0,0,0,0,2,0|1,0,0]=3 16664 B13R2.64 c1ccc(cc1)Sc2ccon2 62a_100000719477_100009818083 [0,0,0,0,2,0|2,0,0]=4 16665 B13R2.64 c1ccc(cc1)Sc2ccon2 62a_100009818083_100000041952 [0,0,0,0,2,0|2,0,0]=4 16666 B13R2.64 c1ccc(cc1)Sc2ccsc2 62a_100000719477_100000738268 [0,0,0,0,2,0|1,0,0]=3 16667 B13R2.64 c1ccc(cc1)Sc2ccsc2 62a_100000738268_100000041952 [0,0,0,0,2,0|1,0,0]=3 16668 B13R2.64 c1ccc(cc1)Sc2ccsn2 62a_100000719477_100009818082 [0,0,0,0,2,0|2,0,0]=4 16669 B13R2.64 c1ccc(cc1)Sc2ccsn2 62a_100009818082_100000041952 [0,0,0,0,2,0|2,0,0]=4 16670 B13R2.64 c1ccc(cc1)Sc2cn[nH]c2 62a_100000238712_100000041952 [0,0,0,0,2,0|2,0,0]=4 16671 B13R2.64 c1ccc(cc1)Sc2cn[nH]c2 62a_100000719477_100000238712 [0,0,0,0,2,0|2,0,0]=4 16672 B13R2.64 c1ccc(cc1)Sc2cnco2 62a_100000719477_100020591547 [0,0,0,0,2,0|2,0,0]=4 16673 B13R2.64 c1ccc(cc1)Sc2cnco2 62a_100020591547_100000041952 [0,0,0,0,2,0|2,0,0]=4 16674 B13R2.64 c1ccc(cc1)Sc2cncs2 62a_100000719477_100011934649 [0,0,0,0,2,0|2,0,0]=4 16675 B13R2.64 c1ccc(cc1)Sc2cncs2 62a_100011934649_100000041952 [0,0,0,0,2,0|2,0,0]=4 16676 B13R2.64 c1ccc(cc1)Sc2cnoc2 62a_100000719477_100009815712 [0,0,0,0,2,0|2,0,0]=4 16677 B13R2.64 c1ccc(cc1)Sc2cnoc2 62a_100009815712_100000041952 [0,0,0,0,2,0|2,0,0]=4 16678 B13R2.64 c1ccc(cc1)Sc2cnsc2 62a_100000719477_100009815736 [0,0,0,0,2,0|2,0,0]=4 16679 B13R2.64 c1ccc(cc1)Sc2cnsc2 62a_100009815736_100000041952 [0,0,0,0,2,0|2,0,0]=4 16680 B13R2.64 c1ccc(cc1)Sc2cscn2 62a_100000719477_100000751502 [0,0,0,0,2,0|2,0,0]=4 16681 B13R2.64 c1ccc(cc1)Sc2cscn2 62a_100000751502_100000041952 [0,0,0,0,2,0|2,0,0]=4 16682 B13R2.64 c1ccc(cc1)Sc2ncc[nH]2 62a_100000719477_100025796157 [0,0,0,0,2,0|2,0,0]=4 16683 B13R2.64 c1ccc(cc1)Sc2ncc[nH]2 62a_100025796157_100000041952 [0,0,0,0,2,0|2,0,0]=4 16684 B13R2.64 c1ccc(cc1)Sc2ncco2 62a_100000719477_100011787736 [0,0,0,0,2,0|2,0,0]=4 16685 B13R2.64 c1ccc(cc1)Sc2ncco2 62a_100011787736_100000041952 [0,0,0,0,2,0|2,0,0]=4 16686 B13R2.64 c1ccc(cc1)Sc2nccs2 62a_100000211983_100000041952 [0,0,0,0,2,0|2,0,0]=4 16687 B13R2.64 c1ccc(cc1)Sc2nccs2 62a_100000719477_100000211983 [0,0,0,0,2,0|2,0,0]=4 16688 B13R2.64 c1ccc(nc1)Sc2ccco2 62a_100009814098_100011216584 [0,0,0,0,2,0|2,0,0]=4 16689 B13R2.64 c1ccc(nc1)Sc2ccco2 62a_100011216584_100009814098 [0,0,0,0,2,0|2,0,0]=4 16690 B13R2.64 c1ccc(nc1)Sc2cccs2 62a_100011215356_100011216584 [0,0,0,0,2,0|2,0,0]=4 16691 B13R2.64 c1ccc(nc1)Sc2cccs2 62a_100011216584_100011215356 [0,0,0,0,2,0|2,0,0]=4 16692 B13R2.64 c1ccc(nc1)Sc2ccoc2 62a_100011215275_100011216584 [0,0,0,0,2,0|2,0,0]=4 16693 B13R2.64 c1ccc(nc1)Sc2ccoc2 62a_100011216584_100011215275 [0,0,0,0,2,0|2,0,0]=4 16694 B13R2.64 c1ccc(nc1)Sc2ccsc2 62a_100000738268_100011216584 [0,0,0,0,2,0|2,0,0]=4 16695 B13R2.64 c1ccc(nc1)Sc2ccsc2 62a_100011216584_100000738268 [0,0,0,0,2,0|2,0,0]=4 16696 B13R2.64 c1cncc(c1)Sc2ccco2 62a_100000210063_100009814098 [0,0,0,0,2,0|2,0,0]=4 16697 B13R2.64 c1cncc(c1)Sc2ccco2 62a_100009814098_100000210063 [0,0,0,0,2,0|2,0,0]=4 16698 B13R2.64 c1cncc(c1)Sc2cccs2 62a_100000210063_100011215356 [0,0,0,0,2,0|2,0,0]=4 16699 B13R2.64 c1cncc(c1)Sc2cccs2 62a_100011215356_100000210063 [0,0,0,0,2,0|2,0,0]=4 16700 B13R2.64 c1cncc(c1)Sc2ccoc2 62a_100000210063_100011215275 [0,0,0,0,2,0|2,0,0]=4 16701 B13R2.64 c1cncc(c1)Sc2ccoc2 62a_100011215275_100000210063 [0,0,0,0,2,0|2,0,0]=4 16702 B13R2.64 c1cncc(c1)Sc2ccsc2 62a_100000210063_100000738268 [0,0,0,0,2,0|2,0,0]=4 16703 B13R2.64 c1cncc(c1)Sc2ccsc2 62a_100000738268_100000210063 [0,0,0,0,2,0|2,0,0]=4 16704 B13R2.64 c1coc(c1)Sc2ccncc2 62a_100000728582_100009814098 [0,0,0,0,2,0|2,0,0]=4 16705 B13R2.64 c1coc(c1)Sc2ccncc2 62a_100009814098_100000728582 [0,0,0,0,2,0|2,0,0]=4 16706 B13R2.64 c1csc(c1)Sc2ccncc2 62a_100000728582_100011215356 [0,0,0,0,2,0|2,0,0]=4 16707 B13R2.64 c1csc(c1)Sc2ccncc2 62a_100011215356_100000728582 [0,0,0,0,2,0|2,0,0]=4 16708 B17R2.2382 C(#Cc1ccccc1)CNc2ccccc2 34a_100000106764_100011352542 [0,0,0,0,0,2|2,0,0]=4 16709 B17R2.2382 C(#Cc1ccccc1)COc2ccccc2 34a_100000210340_100011352542 [0,0,0,0,0,2|1,1,0]=4 16710 B17R2.2382 C(#Cc1ccccc1)COc2ccccc2 7a_100000210340_100011352542 [0,0,0,0,0,2|1,1,0]=4 16711 B17R2.2382 C(#Cc1ccccc1)CSc2ccccc2 62a_100000719477_100011352542 [0,0,0,0,0,2|1,0,0]=3 16712 B17R2.2382 C(#Cc1ccccc1)CSc2ccccn2 62a_100011216584_100011352542 [0,0,0,0,0,2|2,0,0]=4 16713 B17R2.2382 C(#Cc1ccccc1)CSc2cccnc2 62a_100000210063_100011352542 [0,0,0,0,0,2|2,0,0]=4 16714 B17R2.2382 C(#Cc1ccccc1)CSc2ccncc2 62a_100000728582_100011352542 [0,0,0,0,0,2|2,0,0]=4 16715 B17R2.2382 C(=C/c1ccccc1)\CNc2ccccc2 34a_100000106764_100016265936 [0,0,0,0,0,2|2,0,0]=4 16716 B17R2.2382 C(=C/c1ccccc1)\COc2ccccc2 34a_100000210340_100016265936 [0,0,0,0,0,2|1,1,0]=4 16717 B17R2.2382 C(=C/c1ccccc1)\COc2ccccc2 7a_100000210340_100016265936 [0,0,0,0,0,2|1,1,0]=4 16718 B17R2.2382 C(=C/c1ccccc1)\CSc2ccccc2 62a_100000719477_100016265936 [0,0,0,0,0,2|1,0,0]=3 16719 B17R2.2382 C(=C/c1ccccc1)\CSc2ccccc2 62a_100016265936_100000041952 [0,0,0,0,0,2|1,0,0]=3 16720 B17R2.2382 C(=C/c1ccccc1)\CSc2ccccn2 62a_100011216584_100016265936 [0,0,0,0,0,2|2,0,0]=4 16721 B17R2.2382 C(=C/c1ccccc1)\CSc2ccccn2 62a_100016265936_100011216584 [0,0,0,0,0,2|2,0,0]=4 16722 B17R2.2382 C(=C/c1ccccc1)\CSc2cccnc2 62a_100000210063_100016265936 [0,0,0,0,0,2|2,0,0]=4 16723 B17R2.2382 C(=C/c1ccccc1)\CSc2cccnc2 62a_100016265936_100000210063 [0,0,0,0,0,2|2,0,0]=4 16724 B17R2.2382 C(=C/c1ccccc1)\CSc2ccncc2 62a_100000728582_100016265936 [0,0,0,0,0,2|2,0,0]=4 16725 B17R2.2382 C(=C/c1ccccc1)\CSc2ccncc2 62a_100016265936_100000728582 [0,0,0,0,0,2|2,0,0]=4 16726 B17R2.2382 C(=NNCc1ccccc1)c2ccccc2 4a_100000007032_100015611070 [0,0,0,0,0,2|2,0,0]=4 16727 B17R2.2382 C(=NNc1ccccc1)Cc2ccccc2 4a_100015195140_100000209964 [0,0,0,0,0,2|2,0,0]=4 16728 B17R2.2382 c1ccc(cc1)CCCNc2ccccc2 34a_100000106764_100000211621 [0,0,0,0,0,2|2,0,0]=4 16729 B17R2.2382 c1ccc(cc1)CCCOc2ccccc2 34a_100000210340_100000211621 [0,0,0,0,0,2|1,1,0]=4 16730 B17R2.2382 c1ccc(cc1)CCCOc2ccccc2 7a_100000210340_100000211621 [0,0,0,0,0,2|1,1,0]=4 16731 B17R2.2382 c1ccc(cc1)CCCSc2ccccc2 62a_100000211621_100000041952 [0,0,0,0,0,2|1,0,0]=3 16732 B17R2.2382 c1ccc(cc1)CCCSc2ccccc2 62a_100000719477_100000211621 [0,0,0,0,0,2|1,0,0]=3 16733 B17R2.2382 c1ccc(cc1)CCCSc2ccccn2 62a_100000211621_100011216584 [0,0,0,0,0,2|2,0,0]=4 16734 B17R2.2382 c1ccc(cc1)CCCSc2ccccn2 62a_100011216584_100000211621 [0,0,0,0,0,2|2,0,0]=4 16735 B17R2.2382 c1ccc(cc1)CCCSc2cccnc2 62a_100000210063_100000211621 [0,0,0,0,0,2|2,0,0]=4 16736 B17R2.2382 c1ccc(cc1)CCCSc2cccnc2 62a_100000211621_100000210063 [0,0,0,0,0,2|2,0,0]=4 16737 B17R2.2382 c1ccc(cc1)CCCSc2ccncc2 62a_100000211621_100000728582 [0,0,0,0,0,2|2,0,0]=4 16738 B17R2.2382 c1ccc(cc1)CCCSc2ccncc2 62a_100000728582_100000211621 [0,0,0,0,0,2|2,0,0]=4 16739 B17R2.2382 c1ccc(cc1)CCNCc2ccccc2 207a_100000106460_100015611070 [0,0,0,0,0,2|2,0,0]=4 16740 B17R2.2382 c1ccc(cc1)CCNCc2ccccc2 2230a_100000106460_100015291786 [0,0,0,0,0,2|2,0,0]=4 16741 B17R2.2382 c1ccc(cc1)CCNCc2ccccc2 2230a_100015324214_100000765856 [0,0,0,0,0,2|2,0,0]=4 16742 B17R2.2382 c1ccc(cc1)CCNCc2ccccc2 270004a_100000106460_100015611070 [0,0,0,0,0,2|2,0,0]=4 16743 B17R2.2382 c1ccc(cc1)CCNCc2ccccc2 34a_100000106460_100015291786 [0,0,0,0,0,2|2,0,0]=4 16744 B17R2.2382 c1ccc(cc1)CCNCc2ccccc2 34a_100015324214_100000765856 [0,0,0,0,0,2|2,0,0]=4 16745 B17R2.2382 c1ccc(cc1)CCOCc2ccccc2 34a_100000210268_100015291786 [0,0,0,0,0,2|1,1,0]=4 16746 B17R2.2382 c1ccc(cc1)CCOCc2ccccc2 34a_100000210790_100000765856 [0,0,0,0,0,2|1,1,0]=4 16747 B17R2.2382 c1ccc(cc1)CCOCc2ccccc2 7a_100000210268_100000211182 [0,0,0,0,0,2|1,1,0]=4 16748 B17R2.2382 c1ccc(cc1)CCOCc2ccccc2 7a_100000210790_100000765856 [0,0,0,0,0,2|1,1,0]=4 16749 B17R2.2382 c1ccc(cc1)CCSCc2ccccc2 62a_100000211182_100011218657 [0,0,0,0,0,2|1,0,0]=3 16750 B17R2.2382 c1ccc(cc1)CCSCc2ccccc2 62a_100000765856_100015291786 [0,0,0,0,0,2|1,0,0]=3 16751 B17R2.2382 c1ccc(cc1)CCSCc2ccccn2 62a_100000721315_100011218657 [0,0,0,0,0,2|2,0,0]=4 16752 B17R2.2382 c1ccc(cc1)CCSCc2ccccn2 62a_100000765856_100000721315 [0,0,0,0,0,2|2,0,0]=4 16753 B17R2.2382 c1ccc(cc1)CCSCc2cccnc2 62a_100000741622_100011218657 [0,0,0,0,0,2|2,0,0]=4 16754 B17R2.2382 c1ccc(cc1)CCSCc2cccnc2 62a_100000765856_100000741622 [0,0,0,0,0,2|2,0,0]=4 16755 B17R2.2382 c1ccc(cc1)CCSCc2ccncc2 62a_100000765856_100015193705 [0,0,0,0,0,2|2,0,0]=4 16756 B17R2.2382 c1ccc(cc1)CCSCc2ccncc2 62a_100015193705_100011218657 [0,0,0,0,0,2|2,0,0]=4 16757 B17R2.2382 c1ccc(cc1)CNCSc2ccccc2 2230a_100015324214_100011218342 [0,0,0,0,0,2|1,0,0]=3 16758 B17R2.2382 c1ccc(cc1)COCNc2ccccc2 34a_100000106764_100000763385 [0,0,0,0,0,2|1,1,0]=4 16759 B17R2.2382 c1ccc(cc1)COCOc2ccccc2 34a_100000210340_100000763385 [0,0,0,0,0,2|0,2,0]=4 16760 B17R2.2382 c1ccc(cc1)COCSc2ccccc2 62a_100000719477_100000763385 [0,0,0,0,0,2|0,1,0]=3 16761 B17R2.2382 c1ccc(cc1)COCSc2ccccc2 62a_100000763385_100000041952 [0,0,0,0,0,2|0,1,0]=3 16762 B17R2.2382 c1ccc(cc1)COCSc2ccccn2 62a_100000763385_100011216584 [0,0,0,0,0,2|1,1,0]=4 16763 B17R2.2382 c1ccc(cc1)COCSc2ccccn2 62a_100011216584_100000763385 [0,0,0,0,0,2|1,1,0]=4 16764 B17R2.2382 c1ccc(cc1)COCSc2cccnc2 62a_100000210063_100000763385 [0,0,0,0,0,2|1,1,0]=4 16765 B17R2.2382 c1ccc(cc1)COCSc2cccnc2 62a_100000763385_100000210063 [0,0,0,0,0,2|1,1,0]=4 16766 B17R2.2382 c1ccc(cc1)COCSc2ccncc2 62a_100000728582_100000763385 [0,0,0,0,0,2|1,1,0]=4 16767 B17R2.2382 c1ccc(cc1)COCSc2ccncc2 62a_100000763385_100000728582 [0,0,0,0,0,2|1,1,0]=4 16768 B17R2.2382 c1ccc(cc1)CSCCc2ccccn2 62a_100000211182_100015183660 [0,0,0,0,0,2|2,0,0]=4 16769 B17R2.2382 c1ccc(cc1)CSCCc2ccccn2 62a_100015183660_100015291786 [0,0,0,0,0,2|2,0,0]=4 16770 B17R2.2382 c1ccc(cc1)CSCCc2cccnc2 62a_100000211182_200011713674 [0,0,0,0,0,2|2,0,0]=4 16771 B17R2.2382 c1ccc(cc1)CSCCc2cccnc2 62a_200011713674_100015291786 [0,0,0,0,0,2|2,0,0]=4 16772 B17R2.2382 c1ccc(cc1)CSCCc2ccncc2 62a_100000211182_100000723409 [0,0,0,0,0,2|2,0,0]=4 16773 B17R2.2382 c1ccc(cc1)CSCCc2ccncc2 62a_100000723409_100015291786 [0,0,0,0,0,2|2,0,0]=4 16774 B17R2.2382 c1ccc(cc1)CSCNc2ccccc2 34a_100000106764_200011217039 [0,0,0,0,0,2|1,0,0]=3 16775 B17R2.2382 c1ccc(cc1)CSCOc2ccccc2 34a_100000210340_200011217039 [0,0,0,0,0,2|0,1,0]=3 16776 B17R2.2382 c1ccc(cc1)CSCOc2cccnc2 34a_100000210849_200011217039 [0,0,0,0,0,2|1,1,0]=4 16777 B17R2.2382 c1ccc(cc1)CSCOc2ccncc2 34a_100000212176_200011217039 [0,0,0,0,0,2|1,1,0]=4 16778 B17R2.2382 c1ccc(cc1)CSCSc2ccccc2 62a_100000211182_100011218342 [0,0,0,0,0,2|0,0,0]=2 16779 B17R2.2382 c1ccc(cc1)CSCSc2ccccc2 62a_100000719477_200011217039 [0,0,0,0,0,2|0,0,0]=2 16780 B17R2.2382 c1ccc(cc1)CSCSc2ccccc2 62a_100011218342_100015291786 [0,0,0,0,0,2|0,0,0]=2 16781 B17R2.2382 c1ccc(cc1)CSCSc2ccccc2 62a_200011217039_100000041952 [0,0,0,0,0,2|0,0,0]=2 16782 B17R2.2382 c1ccc(cc1)CSCSc2ccccn2 62a_100011216584_200011217039 [0,0,0,0,0,2|1,0,0]=3 16783 B17R2.2382 c1ccc(cc1)CSCSc2ccccn2 62a_200011217039_100011216584 [0,0,0,0,0,2|1,0,0]=3 16784 B17R2.2382 c1ccc(cc1)CSCSc2cccnc2 62a_100000210063_200011217039 [0,0,0,0,0,2|1,0,0]=3 16785 B17R2.2382 c1ccc(cc1)CSCSc2cccnc2 62a_200011217039_100000210063 [0,0,0,0,0,2|1,0,0]=3 16786 B17R2.2382 c1ccc(cc1)CSCSc2cccnn2 62a_100016991348_200011217039 [0,0,0,0,0,2|2,0,0]=4 16787 B17R2.2382 c1ccc(cc1)CSCSc2cccnn2 62a_200011217039_100016991348 [0,0,0,0,0,2|2,0,0]=4 16788 B17R2.2382 c1ccc(cc1)CSCSc2ccncc2 62a_100000728582_200011217039 [0,0,0,0,0,2|1,0,0]=3 16789 B17R2.2382 c1ccc(cc1)CSCSc2ccncc2 62a_200011217039_100000728582 [0,0,0,0,0,2|1,0,0]=3 16790 B17R2.2382 c1ccc(cc1)CSCSc2ccncn2 62a_100000703185_200011217039 [0,0,0,0,0,2|2,0,0]=4 16791 B17R2.2382 c1ccc(cc1)CSCSc2ccncn2 62a_200011217039_100000703185 [0,0,0,0,0,2|2,0,0]=4 16792 B17R2.2382 c1ccc(cc1)CSCSc2ccnnc2 62a_100000732662_200011217039 [0,0,0,0,0,2|2,0,0]=4 16793 B17R2.2382 c1ccc(cc1)CSCSc2ccnnc2 62a_200011217039_100000732662 [0,0,0,0,0,2|2,0,0]=4 16794 B17R2.2382 c1ccc(cc1)CSCSc2cnccn2 62a_100000211759_200011217039 [0,0,0,0,0,2|2,0,0]=4 16795 B17R2.2382 c1ccc(cc1)CSCSc2cnccn2 62a_200011217039_100000211759 [0,0,0,0,0,2|2,0,0]=4 16796 B17R2.2382 c1ccc(cc1)CSCSc2cncnc2 62a_100011206942_200011217039 [0,0,0,0,0,2|2,0,0]=4 16797 B17R2.2382 c1ccc(cc1)CSCSc2cncnc2 62a_200011217039_100011206942 [0,0,0,0,0,2|2,0,0]=4 16798 B17R2.2382 c1ccc(cc1)CSCSc2ncccn2 62a_100000211032_200011217039 [0,0,0,0,0,2|2,0,0]=4 16799 B17R2.2382 c1ccc(cc1)CSCSc2ncccn2 62a_200011217039_100000211032 [0,0,0,0,0,2|2,0,0]=4 16800 B17R2.2382 c1ccc(cc1)NCCOc2ccccc2 34a_100000106764_100000184471 [0,0,0,0,0,2|1,1,0]=4 16801 B17R2.2382 c1ccc(cc1)NCCSc2ccccc2 34a_100000106764_100000246102 [0,0,0,0,0,2|1,0,0]=3 16802 B17R2.2382 c1ccc(cc1)OCCOc2ccccc2 34a_100000210340_100000184471 [0,0,0,0,0,2|0,2,0]=4 16803 B17R2.2382 c1ccc(cc1)OCCOc2ccccc2 7a_100000210340_100000184471 [0,0,0,0,0,2|0,2,0]=4 16804 B17R2.2382 c1ccc(cc1)OCCSc2ccccc2 34a_100000210340_100000246102 [0,0,0,0,0,2|0,1,0]=3 16805 B17R2.2382 c1ccc(cc1)OCCSc2ccccc2 62a_100000184471_100000041952 [0,0,0,0,0,2|0,1,0]=3 16806 B17R2.2382 c1ccc(cc1)OCCSc2ccccc2 62a_100000719477_100000184471 [0,0,0,0,0,2|0,1,0]=3 16807 B17R2.2382 c1ccc(cc1)OCCSc2ccccc2 7a_100000210340_100000246102 [0,0,0,0,0,2|0,1,0]=3 16808 B17R2.2382 c1ccc(cc1)OCCSc2ccccn2 62a_100000184471_100011216584 [0,0,0,0,0,2|1,1,0]=4 16809 B17R2.2382 c1ccc(cc1)OCCSc2ccccn2 62a_100011216584_100000184471 [0,0,0,0,0,2|1,1,0]=4 16810 B17R2.2382 c1ccc(cc1)OCCSc2cccnc2 62a_100000184471_100000210063 [0,0,0,0,0,2|1,1,0]=4 16811 B17R2.2382 c1ccc(cc1)OCCSc2cccnc2 62a_100000210063_100000184471 [0,0,0,0,0,2|1,1,0]=4 16812 B17R2.2382 c1ccc(cc1)OCCSc2ccncc2 62a_100000184471_100000728582 [0,0,0,0,0,2|1,1,0]=4 16813 B17R2.2382 c1ccc(cc1)OCCSc2ccncc2 62a_100000728582_100000184471 [0,0,0,0,0,2|1,1,0]=4 16814 B17R2.2382 c1ccc(cc1)SCCOc2cccnc2 34a_100000210849_100000246102 [0,0,0,0,0,2|1,1,0]=4 16815 B17R2.2382 c1ccc(cc1)SCCOc2cccnc2 7a_100000210849_100000246102 [0,0,0,0,0,2|1,1,0]=4 16816 B17R2.2382 c1ccc(cc1)SCCOc2ccncc2 34a_100000212176_100000246102 [0,0,0,0,0,2|1,1,0]=4 16817 B17R2.2382 c1ccc(cc1)SCCSc2ccccc2 62a_100000246102_100000041952 [0,0,0,0,0,2|0,0,0]=2 16818 B17R2.2382 c1ccc(cc1)SCCSc2ccccc2 62a_100000719477_100000246102 [0,0,0,0,0,2|0,0,0]=2 16819 B17R2.2382 c1ccc(cc1)SCCSc2ccccn2 62a_100000246102_100011216584 [0,0,0,0,0,2|1,0,0]=3 16820 B17R2.2382 c1ccc(cc1)SCCSc2ccccn2 62a_100011216584_100000246102 [0,0,0,0,0,2|1,0,0]=3 16821 B17R2.2382 c1ccc(cc1)SCCSc2cccnc2 62a_100000210063_100000246102 [0,0,0,0,0,2|1,0,0]=3 16822 B17R2.2382 c1ccc(cc1)SCCSc2cccnc2 62a_100000246102_100000210063 [0,0,0,0,0,2|1,0,0]=3 16823 B17R2.2382 c1ccc(cc1)SCCSc2cccnn2 62a_100000246102_100016991348 [0,0,0,0,0,2|2,0,0]=4 16824 B17R2.2382 c1ccc(cc1)SCCSc2cccnn2 62a_100016991348_100000246102 [0,0,0,0,0,2|2,0,0]=4 16825 B17R2.2382 c1ccc(cc1)SCCSc2ccncc2 62a_100000246102_100000728582 [0,0,0,0,0,2|1,0,0]=3 16826 B17R2.2382 c1ccc(cc1)SCCSc2ccncc2 62a_100000728582_100000246102 [0,0,0,0,0,2|1,0,0]=3 16827 B17R2.2382 c1ccc(cc1)SCCSc2ccncn2 62a_100000246102_100000703185 [0,0,0,0,0,2|2,0,0]=4 16828 B17R2.2382 c1ccc(cc1)SCCSc2ccncn2 62a_100000703185_100000246102 [0,0,0,0,0,2|2,0,0]=4 16829 B17R2.2382 c1ccc(cc1)SCCSc2ccnnc2 62a_100000246102_100000732662 [0,0,0,0,0,2|2,0,0]=4 16830 B17R2.2382 c1ccc(cc1)SCCSc2ccnnc2 62a_100000732662_100000246102 [0,0,0,0,0,2|2,0,0]=4 16831 B17R2.2382 c1ccc(cc1)SCCSc2cnccn2 62a_100000211759_100000246102 [0,0,0,0,0,2|2,0,0]=4 16832 B17R2.2382 c1ccc(cc1)SCCSc2cnccn2 62a_100000246102_100000211759 [0,0,0,0,0,2|2,0,0]=4 16833 B17R2.2382 c1ccc(cc1)SCCSc2cncnc2 62a_100000246102_100011206942 [0,0,0,0,0,2|2,0,0]=4 16834 B17R2.2382 c1ccc(cc1)SCCSc2cncnc2 62a_100011206942_100000246102 [0,0,0,0,0,2|2,0,0]=4 16835 B17R2.2382 c1ccc(cc1)SCCSc2ncccn2 62a_100000211032_100000246102 [0,0,0,0,0,2|2,0,0]=4 16836 B17R2.2382 c1ccc(cc1)SCCSc2ncccn2 62a_100000246102_100000211032 [0,0,0,0,0,2|2,0,0]=4 16837 B17R2.2382 c1ccc(cc1)SCSCc2ccccn2 62a_100000721315_100011218342 [0,0,0,0,0,2|1,0,0]=3 16838 B17R2.2382 c1ccc(cc1)SCSCc2ccccn2 62a_100011218342_100000721315 [0,0,0,0,0,2|1,0,0]=3 16839 B17R2.2382 c1ccc(cc1)SCSCc2cccnc2 62a_100000741622_100011218342 [0,0,0,0,0,2|1,0,0]=3 16840 B17R2.2382 c1ccc(cc1)SCSCc2cccnc2 62a_100011218342_100000741622 [0,0,0,0,0,2|1,0,0]=3 16841 B17R2.2382 c1ccc(cc1)SCSCc2cccnn2 62a_100011218342_100016990269 [0,0,0,0,0,2|2,0,0]=4 16842 B17R2.2382 c1ccc(cc1)SCSCc2cccnn2 62a_100016990269_100011218342 [0,0,0,0,0,2|2,0,0]=4 16843 B17R2.2382 c1ccc(cc1)SCSCc2ccncc2 62a_100011218342_100015193705 [0,0,0,0,0,2|1,0,0]=3 16844 B17R2.2382 c1ccc(cc1)SCSCc2ccncc2 62a_100015193705_100011218342 [0,0,0,0,0,2|1,0,0]=3 16845 B17R2.2382 c1ccc(cc1)SCSCc2cnccn2 62a_100011218342_100016995436 [0,0,0,0,0,2|2,0,0]=4 16846 B17R2.2382 c1ccc(cc1)SCSCc2cnccn2 62a_100016995436_100011218342 [0,0,0,0,0,2|2,0,0]=4 16847 B17R2.2382 c1ccc(cc1)SCSCc2cncnc2 62a_100011218342_100015196519 [0,0,0,0,0,2|2,0,0]=4 16848 B17R2.2382 c1ccc(cc1)SCSCc2cncnc2 62a_100015196519_100011218342 [0,0,0,0,0,2|2,0,0]=4 16849 B17R2.2382 c1ccc(cc1)SCSCc2ncccn2 62a_100000703007_100011218342 [0,0,0,0,0,2|2,0,0]=4 16850 B17R2.2382 c1ccc(cc1)SCSCc2ncccn2 62a_100011218342_100000703007 [0,0,0,0,0,2|2,0,0]=4