0 B19R3.2370 C(#Cc1c[nH]c2c1cccn2)c3ccccc3 271570a_100000069678_100011934613 [0,0,0,0,0,0|2,0,2]=4 1 B19R3.2370 C(#Cc1c[nH]c2c1ccnc2)c3ccccc3 271570a_100000069678_100010232032 [0,0,0,0,0,0|2,0,2]=4 2 B19R3.2370 C(#Cc1c[nH]c2c1cncc2)c3ccccc3 271570a_100000069678_100011934843 [0,0,0,0,0,0|2,0,2]=4 3 B19R3.2370 C(#Cc1c[nH]c2c1nccc2)c3ccccc3 271570a_100000069678_100009817151 [0,0,0,0,0,0|2,0,2]=4 4 B19R3.2370 C(#Cc1coc2c1cccc2)c3ccccc3 271570a_100000069678_100009812202 [0,0,0,0,0,0|2,0,2]=4 5 B19R3.2370 C(#Cc1csc2c1cccc2)c3ccccc3 271570a_100000069678_100009813928 [0,0,0,0,0,0|2,0,2]=4 6 B19R3.2370 C(#Cc1n[nH]c2c1cccc2)c3ccccc3 271570a_100000069678_100000050141 [0,0,0,0,0,0|2,0,2]=4 7 B19R3.2370 C(=Cc1c[nH]c2c1cccn2)c3ccccc3 271570a_100102527694_100011934613 [0,0,0,0,0,0|2,0,2]=4 8 B19R3.2370 C(=Cc1c[nH]c2c1ccnc2)c3ccccc3 271570a_100102527694_100010232032 [0,0,0,0,0,0|2,0,2]=4 9 B19R3.2370 C(=Cc1c[nH]c2c1cncc2)c3ccccc3 271570a_100102527694_100011934843 [0,0,0,0,0,0|2,0,2]=4 10 B19R3.2370 C(=Cc1c[nH]c2c1nccc2)c3ccccc3 271570a_100102527694_100009817151 [0,0,0,0,0,0|2,0,2]=4 11 B19R3.2370 C(=Cc1coc2c1cccc2)c3ccccc3 271570a_100102527694_100009812202 [0,0,0,0,0,0|2,0,2]=4 12 B19R3.2370 C(=Cc1csc2c1cccc2)c3ccccc3 271570a_100102527694_100009813928 [0,0,0,0,0,0|2,0,2]=4 13 B19R3.2370 C(=Cc1n[nH]c2c1cccc2)c3ccccc3 271570a_100102527694_100000050141 [0,0,0,0,0,0|2,0,2]=4 14 B19R3.2370 c1cc(ccn1)CNc2cnn3c2cncc3 27a_100000210450_100010892148 [0,0,0,0,0,0|3,0,1]=4 15 B19R3.2370 c1cc(ccn1)CNc2csc3c2nccn3 27a_100000210450_100010174841 [0,0,0,0,0,0|4,0,0]=4 16 B19R3.2370 c1cc(ccn1)CNc2n[nH]c3c2cncc3 27a_100000210450_100009820117 [0,0,0,0,0,0|3,0,0]=3 17 B19R3.2370 c1cc(ccn1)CNc2n[nH]c3c2cncn3 27a_100000210450_100009875510 [0,0,0,0,0,0|4,0,0]=4 18 B19R3.2370 c1cc(ccn1)CNc2n[nH]c3c2nccn3 27a_100000210450_100009819591 [0,0,0,0,0,0|4,0,0]=4 19 B19R3.2370 c1cc(ccn1)CSc2c[nH]c3c2ccnc3 62a_100015193705_100010232032 [0,0,0,0,0,0|2,0,0]=2 20 B19R3.2370 c1cc(ccn1)CSc2c[nH]c3c2cncc3 62a_100015193705_100000753697 [0,0,0,0,0,0|2,0,0]=2 21 B19R3.2370 c1cc(ccn1)CSc2c[nH]c3c2cncn3 62a_100009817560_100015193705 [0,0,0,0,0,0|3,0,0]=3 22 B19R3.2370 c1cc(ccn1)CSc2c[nH]c3c2cncn3 62a_100015193705_100000072862 [0,0,0,0,0,0|3,0,0]=3 23 B19R3.2370 c1cc(ccn1)CSc2c[nH]c3c2nccn3 62a_100015193705_100009819587 [0,0,0,0,0,0|3,0,0]=3 24 B19R3.2370 c1cc(ccn1)CSc2cnc3n2ccnc3 62a_100011934586_100015193705 [0,0,0,0,0,0|3,0,1]=4 25 B19R3.2370 c1cc(ccn1)CSc2cnc3n2ccnc3 62a_100015193705_100011934586 [0,0,0,0,0,0|3,0,1]=4 26 B19R3.2370 c1cc(ccn1)CSc2cnn3c2cncc3 62a_100010892148_100015193705 [0,0,0,0,0,0|3,0,1]=4 27 B19R3.2370 c1cc(ccn1)CSc2cnn3c2cncc3 62a_100015193705_100010892148 [0,0,0,0,0,0|3,0,1]=4 28 B19R3.2370 c1cc(ccn1)CSc2csc3c2ccnc3 62a_100009817111_100015193705 [0,0,0,0,0,0|3,0,0]=3 29 B19R3.2370 c1cc(ccn1)CSc2csc3c2ccnc3 62a_100015193705_100009817111 [0,0,0,0,0,0|3,0,0]=3 30 B19R3.2370 c1cc(ccn1)CSc2csc3c2cncc3 62a_100010247091_100015193705 [0,0,0,0,0,0|3,0,0]=3 31 B19R3.2370 c1cc(ccn1)CSc2csc3c2cncc3 62a_100015193705_100010247091 [0,0,0,0,0,0|3,0,0]=3 32 B19R3.2370 c1cc(ccn1)CSc2csc3c2nccn3 62a_100015193705_100010174841 [0,0,0,0,0,0|4,0,0]=4 33 B19R3.2370 c1cc(ccn1)CSc2n[nH]c3c2ccnc3 62a_100015193705_100010244369 [0,0,0,0,0,0|3,0,0]=3 34 B19R3.2370 c1cc(ccn1)CSc2n[nH]c3c2cncc3 62a_100015193705_100009820117 [0,0,0,0,0,0|3,0,0]=3 35 B19R3.2370 c1cc(ccn1)CSc2n[nH]c3c2cncn3 62a_100009875510_100015193705 [0,0,0,0,0,0|4,0,0]=4 36 B19R3.2370 c1cc(ccn1)CSc2n[nH]c3c2cncn3 62a_100015193705_100009875510 [0,0,0,0,0,0|4,0,0]=4 37 B19R3.2370 c1cc(ccn1)CSc2n[nH]c3c2nccn3 62a_100015193705_100009819591 [0,0,0,0,0,0|4,0,0]=4 38 B19R3.2370 c1cc(ncn1)CNc2n[nH]c3c2cncc3 27a_100000736019_100009820117 [0,0,0,0,0,0|4,0,0]=4 39 B19R3.2370 c1ccc(cc1)CNc2n[nH]c3c2cccn3 27a_100015324214_100009818534 [0,0,0,0,0,0|4,0,0]=4 40 B19R3.2370 c1ccc(cc1)CNc2n[nH]c3c2cncc3 27a_100015324214_100009820117 [0,0,0,0,0,0|4,0,0]=4 41 B19R3.2370 c1ccc(cc1)CNc2n[nH]c3c2nccc3 27a_100015324214_100009817118 [0,0,0,0,0,0|4,0,0]=4 42 B19R3.2370 c1ccc(cc1)COc2csc3c2cccc3 34a_100000077758_100015291786 [0,0,0,0,0,0|3,0,0]=3 43 B19R3.2370 c1ccc(cc1)COc2csc3c2cccc3 7a_100000077758_100000211182 [0,0,0,0,0,0|3,0,0]=3 44 B19R3.2370 c1ccc(cc1)CSc2c[nH]c3c2cccn3 62a_100000211182_100011934613 [0,0,0,0,0,0|3,0,0]=3 45 B19R3.2370 c1ccc(cc1)CSc2c[nH]c3c2ccnc3 62a_100000211182_100010232032 [0,0,0,0,0,0|3,0,0]=3 46 B19R3.2370 c1ccc(cc1)CSc2c[nH]c3c2cncc3 62a_100000211182_100000753697 [0,0,0,0,0,0|3,0,0]=3 47 B19R3.2370 c1ccc(cc1)CSc2c[nH]c3c2cncn3 62a_100000211182_100000072862 [0,0,0,0,0,0|4,0,0]=4 48 B19R3.2370 c1ccc(cc1)CSc2c[nH]c3c2cncn3 62a_100009817560_100015291786 [0,0,0,0,0,0|4,0,0]=4 49 B19R3.2370 c1ccc(cc1)CSc2c[nH]c3c2nccc3 62a_100000211182_100009817151 [0,0,0,0,0,0|3,0,0]=3 50 B19R3.2370 c1ccc(cc1)CSc2c[nH]c3c2nccn3 62a_100000211182_100009819587 [0,0,0,0,0,0|4,0,0]=4 51 B19R3.2370 c1ccc(cc1)CSc2cnc3n2cccc3 62a_100000211182_100011219245 [0,0,0,0,0,0|3,0,1]=4 52 B19R3.2370 c1ccc(cc1)CSc2cnn3c2cccc3 62a_100000211182_100009817726 [0,0,0,0,0,0|3,0,1]=4 53 B19R3.2370 c1ccc(cc1)CSc2coc3c2cccc3 62a_100000211182_100009812202 [0,0,0,0,0,0|3,0,0]=3 54 B19R3.2370 c1ccc(cc1)CSc2coc3c2nccc3 62a_100000211182_100009889148 [0,0,0,0,0,0|4,0,0]=4 55 B19R3.2370 c1ccc(cc1)CSc2csc3c2cccc3 62a_100000211182_100009813928 [0,0,0,0,0,0|3,0,0]=3 56 B19R3.2370 c1ccc(cc1)CSc2csc3c2cccn3 62a_100000211182_100009830249 [0,0,0,0,0,0|4,0,0]=4 57 B19R3.2370 c1ccc(cc1)CSc2csc3c2cccn3 62a_100009830249_100015291786 [0,0,0,0,0,0|4,0,0]=4 58 B19R3.2370 c1ccc(cc1)CSc2csc3c2ccnc3 62a_100000211182_100009817111 [0,0,0,0,0,0|4,0,0]=4 59 B19R3.2370 c1ccc(cc1)CSc2csc3c2ccnc3 62a_100009817111_100015291786 [0,0,0,0,0,0|4,0,0]=4 60 B19R3.2370 c1ccc(cc1)CSc2csc3c2cncc3 62a_100000211182_100010247091 [0,0,0,0,0,0|4,0,0]=4 61 B19R3.2370 c1ccc(cc1)CSc2csc3c2cncc3 62a_100010247091_100015291786 [0,0,0,0,0,0|4,0,0]=4 62 B19R3.2370 c1ccc(cc1)CSc2csc3c2nccc3 62a_100000211182_100010247092 [0,0,0,0,0,0|4,0,0]=4 63 B19R3.2370 c1ccc(cc1)CSc2n[nH]c3c2cccc3 62a_100000211182_100000050141 [0,0,0,0,0,0|3,0,0]=3 64 B19R3.2370 c1ccc(cc1)CSc2n[nH]c3c2cccn3 62a_100000211182_100009888962 [0,0,0,0,0,0|4,0,0]=4 65 B19R3.2370 c1ccc(cc1)CSc2n[nH]c3c2ccnc3 62a_100000211182_100010244369 [0,0,0,0,0,0|4,0,0]=4 66 B19R3.2370 c1ccc(cc1)CSc2n[nH]c3c2cncc3 62a_100000211182_100009820117 [0,0,0,0,0,0|4,0,0]=4 67 B19R3.2370 c1ccc(cc1)CSc2n[nH]c3c2nccc3 62a_100000211182_100009817118 [0,0,0,0,0,0|4,0,0]=4 68 B19R3.2370 c1ccc(cc1)CSc2noc3c2cccc3 62a_100000211182_200000703156 [0,0,0,0,0,0|4,0,0]=4 69 B19R3.2370 c1ccc(cc1)CSc2noc3c2cccc3 62a_200000703156_100015291786 [0,0,0,0,0,0|4,0,0]=4 70 B19R3.2370 c1ccc(cc1)NCc2c[nH]c3c2cccn3 270302a_100000106764_100000187067 [0,0,0,0,0,0|3,0,0]=3 71 B19R3.2370 c1ccc(cc1)NCc2c[nH]c3c2nccc3 270302a_100000106764_100000133833 [0,0,0,0,0,0|3,0,0]=3 72 B19R3.2370 c1ccc(cc1)NCc2cnc3n2cccc3 207a_100000106764_100000052358 [0,0,0,0,0,0|3,0,1]=4 73 B19R3.2370 c1ccc(cc1)NCc2cnc3n2cccc3 270302a_100000106764_100000052358 [0,0,0,0,0,0|3,0,1]=4 74 B19R3.2370 c1ccc(cc1)NCc2cnn3c2cccc3 207a_100000106764_100011787723 [0,0,0,0,0,0|3,0,1]=4 75 B19R3.2370 c1ccc(cc1)NCc2coc3c2cccc3 207a_100000106764_100000688544 [0,0,0,0,0,0|3,0,0]=3 76 B19R3.2370 c1ccc(cc1)NCc2coc3c2cccc3 270302a_100000106764_100000688544 [0,0,0,0,0,0|3,0,0]=3 77 B19R3.2370 c1ccc(cc1)NCc2csc3c2cccc3 207a_100000106764_100000239721 [0,0,0,0,0,0|3,0,0]=3 78 B19R3.2370 c1ccc(cc1)NCc2csc3c2cccc3 270302a_100000106764_100000239721 [0,0,0,0,0,0|3,0,0]=3 79 B19R3.2370 c1ccc(cc1)NCc2csc3c2cccc3 34a_100000106764_200000742921 [0,0,0,0,0,0|3,0,0]=3 80 B19R3.2370 c1ccc(cc1)NCc2n[nH]c3c2cccc3 207a_100000106764_100000059708 [0,0,0,0,0,0|3,0,0]=3 81 B19R3.2370 c1ccc(cc1)NCc2n[nH]c3c2cccc3 270302a_100000106764_100000059708 [0,0,0,0,0,0|3,0,0]=3 82 B19R3.2370 c1ccc(cc1)NCc2noc3c2cccc3 34a_100000106764_100009813815 [0,0,0,0,0,0|4,0,0]=4 83 B19R3.2370 c1ccc(cc1)OCc2csc3c2cccc3 34a_100000210340_200000742921 [0,0,0,0,0,0|3,0,0]=3 84 B19R3.2370 c1ccc(cc1)OCc2noc3c2cccc3 34a_100000210340_100009813815 [0,0,0,0,0,0|4,0,0]=4 85 B19R3.2370 c1ccc(cc1)OCc2noc3c2cccc3 7a_100000210340_100009813815 [0,0,0,0,0,0|4,0,0]=4 86 B19R3.2370 c1ccc(cc1)SCc2csc3c2cccc3 62a_100000719477_200000742921 [0,0,0,0,0,0|3,0,0]=3 87 B19R3.2370 c1ccc(cc1)SCc2csc3c2cccc3 62a_200000742921_100000041952 [0,0,0,0,0,0|3,0,0]=3 88 B19R3.2370 c1ccc(cc1)SCc2noc3c2cccc3 62a_100000719477_100009813815 [0,0,0,0,0,0|4,0,0]=4 89 B19R3.2370 c1ccc(cc1)SCc2noc3c2cccc3 62a_100009813815_100000041952 [0,0,0,0,0,0|4,0,0]=4 90 B19R3.2370 c1ccc(nc1)COc2csc3c2cccc3 34a_100000077758_100000721315 [0,0,0,0,0,0|4,0,0]=4 91 B19R3.2370 c1ccc(nc1)COc2csc3c2cccc3 7a_100000077758_100000721315 [0,0,0,0,0,0|4,0,0]=4 92 B19R3.2370 c1ccc(nc1)CSc2c[nH]c3c2cccn3 62a_100000721315_100011934613 [0,0,0,0,0,0|4,0,0]=4 93 B19R3.2370 c1ccc(nc1)CSc2c[nH]c3c2ccnc3 62a_100000721315_100010232032 [0,0,0,0,0,0|4,0,0]=4 94 B19R3.2370 c1ccc(nc1)CSc2c[nH]c3c2cncc3 62a_100000721315_100000753697 [0,0,0,0,0,0|4,0,0]=4 95 B19R3.2370 c1ccc(nc1)CSc2c[nH]c3c2nccc3 62a_100000721315_100009817151 [0,0,0,0,0,0|4,0,0]=4 96 B19R3.2370 c1ccc(nc1)CSc2coc3c2cccc3 62a_100000721315_100009812202 [0,0,0,0,0,0|4,0,0]=4 97 B19R3.2370 c1ccc(nc1)CSc2csc3c2cccc3 62a_100000721315_100009813928 [0,0,0,0,0,0|4,0,0]=4 98 B19R3.2370 c1ccc(nc1)CSc2n[nH]c3c2cccc3 62a_100000721315_100000050141 [0,0,0,0,0,0|4,0,0]=4 99 B19R3.2370 c1ccc(nc1)SCc2csc3c2cccc3 62a_100011216584_200000742921 [0,0,0,0,0,0|4,0,0]=4 100 B19R3.2370 c1ccc(nc1)SCc2csc3c2cccc3 62a_200000742921_100011216584 [0,0,0,0,0,0|4,0,0]=4 101 B19R3.2370 c1ccc2c(c1)CCC2=NNc3ccncc3 4a_100000698918_100000212051 [0,0,0,0,0,0|3,0,1]=4 102 B19R3.2370 c1ccc2c(c1)CCC2NCc3ccncc3 269862a_100000210450_100000212051 [0,0,0,0,0,0|2,0,2]=4 103 B19R3.2370 c1ccc2c(c1)CCC2OCc3ccncc3 7a_100000212247_100015193705 [0,0,0,0,0,0|2,0,2]=4 104 B19R3.2370 c1ccc2c(c1)CCC2SCc3ccncc3 62a_100015193705_200000721974 [0,0,0,0,0,0|2,0,2]=4 105 B19R3.2370 c1ccc2c(c1)CC[C@@H]2NCc3ccncc3 207a_100016989578_100000186114 [0,0,0,0,0,0|2,0,2]=4 106 B19R3.2370 c1ccc2c(c1)CC[C@@H]2NCc3ccncc3 2230a_100016989578_100015193705 [0,0,0,0,0,0|2,0,2]=4 107 B19R3.2370 c1ccc2c(c1)OCC2=NNc3ccncc3 4a_100000698918_100000185568 [0,0,0,0,0,0|3,0,1]=4 108 B19R3.2370 c1ccc2c(c1)OCC2NCc3ccncc3 207a_100000747519_100000186114 [0,0,0,0,0,0|2,0,2]=4 109 B19R3.2370 c1ccc2c(c1)OCC2NCc3ccncc3 2230a_100000747519_100015193705 [0,0,0,0,0,0|2,0,2]=4 110 B19R3.2370 c1ccc2c(c1)SCC2=NNc3ccncc3 4a_100000698918_100000062685 [0,0,0,0,0,0|3,0,1]=4 111 B19R3.2370 c1ccc2c(c1)nnn2COc3ccncc3 34a_100000212176_100000033166 [0,0,0,0,0,0|3,0,1]=4 112 B19R3.2370 c1ccc2c(c1)nnn2CSc3ccncc3 62a_100000728582_100000033166 [0,0,0,0,0,0|3,0,1]=4 113 B19R3.2370 c1ccc2c(coc2c1)SCc3ccncc3 62a_100015193705_100009812202 [0,0,0,0,0,0|2,0,0]=2 114 B19R3.2370 c1ccc2c(csc2c1)CNc3ccncn3 27a_100000744611_100000703185 [0,0,0,0,0,0|3,0,0]=3 115 B19R3.2370 c1ccc2c(csc2c1)COc3ccncc3 34a_100000212176_200000742921 [0,0,0,0,0,0|2,0,0]=2 116 B19R3.2370 c1ccc2c(csc2c1)COc3ccnnc3 34a_100015204005_200000742921 [0,0,0,0,0,0|3,0,0]=3 117 B19R3.2370 c1ccc2c(csc2c1)CSc3ccncc3 62a_100000728582_200000742921 [0,0,0,0,0,0|2,0,0]=2 118 B19R3.2370 c1ccc2c(csc2c1)CSc3ccncc3 62a_200000742921_100000728582 [0,0,0,0,0,0|2,0,0]=2 119 B19R3.2370 c1ccc2c(csc2c1)CSc3ccncn3 62a_100000703185_200000742921 [0,0,0,0,0,0|3,0,0]=3 120 B19R3.2370 c1ccc2c(csc2c1)CSc3ccncn3 62a_200000742921_100000703185 [0,0,0,0,0,0|3,0,0]=3 121 B19R3.2370 c1ccc2c(csc2c1)CSc3ccnnc3 62a_100000732662_200000742921 [0,0,0,0,0,0|3,0,0]=3 122 B19R3.2370 c1ccc2c(csc2c1)CSc3ccnnc3 62a_200000742921_100000732662 [0,0,0,0,0,0|3,0,0]=3 123 B19R3.2370 c1ccc2c(csc2c1)CSc3cnnnc3 62a_100009846058_200000742921 [0,0,0,0,0,0|4,0,0]=4 124 B19R3.2370 c1ccc2c(csc2c1)CSc3cnnnc3 62a_200000742921_100009846058 [0,0,0,0,0,0|4,0,0]=4 125 B19R3.2370 c1ccc2c(csc2c1)OCc3ccncc3 7a_100000077758_100015193705 [0,0,0,0,0,0|2,0,0]=2 126 B19R3.2370 c1ccc2c(csc2c1)SCc3ccncc3 62a_100015193705_100009813928 [0,0,0,0,0,0|2,0,0]=2 127 B19R3.2370 c1ccc2c(n[nH]c2c1)SCc3ccncc3 62a_100015193705_100000050141 [0,0,0,0,0,0|2,0,0]=2 128 B19R3.2370 c1ccc2c(noc2c1)COc3ccncc3 34a_100000212176_100009813815 [0,0,0,0,0,0|3,0,0]=3 129 B19R3.2370 c1ccc2c(noc2c1)COc3ccnnc3 34a_100015204005_100009813815 [0,0,0,0,0,0|4,0,0]=4 130 B19R3.2370 c1ccc2c(noc2c1)CSc3ccncc3 62a_100000728582_100009813815 [0,0,0,0,0,0|3,0,0]=3 131 B19R3.2370 c1ccc2c(noc2c1)CSc3ccncc3 62a_100009813815_100000728582 [0,0,0,0,0,0|3,0,0]=3 132 B19R3.2370 c1ccc2c(noc2c1)CSc3ccncn3 62a_100000703185_100009813815 [0,0,0,0,0,0|4,0,0]=4 133 B19R3.2370 c1ccc2c(noc2c1)CSc3ccncn3 62a_100009813815_100000703185 [0,0,0,0,0,0|4,0,0]=4 134 B19R3.2370 c1ccc2c(noc2c1)CSc3ccnnc3 62a_100000732662_100009813815 [0,0,0,0,0,0|4,0,0]=4 135 B19R3.2370 c1ccc2c(noc2c1)CSc3ccnnc3 62a_100009813815_100000732662 [0,0,0,0,0,0|4,0,0]=4 136 B19R3.2370 c1ccc2c(noc2c1)SCc3ccncc3 62a_100015193705_200000703156 [0,0,0,0,0,0|3,0,0]=3 137 B19R3.2370 c1ccc2c(noc2c1)SCc3ccncc3 62a_200000703156_100015193705 [0,0,0,0,0,0|3,0,0]=3 138 B19R3.2370 c1ccn2c(cnc2c1)CNc3ccncn3 27a_100015187830_100000703185 [0,0,0,0,0,0|3,0,1]=4 139 B19R3.2370 c1ccn2c(cnc2c1)SCc3ccncc3 62a_100015193705_100011219245 [0,0,0,0,0,0|2,0,1]=3 140 B19R3.2370 c1ccn2c(nnc2c1)CSc3ccncc3 62a_100000037651_100000728582 [0,0,0,0,0,0|3,0,1]=4 141 B19R3.2370 c1ccn2c(nnc2c1)CSc3ccncc3 62a_100000728582_100000037651 [0,0,0,0,0,0|3,0,1]=4 142 B19R3.2370 c1ccn2c(nnc2c1)SCc3ccncc3 62a_100000699609_100015193705 [0,0,0,0,0,0|3,0,1]=4 143 B19R3.2370 c1ccn2c(nnc2c1)SCc3ccncc3 62a_100015193705_100000699609 [0,0,0,0,0,0|3,0,1]=4 144 B19R3.2370 c1ccn2cnc(c2c1)SCc3ccncc3 62a_100015193705_100010892795 [0,0,0,0,0,0|4,0,0]=4 145 B19R3.2370 c1ccn2ncc(c2c1)SCc3ccncc3 62a_100015193705_100009817726 [0,0,0,0,0,0|2,0,1]=3 146 B19R3.2370 c1cnc2[nH]cc(c2c1)SCc3ccncc3 62a_100015193705_100011934613 [0,0,0,0,0,0|2,0,0]=2 147 B19R3.2370 c1cnc2[nH]nc(c2c1)NCc3ccncc3 27a_100000210450_100009818534 [0,0,0,0,0,0|3,0,0]=3 148 B19R3.2370 c1cnc2[nH]nc(c2c1)NCc3ccncn3 27a_100000736019_100009818534 [0,0,0,0,0,0|4,0,0]=4 149 B19R3.2370 c1cnc2[nH]nc(c2c1)SCc3ccncc3 62a_100015193705_100009888962 [0,0,0,0,0,0|3,0,0]=3 150 B19R3.2370 c1cnc2c(c[nH]c2c1)SCc3ccncc3 62a_100015193705_100009817151 [0,0,0,0,0,0|2,0,0]=2 151 B19R3.2370 c1cnc2c(cnn2c1)NCc3ccncc3 27a_100000210450_100009819579 [0,0,0,0,0,0|3,0,1]=4 152 B19R3.2370 c1cnc2c(cnn2c1)SCc3ccncc3 62a_100015193705_100009819579 [0,0,0,0,0,0|3,0,1]=4 153 B19R3.2370 c1cnc2c(coc2c1)SCc3ccncc3 62a_100015193705_100009889148 [0,0,0,0,0,0|3,0,0]=3 154 B19R3.2370 c1cnc2c(csc2c1)SCc3ccncc3 62a_100015193705_100010247092 [0,0,0,0,0,0|3,0,0]=3 155 B19R3.2370 c1cnc2c(n[nH]c2c1)NCc3ccncc3 27a_100000210450_100009817118 [0,0,0,0,0,0|3,0,0]=3 156 B19R3.2370 c1cnc2c(n[nH]c2c1)NCc3ccncn3 27a_100000736019_100009817118 [0,0,0,0,0,0|4,0,0]=4 157 B19R3.2370 c1cnc2c(n[nH]c2c1)SCc3ccncc3 62a_100015193705_100009817118 [0,0,0,0,0,0|3,0,0]=3 158 B19R3.2370 c1cnc2ncc(n2c1)SCc3ccncc3 62a_100011934454_100015193705 [0,0,0,0,0,0|3,0,1]=4 159 B19R3.2370 c1cnc2ncc(n2c1)SCc3ccncc3 62a_100015193705_100011934454 [0,0,0,0,0,0|3,0,1]=4 160 B19R3.2370 c1cnc2scc(c2c1)SCc3ccncc3 62a_100009830249_100015193705 [0,0,0,0,0,0|3,0,0]=3 161 B19R3.2370 c1cnc2scc(c2c1)SCc3ccncc3 62a_100015193705_100009830249 [0,0,0,0,0,0|3,0,0]=3 162 B19R3.2370 c1cncc(c1)COc2csc3c2cccc3 34a_100000077758_100000733263 [0,0,0,0,0,0|4,0,0]=4 163 B19R3.2370 c1cncc(c1)COc2csc3c2cccc3 7a_100000077758_100000741622 [0,0,0,0,0,0|4,0,0]=4 164 B19R3.2370 c1cncc(c1)CSc2c[nH]c3c2cccn3 62a_100000741622_100011934613 [0,0,0,0,0,0|4,0,0]=4 165 B19R3.2370 c1cncc(c1)CSc2c[nH]c3c2ccnc3 62a_100000741622_100010232032 [0,0,0,0,0,0|4,0,0]=4 166 B19R3.2370 c1cncc(c1)CSc2c[nH]c3c2cncc3 62a_100000741622_100000753697 [0,0,0,0,0,0|4,0,0]=4 167 B19R3.2370 c1cncc(c1)CSc2c[nH]c3c2nccc3 62a_100000741622_100009817151 [0,0,0,0,0,0|4,0,0]=4 168 B19R3.2370 c1cncc(c1)CSc2coc3c2cccc3 62a_100000741622_100009812202 [0,0,0,0,0,0|4,0,0]=4 169 B19R3.2370 c1cncc(c1)CSc2csc3c2cccc3 62a_100000741622_100009813928 [0,0,0,0,0,0|4,0,0]=4 170 B19R3.2370 c1cncc(c1)CSc2n[nH]c3c2cccc3 62a_100000741622_100000050141 [0,0,0,0,0,0|4,0,0]=4 171 B19R3.2370 c1cncc(c1)OCc2csc3c2cccc3 34a_100000210849_200000742921 [0,0,0,0,0,0|4,0,0]=4 172 B19R3.2370 c1cncc(c1)SCc2csc3c2cccc3 62a_100000210063_200000742921 [0,0,0,0,0,0|4,0,0]=4 173 B19R3.2370 c1cncc(c1)SCc2csc3c2cccc3 62a_200000742921_100000210063 [0,0,0,0,0,0|4,0,0]=4 174 B19R3.2370 c1cnn2c(cnc2c1)NCc3ccncc3 27a_100000210450_100009819068 [0,0,0,0,0,0|3,0,1]=4 175 B19R3.2370 c1cnn2c(cnc2c1)SCc3ccncc3 62a_100015193705_100009819068 [0,0,0,0,0,0|3,0,1]=4 176 B20R3.500 CN(Cc1ccncc1)c2n[nH]c3c2cccn3 27a_100000187231_100009818534 [0,1,0,0,0,0|3,0,0]=4 177 B20R3.500 CN(Cc1ccncc1)c2n[nH]c3c2cncc3 27a_100000187231_100009820117 [0,1,0,0,0,0|3,0,0]=4 178 B20R3.500 CN(Cc1ccncc1)c2n[nH]c3c2nccc3 27a_100000187231_100009817118 [0,1,0,0,0,0|3,0,0]=4 179 B20R3.500 O=C(Cc1ccccc1)C2=CCc3c2cccc3 1458a_100000037392_100015291786 [0,1,0,0,0,0|2,0,1]=4 180 B20R3.500 O=C(Cc1ccncc1)C2=CCc3c2cccc3 1458a_100000037392_100000705612 [0,1,0,0,0,0|1,0,1]=3 181 B20R3.500 O=C(Cc1ccncc1)C2C=Cc3c2cccc3 1458a_200009832160_100000705612 [0,1,0,0,0,0|1,0,2]=4 182 B20R3.644 Brc1ccc(cc1)COc2csc3c2cccc3 34a_100000077758_100000189115 [0,1,0,0,0,0|3,0,0]=4 183 B20R3.644 Brc1ccc(cc1)COc2csc3c2cccc3 7a_100000077758_100011217064 [0,1,0,0,0,0|3,0,0]=4 184 B20R3.644 Brc1ccc(cc1)CSc2c[nH]c3c2cccn3 62a_100000189115_100011934613 [0,1,0,0,0,0|3,0,0]=4 185 B20R3.644 Brc1ccc(cc1)CSc2c[nH]c3c2ccnc3 62a_100000189115_100010232032 [0,1,0,0,0,0|3,0,0]=4 186 B20R3.644 Brc1ccc(cc1)CSc2c[nH]c3c2cncc3 62a_100000189115_100000753697 [0,1,0,0,0,0|3,0,0]=4 187 B20R3.644 Brc1ccc(cc1)CSc2c[nH]c3c2nccc3 62a_100000189115_100009817151 [0,1,0,0,0,0|3,0,0]=4 188 B20R3.644 Brc1ccc(cc1)CSc2coc3c2cccc3 62a_100000189115_100009812202 [0,1,0,0,0,0|3,0,0]=4 189 B20R3.644 Brc1ccc(cc1)CSc2csc3c2cccc3 62a_100000189115_100009813928 [0,1,0,0,0,0|3,0,0]=4 190 B20R3.644 Brc1ccc(cc1)CSc2n[nH]c3c2cccc3 62a_100000189115_100000050141 [0,1,0,0,0,0|3,0,0]=4 191 B20R3.644 Brc1ccc(cc1)NCc2c[nH]c3c2cccn3 270302a_100000210018_100000187067 [0,1,0,0,0,0|3,0,0]=4 192 B20R3.644 Brc1ccc(cc1)NCc2c[nH]c3c2nccc3 270302a_100000210018_100000133833 [0,1,0,0,0,0|3,0,0]=4 193 B20R3.644 Brc1ccc(cc1)NCc2coc3c2cccc3 207a_100000210018_100000688544 [0,1,0,0,0,0|3,0,0]=4 194 B20R3.644 Brc1ccc(cc1)NCc2coc3c2cccc3 270302a_100000210018_100000688544 [0,1,0,0,0,0|3,0,0]=4 195 B20R3.644 Brc1ccc(cc1)NCc2csc3c2cccc3 207a_100000210018_100000239721 [0,1,0,0,0,0|3,0,0]=4 196 B20R3.644 Brc1ccc(cc1)NCc2csc3c2cccc3 2230a_100000210018_200000742921 [0,1,0,0,0,0|3,0,0]=4 197 B20R3.644 Brc1ccc(cc1)NCc2csc3c2cccc3 270302a_100000210018_100000239721 [0,1,0,0,0,0|3,0,0]=4 198 B20R3.644 Brc1ccc(cc1)NCc2csc3c2cccc3 34a_100000210018_200000742921 [0,1,0,0,0,0|3,0,0]=4 199 B20R3.644 Brc1ccc(cc1)NCc2n[nH]c3c2cccc3 207a_100000210018_100000059708 [0,1,0,0,0,0|3,0,0]=4 200 B20R3.644 Brc1ccc(cc1)NCc2n[nH]c3c2cccc3 270302a_100000210018_100000059708 [0,1,0,0,0,0|3,0,0]=4 201 B20R3.644 Brc1ccc(cc1)OCc2csc3c2cccc3 34a_100000185759_200000742921 [0,1,0,0,0,0|3,0,0]=4 202 B20R3.644 Brc1ccc(cc1)SCc2csc3c2cccc3 62a_100000752885_200000742921 [0,1,0,0,0,0|3,0,0]=4 203 B20R3.644 Brc1ccc(cc1)SCc2csc3c2cccc3 62a_200000742921_100000752885 [0,1,0,0,0,0|3,0,0]=4 204 B20R3.644 Cc1ccc(cc1)COc2csc3c2cccc3 34a_100000077758_100000210814 [0,1,0,0,0,0|3,0,0]=4 205 B20R3.644 Cc1ccc(cc1)COc2csc3c2cccc3 7a_100000077758_100000210814 [0,1,0,0,0,0|3,0,0]=4 206 B20R3.644 Cc1ccc(cc1)CSc2c[nH]c3c2cccn3 62a_100000210814_100011934613 [0,1,0,0,0,0|3,0,0]=4 207 B20R3.644 Cc1ccc(cc1)CSc2c[nH]c3c2ccnc3 62a_100000210814_100010232032 [0,1,0,0,0,0|3,0,0]=4 208 B20R3.644 Cc1ccc(cc1)CSc2c[nH]c3c2cncc3 62a_100000210814_100000753697 [0,1,0,0,0,0|3,0,0]=4 209 B20R3.644 Cc1ccc(cc1)CSc2c[nH]c3c2nccc3 62a_100000210814_100009817151 [0,1,0,0,0,0|3,0,0]=4 210 B20R3.644 Cc1ccc(cc1)CSc2coc3c2cccc3 62a_100000210814_100009812202 [0,1,0,0,0,0|3,0,0]=4 211 B20R3.644 Cc1ccc(cc1)CSc2csc3c2cccc3 62a_100000210814_100009813928 [0,1,0,0,0,0|3,0,0]=4 212 B20R3.644 Cc1ccc(cc1)CSc2n[nH]c3c2cccc3 62a_100000210814_100000050141 [0,1,0,0,0,0|3,0,0]=4 213 B20R3.644 Cc1ccc(cc1)NCc2c[nH]c3c2cccn3 270302a_100000124888_100000187067 [0,1,0,0,0,0|3,0,0]=4 214 B20R3.644 Cc1ccc(cc1)NCc2c[nH]c3c2nccc3 270302a_100000124888_100000133833 [0,1,0,0,0,0|3,0,0]=4 215 B20R3.644 Cc1ccc(cc1)NCc2coc3c2cccc3 207a_100000124888_100000688544 [0,1,0,0,0,0|3,0,0]=4 216 B20R3.644 Cc1ccc(cc1)NCc2coc3c2cccc3 270302a_100000124888_100000688544 [0,1,0,0,0,0|3,0,0]=4 217 B20R3.644 Cc1ccc(cc1)NCc2csc3c2cccc3 207a_100000124888_100000239721 [0,1,0,0,0,0|3,0,0]=4 218 B20R3.644 Cc1ccc(cc1)NCc2csc3c2cccc3 270302a_100000124888_100000239721 [0,1,0,0,0,0|3,0,0]=4 219 B20R3.644 Cc1ccc(cc1)NCc2csc3c2cccc3 34a_100000124888_200000742921 [0,1,0,0,0,0|3,0,0]=4 220 B20R3.644 Cc1ccc(cc1)NCc2n[nH]c3c2cccc3 207a_100000124888_100000059708 [0,1,0,0,0,0|3,0,0]=4 221 B20R3.644 Cc1ccc(cc1)NCc2n[nH]c3c2cccc3 270302a_100000124888_100000059708 [0,1,0,0,0,0|3,0,0]=4 222 B20R3.644 Cc1ccc(cc1)OCc2csc3c2cccc3 34a_100000210336_200000742921 [0,1,0,0,0,0|3,0,0]=4 223 B20R3.644 Cc1ccc(cc1)SCc2csc3c2cccc3 62a_100000186775_200000742921 [0,1,0,0,0,0|3,0,0]=4 224 B20R3.644 Cc1ccc(cc1)SCc2csc3c2cccc3 62a_200000742921_100000186775 [0,1,0,0,0,0|3,0,0]=4 225 B20R3.644 Clc1ccc(cc1)COc2csc3c2cccc3 34a_100000077758_100000694040 [0,1,0,0,0,0|3,0,0]=4 226 B20R3.644 Clc1ccc(cc1)COc2csc3c2cccc3 7a_100000077758_100000187161 [0,1,0,0,0,0|3,0,0]=4 227 B20R3.644 Clc1ccc(cc1)CSc2c[nH]c3c2cccn3 62a_100000187161_100011934613 [0,1,0,0,0,0|3,0,0]=4 228 B20R3.644 Clc1ccc(cc1)CSc2c[nH]c3c2ccnc3 62a_100000187161_100010232032 [0,1,0,0,0,0|3,0,0]=4 229 B20R3.644 Clc1ccc(cc1)CSc2c[nH]c3c2cncc3 62a_100000187161_100000753697 [0,1,0,0,0,0|3,0,0]=4 230 B20R3.644 Clc1ccc(cc1)CSc2c[nH]c3c2nccc3 62a_100000187161_100009817151 [0,1,0,0,0,0|3,0,0]=4 231 B20R3.644 Clc1ccc(cc1)CSc2coc3c2cccc3 62a_100000187161_100009812202 [0,1,0,0,0,0|3,0,0]=4 232 B20R3.644 Clc1ccc(cc1)CSc2csc3c2cccc3 62a_100000187161_100009813928 [0,1,0,0,0,0|3,0,0]=4 233 B20R3.644 Clc1ccc(cc1)CSc2n[nH]c3c2cccc3 62a_100000187161_100000050141 [0,1,0,0,0,0|3,0,0]=4 234 B20R3.644 Clc1ccc(cc1)NCc2c[nH]c3c2cccn3 270302a_100000210052_100000187067 [0,1,0,0,0,0|3,0,0]=4 235 B20R3.644 Clc1ccc(cc1)NCc2c[nH]c3c2nccc3 270302a_100000210052_100000133833 [0,1,0,0,0,0|3,0,0]=4 236 B20R3.644 Clc1ccc(cc1)NCc2coc3c2cccc3 207a_100000210052_100000688544 [0,1,0,0,0,0|3,0,0]=4 237 B20R3.644 Clc1ccc(cc1)NCc2coc3c2cccc3 270302a_100000210052_100000688544 [0,1,0,0,0,0|3,0,0]=4 238 B20R3.644 Clc1ccc(cc1)NCc2csc3c2cccc3 207a_100000210052_100000239721 [0,1,0,0,0,0|3,0,0]=4 239 B20R3.644 Clc1ccc(cc1)NCc2csc3c2cccc3 2230a_100000210052_200000742921 [0,1,0,0,0,0|3,0,0]=4 240 B20R3.644 Clc1ccc(cc1)NCc2csc3c2cccc3 270302a_100000210052_100000239721 [0,1,0,0,0,0|3,0,0]=4 241 B20R3.644 Clc1ccc(cc1)NCc2csc3c2cccc3 34a_100000210052_200000742921 [0,1,0,0,0,0|3,0,0]=4 242 B20R3.644 Clc1ccc(cc1)NCc2n[nH]c3c2cccc3 207a_100000210052_100000059708 [0,1,0,0,0,0|3,0,0]=4 243 B20R3.644 Clc1ccc(cc1)NCc2n[nH]c3c2cccc3 270302a_100000210052_100000059708 [0,1,0,0,0,0|3,0,0]=4 244 B20R3.644 Clc1ccc(cc1)OCc2csc3c2cccc3 34a_100000210216_200000742921 [0,1,0,0,0,0|3,0,0]=4 245 B20R3.644 Clc1ccc(cc1)SCc2csc3c2cccc3 62a_100000755918_200000742921 [0,1,0,0,0,0|3,0,0]=4 246 B20R3.644 Clc1ccc(cc1)SCc2csc3c2cccc3 62a_200000742921_100000755918 [0,1,0,0,0,0|3,0,0]=4 247 B20R3.644 Fc1ccc(cc1)COc2csc3c2cccc3 34a_100000077758_100000198546 [0,1,0,0,0,0|3,0,0]=4 248 B20R3.644 Fc1ccc(cc1)COc2csc3c2cccc3 7a_100000077758_100000198546 [0,1,0,0,0,0|3,0,0]=4 249 B20R3.644 Fc1ccc(cc1)CSc2c[nH]c3c2cccn3 62a_100000198546_100011934613 [0,1,0,0,0,0|3,0,0]=4 250 B20R3.644 Fc1ccc(cc1)CSc2c[nH]c3c2ccnc3 62a_100000198546_100010232032 [0,1,0,0,0,0|3,0,0]=4 251 B20R3.644 Fc1ccc(cc1)CSc2c[nH]c3c2cncc3 62a_100000198546_100000753697 [0,1,0,0,0,0|3,0,0]=4 252 B20R3.644 Fc1ccc(cc1)CSc2c[nH]c3c2nccc3 62a_100000198546_100009817151 [0,1,0,0,0,0|3,0,0]=4 253 B20R3.644 Fc1ccc(cc1)CSc2coc3c2cccc3 62a_100000198546_100009812202 [0,1,0,0,0,0|3,0,0]=4 254 B20R3.644 Fc1ccc(cc1)CSc2csc3c2cccc3 62a_100000198546_100009813928 [0,1,0,0,0,0|3,0,0]=4 255 B20R3.644 Fc1ccc(cc1)CSc2n[nH]c3c2cccc3 62a_100000198546_100000050141 [0,1,0,0,0,0|3,0,0]=4 256 B20R3.644 Fc1ccc(cc1)NCc2c[nH]c3c2cccn3 270302a_100000185862_100000187067 [0,1,0,0,0,0|3,0,0]=4 257 B20R3.644 Fc1ccc(cc1)NCc2c[nH]c3c2nccc3 270302a_100000185862_100000133833 [0,1,0,0,0,0|3,0,0]=4 258 B20R3.644 Fc1ccc(cc1)NCc2coc3c2cccc3 207a_100000185862_100000688544 [0,1,0,0,0,0|3,0,0]=4 259 B20R3.644 Fc1ccc(cc1)NCc2coc3c2cccc3 270302a_100000185862_100000688544 [0,1,0,0,0,0|3,0,0]=4 260 B20R3.644 Fc1ccc(cc1)NCc2csc3c2cccc3 207a_100000185862_100000239721 [0,1,0,0,0,0|3,0,0]=4 261 B20R3.644 Fc1ccc(cc1)NCc2csc3c2cccc3 270302a_100000185862_100000239721 [0,1,0,0,0,0|3,0,0]=4 262 B20R3.644 Fc1ccc(cc1)NCc2csc3c2cccc3 34a_100000185862_200000742921 [0,1,0,0,0,0|3,0,0]=4 263 B20R3.644 Fc1ccc(cc1)NCc2n[nH]c3c2cccc3 207a_100000185862_100000059708 [0,1,0,0,0,0|3,0,0]=4 264 B20R3.644 Fc1ccc(cc1)NCc2n[nH]c3c2cccc3 270302a_100000185862_100000059708 [0,1,0,0,0,0|3,0,0]=4 265 B20R3.644 Fc1ccc(cc1)OCc2csc3c2cccc3 34a_100000210339_200000742921 [0,1,0,0,0,0|3,0,0]=4 266 B20R3.644 Fc1ccc(cc1)SCc2csc3c2cccc3 62a_100000211213_200000742921 [0,1,0,0,0,0|3,0,0]=4 267 B20R3.644 Fc1ccc(cc1)SCc2csc3c2cccc3 62a_200000742921_100000211213 [0,1,0,0,0,0|3,0,0]=4 268 B20R3.644 Ic1ccc(cc1)COc2csc3c2cccc3 34a_100000077758_100000189116 [0,1,0,0,0,0|3,0,0]=4 269 B20R3.644 Ic1ccc(cc1)COc2csc3c2cccc3 7a_100000077758_100000189116 [0,1,0,0,0,0|3,0,0]=4 270 B20R3.644 Ic1ccc(cc1)CSc2c[nH]c3c2cccn3 62a_100000189116_100011934613 [0,1,0,0,0,0|3,0,0]=4 271 B20R3.644 Ic1ccc(cc1)CSc2c[nH]c3c2ccnc3 62a_100000189116_100010232032 [0,1,0,0,0,0|3,0,0]=4 272 B20R3.644 Ic1ccc(cc1)CSc2c[nH]c3c2cncc3 62a_100000189116_100000753697 [0,1,0,0,0,0|3,0,0]=4 273 B20R3.644 Ic1ccc(cc1)CSc2c[nH]c3c2nccc3 62a_100000189116_100009817151 [0,1,0,0,0,0|3,0,0]=4 274 B20R3.644 Ic1ccc(cc1)CSc2coc3c2cccc3 62a_100000189116_100009812202 [0,1,0,0,0,0|3,0,0]=4 275 B20R3.644 Ic1ccc(cc1)CSc2csc3c2cccc3 62a_100000189116_100009813928 [0,1,0,0,0,0|3,0,0]=4 276 B20R3.644 Ic1ccc(cc1)CSc2n[nH]c3c2cccc3 62a_100000189116_100000050141 [0,1,0,0,0,0|3,0,0]=4 277 B20R3.644 Ic1ccc(cc1)NCc2c[nH]c3c2cccn3 270302a_100000185761_100000187067 [0,1,0,0,0,0|3,0,0]=4 278 B20R3.644 Ic1ccc(cc1)NCc2c[nH]c3c2nccc3 270302a_100000185761_100000133833 [0,1,0,0,0,0|3,0,0]=4 279 B20R3.644 Ic1ccc(cc1)NCc2coc3c2cccc3 207a_100000185761_100000688544 [0,1,0,0,0,0|3,0,0]=4 280 B20R3.644 Ic1ccc(cc1)NCc2coc3c2cccc3 270302a_100000185761_100000688544 [0,1,0,0,0,0|3,0,0]=4 281 B20R3.644 Ic1ccc(cc1)NCc2csc3c2cccc3 207a_100000185761_100000239721 [0,1,0,0,0,0|3,0,0]=4 282 B20R3.644 Ic1ccc(cc1)NCc2csc3c2cccc3 270302a_100000185761_100000239721 [0,1,0,0,0,0|3,0,0]=4 283 B20R3.644 Ic1ccc(cc1)NCc2csc3c2cccc3 34a_100000185761_200000742921 [0,1,0,0,0,0|3,0,0]=4 284 B20R3.644 Ic1ccc(cc1)NCc2n[nH]c3c2cccc3 207a_100000185761_100000059708 [0,1,0,0,0,0|3,0,0]=4 285 B20R3.644 Ic1ccc(cc1)NCc2n[nH]c3c2cccc3 270302a_100000185761_100000059708 [0,1,0,0,0,0|3,0,0]=4 286 B20R3.644 Ic1ccc(cc1)OCc2csc3c2cccc3 34a_100000212066_200000742921 [0,1,0,0,0,0|3,0,0]=4 287 B20R3.644 Nc1ccc(cc1)OCc2csc3c2cccc3 34a_100000185829_200000742921 [0,1,0,0,0,0|3,0,0]=4 288 B20R3.644 Nc1ccc(cc1)SCc2csc3c2cccc3 62a_100000185761_200000742921 [0,1,0,0,0,0|3,0,0]=4 289 B20R3.644 Nc1ccc(cc1)SCc2csc3c2cccc3 62a_200000742921_100000185761 [0,1,0,0,0,0|3,0,0]=4 290 B20R3.644 Oc1ccc(cc1)NCc2c[nH]c3c2cccn3 270302a_100000185829_100000187067 [0,1,0,0,0,0|3,0,0]=4 291 B20R3.644 Oc1ccc(cc1)NCc2c[nH]c3c2nccc3 270302a_100000185829_100000133833 [0,1,0,0,0,0|3,0,0]=4 292 B20R3.644 Oc1ccc(cc1)NCc2coc3c2cccc3 270302a_100000185829_100000688544 [0,1,0,0,0,0|3,0,0]=4 293 B20R3.644 Oc1ccc(cc1)NCc2csc3c2cccc3 270302a_100000185829_100000239721 [0,1,0,0,0,0|3,0,0]=4 294 B20R3.644 Oc1ccc(cc1)NCc2csc3c2cccc3 34a_100000185829_200000742921 [0,1,0,0,0,0|3,0,0]=4 295 B20R3.644 Oc1ccc(cc1)NCc2n[nH]c3c2cccc3 270302a_100000185829_100000059708 [0,1,0,0,0,0|3,0,0]=4 296 B20R3.644 Oc1ccc(cc1)SCc2csc3c2cccc3 62a_200000742921_100000185759 [0,1,0,0,0,0|3,0,0]=4 297 B20R3.644 [O-][n+]1ccc(cc1)SCc2csc3c2cccc3 62a_200000742921_100000039755 [0,1,0,0,0,0|2,0,1]=4 298 B20R3.2931 CC(Cc1c[nH]c2c1cccn2)c3ccccc3 271570a_100000062452_100011934613 [0,1,0,0,0,0|2,0,0]=3 299 B20R3.2931 CC(Cc1c[nH]c2c1ccnc2)c3ccccc3 271570a_100000062452_100010232032 [0,1,0,0,0,0|2,0,0]=3 300 B20R3.2931 CC(Cc1c[nH]c2c1cncc2)c3ccccc3 271570a_100000062452_100011934843 [0,1,0,0,0,0|2,0,0]=3 301 B20R3.2931 CC(Cc1c[nH]c2c1cncn2)c3ccccc3 271570a_100000062452_100009817560 [0,1,0,0,0,0|3,0,0]=4 302 B20R3.2931 CC(Cc1c[nH]c2c1nccc2)c3ccccc3 271570a_100000062452_100009817151 [0,1,0,0,0,0|2,0,0]=3 303 B20R3.2931 CC(Cc1cnc2n1cccc2)c3ccccc3 271570a_100000062452_100011219245 [0,1,0,0,0,0|2,0,1]=4 304 B20R3.2931 CC(Cc1cnn2c1cccc2)c3ccccc3 271570a_100000062452_100009817726 [0,1,0,0,0,0|2,0,1]=4 305 B20R3.2931 CC(Cc1coc2c1cccc2)c3ccccc3 271570a_100000062452_100009812202 [0,1,0,0,0,0|2,0,0]=3 306 B20R3.2931 CC(Cc1coc2c1nccc2)c3ccccc3 271570a_100000062452_100009889148 [0,1,0,0,0,0|3,0,0]=4 307 B20R3.2931 CC(Cc1csc2c1cccc2)c3ccccc3 271570a_100000062452_100009813928 [0,1,0,0,0,0|2,0,0]=3 308 B20R3.2931 CC(Cc1csc2c1cccn2)c3ccccc3 271570a_100000062452_100009830249 [0,1,0,0,0,0|3,0,0]=4 309 B20R3.2931 CC(Cc1csc2c1ccnc2)c3ccccc3 271570a_100000062452_100009817111 [0,1,0,0,0,0|3,0,0]=4 310 B20R3.2931 CC(Cc1csc2c1cncc2)c3ccccc3 271570a_100000062452_100010247091 [0,1,0,0,0,0|3,0,0]=4 311 B20R3.2931 CC(Cc1csc2c1nccc2)c3ccccc3 271570a_100000062452_100010247092 [0,1,0,0,0,0|3,0,0]=4 312 B20R3.2931 CC(Cc1n[nH]c2c1cccc2)c3ccccc3 271570a_100000062452_100000050141 [0,1,0,0,0,0|2,0,0]=3 313 B20R3.2931 CC(Cc1n[nH]c2c1cccn2)c3ccccc3 271570a_100000062452_100009888962 [0,1,0,0,0,0|3,0,0]=4 314 B20R3.2931 CC(Cc1n[nH]c2c1ccnc2)c3ccccc3 271570a_100000062452_100010244369 [0,1,0,0,0,0|3,0,0]=4 315 B20R3.2931 CC(Cc1n[nH]c2c1cncc2)c3ccccc3 271570a_100000062452_100010724670 [0,1,0,0,0,0|3,0,0]=4 316 B20R3.2931 CC(Cc1n[nH]c2c1nccc2)c3ccccc3 271570a_100000062452_100009817118 [0,1,0,0,0,0|3,0,0]=4 317 B20R3.2931 CC(Nc1n[nH]c2c1cccn2)c3ccncc3 27a_100000181269_100009818534 [0,1,0,0,0,0|3,0,0]=4 318 B20R3.2931 CC(Nc1n[nH]c2c1cncc2)c3ccncc3 27a_100000181269_100009820117 [0,1,0,0,0,0|3,0,0]=4 319 B20R3.2931 CC(Nc1n[nH]c2c1nccc2)c3ccncc3 27a_100000181269_100009817118 [0,1,0,0,0,0|3,0,0]=4 320 B20R3.2931 CC(Oc1csc2c1cccc2)c3ccccc3 34a_100000077758_100000211855 [0,1,0,0,0,0|3,0,0]=4 321 B20R3.2931 CC(Oc1csc2c1cccc2)c3ccccc3 7a_100000077758_100000230085 [0,1,0,0,0,0|3,0,0]=4 322 B20R3.2931 CC(Sc1c[nH]c2c1cccn2)c3ccccc3 62a_100000230085_100011934613 [0,1,0,0,0,0|3,0,0]=4 323 B20R3.2931 CC(Sc1c[nH]c2c1ccnc2)c3ccccc3 62a_100000230085_100010232032 [0,1,0,0,0,0|3,0,0]=4 324 B20R3.2931 CC(Sc1c[nH]c2c1cncc2)c3ccccc3 62a_100000230085_100000753697 [0,1,0,0,0,0|3,0,0]=4 325 B20R3.2931 CC(Sc1c[nH]c2c1nccc2)c3ccccc3 62a_100000230085_100009817151 [0,1,0,0,0,0|3,0,0]=4 326 B20R3.2931 CC(Sc1coc2c1cccc2)c3ccccc3 62a_100000230085_100009812202 [0,1,0,0,0,0|3,0,0]=4 327 B20R3.2931 CC(Sc1csc2c1cccc2)c3ccccc3 62a_100000230085_100009813928 [0,1,0,0,0,0|3,0,0]=4 328 B20R3.2931 CC(Sc1n[nH]c2c1cccc2)c3ccccc3 62a_100000230085_100000050141 [0,1,0,0,0,0|3,0,0]=4 329 B20R3.2931 CN(Cc1csc2c1cccc2)c3ccccc3 2230a_100000210012_200000742921 [0,1,0,0,0,0|3,0,0]=4 330 B20R3.2931 CN(Cc1csc2c1cccc2)c3ccccc3 269982a_100000210012_200000742921 [0,1,0,0,0,0|3,0,0]=4 331 B20R3.2931 CN(Cc1csc2c1cccc2)c3ccccc3 34a_100000210012_200000742921 [0,1,0,0,0,0|3,0,0]=4 332 B20R3.2931 O=C(Cc1csc2c1cccc2)c3ccccc3 1458a_100000185807_200000742921 [0,1,0,0,0,0|2,0,1]=4 333 B20R3.5850 Brc1cc2[nH]cc(c2cn1)SCc3ccccc3 62a_100000211182_100010206817 [0,1,0,0,0,0|3,0,0]=4 334 B20R3.5850 Brc1cc2[nH]cc(c2cn1)SCc3ccccc3 62a_100010206817_100015291786 [0,1,0,0,0,0|3,0,0]=4 335 B20R3.5850 Brc1cc2[nH]cc(c2cn1)SCc3ccncc3 62a_100010206817_100015193705 [0,1,0,0,0,0|2,0,0]=3 336 B20R3.5850 Brc1cc2[nH]cc(c2cn1)SCc3ccncc3 62a_100015193705_100010206817 [0,1,0,0,0,0|2,0,0]=3 337 B20R3.5850 Brc1ccc2c(c1)C=CC2=NNc3ccncc3 4a_100000698918_100010210589 [0,1,0,0,0,0|3,0,0]=4 338 B20R3.5850 Brc1ccc2c(n[nH]c2c1)CNc3ccccc3 207a_100000106764_100009817233 [0,1,0,0,0,0|3,0,0]=4 339 B20R3.5850 Brc1ccc2c(n[nH]c2c1)SCc3ccccc3 62a_100000211182_100010186045 [0,1,0,0,0,0|3,0,0]=4 340 B20R3.5850 Brc1ccc2c(n[nH]c2c1)SCc3ccccc3 62a_100010186045_100015291786 [0,1,0,0,0,0|3,0,0]=4 341 B20R3.5850 Brc1ccc2c(n[nH]c2c1)SCc3ccncc3 62a_100010186045_100015193705 [0,1,0,0,0,0|2,0,0]=3 342 B20R3.5850 Brc1ccc2c(n[nH]c2c1)SCc3ccncc3 62a_100015193705_100010186045 [0,1,0,0,0,0|2,0,0]=3 343 B20R3.5850 Brc1ccn2c(cnc2c1)SCc3ccncc3 62a_100010730183_100015193705 [0,1,0,0,0,0|2,0,1]=4 344 B20R3.5850 Brc1ccn2c(cnc2c1)SCc3ccncc3 62a_100015193705_100010730183 [0,1,0,0,0,0|2,0,1]=4 345 B20R3.5850 Brc1cnc2c(c[nH]c2c1)SCc3ccccc3 62a_100000211182_100010208019 [0,1,0,0,0,0|3,0,0]=4 346 B20R3.5850 Brc1cnc2c(c[nH]c2c1)SCc3ccccc3 62a_100010208019_100015291786 [0,1,0,0,0,0|3,0,0]=4 347 B20R3.5850 Brc1cnc2c(c[nH]c2c1)SCc3ccncc3 62a_100010208019_100015193705 [0,1,0,0,0,0|2,0,0]=3 348 B20R3.5850 Brc1cnc2c(c[nH]c2c1)SCc3ccncc3 62a_100015193705_100010208019 [0,1,0,0,0,0|2,0,0]=3 349 B20R3.5850 Brc1cnc2c(n[nH]c2c1)NCc3ccncc3 27a_100000210450_100010289622 [0,1,0,0,0,0|3,0,0]=4 350 B20R3.5850 Brc1cnc2c(n[nH]c2c1)SCc3ccncc3 62a_100015193705_100010289622 [0,1,0,0,0,0|3,0,0]=4 351 B20R3.5850 Cc1ccc2c(n[nH]c2c1)SCc3ccccc3 62a_100000211182_100000049534 [0,1,0,0,0,0|3,0,0]=4 352 B20R3.5850 Cc1ccc2c(n[nH]c2c1)SCc3ccncc3 62a_100015193705_100000049534 [0,1,0,0,0,0|2,0,0]=3 353 B20R3.5850 Cc1ccn2c(cnc2c1)SCc3ccncc3 62a_100015193705_100011934683 [0,1,0,0,0,0|2,0,1]=4 354 B20R3.5850 Clc1cc2[nH]cc(c2cn1)SCc3ccccc3 62a_100000211182_100010206812 [0,1,0,0,0,0|3,0,0]=4 355 B20R3.5850 Clc1cc2[nH]cc(c2cn1)SCc3ccncc3 62a_100015193705_100010206812 [0,1,0,0,0,0|2,0,0]=3 356 B20R3.5850 Clc1cc2[nH]nc(c2cn1)SCc3ccncc3 62a_100015193705_100010134411 [0,1,0,0,0,0|3,0,0]=4 357 B20R3.5850 Clc1ccc2c(c[nH]c2n1)SCc3ccccc3 62a_100000211182_100010168512 [0,1,0,0,0,0|3,0,0]=4 358 B20R3.5850 Clc1ccc2c(c[nH]c2n1)SCc3ccncc3 62a_100015193705_100010168512 [0,1,0,0,0,0|2,0,0]=3 359 B20R3.5850 Clc1ccc2c(n[nH]c2c1)CNc3ccccc3 207a_100000106764_100000086628 [0,1,0,0,0,0|3,0,0]=4 360 B20R3.5850 Clc1ccc2c(n[nH]c2c1)SCc3ccccc3 62a_100000211182_100000049627 [0,1,0,0,0,0|3,0,0]=4 361 B20R3.5850 Clc1ccc2c(n[nH]c2c1)SCc3ccncc3 62a_100015193705_100000049627 [0,1,0,0,0,0|2,0,0]=3 362 B20R3.5850 Clc1ccc2c(n[nH]c2n1)SCc3ccncc3 62a_100015193705_100010117091 [0,1,0,0,0,0|3,0,0]=4 363 B20R3.5850 Clc1ncc2c(c[nH]c2n1)SCc3ccncc3 62a_100015193705_100010173707 [0,1,0,0,0,0|3,0,0]=4 364 B20R3.5850 Fc1ccc2c(c[nH]c2n1)SCc3ccccc3 62a_100000211182_100010168364 [0,1,0,0,0,0|3,0,0]=4 365 B20R3.5850 Fc1ccc2c(c[nH]c2n1)SCc3ccncc3 62a_100015193705_100010168364 [0,1,0,0,0,0|2,0,0]=3 366 B20R3.5850 Fc1ccc2c(n[nH]c2c1)CNc3ccccc3 207a_100000106764_100000086633 [0,1,0,0,0,0|3,0,0]=4 367 B20R3.5850 Fc1ccc2c(n[nH]c2c1)CNc3ccccc3 270302a_100000106764_100000086633 [0,1,0,0,0,0|3,0,0]=4 368 B20R3.5850 Fc1ccc2c(n[nH]c2c1)SCc3ccccc3 62a_100000211182_100000049990 [0,1,0,0,0,0|3,0,0]=4 369 B20R3.5850 Fc1ccc2c(n[nH]c2c1)SCc3ccncc3 62a_100015193705_100000049990 [0,1,0,0,0,0|2,0,0]=3 370 B20R3.5850 Fc1ccn2c(cnc2c1)SCc3ccncc3 62a_100015193705_100020640160 [0,1,0,0,0,0|2,0,1]=4 371 B20R3.5850 Fc1ccn2c(cnc2c1)SCc3ccncc3 62a_100020640160_100015193705 [0,1,0,0,0,0|2,0,1]=4 372 B20R3.5850 Nc1ccc2c(n[nH]c2c1)SCc3ccccc3 62a_100000211182_100009816878 [0,1,0,0,0,0|3,0,0]=4 373 B20R3.5850 Nc1ccc2c(n[nH]c2c1)SCc3ccncc3 62a_100015193705_100009816878 [0,1,0,0,0,0|2,0,0]=3 374 B20R3.8097 Brc1ccccc1COc2csc3c2cccc3 34a_100000077758_100000184730 [0,1,0,0,0,0|3,0,0]=4 375 B20R3.8097 Brc1ccccc1COc2csc3c2cccc3 7a_100000077758_100000184730 [0,1,0,0,0,0|3,0,0]=4 376 B20R3.8097 Brc1ccccc1CSc2c[nH]c3c2cccn3 62a_100000184730_100011934613 [0,1,0,0,0,0|3,0,0]=4 377 B20R3.8097 Brc1ccccc1CSc2c[nH]c3c2ccnc3 62a_100000184730_100010232032 [0,1,0,0,0,0|3,0,0]=4 378 B20R3.8097 Brc1ccccc1CSc2c[nH]c3c2cncc3 62a_100000184730_100000753697 [0,1,0,0,0,0|3,0,0]=4 379 B20R3.8097 Brc1ccccc1CSc2c[nH]c3c2nccc3 62a_100000184730_100009817151 [0,1,0,0,0,0|3,0,0]=4 380 B20R3.8097 Brc1ccccc1CSc2coc3c2cccc3 62a_100000184730_100009812202 [0,1,0,0,0,0|3,0,0]=4 381 B20R3.8097 Brc1ccccc1CSc2csc3c2cccc3 62a_100000184730_100009813928 [0,1,0,0,0,0|3,0,0]=4 382 B20R3.8097 Brc1ccccc1CSc2n[nH]c3c2cccc3 62a_100000184730_100000050141 [0,1,0,0,0,0|3,0,0]=4 383 B20R3.8097 Brc1ccccc1NCc2coc3c2cccc3 207a_100000210017_100000688544 [0,1,0,0,0,0|3,0,0]=4 384 B20R3.8097 Brc1ccccc1NCc2csc3c2cccc3 207a_100000210017_100000239721 [0,1,0,0,0,0|3,0,0]=4 385 B20R3.8097 Brc1ccccc1NCc2csc3c2cccc3 34a_100000210017_200000742921 [0,1,0,0,0,0|3,0,0]=4 386 B20R3.8097 Brc1ccccc1NCc2n[nH]c3c2cccc3 207a_100000210017_100000059708 [0,1,0,0,0,0|3,0,0]=4 387 B20R3.8097 Brc1ccccc1OCc2csc3c2cccc3 34a_100000181306_200000742921 [0,1,0,0,0,0|3,0,0]=4 388 B20R3.8097 Brc1ccccc1SCc2csc3c2cccc3 62a_100000695589_200000742921 [0,1,0,0,0,0|3,0,0]=4 389 B20R3.8097 Brc1ccccc1SCc2csc3c2cccc3 62a_200000742921_100000695589 [0,1,0,0,0,0|3,0,0]=4 390 B20R3.8097 Brc1cnccc1CNc2n[nH]c3c2cccn3 27a_100020640021_100009818534 [0,1,0,0,0,0|3,0,0]=4 391 B20R3.8097 Brc1cnccc1CNc2n[nH]c3c2cncc3 27a_100020640021_100009820117 [0,1,0,0,0,0|3,0,0]=4 392 B20R3.8097 Brc1cnccc1CNc2n[nH]c3c2nccc3 27a_100020640021_100009817118 [0,1,0,0,0,0|3,0,0]=4 393 B20R3.8097 Brc1cnccc1NCc2cnc3n2cccc3 27a_100015187830_100000726257 [0,1,0,0,0,0|2,0,1]=4 394 B20R3.8097 Brc1cnccc1NCc2csc3c2cccc3 27a_100000744611_100000726257 [0,1,0,0,0,0|2,0,0]=3 395 B20R3.8097 Brc1cnccc1OCc2csc3c2cccc3 34a_100011996408_200000742921 [0,1,0,0,0,0|2,0,0]=3 396 B20R3.8097 Brc1cnccc1OCc2noc3c2cccc3 34a_100011996408_100009813815 [0,1,0,0,0,0|3,0,0]=4 397 B20R3.8097 Brc1cnccc1SCc2csc3c2cccc3 62a_100000726257_200000742921 [0,1,0,0,0,0|2,0,0]=3 398 B20R3.8097 Brc1cnccc1SCc2csc3c2cccc3 62a_200000742921_100000726257 [0,1,0,0,0,0|2,0,0]=3 399 B20R3.8097 Brc1cnccc1SCc2noc3c2cccc3 62a_100000726257_100009813815 [0,1,0,0,0,0|3,0,0]=4 400 B20R3.8097 Brc1cnccc1SCc2noc3c2cccc3 62a_100009813815_100000726257 [0,1,0,0,0,0|3,0,0]=4 401 B20R3.8097 Cc1ccccc1COc2csc3c2cccc3 34a_100000077758_100000211839 [0,1,0,0,0,0|3,0,0]=4 402 B20R3.8097 Cc1ccccc1COc2csc3c2cccc3 7a_100000077758_100000211839 [0,1,0,0,0,0|3,0,0]=4 403 B20R3.8097 Cc1ccccc1CSc2c[nH]c3c2cccn3 62a_100000211839_100011934613 [0,1,0,0,0,0|3,0,0]=4 404 B20R3.8097 Cc1ccccc1CSc2c[nH]c3c2ccnc3 62a_100000211839_100010232032 [0,1,0,0,0,0|3,0,0]=4 405 B20R3.8097 Cc1ccccc1CSc2c[nH]c3c2cncc3 62a_100000211839_100000753697 [0,1,0,0,0,0|3,0,0]=4 406 B20R3.8097 Cc1ccccc1CSc2c[nH]c3c2nccc3 62a_100000211839_100009817151 [0,1,0,0,0,0|3,0,0]=4 407 B20R3.8097 Cc1ccccc1CSc2coc3c2cccc3 62a_100000211839_100009812202 [0,1,0,0,0,0|3,0,0]=4 408 B20R3.8097 Cc1ccccc1CSc2csc3c2cccc3 62a_100000211839_100009813928 [0,1,0,0,0,0|3,0,0]=4 409 B20R3.8097 Cc1ccccc1CSc2n[nH]c3c2cccc3 62a_100000211839_100000050141 [0,1,0,0,0,0|3,0,0]=4 410 B20R3.8097 Cc1ccccc1NCc2c[nH]c3c2cccn3 270302a_100015192222_100000187067 [0,1,0,0,0,0|3,0,0]=4 411 B20R3.8097 Cc1ccccc1NCc2c[nH]c3c2nccc3 270302a_100015192222_100000133833 [0,1,0,0,0,0|3,0,0]=4 412 B20R3.8097 Cc1ccccc1NCc2coc3c2cccc3 207a_100015192222_100000688544 [0,1,0,0,0,0|3,0,0]=4 413 B20R3.8097 Cc1ccccc1NCc2coc3c2cccc3 270302a_100015192222_100000688544 [0,1,0,0,0,0|3,0,0]=4 414 B20R3.8097 Cc1ccccc1NCc2csc3c2cccc3 207a_100015192222_100000239721 [0,1,0,0,0,0|3,0,0]=4 415 B20R3.8097 Cc1ccccc1NCc2csc3c2cccc3 270302a_100015192222_100000239721 [0,1,0,0,0,0|3,0,0]=4 416 B20R3.8097 Cc1ccccc1NCc2csc3c2cccc3 34a_100015192222_200000742921 [0,1,0,0,0,0|3,0,0]=4 417 B20R3.8097 Cc1ccccc1NCc2n[nH]c3c2cccc3 207a_100015192222_100000059708 [0,1,0,0,0,0|3,0,0]=4 418 B20R3.8097 Cc1ccccc1NCc2n[nH]c3c2cccc3 270302a_100015192222_100000059708 [0,1,0,0,0,0|3,0,0]=4 419 B20R3.8097 Cc1ccccc1OCc2csc3c2cccc3 34a_100000210338_200000742921 [0,1,0,0,0,0|3,0,0]=4 420 B20R3.8097 Cc1ccccc1SCc2csc3c2cccc3 62a_100000210755_200000742921 [0,1,0,0,0,0|3,0,0]=4 421 B20R3.8097 Cc1ccccc1SCc2csc3c2cccc3 62a_200000742921_100000210755 [0,1,0,0,0,0|3,0,0]=4 422 B20R3.8097 Cc1cnccc1CNc2n[nH]c3c2cccn3 27a_100000708811_100009818534 [0,1,0,0,0,0|3,0,0]=4 423 B20R3.8097 Cc1cnccc1CNc2n[nH]c3c2cncc3 27a_100000708811_100009820117 [0,1,0,0,0,0|3,0,0]=4 424 B20R3.8097 Cc1cnccc1CNc2n[nH]c3c2nccc3 27a_100000708811_100009817118 [0,1,0,0,0,0|3,0,0]=4 425 B20R3.8097 Cc1cnccc1COc2csc3c2cccc3 34a_100000077758_100020672809 [0,1,0,0,0,0|2,0,0]=3 426 B20R3.8097 Cc1cnccc1COc2csc3c2cccc3 7a_100000077758_100020672808 [0,1,0,0,0,0|2,0,0]=3 427 B20R3.8097 Cc1cnccc1CSc2c[nH]c3c2cccn3 62a_100020672808_100011934613 [0,1,0,0,0,0|2,0,0]=3 428 B20R3.8097 Cc1cnccc1CSc2c[nH]c3c2ccnc3 62a_100020672808_100010232032 [0,1,0,0,0,0|2,0,0]=3 429 B20R3.8097 Cc1cnccc1CSc2c[nH]c3c2cncc3 62a_100020672808_100000753697 [0,1,0,0,0,0|2,0,0]=3 430 B20R3.8097 Cc1cnccc1CSc2c[nH]c3c2cncn3 62a_100009817560_100020672808 [0,1,0,0,0,0|3,0,0]=4 431 B20R3.8097 Cc1cnccc1CSc2c[nH]c3c2cncn3 62a_100020672808_100000072862 [0,1,0,0,0,0|3,0,0]=4 432 B20R3.8097 Cc1cnccc1CSc2c[nH]c3c2nccc3 62a_100020672808_100009817151 [0,1,0,0,0,0|2,0,0]=3 433 B20R3.8097 Cc1cnccc1CSc2c[nH]c3c2nccn3 62a_100020672808_100009819587 [0,1,0,0,0,0|3,0,0]=4 434 B20R3.8097 Cc1cnccc1CSc2cnc3n2cccc3 62a_100020672808_100011219245 [0,1,0,0,0,0|2,0,1]=4 435 B20R3.8097 Cc1cnccc1CSc2cnn3c2cccc3 62a_100020672808_100009817726 [0,1,0,0,0,0|2,0,1]=4 436 B20R3.8097 Cc1cnccc1CSc2coc3c2cccc3 62a_100020672808_100009812202 [0,1,0,0,0,0|2,0,0]=3 437 B20R3.8097 Cc1cnccc1CSc2coc3c2nccc3 62a_100020672808_100009889148 [0,1,0,0,0,0|3,0,0]=4 438 B20R3.8097 Cc1cnccc1CSc2csc3c2cccc3 62a_100020672808_100009813928 [0,1,0,0,0,0|2,0,0]=3 439 B20R3.8097 Cc1cnccc1CSc2csc3c2cccn3 62a_100009830249_100020672808 [0,1,0,0,0,0|3,0,0]=4 440 B20R3.8097 Cc1cnccc1CSc2csc3c2cccn3 62a_100020672808_100009830249 [0,1,0,0,0,0|3,0,0]=4 441 B20R3.8097 Cc1cnccc1CSc2csc3c2ccnc3 62a_100009817111_100020672808 [0,1,0,0,0,0|3,0,0]=4 442 B20R3.8097 Cc1cnccc1CSc2csc3c2ccnc3 62a_100020672808_100009817111 [0,1,0,0,0,0|3,0,0]=4 443 B20R3.8097 Cc1cnccc1CSc2csc3c2cncc3 62a_100010247091_100020672808 [0,1,0,0,0,0|3,0,0]=4 444 B20R3.8097 Cc1cnccc1CSc2csc3c2cncc3 62a_100020672808_100010247091 [0,1,0,0,0,0|3,0,0]=4 445 B20R3.8097 Cc1cnccc1CSc2csc3c2nccc3 62a_100020672808_100010247092 [0,1,0,0,0,0|3,0,0]=4 446 B20R3.8097 Cc1cnccc1CSc2n[nH]c3c2cccc3 62a_100020672808_100000050141 [0,1,0,0,0,0|2,0,0]=3 447 B20R3.8097 Cc1cnccc1CSc2n[nH]c3c2cccn3 62a_100020672808_100009888962 [0,1,0,0,0,0|3,0,0]=4 448 B20R3.8097 Cc1cnccc1CSc2n[nH]c3c2ccnc3 62a_100020672808_100010244369 [0,1,0,0,0,0|3,0,0]=4 449 B20R3.8097 Cc1cnccc1CSc2n[nH]c3c2cncc3 62a_100020672808_100009820117 [0,1,0,0,0,0|3,0,0]=4 450 B20R3.8097 Cc1cnccc1CSc2n[nH]c3c2nccc3 62a_100020672808_100009817118 [0,1,0,0,0,0|3,0,0]=4 451 B20R3.8097 Cc1cnccc1CSc2noc3c2cccc3 62a_100020672808_200000703156 [0,1,0,0,0,0|3,0,0]=4 452 B20R3.8097 Cc1cnccc1CSc2noc3c2cccc3 62a_200000703156_100020672808 [0,1,0,0,0,0|3,0,0]=4 453 B20R3.8097 Cc1cnccc1NCc2cnc3n2cccc3 27a_100015187830_100000765111 [0,1,0,0,0,0|2,0,1]=4 454 B20R3.8097 Cc1cnccc1NCc2csc3c2cccc3 27a_100000744611_100000765111 [0,1,0,0,0,0|2,0,0]=3 455 B20R3.8097 Cc1cnccc1OCc2csc3c2cccc3 34a_100000694293_200000742921 [0,1,0,0,0,0|2,0,0]=3 456 B20R3.8097 Cc1cnccc1OCc2noc3c2cccc3 34a_100000694293_100009813815 [0,1,0,0,0,0|3,0,0]=4 457 B20R3.8097 Cc1cnccc1SCc2csc3c2cccc3 62a_100000765111_200000742921 [0,1,0,0,0,0|2,0,0]=3 458 B20R3.8097 Cc1cnccc1SCc2csc3c2cccc3 62a_200000742921_100000765111 [0,1,0,0,0,0|2,0,0]=3 459 B20R3.8097 Cc1cnccc1SCc2noc3c2cccc3 62a_100000765111_100009813815 [0,1,0,0,0,0|3,0,0]=4 460 B20R3.8097 Cc1cnccc1SCc2noc3c2cccc3 62a_100009813815_100000765111 [0,1,0,0,0,0|3,0,0]=4 461 B20R3.8097 Cc1cncnc1NCc2csc3c2cccc3 27a_100000744611_100011998708 [0,1,0,0,0,0|3,0,0]=4 462 B20R3.8097 Cc1cncnc1SCc2csc3c2cccc3 62a_100011998708_200000742921 [0,1,0,0,0,0|3,0,0]=4 463 B20R3.8097 Cc1cncnc1SCc2csc3c2cccc3 62a_200000742921_100011998708 [0,1,0,0,0,0|3,0,0]=4 464 B20R3.8097 Clc1ccccc1COc2csc3c2cccc3 34a_100000077758_100000187162 [0,1,0,0,0,0|3,0,0]=4 465 B20R3.8097 Clc1ccccc1COc2csc3c2cccc3 7a_100000077758_100000187162 [0,1,0,0,0,0|3,0,0]=4 466 B20R3.8097 Clc1ccccc1CSc2c[nH]c3c2cccn3 62a_100000187162_100011934613 [0,1,0,0,0,0|3,0,0]=4 467 B20R3.8097 Clc1ccccc1CSc2c[nH]c3c2ccnc3 62a_100000187162_100010232032 [0,1,0,0,0,0|3,0,0]=4 468 B20R3.8097 Clc1ccccc1CSc2c[nH]c3c2cncc3 62a_100000187162_100000753697 [0,1,0,0,0,0|3,0,0]=4 469 B20R3.8097 Clc1ccccc1CSc2c[nH]c3c2nccc3 62a_100000187162_100009817151 [0,1,0,0,0,0|3,0,0]=4 470 B20R3.8097 Clc1ccccc1CSc2coc3c2cccc3 62a_100000187162_100009812202 [0,1,0,0,0,0|3,0,0]=4 471 B20R3.8097 Clc1ccccc1CSc2csc3c2cccc3 62a_100000187162_100009813928 [0,1,0,0,0,0|3,0,0]=4 472 B20R3.8097 Clc1ccccc1CSc2n[nH]c3c2cccc3 62a_100000187162_100000050141 [0,1,0,0,0,0|3,0,0]=4 473 B20R3.8097 Clc1ccccc1NCc2coc3c2cccc3 207a_100000185783_100000688544 [0,1,0,0,0,0|3,0,0]=4 474 B20R3.8097 Clc1ccccc1NCc2csc3c2cccc3 207a_100000185783_100000239721 [0,1,0,0,0,0|3,0,0]=4 475 B20R3.8097 Clc1ccccc1NCc2csc3c2cccc3 34a_100000185783_200000742921 [0,1,0,0,0,0|3,0,0]=4 476 B20R3.8097 Clc1ccccc1NCc2n[nH]c3c2cccc3 207a_100000185783_100000059708 [0,1,0,0,0,0|3,0,0]=4 477 B20R3.8097 Clc1ccccc1OCc2csc3c2cccc3 34a_100000210172_200000742921 [0,1,0,0,0,0|3,0,0]=4 478 B20R3.8097 Clc1ccccc1SCc2csc3c2cccc3 62a_100000764095_200000742921 [0,1,0,0,0,0|3,0,0]=4 479 B20R3.8097 Clc1ccccc1SCc2csc3c2cccc3 62a_200000742921_100000764095 [0,1,0,0,0,0|3,0,0]=4 480 B20R3.8097 Clc1cnccc1COc2csc3c2cccc3 7a_100000077758_100000763264 [0,1,0,0,0,0|2,0,0]=3 481 B20R3.8097 Clc1cnccc1CSc2c[nH]c3c2cccn3 62a_100000763264_100011934613 [0,1,0,0,0,0|2,0,0]=3 482 B20R3.8097 Clc1cnccc1CSc2c[nH]c3c2ccnc3 62a_100000763264_100010232032 [0,1,0,0,0,0|2,0,0]=3 483 B20R3.8097 Clc1cnccc1CSc2c[nH]c3c2cncc3 62a_100000763264_100000753697 [0,1,0,0,0,0|2,0,0]=3 484 B20R3.8097 Clc1cnccc1CSc2c[nH]c3c2cncn3 62a_100000763264_100000072862 [0,1,0,0,0,0|3,0,0]=4 485 B20R3.8097 Clc1cnccc1CSc2c[nH]c3c2cncn3 62a_100009817560_100000763264 [0,1,0,0,0,0|3,0,0]=4 486 B20R3.8097 Clc1cnccc1CSc2c[nH]c3c2nccc3 62a_100000763264_100009817151 [0,1,0,0,0,0|2,0,0]=3 487 B20R3.8097 Clc1cnccc1CSc2c[nH]c3c2nccn3 62a_100000763264_100009819587 [0,1,0,0,0,0|3,0,0]=4 488 B20R3.8097 Clc1cnccc1CSc2cnc3n2cccc3 62a_100000763264_100011219245 [0,1,0,0,0,0|2,0,1]=4 489 B20R3.8097 Clc1cnccc1CSc2cnn3c2cccc3 62a_100000763264_100009817726 [0,1,0,0,0,0|2,0,1]=4 490 B20R3.8097 Clc1cnccc1CSc2coc3c2cccc3 62a_100000763264_100009812202 [0,1,0,0,0,0|2,0,0]=3 491 B20R3.8097 Clc1cnccc1CSc2coc3c2nccc3 62a_100000763264_100009889148 [0,1,0,0,0,0|3,0,0]=4 492 B20R3.8097 Clc1cnccc1CSc2csc3c2cccc3 62a_100000763264_100009813928 [0,1,0,0,0,0|2,0,0]=3 493 B20R3.8097 Clc1cnccc1CSc2csc3c2cccn3 62a_100000763264_100009830249 [0,1,0,0,0,0|3,0,0]=4 494 B20R3.8097 Clc1cnccc1CSc2csc3c2cccn3 62a_100009830249_100000763264 [0,1,0,0,0,0|3,0,0]=4 495 B20R3.8097 Clc1cnccc1CSc2csc3c2ccnc3 62a_100000763264_100009817111 [0,1,0,0,0,0|3,0,0]=4 496 B20R3.8097 Clc1cnccc1CSc2csc3c2ccnc3 62a_100009817111_100000763264 [0,1,0,0,0,0|3,0,0]=4 497 B20R3.8097 Clc1cnccc1CSc2csc3c2cncc3 62a_100000763264_100010247091 [0,1,0,0,0,0|3,0,0]=4 498 B20R3.8097 Clc1cnccc1CSc2csc3c2cncc3 62a_100010247091_100000763264 [0,1,0,0,0,0|3,0,0]=4 499 B20R3.8097 Clc1cnccc1CSc2csc3c2nccc3 62a_100000763264_100010247092 [0,1,0,0,0,0|3,0,0]=4 500 B20R3.8097 Clc1cnccc1CSc2n[nH]c3c2cccc3 62a_100000763264_100000050141 [0,1,0,0,0,0|2,0,0]=3 501 B20R3.8097 Clc1cnccc1CSc2n[nH]c3c2cccn3 62a_100000763264_100009888962 [0,1,0,0,0,0|3,0,0]=4 502 B20R3.8097 Clc1cnccc1CSc2n[nH]c3c2ccnc3 62a_100000763264_100010244369 [0,1,0,0,0,0|3,0,0]=4 503 B20R3.8097 Clc1cnccc1CSc2n[nH]c3c2cncc3 62a_100000763264_100009820117 [0,1,0,0,0,0|3,0,0]=4 504 B20R3.8097 Clc1cnccc1CSc2n[nH]c3c2nccc3 62a_100000763264_100009817118 [0,1,0,0,0,0|3,0,0]=4 505 B20R3.8097 Clc1cnccc1CSc2noc3c2cccc3 62a_100000763264_200000703156 [0,1,0,0,0,0|3,0,0]=4 506 B20R3.8097 Clc1cnccc1CSc2noc3c2cccc3 62a_200000703156_100000763264 [0,1,0,0,0,0|3,0,0]=4 507 B20R3.8097 Clc1cnccc1OCc2csc3c2cccc3 34a_100011997054_200000742921 [0,1,0,0,0,0|2,0,0]=3 508 B20R3.8097 Clc1cnccc1OCc2noc3c2cccc3 34a_100011997054_100009813815 [0,1,0,0,0,0|3,0,0]=4 509 B20R3.8097 Clc1cnccc1SCc2csc3c2cccc3 62a_100000708259_200000742921 [0,1,0,0,0,0|2,0,0]=3 510 B20R3.8097 Clc1cnccc1SCc2csc3c2cccc3 62a_200000742921_100000708259 [0,1,0,0,0,0|2,0,0]=3 511 B20R3.8097 Clc1cnccc1SCc2noc3c2cccc3 62a_100000708259_100009813815 [0,1,0,0,0,0|3,0,0]=4 512 B20R3.8097 Clc1cnccc1SCc2noc3c2cccc3 62a_100009813815_100000708259 [0,1,0,0,0,0|3,0,0]=4 513 B20R3.8097 Fc1ccccc1COc2csc3c2cccc3 34a_100000077758_100000211605 [0,1,0,0,0,0|3,0,0]=4 514 B20R3.8097 Fc1ccccc1COc2csc3c2cccc3 7a_100000077758_100000211605 [0,1,0,0,0,0|3,0,0]=4 515 B20R3.8097 Fc1ccccc1CSc2c[nH]c3c2cccn3 62a_100000211605_100011934613 [0,1,0,0,0,0|3,0,0]=4 516 B20R3.8097 Fc1ccccc1CSc2c[nH]c3c2ccnc3 62a_100000211605_100010232032 [0,1,0,0,0,0|3,0,0]=4 517 B20R3.8097 Fc1ccccc1CSc2c[nH]c3c2cncc3 62a_100000211605_100000753697 [0,1,0,0,0,0|3,0,0]=4 518 B20R3.8097 Fc1ccccc1CSc2c[nH]c3c2nccc3 62a_100000211605_100009817151 [0,1,0,0,0,0|3,0,0]=4 519 B20R3.8097 Fc1ccccc1CSc2coc3c2cccc3 62a_100000211605_100009812202 [0,1,0,0,0,0|3,0,0]=4 520 B20R3.8097 Fc1ccccc1CSc2csc3c2cccc3 62a_100000211605_100009813928 [0,1,0,0,0,0|3,0,0]=4 521 B20R3.8097 Fc1ccccc1CSc2n[nH]c3c2cccc3 62a_100000211605_100000050141 [0,1,0,0,0,0|3,0,0]=4 522 B20R3.8097 Fc1ccccc1NCc2coc3c2cccc3 207a_100000210422_100000688544 [0,1,0,0,0,0|3,0,0]=4 523 B20R3.8097 Fc1ccccc1NCc2csc3c2cccc3 207a_100000210422_100000239721 [0,1,0,0,0,0|3,0,0]=4 524 B20R3.8097 Fc1ccccc1NCc2csc3c2cccc3 34a_100000210422_200000742921 [0,1,0,0,0,0|3,0,0]=4 525 B20R3.8097 Fc1ccccc1NCc2n[nH]c3c2cccc3 207a_100000210422_100000059708 [0,1,0,0,0,0|3,0,0]=4 526 B20R3.8097 Fc1ccccc1OCc2csc3c2cccc3 34a_100000210171_200000742921 [0,1,0,0,0,0|3,0,0]=4 527 B20R3.8097 Fc1ccccc1SCc2csc3c2cccc3 62a_100011215700_200000742921 [0,1,0,0,0,0|3,0,0]=4 528 B20R3.8097 Fc1ccccc1SCc2csc3c2cccc3 62a_200000742921_100011215700 [0,1,0,0,0,0|3,0,0]=4 529 B20R3.8097 Fc1cnccc1CNc2n[nH]c3c2cccn3 27a_100011935246_100009818534 [0,1,0,0,0,0|3,0,0]=4 530 B20R3.8097 Fc1cnccc1CNc2n[nH]c3c2cncc3 27a_100011935246_100009820117 [0,1,0,0,0,0|3,0,0]=4 531 B20R3.8097 Fc1cnccc1CNc2n[nH]c3c2nccc3 27a_100011935246_100009817118 [0,1,0,0,0,0|3,0,0]=4 532 B20R3.8097 Fc1cnccc1NCc2cnc3n2cccc3 27a_100015187830_100000035921 [0,1,0,0,0,0|2,0,1]=4 533 B20R3.8097 Fc1cnccc1NCc2csc3c2cccc3 27a_100000744611_100000035921 [0,1,0,0,0,0|2,0,0]=3 534 B20R3.8097 Fc1cnccc1OCc2csc3c2cccc3 34a_200000081243_200000742921 [0,1,0,0,0,0|2,0,0]=3 535 B20R3.8097 Fc1cnccc1OCc2noc3c2cccc3 34a_200000081243_100009813815 [0,1,0,0,0,0|3,0,0]=4 536 B20R3.8097 Fc1cnccc1SCc2csc3c2cccc3 62a_100000047030_200000742921 [0,1,0,0,0,0|2,0,0]=3 537 B20R3.8097 Fc1cnccc1SCc2csc3c2cccc3 62a_200000742921_100000047030 [0,1,0,0,0,0|2,0,0]=3 538 B20R3.8097 Fc1cnccc1SCc2noc3c2cccc3 62a_100000047030_100009813815 [0,1,0,0,0,0|3,0,0]=4 539 B20R3.8097 Fc1cnccc1SCc2noc3c2cccc3 62a_100009813815_100000047030 [0,1,0,0,0,0|3,0,0]=4 540 B20R3.8097 Fc1cncnc1NCc2csc3c2cccc3 27a_100000744611_100000069762 [0,1,0,0,0,0|3,0,0]=4 541 B20R3.8097 Fc1cncnc1SCc2csc3c2cccc3 62a_100000069762_200000742921 [0,1,0,0,0,0|3,0,0]=4 542 B20R3.8097 Fc1cncnc1SCc2csc3c2cccc3 62a_200000742921_100000069762 [0,1,0,0,0,0|3,0,0]=4 543 B20R3.8097 Ic1ccccc1COc2csc3c2cccc3 34a_100000077758_100011215278 [0,1,0,0,0,0|3,0,0]=4 544 B20R3.8097 Ic1ccccc1COc2csc3c2cccc3 7a_100000077758_100011215278 [0,1,0,0,0,0|3,0,0]=4 545 B20R3.8097 Ic1ccccc1CSc2c[nH]c3c2cccn3 62a_100011216222_100011934613 [0,1,0,0,0,0|3,0,0]=4 546 B20R3.8097 Ic1ccccc1CSc2c[nH]c3c2ccnc3 62a_100011216222_100010232032 [0,1,0,0,0,0|3,0,0]=4 547 B20R3.8097 Ic1ccccc1CSc2c[nH]c3c2cncc3 62a_100011216222_100000753697 [0,1,0,0,0,0|3,0,0]=4 548 B20R3.8097 Ic1ccccc1CSc2c[nH]c3c2nccc3 62a_100011216222_100009817151 [0,1,0,0,0,0|3,0,0]=4 549 B20R3.8097 Ic1ccccc1CSc2coc3c2cccc3 62a_100011216222_100009812202 [0,1,0,0,0,0|3,0,0]=4 550 B20R3.8097 Ic1ccccc1CSc2csc3c2cccc3 62a_100011216222_100009813928 [0,1,0,0,0,0|3,0,0]=4 551 B20R3.8097 Ic1ccccc1CSc2n[nH]c3c2cccc3 62a_100011216222_100000050141 [0,1,0,0,0,0|3,0,0]=4 552 B20R3.8097 Ic1ccccc1NCc2coc3c2cccc3 207a_100000210053_100000688544 [0,1,0,0,0,0|3,0,0]=4 553 B20R3.8097 Ic1ccccc1NCc2csc3c2cccc3 207a_100000210053_100000239721 [0,1,0,0,0,0|3,0,0]=4 554 B20R3.8097 Ic1ccccc1NCc2csc3c2cccc3 34a_100000210053_200000742921 [0,1,0,0,0,0|3,0,0]=4 555 B20R3.8097 Ic1ccccc1NCc2n[nH]c3c2cccc3 207a_100000210053_100000059708 [0,1,0,0,0,0|3,0,0]=4 556 B20R3.8097 Ic1ccccc1OCc2csc3c2cccc3 34a_100000739446_200000742921 [0,1,0,0,0,0|3,0,0]=4 557 B20R3.8097 Nc1ccccc1OCc2csc3c2cccc3 34a_100000185747_200000742921 [0,1,0,0,0,0|3,0,0]=4 558 B20R3.8097 Nc1ccccc1SCc2csc3c2cccc3 62a_100000210017_200000742921 [0,1,0,0,0,0|3,0,0]=4 559 B20R3.8097 Nc1ccccc1SCc2csc3c2cccc3 62a_200000742921_100000210017 [0,1,0,0,0,0|3,0,0]=4 560 B20R3.8097 Nc1cnccc1SCc2csc3c2cccc3 62a_100000756074_200000742921 [0,1,0,0,0,0|2,0,0]=3 561 B20R3.8097 Nc1cnccc1SCc2csc3c2cccc3 62a_200000742921_100000756074 [0,1,0,0,0,0|2,0,0]=3 562 B20R3.8097 Nc1cnccc1SCc2noc3c2cccc3 62a_100000756074_100009813815 [0,1,0,0,0,0|3,0,0]=4 563 B20R3.8097 Nc1cnccc1SCc2noc3c2cccc3 62a_100009813815_100000756074 [0,1,0,0,0,0|3,0,0]=4 564 B20R3.8097 Nc1cncnc1NCc2csc3c2cccc3 27a_100000744611_100000709731 [0,1,0,0,0,0|3,0,0]=4 565 B20R3.8097 Nc1cncnc1SCc2csc3c2cccc3 62a_100000709731_200000742921 [0,1,0,0,0,0|3,0,0]=4 566 B20R3.8097 Nc1cncnc1SCc2csc3c2cccc3 62a_200000742921_100000709731 [0,1,0,0,0,0|3,0,0]=4 567 B20R3.8097 Nc1cnncc1SCc2csc3c2cccc3 62a_100009829405_200000742921 [0,1,0,0,0,0|3,0,0]=4 568 B20R3.8097 Nc1cnncc1SCc2csc3c2cccc3 62a_200000742921_100009829405 [0,1,0,0,0,0|3,0,0]=4 569 B20R3.8097 O=c1[nH]nccc1NCc2csc3c2cccc3 27a_100000744611_100000087129 [0,1,0,0,0,0|3,0,0]=4 570 B20R3.8097 O=c1[nH]nccc1SCc2csc3c2cccc3 62a_200000742921_100000087129 [0,1,0,0,0,0|3,0,0]=4 571 B20R3.8097 Oc1ccccc1NCc2csc3c2cccc3 34a_100000185747_200000742921 [0,1,0,0,0,0|3,0,0]=4 572 B20R3.8097 Oc1ccccc1SCc2csc3c2cccc3 62a_100000739446_200000742921 [0,1,0,0,0,0|3,0,0]=4 573 B20R3.8097 Oc1ccccc1SCc2csc3c2cccc3 62a_200000742921_100000739446 [0,1,0,0,0,0|3,0,0]=4 574 B20R3.8097 Oc1cnccc1SCc2csc3c2cccc3 62a_100009817591_200000742921 [0,1,0,0,0,0|2,0,0]=3 575 B20R3.8097 Oc1cnccc1SCc2csc3c2cccc3 62a_200000742921_100009817591 [0,1,0,0,0,0|2,0,0]=3 576 B20R3.8097 Oc1cnccc1SCc2noc3c2cccc3 62a_100009813815_100009817591 [0,1,0,0,0,0|3,0,0]=4 577 B20R3.8097 Oc1cnccc1SCc2noc3c2cccc3 62a_100009817591_100009813815 [0,1,0,0,0,0|3,0,0]=4 578 B20R3.12141 Brc1cccc2c1[nH]nc2CNc3ccccc3 207a_100000106764_100009814788 [0,1,0,0,0,0|3,0,0]=4 579 B20R3.12141 Brc1cccc2c1[nH]nc2SCc3ccccc3 62a_100000211182_100010197283 [0,1,0,0,0,0|3,0,0]=4 580 B20R3.12141 Brc1cccc2c1[nH]nc2SCc3ccncc3 62a_100015193705_100010197283 [0,1,0,0,0,0|2,0,0]=3 581 B20R3.12141 Brc1cccn2c1ncc2SCc3ccncc3 62a_100013004016_100015193705 [0,1,0,0,0,0|2,0,1]=4 582 B20R3.12141 Brc1cccn2c1ncc2SCc3ccncc3 62a_100015193705_100013004016 [0,1,0,0,0,0|2,0,1]=4 583 B20R3.12141 Cc1cccc2c1[nH]nc2CNc3ccccc3 207a_100000106764_100000050344 [0,1,0,0,0,0|3,0,0]=4 584 B20R3.12141 Cc1cccc2c1[nH]nc2CNc3ccccc3 270302a_100000106764_100000050344 [0,1,0,0,0,0|3,0,0]=4 585 B20R3.12141 Cc1cccc2c1[nH]nc2SCc3ccccc3 62a_100000211182_100010186057 [0,1,0,0,0,0|3,0,0]=4 586 B20R3.12141 Cc1cccc2c1[nH]nc2SCc3ccncc3 62a_100015193705_100010186057 [0,1,0,0,0,0|2,0,0]=3 587 B20R3.12141 Cc1cccn2c1ncc2SCc3ccncc3 62a_100015193705_100012351083 [0,1,0,0,0,0|2,0,1]=4 588 B20R3.12141 Clc1cccc2c1[nH]nc2SCc3ccccc3 62a_100000211182_100000050086 [0,1,0,0,0,0|3,0,0]=4 589 B20R3.12141 Clc1cccc2c1[nH]nc2SCc3ccncc3 62a_100015193705_100000050086 [0,1,0,0,0,0|2,0,0]=3 590 B20R3.12141 Clc1cccn2c1ncc2SCc3ccncc3 62a_100015193705_100010025871 [0,1,0,0,0,0|2,0,1]=4 591 B20R3.12141 Clc1ccnc2c1[nH]cc2SCc3ccccc3 62a_100000211182_100010168581 [0,1,0,0,0,0|3,0,0]=4 592 B20R3.12141 Clc1ccnc2c1[nH]cc2SCc3ccncc3 62a_100015193705_100010168581 [0,1,0,0,0,0|2,0,0]=3 593 B20R3.12141 Clc1nccc2c1[nH]nc2SCc3ccncc3 62a_100015193705_100010009562 [0,1,0,0,0,0|3,0,0]=4 594 B20R3.12141 Clc1ncnc2c1[nH]cc2SCc3ccncc3 62a_100015193705_100010988924 [0,1,0,0,0,0|3,0,0]=4 595 B20R3.12141 Fc1cccc2c1[nH]nc2SCc3ccccc3 62a_100000211182_100010231504 [0,1,0,0,0,0|3,0,0]=4 596 B20R3.12141 Fc1cccc2c1[nH]nc2SCc3ccncc3 62a_100015193705_100010231504 [0,1,0,0,0,0|2,0,0]=3 597 B20R3.12141 Fc1cccn2c1ncc2SCc3ccncc3 62a_100009817165_100015193705 [0,1,0,0,0,0|2,0,1]=4 598 B20R3.12141 Fc1cccn2c1ncc2SCc3ccncc3 62a_100015193705_100009817165 [0,1,0,0,0,0|2,0,1]=4 599 B20R3.12141 Nc1cccc2c1[nH]nc2SCc3ccccc3 62a_100000211182_100009888981 [0,1,0,0,0,0|3,0,0]=4 600 B20R3.12141 Nc1cccc2c1[nH]nc2SCc3ccncc3 62a_100015193705_100009888981 [0,1,0,0,0,0|2,0,0]=3 601 B20R3.12141 O=c1[nH]cnc2c1[nH]cc2SCc3ccncc3 62a_100015193705_200010089858 [0,1,0,0,0,0|3,0,0]=4 602 B20R3.12141 Oc1cccc2c1[nH]nc2SCc3ccccc3 62a_100000211182_200010988877 [0,1,0,0,0,0|3,0,0]=4 603 B20R3.12141 Oc1cccc2c1[nH]nc2SCc3ccncc3 62a_100015193705_200010988877 [0,1,0,0,0,0|2,0,0]=3 604 B20R3.12141 Oc1cccn2c1ncc2SCc3ccncc3 62a_100015193705_200020799507 [0,1,0,0,0,0|2,0,1]=4 605 B20R3.13142 Cc1[nH]c2ncccc2c1SCc3ccccc3 62a_100000211182_100010174266 [0,1,0,0,0,0|3,0,0]=4 606 B20R3.13142 Cc1[nH]c2ncccc2c1SCc3ccncc3 62a_100015193705_100010174266 [0,1,0,0,0,0|2,0,0]=3 607 B20R3.13142 Cc1nc2ccccn2c1SCc3ccncc3 62a_100000762796_100015193705 [0,1,0,0,0,0|2,0,1]=4 608 B20R3.13142 Cc1nc2ccccn2c1SCc3ccncc3 62a_100015193705_100000762796 [0,1,0,0,0,0|2,0,1]=4 609 B20R3.13142 Cc1oc2ccccc2c1SCc3ccccc3 62a_100000211182_200010236113 [0,1,0,0,0,0|3,0,0]=4 610 B20R3.13142 Cc1oc2ccccc2c1SCc3ccncc3 62a_100015193705_200010236113 [0,1,0,0,0,0|2,0,0]=3 611 B20R3.13142 Cc1sc2ccccc2c1CNc3ccccc3 207a_100000106764_100000066825 [0,1,0,0,0,0|3,0,0]=4 612 B20R3.13142 Cc1sc2ccccc2c1CNc3ccccc3 270302a_100000106764_100000066825 [0,1,0,0,0,0|3,0,0]=4 613 B20R3.13142 Cc1sc2ccccc2c1SCc3ccccc3 62a_100000211182_100010002616 [0,1,0,0,0,0|3,0,0]=4 614 B20R3.13142 Cc1sc2ccccc2c1SCc3ccccc3 62a_100010002616_100015291786 [0,1,0,0,0,0|3,0,0]=4 615 B20R3.13142 Cc1sc2ccccc2c1SCc3ccncc3 62a_100010002616_100015193705 [0,1,0,0,0,0|2,0,0]=3 616 B20R3.13142 Cc1sc2ccccc2c1SCc3ccncc3 62a_100015193705_100010002616 [0,1,0,0,0,0|2,0,0]=3 617 B20R3.13142 Cn1nc2ccccc2c1SCc3ccncc3 62a_100010163699_100015193705 [0,1,0,0,0,0|2,0,1]=4 618 B20R3.13142 Cn1nc2ccccc2c1SCc3ccncc3 62a_100015193705_100010163699 [0,1,0,0,0,0|2,0,1]=4 619 B20R3.13142 O=C1Nc2ccccc2C1=NNc3ccccc3 4a_100015195140_100000185742 [0,1,0,0,0,0|3,0,0]=4 620 B20R3.13142 O=C1Nc2ccccc2C1=NNc3ccncc3 4a_100000698918_100000185742 [0,1,0,0,0,0|2,0,0]=3 621 B20R3.13142 O=C1Nc2ccccc2C1=NNc3ccncn3 4a_100011438088_100000185742 [0,1,0,0,0,0|3,0,0]=4 622 B20R3.13142 O=C1Nc2ccccc2C1SCc3ccccc3 62a_100000211182_200009996675 [0,1,0,0,0,0|2,0,1]=4 623 B20R3.13142 O=C1Nc2ccccc2C1SCc3ccncc3 62a_100015193705_200009996675 [0,1,0,0,0,0|1,0,1]=3 624 B20R3.13142 O=C1Nc2ncccc2C1=NNc3ccncc3 4a_100000698918_100000098433 [0,1,0,0,0,0|3,0,0]=4 625 B20R3.13142 O=C1Sc2ccccc2C1=NNc3ccncc3 4a_100000698918_100011996146 [0,1,0,0,0,0|3,0,0]=4 626 B20R3.14372 Brc1cc(ccn1)CNc2n[nH]c3c2cccn3 27a_100025757509_100009818534 [0,1,0,0,0,0|3,0,0]=4 627 B20R3.14372 Brc1cc(ccn1)CNc2n[nH]c3c2cncc3 27a_100025757509_100009820117 [0,1,0,0,0,0|3,0,0]=4 628 B20R3.14372 Brc1cc(ccn1)CNc2n[nH]c3c2nccc3 27a_100025757509_100009817118 [0,1,0,0,0,0|3,0,0]=4 629 B20R3.14372 Brc1cc(ccn1)COc2csc3c2cccc3 34a_100000077758_100010243470 [0,1,0,0,0,0|2,0,0]=3 630 B20R3.14372 Brc1cc(ccn1)COc2csc3c2cccc3 7a_100000077758_100010254460 [0,1,0,0,0,0|2,0,0]=3 631 B20R3.14372 Brc1cc(ccn1)CSc2c[nH]c3c2cccn3 62a_100010254460_100011934613 [0,1,0,0,0,0|2,0,0]=3 632 B20R3.14372 Brc1cc(ccn1)CSc2c[nH]c3c2ccnc3 62a_100010254460_100010232032 [0,1,0,0,0,0|2,0,0]=3 633 B20R3.14372 Brc1cc(ccn1)CSc2c[nH]c3c2cncc3 62a_100010254460_100000753697 [0,1,0,0,0,0|2,0,0]=3 634 B20R3.14372 Brc1cc(ccn1)CSc2c[nH]c3c2cncn3 62a_100009817560_100010243470 [0,1,0,0,0,0|3,0,0]=4 635 B20R3.14372 Brc1cc(ccn1)CSc2c[nH]c3c2cncn3 62a_100010254460_100000072862 [0,1,0,0,0,0|3,0,0]=4 636 B20R3.14372 Brc1cc(ccn1)CSc2c[nH]c3c2nccc3 62a_100010254460_100009817151 [0,1,0,0,0,0|2,0,0]=3 637 B20R3.14372 Brc1cc(ccn1)CSc2c[nH]c3c2nccn3 62a_100010254460_100009819587 [0,1,0,0,0,0|3,0,0]=4 638 B20R3.14372 Brc1cc(ccn1)CSc2cnc3n2cccc3 62a_100010254460_100011219245 [0,1,0,0,0,0|2,0,1]=4 639 B20R3.14372 Brc1cc(ccn1)CSc2cnn3c2cccc3 62a_100010254460_100009817726 [0,1,0,0,0,0|2,0,1]=4 640 B20R3.14372 Brc1cc(ccn1)CSc2coc3c2cccc3 62a_100010254460_100009812202 [0,1,0,0,0,0|2,0,0]=3 641 B20R3.14372 Brc1cc(ccn1)CSc2coc3c2nccc3 62a_100010254460_100009889148 [0,1,0,0,0,0|3,0,0]=4 642 B20R3.14372 Brc1cc(ccn1)CSc2csc3c2cccc3 62a_100010254460_100009813928 [0,1,0,0,0,0|2,0,0]=3 643 B20R3.14372 Brc1cc(ccn1)CSc2csc3c2cccn3 62a_100009830249_100010243470 [0,1,0,0,0,0|3,0,0]=4 644 B20R3.14372 Brc1cc(ccn1)CSc2csc3c2cccn3 62a_100010254460_100009830249 [0,1,0,0,0,0|3,0,0]=4 645 B20R3.14372 Brc1cc(ccn1)CSc2csc3c2ccnc3 62a_100009817111_100010243470 [0,1,0,0,0,0|3,0,0]=4 646 B20R3.14372 Brc1cc(ccn1)CSc2csc3c2ccnc3 62a_100010254460_100009817111 [0,1,0,0,0,0|3,0,0]=4 647 B20R3.14372 Brc1cc(ccn1)CSc2csc3c2cncc3 62a_100010247091_100010243470 [0,1,0,0,0,0|3,0,0]=4 648 B20R3.14372 Brc1cc(ccn1)CSc2csc3c2cncc3 62a_100010254460_100010247091 [0,1,0,0,0,0|3,0,0]=4 649 B20R3.14372 Brc1cc(ccn1)CSc2csc3c2nccc3 62a_100010254460_100010247092 [0,1,0,0,0,0|3,0,0]=4 650 B20R3.14372 Brc1cc(ccn1)CSc2n[nH]c3c2cccc3 62a_100010254460_100000050141 [0,1,0,0,0,0|2,0,0]=3 651 B20R3.14372 Brc1cc(ccn1)CSc2n[nH]c3c2cccn3 62a_100010254460_100009888962 [0,1,0,0,0,0|3,0,0]=4 652 B20R3.14372 Brc1cc(ccn1)CSc2n[nH]c3c2ccnc3 62a_100010254460_100010244369 [0,1,0,0,0,0|3,0,0]=4 653 B20R3.14372 Brc1cc(ccn1)CSc2n[nH]c3c2cncc3 62a_100010254460_100009820117 [0,1,0,0,0,0|3,0,0]=4 654 B20R3.14372 Brc1cc(ccn1)CSc2n[nH]c3c2nccc3 62a_100010254460_100009817118 [0,1,0,0,0,0|3,0,0]=4 655 B20R3.14372 Brc1cc(ccn1)CSc2noc3c2cccc3 62a_100010254460_200000703156 [0,1,0,0,0,0|3,0,0]=4 656 B20R3.14372 Brc1cc(ccn1)CSc2noc3c2cccc3 62a_200000703156_100010243470 [0,1,0,0,0,0|3,0,0]=4 657 B20R3.14372 Brc1cc(ccn1)SCc2csc3c2cccc3 62a_100009814637_200000742921 [0,1,0,0,0,0|2,0,0]=3 658 B20R3.14372 Brc1cc(ccn1)SCc2csc3c2cccc3 62a_200000742921_100009814637 [0,1,0,0,0,0|2,0,0]=3 659 B20R3.14372 Brc1cc(ccn1)SCc2noc3c2cccc3 62a_100009813815_100009814637 [0,1,0,0,0,0|3,0,0]=4 660 B20R3.14372 Brc1cc(ccn1)SCc2noc3c2cccc3 62a_100009814637_100009813815 [0,1,0,0,0,0|3,0,0]=4 661 B20R3.14372 Brc1cccc(c1)COc2csc3c2cccc3 34a_100000077758_100000698116 [0,1,0,0,0,0|3,0,0]=4 662 B20R3.14372 Brc1cccc(c1)COc2csc3c2cccc3 7a_100000077758_100000211773 [0,1,0,0,0,0|3,0,0]=4 663 B20R3.14372 Brc1cccc(c1)CSc2c[nH]c3c2cccn3 62a_100000211773_100011934613 [0,1,0,0,0,0|3,0,0]=4 664 B20R3.14372 Brc1cccc(c1)CSc2c[nH]c3c2ccnc3 62a_100000211773_100010232032 [0,1,0,0,0,0|3,0,0]=4 665 B20R3.14372 Brc1cccc(c1)CSc2c[nH]c3c2cncc3 62a_100000211773_100000753697 [0,1,0,0,0,0|3,0,0]=4 666 B20R3.14372 Brc1cccc(c1)CSc2c[nH]c3c2nccc3 62a_100000211773_100009817151 [0,1,0,0,0,0|3,0,0]=4 667 B20R3.14372 Brc1cccc(c1)CSc2coc3c2cccc3 62a_100000211773_100009812202 [0,1,0,0,0,0|3,0,0]=4 668 B20R3.14372 Brc1cccc(c1)CSc2csc3c2cccc3 62a_100000211773_100009813928 [0,1,0,0,0,0|3,0,0]=4 669 B20R3.14372 Brc1cccc(c1)CSc2n[nH]c3c2cccc3 62a_100000211773_100000050141 [0,1,0,0,0,0|3,0,0]=4 670 B20R3.14372 Brc1cccc(c1)NCc2c[nH]c3c2cccn3 270302a_100000210019_100000187067 [0,1,0,0,0,0|3,0,0]=4 671 B20R3.14372 Brc1cccc(c1)NCc2c[nH]c3c2nccc3 270302a_100000210019_100000133833 [0,1,0,0,0,0|3,0,0]=4 672 B20R3.14372 Brc1cccc(c1)NCc2coc3c2cccc3 207a_100000210019_100000688544 [0,1,0,0,0,0|3,0,0]=4 673 B20R3.14372 Brc1cccc(c1)NCc2coc3c2cccc3 270302a_100000210019_100000688544 [0,1,0,0,0,0|3,0,0]=4 674 B20R3.14372 Brc1cccc(c1)NCc2csc3c2cccc3 207a_100000210019_100000239721 [0,1,0,0,0,0|3,0,0]=4 675 B20R3.14372 Brc1cccc(c1)NCc2csc3c2cccc3 270302a_100000210019_100000239721 [0,1,0,0,0,0|3,0,0]=4 676 B20R3.14372 Brc1cccc(c1)NCc2csc3c2cccc3 34a_100000210019_200000742921 [0,1,0,0,0,0|3,0,0]=4 677 B20R3.14372 Brc1cccc(c1)NCc2n[nH]c3c2cccc3 207a_100000210019_100000059708 [0,1,0,0,0,0|3,0,0]=4 678 B20R3.14372 Brc1cccc(c1)NCc2n[nH]c3c2cccc3 270302a_100000210019_100000059708 [0,1,0,0,0,0|3,0,0]=4 679 B20R3.14372 Brc1cccc(c1)OCc2csc3c2cccc3 34a_100000210342_200000742921 [0,1,0,0,0,0|3,0,0]=4 680 B20R3.14372 Brc1cccc(c1)SCc2csc3c2cccc3 62a_100000691529_200000742921 [0,1,0,0,0,0|3,0,0]=4 681 B20R3.14372 Brc1cccc(c1)SCc2csc3c2cccc3 62a_200000742921_100000691529 [0,1,0,0,0,0|3,0,0]=4 682 B20R3.14372 Cc1cc(ccn1)CNc2n[nH]c3c2cccn3 27a_100011934566_100009818534 [0,1,0,0,0,0|3,0,0]=4 683 B20R3.14372 Cc1cc(ccn1)CNc2n[nH]c3c2cncc3 27a_100011934566_100009820117 [0,1,0,0,0,0|3,0,0]=4 684 B20R3.14372 Cc1cc(ccn1)CNc2n[nH]c3c2nccc3 27a_100011934566_100009817118 [0,1,0,0,0,0|3,0,0]=4 685 B20R3.14372 Cc1cc(ccn1)COc2csc3c2cccc3 34a_100000077758_200020672517 [0,1,0,0,0,0|2,0,0]=3 686 B20R3.14372 Cc1cc(ccn1)COc2csc3c2cccc3 7a_100000077758_200020672517 [0,1,0,0,0,0|2,0,0]=3 687 B20R3.14372 Cc1cc(ccn1)CSc2c[nH]c3c2cccn3 62a_200020672517_100011934613 [0,1,0,0,0,0|2,0,0]=3 688 B20R3.14372 Cc1cc(ccn1)CSc2c[nH]c3c2ccnc3 62a_200020672517_100010232032 [0,1,0,0,0,0|2,0,0]=3 689 B20R3.14372 Cc1cc(ccn1)CSc2c[nH]c3c2cncc3 62a_200020672517_100000753697 [0,1,0,0,0,0|2,0,0]=3 690 B20R3.14372 Cc1cc(ccn1)CSc2c[nH]c3c2cncn3 62a_100009817560_200020672517 [0,1,0,0,0,0|3,0,0]=4 691 B20R3.14372 Cc1cc(ccn1)CSc2c[nH]c3c2cncn3 62a_200020672517_100000072862 [0,1,0,0,0,0|3,0,0]=4 692 B20R3.14372 Cc1cc(ccn1)CSc2c[nH]c3c2nccc3 62a_200020672517_100009817151 [0,1,0,0,0,0|2,0,0]=3 693 B20R3.14372 Cc1cc(ccn1)CSc2c[nH]c3c2nccn3 62a_200020672517_100009819587 [0,1,0,0,0,0|3,0,0]=4 694 B20R3.14372 Cc1cc(ccn1)CSc2cnc3n2cccc3 62a_200020672517_100011219245 [0,1,0,0,0,0|2,0,1]=4 695 B20R3.14372 Cc1cc(ccn1)CSc2cnn3c2cccc3 62a_200020672517_100009817726 [0,1,0,0,0,0|2,0,1]=4 696 B20R3.14372 Cc1cc(ccn1)CSc2coc3c2cccc3 62a_200020672517_100009812202 [0,1,0,0,0,0|2,0,0]=3 697 B20R3.14372 Cc1cc(ccn1)CSc2coc3c2nccc3 62a_200020672517_100009889148 [0,1,0,0,0,0|3,0,0]=4 698 B20R3.14372 Cc1cc(ccn1)CSc2csc3c2cccc3 62a_200020672517_100009813928 [0,1,0,0,0,0|2,0,0]=3 699 B20R3.14372 Cc1cc(ccn1)CSc2csc3c2cccn3 62a_100009830249_200020672517 [0,1,0,0,0,0|3,0,0]=4 700 B20R3.14372 Cc1cc(ccn1)CSc2csc3c2cccn3 62a_200020672517_100009830249 [0,1,0,0,0,0|3,0,0]=4 701 B20R3.14372 Cc1cc(ccn1)CSc2csc3c2ccnc3 62a_100009817111_200020672517 [0,1,0,0,0,0|3,0,0]=4 702 B20R3.14372 Cc1cc(ccn1)CSc2csc3c2ccnc3 62a_200020672517_100009817111 [0,1,0,0,0,0|3,0,0]=4 703 B20R3.14372 Cc1cc(ccn1)CSc2csc3c2cncc3 62a_100010247091_200020672517 [0,1,0,0,0,0|3,0,0]=4 704 B20R3.14372 Cc1cc(ccn1)CSc2csc3c2cncc3 62a_200020672517_100010247091 [0,1,0,0,0,0|3,0,0]=4 705 B20R3.14372 Cc1cc(ccn1)CSc2csc3c2nccc3 62a_200020672517_100010247092 [0,1,0,0,0,0|3,0,0]=4 706 B20R3.14372 Cc1cc(ccn1)CSc2n[nH]c3c2cccc3 62a_200020672517_100000050141 [0,1,0,0,0,0|2,0,0]=3 707 B20R3.14372 Cc1cc(ccn1)CSc2n[nH]c3c2cccn3 62a_200020672517_100009888962 [0,1,0,0,0,0|3,0,0]=4 708 B20R3.14372 Cc1cc(ccn1)CSc2n[nH]c3c2ccnc3 62a_200020672517_100010244369 [0,1,0,0,0,0|3,0,0]=4 709 B20R3.14372 Cc1cc(ccn1)CSc2n[nH]c3c2cncc3 62a_200020672517_100009820117 [0,1,0,0,0,0|3,0,0]=4 710 B20R3.14372 Cc1cc(ccn1)CSc2n[nH]c3c2nccc3 62a_200020672517_100009817118 [0,1,0,0,0,0|3,0,0]=4 711 B20R3.14372 Cc1cc(ccn1)CSc2noc3c2cccc3 62a_200000703156_200020672517 [0,1,0,0,0,0|3,0,0]=4 712 B20R3.14372 Cc1cc(ccn1)CSc2noc3c2cccc3 62a_200020672517_200000703156 [0,1,0,0,0,0|3,0,0]=4 713 B20R3.14372 Cc1cc(ccn1)NCc2cnc3n2cccc3 27a_100015187830_100000758586 [0,1,0,0,0,0|2,0,1]=4 714 B20R3.14372 Cc1cc(ccn1)NCc2csc3c2cccc3 27a_100000744611_100000758586 [0,1,0,0,0,0|2,0,0]=3 715 B20R3.14372 Cc1cc(ccn1)OCc2csc3c2cccc3 34a_100000688365_200000742921 [0,1,0,0,0,0|2,0,0]=3 716 B20R3.14372 Cc1cc(ccn1)OCc2noc3c2cccc3 34a_100000688365_100009813815 [0,1,0,0,0,0|3,0,0]=4 717 B20R3.14372 Cc1cc(ccn1)SCc2csc3c2cccc3 62a_100000758586_200000742921 [0,1,0,0,0,0|2,0,0]=3 718 B20R3.14372 Cc1cc(ccn1)SCc2csc3c2cccc3 62a_200000742921_100000758586 [0,1,0,0,0,0|2,0,0]=3 719 B20R3.14372 Cc1cc(ccn1)SCc2noc3c2cccc3 62a_100000758586_100009813815 [0,1,0,0,0,0|3,0,0]=4 720 B20R3.14372 Cc1cc(ccn1)SCc2noc3c2cccc3 62a_100009813815_100000758586 [0,1,0,0,0,0|3,0,0]=4 721 B20R3.14372 Cc1cc(ncn1)NCc2csc3c2cccc3 27a_100000744611_100000744208 [0,1,0,0,0,0|3,0,0]=4 722 B20R3.14372 Cc1cc(ncn1)SCc2csc3c2cccc3 62a_100000744208_200000742921 [0,1,0,0,0,0|3,0,0]=4 723 B20R3.14372 Cc1cc(ncn1)SCc2csc3c2cccc3 62a_200000742921_100000744208 [0,1,0,0,0,0|3,0,0]=4 724 B20R3.14372 Cc1cccc(c1)COc2csc3c2cccc3 34a_100000077758_100000211840 [0,1,0,0,0,0|3,0,0]=4 725 B20R3.14372 Cc1cccc(c1)COc2csc3c2cccc3 7a_100000077758_100000211840 [0,1,0,0,0,0|3,0,0]=4 726 B20R3.14372 Cc1cccc(c1)CSc2c[nH]c3c2cccn3 62a_100000211840_100011934613 [0,1,0,0,0,0|3,0,0]=4 727 B20R3.14372 Cc1cccc(c1)CSc2c[nH]c3c2ccnc3 62a_100000211840_100010232032 [0,1,0,0,0,0|3,0,0]=4 728 B20R3.14372 Cc1cccc(c1)CSc2c[nH]c3c2cncc3 62a_100000211840_100000753697 [0,1,0,0,0,0|3,0,0]=4 729 B20R3.14372 Cc1cccc(c1)CSc2c[nH]c3c2nccc3 62a_100000211840_100009817151 [0,1,0,0,0,0|3,0,0]=4 730 B20R3.14372 Cc1cccc(c1)CSc2coc3c2cccc3 62a_100000211840_100009812202 [0,1,0,0,0,0|3,0,0]=4 731 B20R3.14372 Cc1cccc(c1)CSc2csc3c2cccc3 62a_100000211840_100009813928 [0,1,0,0,0,0|3,0,0]=4 732 B20R3.14372 Cc1cccc(c1)CSc2n[nH]c3c2cccc3 62a_100000211840_100000050141 [0,1,0,0,0,0|3,0,0]=4 733 B20R3.14372 Cc1cccc(c1)NCc2c[nH]c3c2cccn3 270302a_100000188690_100000187067 [0,1,0,0,0,0|3,0,0]=4 734 B20R3.14372 Cc1cccc(c1)NCc2c[nH]c3c2nccc3 270302a_100000188690_100000133833 [0,1,0,0,0,0|3,0,0]=4 735 B20R3.14372 Cc1cccc(c1)NCc2coc3c2cccc3 207a_100000188690_100000688544 [0,1,0,0,0,0|3,0,0]=4 736 B20R3.14372 Cc1cccc(c1)NCc2coc3c2cccc3 270302a_100000188690_100000688544 [0,1,0,0,0,0|3,0,0]=4 737 B20R3.14372 Cc1cccc(c1)NCc2csc3c2cccc3 207a_100000188690_100000239721 [0,1,0,0,0,0|3,0,0]=4 738 B20R3.14372 Cc1cccc(c1)NCc2csc3c2cccc3 2230a_100000188690_200000742921 [0,1,0,0,0,0|3,0,0]=4 739 B20R3.14372 Cc1cccc(c1)NCc2csc3c2cccc3 270302a_100000188690_100000239721 [0,1,0,0,0,0|3,0,0]=4 740 B20R3.14372 Cc1cccc(c1)NCc2csc3c2cccc3 34a_100000188690_200000742921 [0,1,0,0,0,0|3,0,0]=4 741 B20R3.14372 Cc1cccc(c1)NCc2n[nH]c3c2cccc3 207a_100000188690_100000059708 [0,1,0,0,0,0|3,0,0]=4 742 B20R3.14372 Cc1cccc(c1)NCc2n[nH]c3c2cccc3 270302a_100000188690_100000059708 [0,1,0,0,0,0|3,0,0]=4 743 B20R3.14372 Cc1cccc(c1)OCc2csc3c2cccc3 34a_100000210337_200000742921 [0,1,0,0,0,0|3,0,0]=4 744 B20R3.14372 Cc1cccc(c1)SCc2csc3c2cccc3 62a_100011215228_200000742921 [0,1,0,0,0,0|3,0,0]=4 745 B20R3.14372 Cc1cccc(c1)SCc2csc3c2cccc3 62a_200000742921_100011215228 [0,1,0,0,0,0|3,0,0]=4 746 B20R3.14372 Cc1nccc(n1)NCc2csc3c2cccc3 27a_100000744611_100000749937 [0,1,0,0,0,0|3,0,0]=4 747 B20R3.14372 Cc1nccc(n1)SCc2csc3c2cccc3 62a_100000749937_200000742921 [0,1,0,0,0,0|3,0,0]=4 748 B20R3.14372 Cc1nccc(n1)SCc2csc3c2cccc3 62a_200000742921_100000749937 [0,1,0,0,0,0|3,0,0]=4 749 B20R3.14372 Clc1cc(ccn1)CNc2n[nH]c3c2cccn3 27a_100015205668_100009818534 [0,1,0,0,0,0|3,0,0]=4 750 B20R3.14372 Clc1cc(ccn1)CNc2n[nH]c3c2cncc3 27a_100015205668_100009820117 [0,1,0,0,0,0|3,0,0]=4 751 B20R3.14372 Clc1cc(ccn1)CNc2n[nH]c3c2nccc3 27a_100015205668_100009817118 [0,1,0,0,0,0|3,0,0]=4 752 B20R3.14372 Clc1cc(ccn1)COc2csc3c2cccc3 34a_100000077758_100000764220 [0,1,0,0,0,0|2,0,0]=3 753 B20R3.14372 Clc1cc(ccn1)COc2csc3c2cccc3 7a_100000077758_100000764220 [0,1,0,0,0,0|2,0,0]=3 754 B20R3.14372 Clc1cc(ccn1)CSc2c[nH]c3c2cccn3 62a_100000764220_100011934613 [0,1,0,0,0,0|2,0,0]=3 755 B20R3.14372 Clc1cc(ccn1)CSc2c[nH]c3c2ccnc3 62a_100000764220_100010232032 [0,1,0,0,0,0|2,0,0]=3 756 B20R3.14372 Clc1cc(ccn1)CSc2c[nH]c3c2cncc3 62a_100000764220_100000753697 [0,1,0,0,0,0|2,0,0]=3 757 B20R3.14372 Clc1cc(ccn1)CSc2c[nH]c3c2cncn3 62a_100000764220_100000072862 [0,1,0,0,0,0|3,0,0]=4 758 B20R3.14372 Clc1cc(ccn1)CSc2c[nH]c3c2cncn3 62a_100009817560_100000764220 [0,1,0,0,0,0|3,0,0]=4 759 B20R3.14372 Clc1cc(ccn1)CSc2c[nH]c3c2nccc3 62a_100000764220_100009817151 [0,1,0,0,0,0|2,0,0]=3 760 B20R3.14372 Clc1cc(ccn1)CSc2c[nH]c3c2nccn3 62a_100000764220_100009819587 [0,1,0,0,0,0|3,0,0]=4 761 B20R3.14372 Clc1cc(ccn1)CSc2cnc3n2cccc3 62a_100000764220_100011219245 [0,1,0,0,0,0|2,0,1]=4 762 B20R3.14372 Clc1cc(ccn1)CSc2cnn3c2cccc3 62a_100000764220_100009817726 [0,1,0,0,0,0|2,0,1]=4 763 B20R3.14372 Clc1cc(ccn1)CSc2coc3c2cccc3 62a_100000764220_100009812202 [0,1,0,0,0,0|2,0,0]=3 764 B20R3.14372 Clc1cc(ccn1)CSc2coc3c2nccc3 62a_100000764220_100009889148 [0,1,0,0,0,0|3,0,0]=4 765 B20R3.14372 Clc1cc(ccn1)CSc2csc3c2cccc3 62a_100000764220_100009813928 [0,1,0,0,0,0|2,0,0]=3 766 B20R3.14372 Clc1cc(ccn1)CSc2csc3c2cccn3 62a_100000764220_100009830249 [0,1,0,0,0,0|3,0,0]=4 767 B20R3.14372 Clc1cc(ccn1)CSc2csc3c2cccn3 62a_100009830249_100000764220 [0,1,0,0,0,0|3,0,0]=4 768 B20R3.14372 Clc1cc(ccn1)CSc2csc3c2ccnc3 62a_100000764220_100009817111 [0,1,0,0,0,0|3,0,0]=4 769 B20R3.14372 Clc1cc(ccn1)CSc2csc3c2ccnc3 62a_100009817111_100000764220 [0,1,0,0,0,0|3,0,0]=4 770 B20R3.14372 Clc1cc(ccn1)CSc2csc3c2cncc3 62a_100000764220_100010247091 [0,1,0,0,0,0|3,0,0]=4 771 B20R3.14372 Clc1cc(ccn1)CSc2csc3c2cncc3 62a_100010247091_100000764220 [0,1,0,0,0,0|3,0,0]=4 772 B20R3.14372 Clc1cc(ccn1)CSc2csc3c2nccc3 62a_100000764220_100010247092 [0,1,0,0,0,0|3,0,0]=4 773 B20R3.14372 Clc1cc(ccn1)CSc2n[nH]c3c2cccc3 62a_100000764220_100000050141 [0,1,0,0,0,0|2,0,0]=3 774 B20R3.14372 Clc1cc(ccn1)CSc2n[nH]c3c2cccn3 62a_100000764220_100009888962 [0,1,0,0,0,0|3,0,0]=4 775 B20R3.14372 Clc1cc(ccn1)CSc2n[nH]c3c2ccnc3 62a_100000764220_100010244369 [0,1,0,0,0,0|3,0,0]=4 776 B20R3.14372 Clc1cc(ccn1)CSc2n[nH]c3c2cncc3 62a_100000764220_100009820117 [0,1,0,0,0,0|3,0,0]=4 777 B20R3.14372 Clc1cc(ccn1)CSc2n[nH]c3c2nccc3 62a_100000764220_100009817118 [0,1,0,0,0,0|3,0,0]=4 778 B20R3.14372 Clc1cc(ccn1)CSc2noc3c2cccc3 62a_100000764220_200000703156 [0,1,0,0,0,0|3,0,0]=4 779 B20R3.14372 Clc1cc(ccn1)CSc2noc3c2cccc3 62a_200000703156_100000764220 [0,1,0,0,0,0|3,0,0]=4 780 B20R3.14372 Clc1cc(ccn1)OCc2csc3c2cccc3 34a_100000762945_200000742921 [0,1,0,0,0,0|2,0,0]=3 781 B20R3.14372 Clc1cc(ccn1)OCc2noc3c2cccc3 34a_100000762945_100009813815 [0,1,0,0,0,0|3,0,0]=4 782 B20R3.14372 Clc1cc(ccn1)SCc2csc3c2cccc3 62a_100000035001_200000742921 [0,1,0,0,0,0|2,0,0]=3 783 B20R3.14372 Clc1cc(ccn1)SCc2csc3c2cccc3 62a_200000742921_100000035001 [0,1,0,0,0,0|2,0,0]=3 784 B20R3.14372 Clc1cc(ccn1)SCc2noc3c2cccc3 62a_100000035001_100009813815 [0,1,0,0,0,0|3,0,0]=4 785 B20R3.14372 Clc1cc(ccn1)SCc2noc3c2cccc3 62a_100009813815_100000035001 [0,1,0,0,0,0|3,0,0]=4 786 B20R3.14372 Clc1cc(cnn1)OCc2csc3c2cccc3 34a_200010734679_200000742921 [0,1,0,0,0,0|3,0,0]=4 787 B20R3.14372 Clc1cc(ncn1)SCc2csc3c2cccc3 62a_100010161198_200000742921 [0,1,0,0,0,0|3,0,0]=4 788 B20R3.14372 Clc1cc(ncn1)SCc2csc3c2cccc3 62a_200000742921_100010161198 [0,1,0,0,0,0|3,0,0]=4 789 B20R3.14372 Clc1cccc(c1)COc2csc3c2cccc3 34a_100000077758_100000187163 [0,1,0,0,0,0|3,0,0]=4 790 B20R3.14372 Clc1cccc(c1)COc2csc3c2cccc3 7a_100000077758_100000187163 [0,1,0,0,0,0|3,0,0]=4 791 B20R3.14372 Clc1cccc(c1)CSc2c[nH]c3c2cccn3 62a_100000187163_100011934613 [0,1,0,0,0,0|3,0,0]=4 792 B20R3.14372 Clc1cccc(c1)CSc2c[nH]c3c2ccnc3 62a_100000187163_100010232032 [0,1,0,0,0,0|3,0,0]=4 793 B20R3.14372 Clc1cccc(c1)CSc2c[nH]c3c2cncc3 62a_100000187163_100000753697 [0,1,0,0,0,0|3,0,0]=4 794 B20R3.14372 Clc1cccc(c1)CSc2c[nH]c3c2nccc3 62a_100000187163_100009817151 [0,1,0,0,0,0|3,0,0]=4 795 B20R3.14372 Clc1cccc(c1)CSc2coc3c2cccc3 62a_100000187163_100009812202 [0,1,0,0,0,0|3,0,0]=4 796 B20R3.14372 Clc1cccc(c1)CSc2csc3c2cccc3 62a_100000187163_100009813928 [0,1,0,0,0,0|3,0,0]=4 797 B20R3.14372 Clc1cccc(c1)CSc2n[nH]c3c2cccc3 62a_100000187163_100000050141 [0,1,0,0,0,0|3,0,0]=4 798 B20R3.14372 Clc1cccc(c1)NCc2c[nH]c3c2cccn3 270302a_100000185859_100000187067 [0,1,0,0,0,0|3,0,0]=4 799 B20R3.14372 Clc1cccc(c1)NCc2c[nH]c3c2nccc3 270302a_100000185859_100000133833 [0,1,0,0,0,0|3,0,0]=4 800 B20R3.14372 Clc1cccc(c1)NCc2coc3c2cccc3 207a_100000185859_100000688544 [0,1,0,0,0,0|3,0,0]=4 801 B20R3.14372 Clc1cccc(c1)NCc2coc3c2cccc3 270302a_100000185859_100000688544 [0,1,0,0,0,0|3,0,0]=4 802 B20R3.14372 Clc1cccc(c1)NCc2csc3c2cccc3 207a_100000185859_100000239721 [0,1,0,0,0,0|3,0,0]=4 803 B20R3.14372 Clc1cccc(c1)NCc2csc3c2cccc3 270302a_100000185859_100000239721 [0,1,0,0,0,0|3,0,0]=4 804 B20R3.14372 Clc1cccc(c1)NCc2csc3c2cccc3 34a_100000185859_200000742921 [0,1,0,0,0,0|3,0,0]=4 805 B20R3.14372 Clc1cccc(c1)NCc2n[nH]c3c2cccc3 207a_100000185859_100000059708 [0,1,0,0,0,0|3,0,0]=4 806 B20R3.14372 Clc1cccc(c1)NCc2n[nH]c3c2cccc3 270302a_100000185859_100000059708 [0,1,0,0,0,0|3,0,0]=4 807 B20R3.14372 Clc1cccc(c1)OCc2csc3c2cccc3 34a_100000210295_200000742921 [0,1,0,0,0,0|3,0,0]=4 808 B20R3.14372 Clc1cccc(c1)SCc2csc3c2cccc3 62a_100000699651_200000742921 [0,1,0,0,0,0|3,0,0]=4 809 B20R3.14372 Clc1cccc(c1)SCc2csc3c2cccc3 62a_200000742921_100000699651 [0,1,0,0,0,0|3,0,0]=4 810 B20R3.14372 Clc1nccc(n1)COc2csc3c2cccc3 34a_100000077758_100000099655 [0,1,0,0,0,0|3,0,0]=4 811 B20R3.14372 Clc1nccc(n1)COc2csc3c2cccc3 7a_100000077758_100000099655 [0,1,0,0,0,0|3,0,0]=4 812 B20R3.14372 Clc1nccc(n1)CSc2c[nH]c3c2cccn3 62a_100000099655_100011934613 [0,1,0,0,0,0|3,0,0]=4 813 B20R3.14372 Clc1nccc(n1)CSc2c[nH]c3c2ccnc3 62a_100000099655_100010232032 [0,1,0,0,0,0|3,0,0]=4 814 B20R3.14372 Clc1nccc(n1)CSc2c[nH]c3c2cncc3 62a_100000099655_100000753697 [0,1,0,0,0,0|3,0,0]=4 815 B20R3.14372 Clc1nccc(n1)CSc2c[nH]c3c2nccc3 62a_100000099655_100009817151 [0,1,0,0,0,0|3,0,0]=4 816 B20R3.14372 Clc1nccc(n1)CSc2coc3c2cccc3 62a_100000099655_100009812202 [0,1,0,0,0,0|3,0,0]=4 817 B20R3.14372 Clc1nccc(n1)CSc2csc3c2cccc3 62a_100000099655_100009813928 [0,1,0,0,0,0|3,0,0]=4 818 B20R3.14372 Clc1nccc(n1)CSc2n[nH]c3c2cccc3 62a_100000099655_100000050141 [0,1,0,0,0,0|3,0,0]=4 819 B20R3.14372 Clc1nccc(n1)SCc2csc3c2cccc3 62a_100010154678_200000742921 [0,1,0,0,0,0|3,0,0]=4 820 B20R3.14372 Clc1nccc(n1)SCc2csc3c2cccc3 62a_200000742921_100010154678 [0,1,0,0,0,0|3,0,0]=4 821 B20R3.14372 Fc1cc(ccn1)CNc2n[nH]c3c2cccn3 27a_100015188774_100009818534 [0,1,0,0,0,0|3,0,0]=4 822 B20R3.14372 Fc1cc(ccn1)CNc2n[nH]c3c2cncc3 27a_100015188774_100009820117 [0,1,0,0,0,0|3,0,0]=4 823 B20R3.14372 Fc1cc(ccn1)CNc2n[nH]c3c2nccc3 27a_100015188774_100009817118 [0,1,0,0,0,0|3,0,0]=4 824 B20R3.14372 Fc1cc(ccn1)NCc2cnc3n2cccc3 27a_100015187830_100009816116 [0,1,0,0,0,0|2,0,1]=4 825 B20R3.14372 Fc1cc(ccn1)NCc2csc3c2cccc3 27a_100000744611_100009816116 [0,1,0,0,0,0|2,0,0]=3 826 B20R3.14372 Fc1cc(ccn1)OCc2csc3c2cccc3 34a_100000732698_200000742921 [0,1,0,0,0,0|2,0,0]=3 827 B20R3.14372 Fc1cc(ccn1)OCc2noc3c2cccc3 34a_100000732698_100009813815 [0,1,0,0,0,0|3,0,0]=4 828 B20R3.14372 Fc1cc(ccn1)SCc2csc3c2cccc3 62a_100009816116_200000742921 [0,1,0,0,0,0|2,0,0]=3 829 B20R3.14372 Fc1cc(ccn1)SCc2csc3c2cccc3 62a_200000742921_100009816116 [0,1,0,0,0,0|2,0,0]=3 830 B20R3.14372 Fc1cc(ccn1)SCc2noc3c2cccc3 62a_100009813815_100009816116 [0,1,0,0,0,0|3,0,0]=4 831 B20R3.14372 Fc1cc(ccn1)SCc2noc3c2cccc3 62a_100009816116_100009813815 [0,1,0,0,0,0|3,0,0]=4 832 B20R3.14372 Fc1cc(ncn1)NCc2csc3c2cccc3 27a_100000744611_200009880791 [0,1,0,0,0,0|3,0,0]=4 833 B20R3.14372 Fc1cc(ncn1)SCc2csc3c2cccc3 62a_200000742921_200009880791 [0,1,0,0,0,0|3,0,0]=4 834 B20R3.14372 Fc1cc(ncn1)SCc2csc3c2cccc3 62a_200009880791_200000742921 [0,1,0,0,0,0|3,0,0]=4 835 B20R3.14372 Fc1cccc(c1)COc2csc3c2cccc3 34a_100000077758_100000187166 [0,1,0,0,0,0|3,0,0]=4 836 B20R3.14372 Fc1cccc(c1)COc2csc3c2cccc3 7a_100000077758_100000230114 [0,1,0,0,0,0|3,0,0]=4 837 B20R3.14372 Fc1cccc(c1)CSc2c[nH]c3c2cccn3 62a_100000230114_100011934613 [0,1,0,0,0,0|3,0,0]=4 838 B20R3.14372 Fc1cccc(c1)CSc2c[nH]c3c2ccnc3 62a_100000230114_100010232032 [0,1,0,0,0,0|3,0,0]=4 839 B20R3.14372 Fc1cccc(c1)CSc2c[nH]c3c2cncc3 62a_100000230114_100000753697 [0,1,0,0,0,0|3,0,0]=4 840 B20R3.14372 Fc1cccc(c1)CSc2c[nH]c3c2nccc3 62a_100000230114_100009817151 [0,1,0,0,0,0|3,0,0]=4 841 B20R3.14372 Fc1cccc(c1)CSc2coc3c2cccc3 62a_100000230114_100009812202 [0,1,0,0,0,0|3,0,0]=4 842 B20R3.14372 Fc1cccc(c1)CSc2csc3c2cccc3 62a_100000230114_100009813928 [0,1,0,0,0,0|3,0,0]=4 843 B20R3.14372 Fc1cccc(c1)CSc2n[nH]c3c2cccc3 62a_100000230114_100000050141 [0,1,0,0,0,0|3,0,0]=4 844 B20R3.14372 Fc1cccc(c1)NCc2c[nH]c3c2cccn3 270302a_100000210047_100000187067 [0,1,0,0,0,0|3,0,0]=4 845 B20R3.14372 Fc1cccc(c1)NCc2c[nH]c3c2nccc3 270302a_100000210047_100000133833 [0,1,0,0,0,0|3,0,0]=4 846 B20R3.14372 Fc1cccc(c1)NCc2coc3c2cccc3 207a_100000210047_100000688544 [0,1,0,0,0,0|3,0,0]=4 847 B20R3.14372 Fc1cccc(c1)NCc2coc3c2cccc3 270302a_100000210047_100000688544 [0,1,0,0,0,0|3,0,0]=4 848 B20R3.14372 Fc1cccc(c1)NCc2csc3c2cccc3 207a_100000210047_100000239721 [0,1,0,0,0,0|3,0,0]=4 849 B20R3.14372 Fc1cccc(c1)NCc2csc3c2cccc3 270302a_100000210047_100000239721 [0,1,0,0,0,0|3,0,0]=4 850 B20R3.14372 Fc1cccc(c1)NCc2csc3c2cccc3 34a_100000210047_200000742921 [0,1,0,0,0,0|3,0,0]=4 851 B20R3.14372 Fc1cccc(c1)NCc2n[nH]c3c2cccc3 207a_100000210047_100000059708 [0,1,0,0,0,0|3,0,0]=4 852 B20R3.14372 Fc1cccc(c1)NCc2n[nH]c3c2cccc3 270302a_100000210047_100000059708 [0,1,0,0,0,0|3,0,0]=4 853 B20R3.14372 Fc1cccc(c1)OCc2csc3c2cccc3 34a_100000210426_200000742921 [0,1,0,0,0,0|3,0,0]=4 854 B20R3.14372 Fc1cccc(c1)SCc2csc3c2cccc3 62a_100000685547_200000742921 [0,1,0,0,0,0|3,0,0]=4 855 B20R3.14372 Fc1cccc(c1)SCc2csc3c2cccc3 62a_200000742921_100000685547 [0,1,0,0,0,0|3,0,0]=4 856 B20R3.14372 Ic1cccc(c1)COc2csc3c2cccc3 34a_100000077758_100011218688 [0,1,0,0,0,0|3,0,0]=4 857 B20R3.14372 Ic1cccc(c1)COc2csc3c2cccc3 7a_100000077758_100011218688 [0,1,0,0,0,0|3,0,0]=4 858 B20R3.14372 Ic1cccc(c1)CSc2c[nH]c3c2cccn3 62a_100011218688_100011934613 [0,1,0,0,0,0|3,0,0]=4 859 B20R3.14372 Ic1cccc(c1)CSc2c[nH]c3c2ccnc3 62a_100011218688_100010232032 [0,1,0,0,0,0|3,0,0]=4 860 B20R3.14372 Ic1cccc(c1)CSc2c[nH]c3c2cncc3 62a_100011218688_100000753697 [0,1,0,0,0,0|3,0,0]=4 861 B20R3.14372 Ic1cccc(c1)CSc2c[nH]c3c2nccc3 62a_100011218688_100009817151 [0,1,0,0,0,0|3,0,0]=4 862 B20R3.14372 Ic1cccc(c1)CSc2coc3c2cccc3 62a_100011218688_100009812202 [0,1,0,0,0,0|3,0,0]=4 863 B20R3.14372 Ic1cccc(c1)CSc2csc3c2cccc3 62a_100011218688_100009813928 [0,1,0,0,0,0|3,0,0]=4 864 B20R3.14372 Ic1cccc(c1)CSc2n[nH]c3c2cccc3 62a_100011218688_100000050141 [0,1,0,0,0,0|3,0,0]=4 865 B20R3.14372 Ic1cccc(c1)NCc2c[nH]c3c2cccn3 270302a_100000211102_100000187067 [0,1,0,0,0,0|3,0,0]=4 866 B20R3.14372 Ic1cccc(c1)NCc2c[nH]c3c2nccc3 270302a_100000211102_100000133833 [0,1,0,0,0,0|3,0,0]=4 867 B20R3.14372 Ic1cccc(c1)NCc2coc3c2cccc3 207a_100000211102_100000688544 [0,1,0,0,0,0|3,0,0]=4 868 B20R3.14372 Ic1cccc(c1)NCc2coc3c2cccc3 270302a_100000211102_100000688544 [0,1,0,0,0,0|3,0,0]=4 869 B20R3.14372 Ic1cccc(c1)NCc2csc3c2cccc3 207a_100000211102_100000239721 [0,1,0,0,0,0|3,0,0]=4 870 B20R3.14372 Ic1cccc(c1)NCc2csc3c2cccc3 270302a_100000211102_100000239721 [0,1,0,0,0,0|3,0,0]=4 871 B20R3.14372 Ic1cccc(c1)NCc2csc3c2cccc3 34a_100000211102_200000742921 [0,1,0,0,0,0|3,0,0]=4 872 B20R3.14372 Ic1cccc(c1)NCc2n[nH]c3c2cccc3 207a_100000211102_100000059708 [0,1,0,0,0,0|3,0,0]=4 873 B20R3.14372 Ic1cccc(c1)NCc2n[nH]c3c2cccc3 270302a_100000211102_100000059708 [0,1,0,0,0,0|3,0,0]=4 874 B20R3.14372 Ic1cccc(c1)OCc2csc3c2cccc3 34a_100000211634_200000742921 [0,1,0,0,0,0|3,0,0]=4 875 B20R3.14372 Nc1cc(ccn1)OCc2csc3c2cccc3 34a_100011834064_200000742921 [0,1,0,0,0,0|2,0,0]=3 876 B20R3.14372 Nc1cc(ccn1)OCc2noc3c2cccc3 34a_100011834064_100009813815 [0,1,0,0,0,0|3,0,0]=4 877 B20R3.14372 Nc1cc(ccn1)SCc2csc3c2cccc3 62a_100000049665_200000742921 [0,1,0,0,0,0|2,0,0]=3 878 B20R3.14372 Nc1cc(ccn1)SCc2csc3c2cccc3 62a_200000742921_100000049665 [0,1,0,0,0,0|2,0,0]=3 879 B20R3.14372 Nc1cc(ccn1)SCc2noc3c2cccc3 62a_100000049665_100009813815 [0,1,0,0,0,0|3,0,0]=4 880 B20R3.14372 Nc1cc(ccn1)SCc2noc3c2cccc3 62a_100009813815_100000049665 [0,1,0,0,0,0|3,0,0]=4 881 B20R3.14372 Nc1cc(cnn1)OCc2csc3c2cccc3 34a_200015193112_200000742921 [0,1,0,0,0,0|3,0,0]=4 882 B20R3.14372 Nc1cc(cnn1)SCc2csc3c2cccc3 62a_100000130277_200000742921 [0,1,0,0,0,0|3,0,0]=4 883 B20R3.14372 Nc1cc(cnn1)SCc2csc3c2cccc3 62a_200000742921_100000130277 [0,1,0,0,0,0|3,0,0]=4 884 B20R3.14372 Nc1cc(ncn1)NCc2csc3c2cccc3 27a_100000744611_100000701291 [0,1,0,0,0,0|3,0,0]=4 885 B20R3.14372 Nc1cc(ncn1)SCc2csc3c2cccc3 62a_100000701291_200000742921 [0,1,0,0,0,0|3,0,0]=4 886 B20R3.14372 Nc1cc(ncn1)SCc2csc3c2cccc3 62a_200000742921_100000701291 [0,1,0,0,0,0|3,0,0]=4 887 B20R3.14372 Nc1cccc(c1)OCc2csc3c2cccc3 34a_100000210217_200000742921 [0,1,0,0,0,0|3,0,0]=4 888 B20R3.14372 Nc1cccc(c1)SCc2csc3c2cccc3 62a_100000210019_200000742921 [0,1,0,0,0,0|3,0,0]=4 889 B20R3.14372 Nc1cccc(c1)SCc2csc3c2cccc3 62a_200000742921_100000210019 [0,1,0,0,0,0|3,0,0]=4 890 B20R3.14372 Nc1nccc(n1)NCc2csc3c2cccc3 27a_100000744611_100000055538 [0,1,0,0,0,0|3,0,0]=4 891 B20R3.14372 Nc1nccc(n1)SCc2csc3c2cccc3 62a_100000055538_200000742921 [0,1,0,0,0,0|3,0,0]=4 892 B20R3.14372 Nc1nccc(n1)SCc2csc3c2cccc3 62a_200000742921_100000055538 [0,1,0,0,0,0|3,0,0]=4 893 B20R3.14372 O=c1cc(cc[nH]1)NCc2csc3c2cccc3 27a_100000744611_100000061649 [0,1,0,0,0,0|2,0,1]=4 894 B20R3.14372 O=c1cc(cc[nH]1)OCc2csc3c2cccc3 34a_100000032262_200000742921 [0,1,0,0,0,0|2,0,1]=4 895 B20R3.14372 O=c1cc(cc[nH]1)SCc2csc3c2cccc3 62a_100009816521_200000742921 [0,1,0,0,0,0|2,0,1]=4 896 B20R3.14372 O=c1cc(cc[nH]1)SCc2csc3c2cccc3 62a_200000742921_100009816521 [0,1,0,0,0,0|2,0,1]=4 897 B20R3.14372 Oc1cc(ccn1)CNc2n[nH]c3c2cccn3 27a_100000748557_100009818534 [0,1,0,0,0,0|3,0,0]=4 898 B20R3.14372 Oc1cc(ccn1)CNc2n[nH]c3c2cncc3 27a_100000748557_100009820117 [0,1,0,0,0,0|3,0,0]=4 899 B20R3.14372 Oc1cc(ccn1)CNc2n[nH]c3c2nccc3 27a_100000748557_100009817118 [0,1,0,0,0,0|3,0,0]=4 900 B20R3.14372 Oc1cc(ncn1)NCc2csc3c2cccc3 27a_100000744611_100000765262 [0,1,0,0,0,0|3,0,0]=4 901 B20R3.14372 Oc1cc(ncn1)SCc2csc3c2cccc3 62a_200000742921_100000765262 [0,1,0,0,0,0|3,0,0]=4 902 B20R3.14372 Oc1cccc(c1)COc2csc3c2cccc3 34a_100000077758_100011660834 [0,1,0,0,0,0|3,0,0]=4 903 B20R3.14372 Oc1cccc(c1)COc2csc3c2cccc3 7a_100000077758_100000084143 [0,1,0,0,0,0|3,0,0]=4 904 B20R3.14372 Oc1cccc(c1)CSc2c[nH]c3c2cccn3 62a_100011660834_100011934613 [0,1,0,0,0,0|3,0,0]=4 905 B20R3.14372 Oc1cccc(c1)CSc2c[nH]c3c2ccnc3 62a_100011660834_100010232032 [0,1,0,0,0,0|3,0,0]=4 906 B20R3.14372 Oc1cccc(c1)CSc2c[nH]c3c2cncc3 62a_100011660834_100000753697 [0,1,0,0,0,0|3,0,0]=4 907 B20R3.14372 Oc1cccc(c1)CSc2c[nH]c3c2nccc3 62a_100011660834_100009817151 [0,1,0,0,0,0|3,0,0]=4 908 B20R3.14372 Oc1cccc(c1)CSc2coc3c2cccc3 62a_100011660834_100009812202 [0,1,0,0,0,0|3,0,0]=4 909 B20R3.14372 Oc1cccc(c1)CSc2csc3c2cccc3 62a_100011660834_100009813928 [0,1,0,0,0,0|3,0,0]=4 910 B20R3.14372 Oc1cccc(c1)CSc2n[nH]c3c2cccc3 62a_100011660834_100000050141 [0,1,0,0,0,0|3,0,0]=4 911 B20R3.14372 Oc1cccc(c1)NCc2c[nH]c3c2cccn3 270302a_100000210217_100000187067 [0,1,0,0,0,0|3,0,0]=4 912 B20R3.14372 Oc1cccc(c1)NCc2c[nH]c3c2nccc3 270302a_100000210217_100000133833 [0,1,0,0,0,0|3,0,0]=4 913 B20R3.14372 Oc1cccc(c1)NCc2coc3c2cccc3 270302a_100000210217_100000688544 [0,1,0,0,0,0|3,0,0]=4 914 B20R3.14372 Oc1cccc(c1)NCc2csc3c2cccc3 270302a_100000210217_100000239721 [0,1,0,0,0,0|3,0,0]=4 915 B20R3.14372 Oc1cccc(c1)NCc2csc3c2cccc3 34a_100000210217_200000742921 [0,1,0,0,0,0|3,0,0]=4 916 B20R3.14372 Oc1cccc(c1)NCc2n[nH]c3c2cccc3 270302a_100000210217_100000059708 [0,1,0,0,0,0|3,0,0]=4 917 B20R3.14372 Oc1cccc(c1)SCc2csc3c2cccc3 62a_200000742921_100000211634 [0,1,0,0,0,0|3,0,0]=4 918 B20R3.14372 [S]c1cccc(c1)SCc2csc3c2cccc3 62a_114929384022_200000742921 [0,1,0,0,0,0|3,0,0]=4 919 B20R3.14372 [S]c1cccc(c1)SCc2csc3c2cccc3 62a_200000742921_114929384022 [0,1,0,0,0,0|3,0,0]=4 920 B20R3.148628 Brc1cc2c(n[nH]c2cn1)SCc3ccncc3 62a_100010296430_100015193705 [0,1,0,0,0,0|3,0,0]=4 921 B20R3.148628 Brc1cc2c(n[nH]c2cn1)SCc3ccncc3 62a_100015193705_100010296430 [0,1,0,0,0,0|3,0,0]=4 922 B20R3.148628 Brc1ccc2[nH]cc(c2n1)SCc3ccccc3 62a_100000211182_100010168532 [0,1,0,0,0,0|3,0,0]=4 923 B20R3.148628 Brc1ccc2[nH]cc(c2n1)SCc3ccccc3 62a_100010168532_100015291786 [0,1,0,0,0,0|3,0,0]=4 924 B20R3.148628 Brc1ccc2[nH]cc(c2n1)SCc3ccncc3 62a_100010168532_100015193705 [0,1,0,0,0,0|2,0,0]=3 925 B20R3.148628 Brc1ccc2[nH]cc(c2n1)SCc3ccncc3 62a_100015193705_100010168532 [0,1,0,0,0,0|2,0,0]=3 926 B20R3.148628 Brc1ccc2[nH]nc(c2c1)CNc3ccccc3 207a_100000106764_100009888965 [0,1,0,0,0,0|3,0,0]=4 927 B20R3.148628 Brc1ccc2[nH]nc(c2c1)CNc3ccccc3 270302a_100000106764_100009888965 [0,1,0,0,0,0|3,0,0]=4 928 B20R3.148628 Brc1ccc2[nH]nc(c2c1)SCc3ccccc3 62a_100000211182_100010186058 [0,1,0,0,0,0|3,0,0]=4 929 B20R3.148628 Brc1ccc2[nH]nc(c2c1)SCc3ccncc3 62a_100015193705_100010186058 [0,1,0,0,0,0|2,0,0]=3 930 B20R3.148628 Brc1ccc2[nH]nc(c2n1)SCc3ccncc3 62a_100015193705_200010370904 [0,1,0,0,0,0|3,0,0]=4 931 B20R3.148628 Brc1ccc2ncc(n2c1)SCc3ccncc3 62a_100012343615_100015193705 [0,1,0,0,0,0|2,0,1]=4 932 B20R3.148628 Brc1ccc2ncc(n2c1)SCc3ccncc3 62a_100015193705_100012343615 [0,1,0,0,0,0|2,0,1]=4 933 B20R3.148628 Brc1ccc2scc(c2c1)CNc3ccccc3 207a_100000106764_100009814807 [0,1,0,0,0,0|3,0,0]=4 934 B20R3.148628 Brc1ccc2scc(c2c1)CNc3ccccc3 270302a_100000106764_100009814807 [0,1,0,0,0,0|3,0,0]=4 935 B20R3.148628 Brc1ccn2ncc(c2c1)SCc3ccncc3 62a_100015193705_100015721393 [0,1,0,0,0,0|2,0,1]=4 936 B20R3.148628 Brc1ccn2ncc(c2c1)SCc3ccncc3 62a_100015721393_100015193705 [0,1,0,0,0,0|2,0,1]=4 937 B20R3.148628 Brc1cnc2[nH]cc(c2c1)SCc3ccccc3 62a_100000211182_100011290788 [0,1,0,0,0,0|3,0,0]=4 938 B20R3.148628 Brc1cnc2[nH]cc(c2c1)SCc3ccccc3 62a_100011290788_100015291786 [0,1,0,0,0,0|3,0,0]=4 939 B20R3.148628 Brc1cnc2[nH]cc(c2c1)SCc3ccncc3 62a_100011290788_100015193705 [0,1,0,0,0,0|2,0,0]=3 940 B20R3.148628 Brc1cnc2[nH]cc(c2c1)SCc3ccncc3 62a_100015193705_100011290788 [0,1,0,0,0,0|2,0,0]=3 941 B20R3.148628 Brc1cnc2[nH]cc(c2n1)SCc3ccncc3 62a_100010212349_100015193705 [0,1,0,0,0,0|3,0,0]=4 942 B20R3.148628 Brc1cnc2[nH]cc(c2n1)SCc3ccncc3 62a_100015193705_100010212349 [0,1,0,0,0,0|3,0,0]=4 943 B20R3.148628 Brc1cnc2[nH]nc(c2c1)SCc3ccncc3 62a_100010212350_100015193705 [0,1,0,0,0,0|3,0,0]=4 944 B20R3.148628 Brc1cnc2[nH]nc(c2c1)SCc3ccncc3 62a_100015193705_100010212350 [0,1,0,0,0,0|3,0,0]=4 945 B20R3.148628 Cc1ccc2[nH]cc(c2n1)SCc3ccccc3 62a_100000211182_100010212567 [0,1,0,0,0,0|3,0,0]=4 946 B20R3.148628 Cc1ccc2[nH]cc(c2n1)SCc3ccncc3 62a_100015193705_100010212567 [0,1,0,0,0,0|2,0,0]=3 947 B20R3.148628 Cc1ccc2[nH]nc(c2c1)CNc3ccccc3 207a_100000106764_100000050950 [0,1,0,0,0,0|3,0,0]=4 948 B20R3.148628 Cc1ccc2[nH]nc(c2c1)SCc3ccccc3 62a_100000211182_100000123028 [0,1,0,0,0,0|3,0,0]=4 949 B20R3.148628 Cc1ccc2[nH]nc(c2c1)SCc3ccncc3 62a_100015193705_100000123028 [0,1,0,0,0,0|2,0,0]=3 950 B20R3.148628 Cc1ccc2ncc(n2c1)SCc3ccncc3 62a_100015193705_100012351729 [0,1,0,0,0,0|2,0,1]=4 951 B20R3.148628 Cc1cnc2[nH]cc(c2c1)SCc3ccccc3 62a_100000211182_100010246215 [0,1,0,0,0,0|3,0,0]=4 952 B20R3.148628 Cc1cnc2[nH]cc(c2c1)SCc3ccncc3 62a_100015193705_100010246215 [0,1,0,0,0,0|2,0,0]=3 953 B20R3.148628 Clc1cc2c(c[nH]c2cn1)SCc3ccccc3 62a_100000211182_100010168685 [0,1,0,0,0,0|3,0,0]=4 954 B20R3.148628 Clc1cc2c(c[nH]c2cn1)SCc3ccncc3 62a_100015193705_100010168685 [0,1,0,0,0,0|2,0,0]=3 955 B20R3.148628 Clc1cc2c(c[nH]c2nn1)SCc3ccncc3 62a_100015193705_100161115472 [0,1,0,0,0,0|3,0,0]=4 956 B20R3.148628 Clc1cc2c(n[nH]c2cn1)SCc3ccncc3 62a_100015193705_100010134363 [0,1,0,0,0,0|3,0,0]=4 957 B20R3.148628 Clc1ccc2[nH]cc(c2n1)SCc3ccccc3 62a_100000211182_100010168529 [0,1,0,0,0,0|3,0,0]=4 958 B20R3.148628 Clc1ccc2[nH]cc(c2n1)SCc3ccncc3 62a_100015193705_100010168529 [0,1,0,0,0,0|2,0,0]=3 959 B20R3.148628 Clc1ccc2[nH]nc(c2c1)CNc3ccccc3 207a_100000106764_100000086617 [0,1,0,0,0,0|3,0,0]=4 960 B20R3.148628 Clc1ccc2[nH]nc(c2c1)SCc3ccccc3 62a_100000211182_100010174404 [0,1,0,0,0,0|3,0,0]=4 961 B20R3.148628 Clc1ccc2[nH]nc(c2c1)SCc3ccncc3 62a_100015193705_100010174404 [0,1,0,0,0,0|2,0,0]=3 962 B20R3.148628 Clc1ccc2[nH]nc(c2n1)SCc3ccncc3 62a_100015193705_100102525187 [0,1,0,0,0,0|3,0,0]=4 963 B20R3.148628 Clc1ccc2ncc(n2c1)SCc3ccncc3 62a_100015193705_200012351726 [0,1,0,0,0,0|2,0,1]=4 964 B20R3.148628 Clc1ccc2ncc(n2c1)SCc3ccncc3 62a_200012351726_100015193705 [0,1,0,0,0,0|2,0,1]=4 965 B20R3.148628 Clc1ccc2scc(c2c1)CNc3ccccc3 207a_100000106764_100000040578 [0,1,0,0,0,0|3,0,0]=4 966 B20R3.148628 Clc1ccc2scc(c2c1)CNc3ccccc3 270302a_100000106764_100000040578 [0,1,0,0,0,0|3,0,0]=4 967 B20R3.148628 Clc1ccc2scc(c2c1)CNc3ccccc3 34a_100000106764_100009814428 [0,1,0,0,0,0|3,0,0]=4 968 B20R3.148628 Clc1ccc2scc(c2c1)COc3ccccc3 34a_100000210340_100009814428 [0,1,0,0,0,0|3,0,0]=4 969 B20R3.148628 Clc1ccc2scc(c2c1)COc3ccccc3 7a_100000210340_100009814428 [0,1,0,0,0,0|3,0,0]=4 970 B20R3.148628 Clc1ccc2scc(c2c1)COc3ccncc3 34a_100000212176_100009814428 [0,1,0,0,0,0|2,0,0]=3 971 B20R3.148628 Clc1ccc2scc(c2c1)COc3ccnnc3 34a_100015204005_100009814428 [0,1,0,0,0,0|3,0,0]=4 972 B20R3.148628 Clc1ccc2scc(c2c1)CSc3ccccc3 62a_100000719477_100009814428 [0,1,0,0,0,0|3,0,0]=4 973 B20R3.148628 Clc1ccc2scc(c2c1)CSc3ccccc3 62a_100009814428_100000041952 [0,1,0,0,0,0|3,0,0]=4 974 B20R3.148628 Clc1ccc2scc(c2c1)CSc3ccncc3 62a_100000728582_100009814428 [0,1,0,0,0,0|2,0,0]=3 975 B20R3.148628 Clc1ccc2scc(c2c1)CSc3ccncc3 62a_100009814428_100000728582 [0,1,0,0,0,0|2,0,0]=3 976 B20R3.148628 Clc1ccc2scc(c2c1)CSc3ccncn3 62a_100000703185_100009814428 [0,1,0,0,0,0|3,0,0]=4 977 B20R3.148628 Clc1ccc2scc(c2c1)CSc3ccncn3 62a_100009814428_100000703185 [0,1,0,0,0,0|3,0,0]=4 978 B20R3.148628 Clc1ccc2scc(c2c1)CSc3ccnnc3 62a_100000732662_100009814428 [0,1,0,0,0,0|3,0,0]=4 979 B20R3.148628 Clc1ccc2scc(c2c1)CSc3ccnnc3 62a_100009814428_100000732662 [0,1,0,0,0,0|3,0,0]=4 980 B20R3.148628 Clc1cnc2[nH]cc(c2c1)SCc3ccccc3 62a_100000211182_100000050100 [0,1,0,0,0,0|3,0,0]=4 981 B20R3.148628 Clc1cnc2[nH]cc(c2c1)SCc3ccncc3 62a_100015193705_100000050100 [0,1,0,0,0,0|2,0,0]=3 982 B20R3.148628 Clc1cnc2[nH]nc(c2c1)SCc3ccncc3 62a_100015193705_100010289580 [0,1,0,0,0,0|3,0,0]=4 983 B20R3.148628 Fc1ccc2[nH]nc(c2c1)CNc3ccccc3 207a_100000106764_100000084349 [0,1,0,0,0,0|3,0,0]=4 984 B20R3.148628 Fc1ccc2[nH]nc(c2c1)SCc3ccccc3 62a_100000211182_100011934747 [0,1,0,0,0,0|3,0,0]=4 985 B20R3.148628 Fc1ccc2[nH]nc(c2c1)SCc3ccncc3 62a_100015193705_100011934747 [0,1,0,0,0,0|2,0,0]=3 986 B20R3.148628 Fc1ccc2ncc(n2c1)SCc3ccncc3 62a_100012350704_100015193705 [0,1,0,0,0,0|2,0,1]=4 987 B20R3.148628 Fc1ccc2ncc(n2c1)SCc3ccncc3 62a_100015193705_100012350704 [0,1,0,0,0,0|2,0,1]=4 988 B20R3.148628 Fc1ccc2scc(c2c1)CNc3ccccc3 34a_100000106764_100010109839 [0,1,0,0,0,0|3,0,0]=4 989 B20R3.148628 Fc1ccc2scc(c2c1)COc3ccccc3 34a_100000210340_100010109839 [0,1,0,0,0,0|3,0,0]=4 990 B20R3.148628 Fc1ccc2scc(c2c1)COc3ccccc3 7a_100000210340_100010109839 [0,1,0,0,0,0|3,0,0]=4 991 B20R3.148628 Fc1ccc2scc(c2c1)COc3ccncc3 34a_100000212176_100010109839 [0,1,0,0,0,0|2,0,0]=3 992 B20R3.148628 Fc1ccc2scc(c2c1)COc3ccnnc3 34a_100015204005_100010109839 [0,1,0,0,0,0|3,0,0]=4 993 B20R3.148628 Fc1ccc2scc(c2c1)CSc3ccccc3 62a_100000719477_100010109839 [0,1,0,0,0,0|3,0,0]=4 994 B20R3.148628 Fc1ccc2scc(c2c1)CSc3ccccc3 62a_100010109839_100000041952 [0,1,0,0,0,0|3,0,0]=4 995 B20R3.148628 Fc1ccc2scc(c2c1)CSc3ccncc3 62a_100000728582_100010109839 [0,1,0,0,0,0|2,0,0]=3 996 B20R3.148628 Fc1ccc2scc(c2c1)CSc3ccncc3 62a_100010109839_100000728582 [0,1,0,0,0,0|2,0,0]=3 997 B20R3.148628 Fc1ccc2scc(c2c1)CSc3ccncn3 62a_100000703185_100010109839 [0,1,0,0,0,0|3,0,0]=4 998 B20R3.148628 Fc1ccc2scc(c2c1)CSc3ccncn3 62a_100010109839_100000703185 [0,1,0,0,0,0|3,0,0]=4 999 B20R3.148628 Fc1ccc2scc(c2c1)CSc3ccnnc3 62a_100000732662_100010109839 [0,1,0,0,0,0|3,0,0]=4 1000 B20R3.148628 Fc1ccc2scc(c2c1)CSc3ccnnc3 62a_100010109839_100000732662 [0,1,0,0,0,0|3,0,0]=4 1001 B20R3.148628 Fc1cnc2[nH]cc(c2c1)SCc3ccccc3 62a_100000211182_100010168383 [0,1,0,0,0,0|3,0,0]=4 1002 B20R3.148628 Fc1cnc2[nH]cc(c2c1)SCc3ccncc3 62a_100015193705_100010168383 [0,1,0,0,0,0|2,0,0]=3 1003 B20R3.148628 Fc1cnc2[nH]nc(c2c1)SCc3ccncc3 62a_100015193705_100010289577 [0,1,0,0,0,0|3,0,0]=4 1004 B20R3.148628 Nc1ccc2[nH]nc(c2c1)SCc3ccccc3 62a_100000211182_100012353729 [0,1,0,0,0,0|3,0,0]=4 1005 B20R3.148628 Nc1ccc2[nH]nc(c2c1)SCc3ccncc3 62a_100015193705_100012353729 [0,1,0,0,0,0|2,0,0]=3 1006 B20R3.148628 Nc1ccc2ncc(n2c1)SCc3ccncc3 62a_100015193705_102495324787 [0,1,0,0,0,0|2,0,1]=4 1007 B20R3.148628 Nc1ccc2ncc(n2c1)SCc3ccncc3 62a_102495324787_100015193705 [0,1,0,0,0,0|2,0,1]=4 1008 B20R3.148628 Nc1ccc2scc(c2c1)SCc3ccccc3 62a_100000211182_100011178648 [0,1,0,0,0,0|3,0,0]=4 1009 B20R3.148628 Nc1ccc2scc(c2c1)SCc3ccccc3 62a_100011178648_100015291786 [0,1,0,0,0,0|3,0,0]=4 1010 B20R3.148628 Nc1ccc2scc(c2c1)SCc3ccncc3 62a_100011178648_100015193705 [0,1,0,0,0,0|2,0,0]=3 1011 B20R3.148628 Nc1ccc2scc(c2c1)SCc3ccncc3 62a_100015193705_100011178648 [0,1,0,0,0,0|2,0,0]=3 1012 B20R3.148628 Nc1cnc2[nH]cc(c2c1)SCc3ccccc3 62a_100000211182_100010168510 [0,1,0,0,0,0|3,0,0]=4 1013 B20R3.148628 Nc1cnc2[nH]cc(c2c1)SCc3ccncc3 62a_100015193705_100010168510 [0,1,0,0,0,0|2,0,0]=3 1014 B20R3.148628 Nc1cnc2[nH]nc(c2c1)SCc3ccncc3 62a_100015193705_100010174952 [0,1,0,0,0,0|3,0,0]=4 1015 B20R3.251501 Brc1cccc2c1c(n[nH]2)SCc3ccccc3 62a_100000211182_100010186043 [0,1,0,0,0,0|3,0,0]=4 1016 B20R3.251501 Brc1cccc2c1c(n[nH]2)SCc3ccncc3 62a_100015193705_100010186043 [0,1,0,0,0,0|2,0,0]=3 1017 B20R3.251501 Brc1ccnc2c1c(c[nH]2)SCc3ccccc3 62a_100000211182_100010212587 [0,1,0,0,0,0|3,0,0]=4 1018 B20R3.251501 Brc1ccnc2c1c(c[nH]2)SCc3ccccc3 62a_100010212587_100015291786 [0,1,0,0,0,0|3,0,0]=4 1019 B20R3.251501 Brc1ccnc2c1c(c[nH]2)SCc3ccncc3 62a_100010212587_100015193705 [0,1,0,0,0,0|2,0,0]=3 1020 B20R3.251501 Brc1ccnc2c1c(c[nH]2)SCc3ccncc3 62a_100015193705_100010212587 [0,1,0,0,0,0|2,0,0]=3 1021 B20R3.251501 Brc1nccc2c1c(n[nH]2)SCc3ccncc3 62a_100010370910_100015193705 [0,1,0,0,0,0|3,0,0]=4 1022 B20R3.251501 Brc1nccc2c1c(n[nH]2)SCc3ccncc3 62a_100015193705_100010370910 [0,1,0,0,0,0|3,0,0]=4 1023 B20R3.251501 Cc1cccc2c1c(n[nH]2)SCc3ccccc3 62a_100000211182_100000049903 [0,1,0,0,0,0|3,0,0]=4 1024 B20R3.251501 Cc1cccc2c1c(n[nH]2)SCc3ccncc3 62a_100015193705_100000049903 [0,1,0,0,0,0|2,0,0]=3 1025 B20R3.251501 Cc1cccc2n1c(cn2)SCc3ccncc3 62a_100015193705_100012566946 [0,1,0,0,0,0|2,0,1]=4 1026 B20R3.251501 Clc1cccc2c1c(n[nH]2)SCc3ccccc3 62a_100000211182_100000049730 [0,1,0,0,0,0|3,0,0]=4 1027 B20R3.251501 Clc1cccc2c1c(n[nH]2)SCc3ccncc3 62a_100015193705_100000049730 [0,1,0,0,0,0|2,0,0]=3 1028 B20R3.251501 Clc1ccnc2c1c(c[nH]2)SCc3ccccc3 62a_100000211182_100011356983 [0,1,0,0,0,0|3,0,0]=4 1029 B20R3.251501 Clc1ccnc2c1c(c[nH]2)SCc3ccncc3 62a_100015193705_100011356983 [0,1,0,0,0,0|2,0,0]=3 1030 B20R3.251501 Clc1ccnc2c1c(n[nH]2)SCc3ccncc3 62a_100015193705_100010090772 [0,1,0,0,0,0|3,0,0]=4 1031 B20R3.251501 Clc1nccc2c1c(n[nH]2)SCc3ccncc3 62a_100015193705_100010080173 [0,1,0,0,0,0|3,0,0]=4 1032 B20R3.251501 Clc1ncnc2c1c(c[nH]2)SCc3ccncc3 62a_100015193705_100000062014 [0,1,0,0,0,0|3,0,0]=4 1033 B20R3.251501 Fc1cccc2c1c(n[nH]2)SCc3ccccc3 62a_100000211182_100000049989 [0,1,0,0,0,0|3,0,0]=4 1034 B20R3.251501 Fc1cccc2c1c(n[nH]2)SCc3ccncc3 62a_100015193705_100000049989 [0,1,0,0,0,0|2,0,0]=3 1035 B20R3.251501 Fc1ccnc2c1c(c[nH]2)SCc3ccccc3 62a_100000211182_100010168365 [0,1,0,0,0,0|3,0,0]=4 1036 B20R3.251501 Fc1ccnc2c1c(c[nH]2)SCc3ccncc3 62a_100015193705_100010168365 [0,1,0,0,0,0|2,0,0]=3 1037 B20R3.251501 Nc1cccc2c1c(n[nH]2)SCc3ccccc3 62a_100000211182_100010186038 [0,1,0,0,0,0|3,0,0]=4 1038 B20R3.251501 Nc1cccc2c1c(n[nH]2)SCc3ccncc3 62a_100015193705_100010186038 [0,1,0,0,0,0|2,0,0]=3 1039 B20R3.251501 Nc1nccc2c1c(co2)SCc3ccncc3 62a_100015193705_200010135222 [0,1,0,0,0,0|3,0,0]=4 1040 B20R3.251501 Nc1nccc2c1c(co2)SCc3ccncc3 62a_200010135222_100015193705 [0,1,0,0,0,0|3,0,0]=4 1041 B20R3.251501 Nc1nccc2c1c(cs2)SCc3ccncc3 62a_200010188537_100015193705 [0,1,0,0,0,0|3,0,0]=4 1042 B20R3.251501 Nc1ncnc2c1c(c[nH]2)SCc3ccncc3 62a_100010179808_100015193705 [0,1,0,0,0,0|3,0,0]=4 1043 B20R3.251501 Nc1ncnc2c1c(c[nH]2)SCc3ccncc3 62a_100015193705_100010179808 [0,1,0,0,0,0|3,0,0]=4 1044 B20R3.251501 O=c1[nH]cnc2c1c(c[nH]2)SCc3ccncc3 62a_100015193705_100010220714 [0,1,0,0,0,0|3,0,0]=4 1045 B20R3.3470528 Cn1cc(c2c1cccc2)CNc3ccncn3 27a_100011997738_100000703185 [0,1,0,0,0,0|2,0,0]=3 1046 B20R3.3470528 Cn1cc(c2c1nccc2)SCc3ccccc3 62a_100000211182_100010205794 [0,1,0,0,0,0|3,0,0]=4 1047 B20R3.3470528 Cn1cc(c2c1nccc2)SCc3ccncc3 62a_100015193705_100010205794 [0,1,0,0,0,0|2,0,0]=3 1048 B20R3.3470528 Cn1cc(c2c1ncnc2)NCc3ccncc3 27a_100000210450_200011012545 [0,1,0,0,0,0|3,0,0]=4 1049 B20R3.3470528 Cn1cc(c2c1ncnc2)SCc3ccncc3 62a_100015193705_200011012545 [0,1,0,0,0,0|3,0,0]=4 1050 B20R3.3470528 Cn1cc(c2c1ncnc2)SCc3ccncc3 62a_200011012545_100015193705 [0,1,0,0,0,0|3,0,0]=4 1051 B20R3.3470528 Cn1nc(c2c1cccc2)CNc3ccccc3 207a_100000106764_100011361492 [0,1,0,0,0,0|3,0,0]=4 1052 B20R3.3470528 Cn1nc(c2c1cccc2)CNc3ccccc3 270302a_100000106764_100011361492 [0,1,0,0,0,0|3,0,0]=4 1053 B20R3.3470528 Cn1nc(c2c1cccc2)CNc3ccncn3 27a_200011934655_100000703185 [0,1,0,0,0,0|3,0,0]=4 1054 B20R3.3470528 Cn1nc(c2c1cccc2)SCc3ccccc3 62a_100000211182_100009817141 [0,1,0,0,0,0|3,0,0]=4 1055 B20R3.3470528 Cn1nc(c2c1cccc2)SCc3ccccc3 62a_100009817141_100015291786 [0,1,0,0,0,0|3,0,0]=4 1056 B20R3.3470528 Cn1nc(c2c1cccc2)SCc3ccncc3 62a_100009817141_100015193705 [0,1,0,0,0,0|2,0,0]=3 1057 B20R3.3470528 Cn1nc(c2c1cccc2)SCc3ccncc3 62a_100015193705_100009817141 [0,1,0,0,0,0|2,0,0]=3 1058 B20R3.3470528 Cn1nc(c2c1cccn2)SCc3ccncc3 62a_100015193705_100000761950 [0,1,0,0,0,0|3,0,0]=4 1059 B20R3.3470528 Cn1nc(c2c1nccc2)NCc3ccncc3 27a_100000210450_100010248644 [0,1,0,0,0,0|3,0,0]=4 1060 B20R3.3470528 Cn1nc(c2c1nccc2)SCc3ccncc3 62a_100010248644_100015193705 [0,1,0,0,0,0|3,0,0]=4 1061 B20R3.3470528 Cn1nc(c2c1nccc2)SCc3ccncc3 62a_100015193705_100010248644 [0,1,0,0,0,0|3,0,0]=4 1062 B18R2.10 C=CC=CC(=O)CCc1c[nH]c2c1cccc2 1458a_100016291481_100011218569 [0,0,1,0,0,0|2,0,0]=3 1063 B18R2.10 C=CC=CC(=O)CCc1c[nH]c2c1cccn2 1458a_100016291481_100009895007 [0,0,1,0,0,0|3,0,0]=4 1064 B18R2.10 CCC=CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000212282_100011218569 [0,0,1,0,0,0|2,0,1]=4 1065 B18R2.10 COC=CC(=O)CCc1c[nH]c2c1cccc2 1458a_100016268678_100011218569 [0,0,1,0,0,0|2,0,1]=4 1066 B18R2.445 C#Cc1ccccc1OCCc2ccncc2 7a_200011470546_100000723409 [0,0,1,0,0,0|2,0,1]=4 1067 B18R2.445 C=Cc1ccccc1C=NNc2ccncc2 4a_100000698918_200011996377 [0,0,1,0,0,0|3,0,0]=4 1068 B18R2.445 C=Cc1ccccc1COCc2ccncc2 7a_200010883148_100015193705 [0,0,1,0,0,0|2,0,1]=4 1069 B18R2.445 C=Cc1ccccc1NCCc2ccccc2 34a_100012022501_100000765856 [0,0,1,0,0,0|3,0,0]=4 1070 B18R2.445 C=Cc1ccccc1SCCc2ccccc2 62a_100000765856_100011218376 [0,0,1,0,0,0|3,0,0]=4 1071 B18R2.445 C=Cc1ccccc1SCCc2ccccc2 62a_100011218376_100011218657 [0,0,1,0,0,0|3,0,0]=4 1072 B18R2.445 C=Cc1ccccc1SCCc2ccncc2 62a_100000723409_100011218376 [0,0,1,0,0,0|2,0,0]=3 1073 B18R2.445 C=Cc1ccccc1SCCc2ccncc2 62a_100011218376_100000723409 [0,0,1,0,0,0|2,0,0]=3 1074 B18R2.445 CCc1ccccc1NCCc2ccncc2 2230a_100000212081_100000723409 [0,0,1,0,0,0|2,0,1]=4 1075 B18R2.445 CCc1ccccc1NCCc2ccncc2 7a_100000212081_100000723409 [0,0,1,0,0,0|2,0,1]=4 1076 B18R2.445 CCc1ccccc1OCCc2ccncc2 7a_100000210936_100000723409 [0,0,1,0,0,0|2,0,1]=4 1077 B18R2.445 CCc1ccccc1SCCc2ccncc2 62a_100000723409_100011215823 [0,0,1,0,0,0|2,0,1]=4 1078 B18R2.445 CCc1ccccc1SCCc2ccncc2 62a_100011215823_100000723409 [0,0,1,0,0,0|2,0,1]=4 1079 B18R2.445 CNc1ccccc1C=CCc2ccccc2 271570a_200016263579_100020606079 [0,0,1,0,0,0|1,0,2]=4 1080 B18R2.445 CNc1ccccc1OCCc2ccccc2 34a_100000033821_100000765856 [0,0,1,0,0,0|2,0,1]=4 1081 B18R2.445 CNc1ccccc1SCCc2ccccc2 62a_100000765856_100020606079 [0,0,1,0,0,0|2,0,1]=4 1082 B18R2.445 CNc1ccccc1SCCc2ccccc2 62a_100020606079_100011218657 [0,0,1,0,0,0|2,0,1]=4 1083 B18R2.445 CNc1ccccc1SCCc2ccncc2 62a_100000723409_100020606079 [0,0,1,0,0,0|1,0,1]=3 1084 B18R2.445 CNc1ccccc1SCCc2ccncc2 62a_100020606079_100000723409 [0,0,1,0,0,0|1,0,1]=3 1085 B18R2.445 CNc1cccnc1SCCc2ccncc2 62a_100000723409_200011806188 [0,0,1,0,0,0|2,0,1]=4 1086 B18R2.445 CNc1ccncc1SCCc2ccncc2 62a_100000723409_100010069531 [0,0,1,0,0,0|2,0,1]=4 1087 B18R2.445 CNc1ccncc1SCCc2ccncc2 62a_100010069531_100000723409 [0,0,1,0,0,0|2,0,1]=4 1088 B18R2.445 CNc1ncccc1SCCc2ccncc2 62a_100000700899_100000723409 [0,0,1,0,0,0|2,0,1]=4 1089 B18R2.445 CNc1ncccc1SCCc2ccncc2 62a_100000723409_100000700899 [0,0,1,0,0,0|2,0,1]=4 1090 B18R2.445 COc1ccccc1SCCc2ccncc2 62a_100000210334_100000723409 [0,0,1,0,0,0|2,0,1]=4 1091 B18R2.445 COc1ccccc1SCCc2ccncc2 62a_100000723409_100000210334 [0,0,1,0,0,0|2,0,1]=4 1092 B18R2.445 CSc1ccccc1SCCc2ccncc2 62a_100000723409_100011217816 [0,0,1,0,0,0|2,0,1]=4 1093 B18R2.445 CSc1ccccc1SCCc2ccncc2 62a_100011217816_100000723409 [0,0,1,0,0,0|2,0,1]=4 1094 B18R2.445 N#Cc1ccccc1OCCc2ccncc2 7a_100000211048_100000723409 [0,0,1,0,0,0|3,0,0]=4 1095 B18R2.445 N#Cc1ccccc1SCCc2ccncc2 62a_100000723409_100000188569 [0,0,1,0,0,0|3,0,0]=4 1096 B18R2.445 NCc1ccccc1SCCc2ccncc2 62a_100000689332_100000723409 [0,0,1,0,0,0|3,0,0]=4 1097 B18R2.445 NCc1ccccc1SCCc2ccncc2 62a_100000723409_100000689332 [0,0,1,0,0,0|3,0,0]=4 1098 B18R2.445 NNc1ccccc1C=CCc2ccccc2 271570a_200016263579_100000241748 [0,0,1,0,0,0|2,0,1]=4 1099 B18R2.445 NNc1ccccc1SCCc2ccccc2 62a_100000241748_100011218657 [0,0,1,0,0,0|3,0,0]=4 1100 B18R2.445 NNc1ccccc1SCCc2ccccc2 62a_100000765856_100000241748 [0,0,1,0,0,0|3,0,0]=4 1101 B18R2.445 NNc1ccccc1SCCc2ccncc2 62a_100000241748_100000723409 [0,0,1,0,0,0|2,0,0]=3 1102 B18R2.445 NNc1ccccc1SCCc2ccncc2 62a_100000723409_100000241748 [0,0,1,0,0,0|2,0,0]=3 1103 B18R2.445 NNc1ccncc1SCCc2ccncc2 62a_100000723409_100013404636 [0,0,1,0,0,0|3,0,0]=4 1104 B18R2.445 NNc1ccncc1SCCc2ccncc2 62a_100013404636_100000723409 [0,0,1,0,0,0|3,0,0]=4 1105 B18R2.445 NNc1ncccc1SCCc2ccncc2 62a_100000723409_100011464834 [0,0,1,0,0,0|3,0,0]=4 1106 B18R2.445 NNc1ncccc1SCCc2ccncc2 62a_100011464834_100000723409 [0,0,1,0,0,0|3,0,0]=4 1107 B18R2.445 O=Cc1ccccc1SCCc2ccncc2 62a_100000210073_100000723409 [0,0,1,0,0,0|3,0,0]=4 1108 B18R2.445 O=Cc1ccccc1SCCc2ccncc2 62a_100000723409_100000210073 [0,0,1,0,0,0|3,0,0]=4 1109 B18R2.445 OCc1ccccc1SCCc2ccncc2 62a_100000187465_100000723409 [0,0,1,0,0,0|3,0,0]=4 1110 B18R2.445 OCc1ccccc1SCCc2ccncc2 62a_100000723409_100000187465 [0,0,1,0,0,0|3,0,0]=4 1111 B18R2.2525 C(=C/c1ccccc1)\CNCc2ccncc2 2230a_100020603302_100015193705 [0,0,1,0,0,0|2,0,1]=4 1112 B18R2.2525 C(=C/c1ccccc1)\CSCc2ccncc2 62a_100015193705_100016265936 [0,0,1,0,0,0|2,0,1]=4 1113 B18R2.2525 C(=C/c1ccccc1)\CSCc2ccncc2 62a_100016265936_100015193705 [0,0,1,0,0,0|2,0,1]=4 1114 B18R2.2525 C(=Cc1ccccc1)C=NNc2ccncc2 4a_100000698918_100000210105 [0,0,1,0,0,0|3,0,0]=4 1115 B18R2.2525 C(=Cc1ccncc1)C=NNc2ccccc2 4a_100015195140_100000703957 [0,0,1,0,0,0|1,0,2]=4 1116 B18R2.2525 C(=NNCc1ccncc1)Cc2ccccc2 4a_100000736929_100000209964 [0,0,1,0,0,0|3,0,0]=4 1117 B18R2.2525 C(=NNc1ccccc1)CCc2ccccc2 4a_100015195140_100000198083 [0,0,1,0,0,0|2,0,0]=3 1118 B18R2.2525 C(=NNc1ccccc1)COc2ccccc2 4a_100015195140_100000758736 [0,0,1,0,0,0|3,0,0]=4 1119 B18R2.2525 C(=NNc1ccccn1)CCc2ccccc2 4a_100000183288_100000198083 [0,0,1,0,0,0|3,0,0]=4 1120 B18R2.2525 C(=NNc1cccnc1)CCc2ccccc2 4a_100000728903_100000198083 [0,0,1,0,0,0|3,0,0]=4 1121 B18R2.2525 C(=NNc1ccncc1)CCc2ccccc2 4a_100000698918_100000198083 [0,0,1,0,0,0|3,0,0]=4 1122 B18R2.2525 c1ccc(cc1)CCCCNc2ccccc2 34a_100000106764_100000701786 [0,0,1,0,0,0|1,0,2]=4 1123 B18R2.2525 c1ccc(cc1)CCNCCc2ccncc2 2230a_100000106460_100000723409 [0,0,1,0,0,0|2,0,1]=4 1124 B18R2.2525 c1ccc(cc1)CCOCCc2ccncc2 34a_100011216225_100000765856 [0,0,1,0,0,0|2,0,1]=4 1125 B18R2.2525 c1ccc(cc1)CCOCCc2ccncc2 7a_100000210268_100000723409 [0,0,1,0,0,0|2,0,1]=4 1126 B18R2.2525 c1ccc(cc1)CCSCCc2ccncc2 62a_100000723409_100011218657 [0,0,1,0,0,0|2,0,1]=4 1127 B18R2.2525 c1ccc(cc1)CCSCCc2ccncc2 62a_100000765856_100000723409 [0,0,1,0,0,0|2,0,1]=4 1128 B18R2.2525 c1ccc(cc1)CNCCCc2ccncc2 207a_100011275580_100015611070 [0,0,1,0,0,0|2,0,1]=4 1129 B18R2.2525 c1ccc(cc1)CNCCCc2ccncc2 2230a_100011275580_100015291786 [0,0,1,0,0,0|2,0,1]=4 1130 B18R2.2525 c1ccc(cc1)CNCCCc2ccncc2 270004a_100011275580_100015611070 [0,0,1,0,0,0|2,0,1]=4 1131 B18R2.2525 c1ccc(cc1)COCCCc2ccncc2 34a_100000210659_100015291786 [0,0,1,0,0,0|2,0,1]=4 1132 B18R2.2525 c1ccc(cc1)OCCCCc2ccncc2 7a_100000210340_100020630000 [0,0,1,0,0,0|1,0,2]=4 1133 B18R2.2525 c1ccc(cc1)SCCCCc2ccncc2 62a_100000719477_100020630000 [0,0,1,0,0,0|1,0,2]=4 1134 B18R2.2525 c1ccc(cc1)SCCCCc2ccncc2 62a_100020630000_100000041952 [0,0,1,0,0,0|1,0,2]=4 1135 B18R2.2525 c1ccc(cc1)SCSCCc2ccncc2 62a_100000723409_100011218342 [0,0,1,0,0,0|2,0,1]=4 1136 B18R2.2525 c1ccc(cc1)SCSCCc2ccncc2 62a_100011218342_100000723409 [0,0,1,0,0,0|2,0,1]=4 1137 B18R2.3606 C=CC(=NNc1ccncc1)c2ccccc2 4a_100000698918_200000750708 [0,0,1,0,0,0|3,0,0]=4 1138 B18R2.3606 C=CC(OCc1ccncc1)c2ccccc2 7a_100011215659_100015193705 [0,0,1,0,0,0|2,0,1]=4 1139 B18R2.3606 C=CC(SCc1ccncc1)c2ccccc2 62a_100015193705_200000085779 [0,0,1,0,0,0|2,0,1]=4 1140 B18R2.3606 C=CC(SCc1ccncc1)c2ccccc2 62a_200000085779_100015193705 [0,0,1,0,0,0|2,0,1]=4 1141 B18R2.3606 CCN(CCc1ccncc1)c2ccccc2 2230a_100000210013_100000723409 [0,0,1,0,0,0|2,0,1]=4 1142 B18R2.3606 CCN(CCc1ccncc1)c2ccccc2 269982a_100000210013_100000723409 [0,0,1,0,0,0|2,0,1]=4 1143 B18R2.4001 CC(OCc1ccncc1)c2ccccc2N 7a_100011405641_100015193705 [0,0,1,0,0,0|1,0,2]=4 1144 B18R2.4001 CN(CCc1ccncc1)c2ccccc2Br 2230a_100020606079_100000723409 [0,0,1,0,0,0|2,0,1]=4 1145 B18R2.4001 CN(CCc1ccncc1)c2ccccc2Br 269982a_100020606079_100000723409 [0,0,1,0,0,0|2,0,1]=4 1146 B18R2.4001 CN(CCc1ccncc1)c2ccccc2Cl 2230a_100000219374_100000723409 [0,0,1,0,0,0|2,0,1]=4 1147 B18R2.4001 CN(CCc1ccncc1)c2ccccc2Cl 269982a_100000219374_100000723409 [0,0,1,0,0,0|2,0,1]=4 1148 B18R2.4001 CN(CCc1ccncc1)c2ccccc2F 2230a_100000220357_100000723409 [0,0,1,0,0,0|2,0,1]=4 1149 B18R2.4001 CN(CCc1ccncc1)c2ccccc2F 269982a_100000220357_100000723409 [0,0,1,0,0,0|2,0,1]=4 1150 B18R2.4001 CN(CCc1ccncc1)c2ccccc2O 269982a_100000033821_100000723409 [0,0,1,0,0,0|2,0,1]=4 1151 B18R2.4001 Cc1ccccc1C(=O)CCc2ccccc2 1458a_100000212026_100000765856 [0,0,1,0,0,0|3,0,0]=4 1152 B18R2.4001 Cc1ccccc1C(=O)CCc2ccncc2 1458a_100000212026_100000723409 [0,0,1,0,0,0|2,0,0]=3 1153 B18R2.4001 Cc1ccccc1C(=O)COc2ccncc2 34a_100000212176_100000741374 [0,0,1,0,0,0|3,0,0]=4 1154 B18R2.4001 Cc1ccccc1C(=O)CSc2ccncc2 62a_100000728582_100000741374 [0,0,1,0,0,0|3,0,0]=4 1155 B18R2.4001 Cc1ccccc1C(=O)CSc2ccncc2 62a_100000741374_100000728582 [0,0,1,0,0,0|3,0,0]=4 1156 B18R2.4001 Cc1ccccc1C(=O)NCc2ccncc2 11a_100000210450_100000212026 [0,0,1,0,0,0|3,0,0]=4 1157 B18R2.4001 Cc1ccccc1C(=O)NCc2ccncc2 1626a_100000210450_100000212026 [0,0,1,0,0,0|3,0,0]=4 1158 B18R2.4001 Cc1ccccc1C(=O)NCc2ccncc2 240690a_100000210450_100000212026 [0,0,1,0,0,0|3,0,0]=4 1159 B18R2.4001 Cc1ccccc1C(=O)NCc2ccncc2 527a_100000210450_100000212026 [0,0,1,0,0,0|3,0,0]=4 1160 B18R2.4001 Cc1ccccc1N(C)CCc2ccncc2 2230a_100000219699_100000723409 [0,0,1,0,0,0|2,0,1]=4 1161 B18R2.4001 Cc1ccccc1N(C)CCc2ccncc2 269982a_100000219699_100000723409 [0,0,1,0,0,0|2,0,1]=4 1162 B18R2.4001 O=C(CCc1ccccc1)c2ccccc2Br 1458a_100000188424_100000765856 [0,0,1,0,0,0|3,0,0]=4 1163 B18R2.4001 O=C(CCc1ccccc1)c2ccccc2Cl 1458a_100000185844_100000765856 [0,0,1,0,0,0|3,0,0]=4 1164 B18R2.4001 O=C(CCc1ccccc1)c2ccccc2F 1458a_100000188656_100000765856 [0,0,1,0,0,0|3,0,0]=4 1165 B18R2.4001 O=C(CCc1ccccc1)c2ccccc2I 1458a_100000187884_100000765856 [0,0,1,0,0,0|3,0,0]=4 1166 B18R2.4001 O=C(CCc1ccccc1)c2ccccc2O 1458a_100015234032_100000765856 [0,0,1,0,0,0|3,0,0]=4 1167 B18R2.4001 O=C(CCc1ccccc1)c2ccccc2[O-] 1458a_100009911694_100000765856 [0,0,1,0,0,0|3,0,0]=4 1168 B18R2.4001 O=C(CCc1ccncc1)c2ccccc2Br 1458a_100000188424_100000723409 [0,0,1,0,0,0|2,0,0]=3 1169 B18R2.4001 O=C(CCc1ccncc1)c2ccccc2Cl 1458a_100000185844_100000723409 [0,0,1,0,0,0|2,0,0]=3 1170 B18R2.4001 O=C(CCc1ccncc1)c2ccccc2F 1458a_100000188656_100000723409 [0,0,1,0,0,0|2,0,0]=3 1171 B18R2.4001 O=C(CCc1ccncc1)c2ccccc2I 1458a_100000187884_100000723409 [0,0,1,0,0,0|2,0,0]=3 1172 B18R2.4001 O=C(CCc1ccncc1)c2ccccc2O 1458a_100015234032_100000723409 [0,0,1,0,0,0|2,0,0]=3 1173 B18R2.4001 O=C(CCc1ccncc1)c2ccccc2[O-] 1458a_100009911694_100000723409 [0,0,1,0,0,0|2,0,0]=3 1174 B18R2.4001 O=C(COc1ccncc1)c2ccccc2Br 34a_100000212176_100000199116 [0,0,1,0,0,0|3,0,0]=4 1175 B18R2.4001 O=C(COc1ccncc1)c2ccccc2Cl 34a_100000212176_100000211432 [0,0,1,0,0,0|3,0,0]=4 1176 B18R2.4001 O=C(COc1ccncc1)c2ccccc2F 34a_100000212176_100000204681 [0,0,1,0,0,0|3,0,0]=4 1177 B18R2.4001 O=C(CSc1ccncc1)c2ccccc2Br 62a_100000199116_100000728582 [0,0,1,0,0,0|3,0,0]=4 1178 B18R2.4001 O=C(CSc1ccncc1)c2ccccc2Cl 62a_100000211432_100000728582 [0,0,1,0,0,0|3,0,0]=4 1179 B18R2.4001 O=C(CSc1ccncc1)c2ccccc2Cl 62a_100000728582_100000211432 [0,0,1,0,0,0|3,0,0]=4 1180 B18R2.4001 O=C(CSc1ccncc1)c2ccccc2F 62a_100000204681_100000728582 [0,0,1,0,0,0|3,0,0]=4 1181 B18R2.4001 O=C(CSc1ccncc1)c2ccccc2F 62a_100000728582_100000204681 [0,0,1,0,0,0|3,0,0]=4 1182 B18R2.4001 O=C(CSc1ccncc1)c2ccccc2O 62a_100000188908_100000728582 [0,0,1,0,0,0|3,0,0]=4 1183 B18R2.4001 O=C(CSc1ccncc1)c2ccccc2O 62a_100000728582_100000188908 [0,0,1,0,0,0|3,0,0]=4 1184 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2Br 11a_100000210450_100000188424 [0,0,1,0,0,0|3,0,0]=4 1185 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2Br 1626a_100000210450_100000188424 [0,0,1,0,0,0|3,0,0]=4 1186 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2Br 240690a_100000210450_100000188424 [0,0,1,0,0,0|3,0,0]=4 1187 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2Br 527a_100000210450_100000188424 [0,0,1,0,0,0|3,0,0]=4 1188 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2Cl 11a_100000210450_100000185844 [0,0,1,0,0,0|3,0,0]=4 1189 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2Cl 1626a_100000210450_100000185844 [0,0,1,0,0,0|3,0,0]=4 1190 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2Cl 240690a_100000210450_100000185844 [0,0,1,0,0,0|3,0,0]=4 1191 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2Cl 527a_100000210450_100000185844 [0,0,1,0,0,0|3,0,0]=4 1192 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2F 11a_100000210450_100000188656 [0,0,1,0,0,0|3,0,0]=4 1193 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2F 1626a_100000210450_100000188656 [0,0,1,0,0,0|3,0,0]=4 1194 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2F 240690a_100000210450_100000188656 [0,0,1,0,0,0|3,0,0]=4 1195 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2F 527a_100000210450_100000188656 [0,0,1,0,0,0|3,0,0]=4 1196 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2I 11a_100000210450_100000187884 [0,0,1,0,0,0|3,0,0]=4 1197 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2I 1626a_100000210450_100000187884 [0,0,1,0,0,0|3,0,0]=4 1198 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2I 240690a_100000210450_100000187884 [0,0,1,0,0,0|3,0,0]=4 1199 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2I 527a_100000210450_100000187884 [0,0,1,0,0,0|3,0,0]=4 1200 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2O 240690a_100000210450_100015234032 [0,0,1,0,0,0|3,0,0]=4 1201 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2[O-] 1626a_100000210450_100009911694 [0,0,1,0,0,0|3,0,0]=4 1202 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2[O-] 240690a_100000210450_100009911694 [0,0,1,0,0,0|3,0,0]=4 1203 B18R2.4001 O=C(NCc1ccncc1)c2ccccc2[O-] 527a_100000210450_100009911694 [0,0,1,0,0,0|3,0,0]=4 1204 B18R3.2098 c1cc(ccn1)Sc2c[nH]c3c2ccnc3 62a_100000728582_100010232032 [0,0,0,0,1,0|2,0,0]=3 1205 B18R3.2098 c1cc(ccn1)Sc2c[nH]c3c2cncc3 62a_100000728582_100000753697 [0,0,0,0,1,0|2,0,0]=3 1206 B18R3.2098 c1cc(ccn1)Sc2c[nH]c3c2cncn3 62a_100000728582_100000072862 [0,0,0,0,1,0|3,0,0]=4 1207 B18R3.2098 c1cc(ccn1)Sc2c[nH]c3c2cncn3 62a_100009817560_100000728582 [0,0,0,0,1,0|3,0,0]=4 1208 B18R3.2098 c1cc(ccn1)Sc2c[nH]c3c2nccn3 62a_100000728582_100009819587 [0,0,0,0,1,0|3,0,0]=4 1209 B18R3.2098 c1cc(ccn1)Sc2csc3c2ccnc3 62a_100000728582_100009817111 [0,0,0,0,1,0|3,0,0]=4 1210 B18R3.2098 c1cc(ccn1)Sc2csc3c2ccnc3 62a_100009817111_100000728582 [0,0,0,0,1,0|3,0,0]=4 1211 B18R3.2098 c1cc(ccn1)Sc2csc3c2cncc3 62a_100000728582_100010247091 [0,0,0,0,1,0|3,0,0]=4 1212 B18R3.2098 c1cc(ccn1)Sc2csc3c2cncc3 62a_100010247091_100000728582 [0,0,0,0,1,0|3,0,0]=4 1213 B18R3.2098 c1cc(ccn1)Sc2n[nH]c3c2ccnc3 62a_100000728582_100010244369 [0,0,0,0,1,0|3,0,0]=4 1214 B18R3.2098 c1cc(ccn1)Sc2n[nH]c3c2cncc3 62a_100000728582_100009820117 [0,0,0,0,1,0|3,0,0]=4 1215 B18R3.2098 c1cc(ncn1)Sc2c[nH]c3c2ccnc3 62a_100000703185_100010232032 [0,0,0,0,1,0|3,0,0]=4 1216 B18R3.2098 c1cc(ncn1)Sc2c[nH]c3c2cncc3 62a_100000703185_100000753697 [0,0,0,0,1,0|3,0,0]=4 1217 B18R3.2098 c1cc2[nH]cc(c2cn1)Sc3ccnnc3 62a_100000732662_100000753697 [0,0,0,0,1,0|3,0,0]=4 1218 B18R3.2098 c1cc2c(c[nH]c2cn1)Sc3ccnnc3 62a_100000732662_100010232032 [0,0,0,0,1,0|3,0,0]=4 1219 B18R3.2098 c1ccc(cc1)Sc2c[nH]c3c2cccn3 62a_100000719477_100011934613 [0,0,0,0,1,0|3,0,0]=4 1220 B18R3.2098 c1ccc(cc1)Sc2c[nH]c3c2ccnc3 62a_100000719477_100010232032 [0,0,0,0,1,0|3,0,0]=4 1221 B18R3.2098 c1ccc(cc1)Sc2c[nH]c3c2cncc3 62a_100000719477_100000753697 [0,0,0,0,1,0|3,0,0]=4 1222 B18R3.2098 c1ccc(cc1)Sc2c[nH]c3c2nccc3 62a_100000719477_100009817151 [0,0,0,0,1,0|3,0,0]=4 1223 B18R3.2098 c1ccc(cc1)Sc2csc3c2cccc3 62a_100000719477_100009813928 [0,0,0,0,1,0|3,0,0]=4 1224 B18R3.2098 c1ccc(cc1)Sc2n[nH]c3c2cccc3 62a_100000719477_100000050141 [0,0,0,0,1,0|3,0,0]=4 1225 B18R3.2098 c1ccc2c(coc2c1)Sc3ccncc3 62a_100000728582_100009812202 [0,0,0,0,1,0|2,0,0]=3 1226 B18R3.2098 c1ccc2c(coc2c1)Sc3ccncn3 62a_100000703185_100009812202 [0,0,0,0,1,0|3,0,0]=4 1227 B18R3.2098 c1ccc2c(coc2c1)Sc3ccnnc3 62a_100000732662_100009812202 [0,0,0,0,1,0|3,0,0]=4 1228 B18R3.2098 c1ccc2c(csc2c1)Sc3ccncc3 62a_100000728582_100009813928 [0,0,0,0,1,0|2,0,0]=3 1229 B18R3.2098 c1ccc2c(csc2c1)Sc3ccncn3 62a_100000703185_100009813928 [0,0,0,0,1,0|3,0,0]=4 1230 B18R3.2098 c1ccc2c(csc2c1)Sc3ccnnc3 62a_100000732662_100009813928 [0,0,0,0,1,0|3,0,0]=4 1231 B18R3.2098 c1ccc2c(n[nH]c2c1)Sc3ccncc3 62a_100000728582_100000050141 [0,0,0,0,1,0|2,0,0]=3 1232 B18R3.2098 c1ccc2c(n[nH]c2c1)Sc3ccncn3 62a_100000703185_100000050141 [0,0,0,0,1,0|3,0,0]=4 1233 B18R3.2098 c1ccc2c(n[nH]c2c1)Sc3ccnnc3 62a_100000732662_100000050141 [0,0,0,0,1,0|3,0,0]=4 1234 B18R3.2098 c1ccc2c(noc2c1)Sc3ccncc3 62a_100000728582_200000703156 [0,0,0,0,1,0|3,0,0]=4 1235 B18R3.2098 c1ccc2c(noc2c1)Sc3ccncc3 62a_200000703156_100000728582 [0,0,0,0,1,0|3,0,0]=4 1236 B18R3.2098 c1ccn2c(cnc2c1)Sc3ccncc3 62a_100000728582_100011219245 [0,0,0,0,1,0|2,0,1]=4 1237 B18R3.2098 c1ccn2ncc(c2c1)Sc3ccncc3 62a_100000728582_100009817726 [0,0,0,0,1,0|2,0,1]=4 1238 B18R3.2098 c1cnc2[nH]cc(c2c1)Sc3ccncc3 62a_100000728582_100011934613 [0,0,0,0,1,0|2,0,0]=3 1239 B18R3.2098 c1cnc2[nH]cc(c2c1)Sc3ccncn3 62a_100000703185_100011934613 [0,0,0,0,1,0|3,0,0]=4 1240 B18R3.2098 c1cnc2[nH]cc(c2c1)Sc3ccnnc3 62a_100000732662_100011934613 [0,0,0,0,1,0|3,0,0]=4 1241 B18R3.2098 c1cnc2[nH]nc(c2c1)Sc3ccncc3 62a_100000728582_100009888962 [0,0,0,0,1,0|3,0,0]=4 1242 B18R3.2098 c1cnc2c(c[nH]c2c1)Sc3ccncc3 62a_100000728582_100009817151 [0,0,0,0,1,0|2,0,0]=3 1243 B18R3.2098 c1cnc2c(c[nH]c2c1)Sc3ccncn3 62a_100000703185_100009817151 [0,0,0,0,1,0|3,0,0]=4 1244 B18R3.2098 c1cnc2c(c[nH]c2c1)Sc3ccnnc3 62a_100000732662_100009817151 [0,0,0,0,1,0|3,0,0]=4 1245 B18R3.2098 c1cnc2c(coc2c1)Sc3ccncc3 62a_100000728582_100009889148 [0,0,0,0,1,0|3,0,0]=4 1246 B18R3.2098 c1cnc2c(csc2c1)Sc3ccncc3 62a_100000728582_100010247092 [0,0,0,0,1,0|3,0,0]=4 1247 B18R3.2098 c1cnc2c(n[nH]c2c1)Sc3ccncc3 62a_100000728582_100009817118 [0,0,0,0,1,0|3,0,0]=4 1248 B18R3.2098 c1cnc2scc(c2c1)Sc3ccncc3 62a_100000728582_100009830249 [0,0,0,0,1,0|3,0,0]=4 1249 B18R3.2098 c1cnc2scc(c2c1)Sc3ccncc3 62a_100009830249_100000728582 [0,0,0,0,1,0|3,0,0]=4 1250 B18R3.2100 c1ccc2c(c1)CC2=NNc3ccncc3 4a_100000698918_100000051409 [0,0,0,0,1,0|2,0,1]=4 1251 B18R3.2100 c1ccc2c(c1)CC2SCc3ccncc3 62a_100009813401_100015193705 [0,0,0,0,1,0|1,0,2]=4 1252 B18R3.2100 c1ccc2c(c1)CC2SCc3ccncc3 62a_100015193705_100009813401 [0,0,0,0,1,0|1,0,2]=4 1253 B18R3.3347 C1=CCN(C1)CCc2c[nH]c3c2cccc3 269982a_100015195280_100011218569 [0,0,0,0,1,0|1,0,2]=4 1254 B18R3.3347 c1cc2[nH]cc(c2cn1)SCc3ccn[nH]3 62a_100000728653_100000753697 [0,0,0,0,1,0|3,0,0]=4 1255 B18R3.3347 c1cc2[nH]cc(c2cn1)SCc3ccsc3 62a_100011261437_100000753697 [0,0,0,0,1,0|3,0,0]=4 1256 B18R3.3347 c1cc2[nH]cc(c2cn1)SCc3cncs3 62a_100015185245_100000753697 [0,0,0,0,1,0|3,0,0]=4 1257 B18R3.3347 c1cc2c(c[nH]c2cn1)SCc3ccn[nH]3 62a_100000728653_100010232032 [0,0,0,0,1,0|3,0,0]=4 1258 B18R3.3347 c1cc2c(c[nH]c2cn1)SCc3ccsc3 62a_100011261437_100010232032 [0,0,0,0,1,0|3,0,0]=4 1259 B18R3.3347 c1cc2c(c[nH]c2cn1)SCc3cncs3 62a_100015185245_100010232032 [0,0,0,0,1,0|3,0,0]=4 1260 B18R3.3347 c1ccc2c(coc2c1)SCc3ccn[nH]3 62a_100000728653_100009812202 [0,0,0,0,1,0|3,0,0]=4 1261 B18R3.3347 c1ccc2c(coc2c1)SCc3ccsc3 62a_100011261437_100009812202 [0,0,0,0,1,0|3,0,0]=4 1262 B18R3.3347 c1ccc2c(coc2c1)SCc3cncs3 62a_100015185245_100009812202 [0,0,0,0,1,0|3,0,0]=4 1263 B18R3.3347 c1ccc2c(csc2c1)COc3ccsc3 34a_100000106738_200000742921 [0,0,0,0,1,0|3,0,0]=4 1264 B18R3.3347 c1ccc2c(csc2c1)CSc3ccoc3 62a_100011215275_200000742921 [0,0,0,0,1,0|3,0,0]=4 1265 B18R3.3347 c1ccc2c(csc2c1)CSc3ccoc3 62a_200000742921_100011215275 [0,0,0,0,1,0|3,0,0]=4 1266 B18R3.3347 c1ccc2c(csc2c1)CSc3ccsc3 62a_100000738268_200000742921 [0,0,0,0,1,0|3,0,0]=4 1267 B18R3.3347 c1ccc2c(csc2c1)CSc3ccsc3 62a_200000742921_100000738268 [0,0,0,0,1,0|3,0,0]=4 1268 B18R3.3347 c1ccc2c(csc2c1)CSc3cn[nH]c3 62a_100000238712_200000742921 [0,0,0,0,1,0|3,0,0]=4 1269 B18R3.3347 c1ccc2c(csc2c1)CSc3cn[nH]c3 62a_200000742921_100000238712 [0,0,0,0,1,0|3,0,0]=4 1270 B18R3.3347 c1ccc2c(csc2c1)CSc3cnco3 62a_100020591547_200000742921 [0,0,0,0,1,0|3,0,0]=4 1271 B18R3.3347 c1ccc2c(csc2c1)CSc3cnco3 62a_200000742921_100020591547 [0,0,0,0,1,0|3,0,0]=4 1272 B18R3.3347 c1ccc2c(csc2c1)CSc3cncs3 62a_100011934649_200000742921 [0,0,0,0,1,0|3,0,0]=4 1273 B18R3.3347 c1ccc2c(csc2c1)CSc3cncs3 62a_200000742921_100011934649 [0,0,0,0,1,0|3,0,0]=4 1274 B18R3.3347 c1ccc2c(csc2c1)CSc3cnoc3 62a_100009815712_200000742921 [0,0,0,0,1,0|3,0,0]=4 1275 B18R3.3347 c1ccc2c(csc2c1)CSc3cnoc3 62a_200000742921_100009815712 [0,0,0,0,1,0|3,0,0]=4 1276 B18R3.3347 c1ccc2c(csc2c1)CSc3cnsc3 62a_100009815736_200000742921 [0,0,0,0,1,0|3,0,0]=4 1277 B18R3.3347 c1ccc2c(csc2c1)CSc3cnsc3 62a_200000742921_100009815736 [0,0,0,0,1,0|3,0,0]=4 1278 B18R3.3347 c1ccc2c(csc2c1)OCc3ccn[nH]3 34a_100000077758_100000728653 [0,0,0,0,1,0|3,0,0]=4 1279 B18R3.3347 c1ccc2c(csc2c1)OCc3ccn[nH]3 7a_100000077758_100000728653 [0,0,0,0,1,0|3,0,0]=4 1280 B18R3.3347 c1ccc2c(csc2c1)OCc3ccsc3 34a_100000077758_100011261437 [0,0,0,0,1,0|3,0,0]=4 1281 B18R3.3347 c1ccc2c(csc2c1)OCc3ccsc3 7a_100000077758_100011261437 [0,0,0,0,1,0|3,0,0]=4 1282 B18R3.3347 c1ccc2c(csc2c1)OCc3cncs3 34a_100000077758_100015185245 [0,0,0,0,1,0|3,0,0]=4 1283 B18R3.3347 c1ccc2c(csc2c1)OCc3cncs3 7a_100000077758_100015185245 [0,0,0,0,1,0|3,0,0]=4 1284 B18R3.3347 c1ccc2c(csc2c1)SCc3ccn[nH]3 62a_100000728653_100009813928 [0,0,0,0,1,0|3,0,0]=4 1285 B18R3.3347 c1ccc2c(csc2c1)SCc3ccsc3 62a_100011261437_100009813928 [0,0,0,0,1,0|3,0,0]=4 1286 B18R3.3347 c1ccc2c(csc2c1)SCc3cncs3 62a_100015185245_100009813928 [0,0,0,0,1,0|3,0,0]=4 1287 B18R3.3347 c1ccc2c(n[nH]c2c1)SCc3ccn[nH]3 62a_100000728653_100000050141 [0,0,0,0,1,0|3,0,0]=4 1288 B18R3.3347 c1ccc2c(n[nH]c2c1)SCc3ccsc3 62a_100011261437_100000050141 [0,0,0,0,1,0|3,0,0]=4 1289 B18R3.3347 c1ccc2c(n[nH]c2c1)SCc3cncs3 62a_100015185245_100000050141 [0,0,0,0,1,0|3,0,0]=4 1290 B18R3.3347 c1cnc2[nH]cc(c2c1)SCc3ccn[nH]3 62a_100000728653_100011934613 [0,0,0,0,1,0|3,0,0]=4 1291 B18R3.3347 c1cnc2[nH]cc(c2c1)SCc3ccsc3 62a_100011261437_100011934613 [0,0,0,0,1,0|3,0,0]=4 1292 B18R3.3347 c1cnc2[nH]cc(c2c1)SCc3cncs3 62a_100015185245_100011934613 [0,0,0,0,1,0|3,0,0]=4 1293 B18R3.3347 c1cnc2c(c[nH]c2c1)SCc3ccn[nH]3 62a_100000728653_100009817151 [0,0,0,0,1,0|3,0,0]=4 1294 B18R3.3347 c1cnc2c(c[nH]c2c1)SCc3ccsc3 62a_100011261437_100009817151 [0,0,0,0,1,0|3,0,0]=4 1295 B18R3.3347 c1cnc2c(c[nH]c2c1)SCc3cncs3 62a_100015185245_100009817151 [0,0,0,0,1,0|3,0,0]=4 1296 B18R3.3347 c1coc(c1)SCc2csc3c2cccc3 62a_100009814098_200000742921 [0,0,0,0,1,0|3,0,0]=4 1297 B18R3.3347 c1coc(c1)SCc2csc3c2cccc3 62a_200000742921_100009814098 [0,0,0,0,1,0|3,0,0]=4 1298 B18R3.3347 c1csc(c1)SCc2csc3c2cccc3 62a_100011215356_200000742921 [0,0,0,0,1,0|3,0,0]=4 1299 B18R3.3347 c1csc(c1)SCc2csc3c2cccc3 62a_200000742921_100011215356 [0,0,0,0,1,0|3,0,0]=4 1300 B18R3.12824 c1cc(ccn1)CSc2csc3c2scc3 62a_100015193705_100009817191 [0,0,0,0,1,0|3,0,0]=4 1301 B20R3.2720 c1cc(c2cccnc2c1)NCc3ccncc3 207a_100000183906_100000186114 [0,0,0,0,0,1|3,0,0]=4 1302 B20R3.2720 c1cc(c2cccnc2c1)NCc3ccncc3 27a_100000210450_100011290932 [0,0,0,0,0,1|3,0,0]=4 1303 B20R3.2720 c1cc(c2cccnc2c1)SCc3ccncc3 62a_100011290932_100015193705 [0,0,0,0,0,1|3,0,0]=4 1304 B20R3.2720 c1cc(c2cccnc2c1)SCc3ccncc3 62a_100015193705_100011290932 [0,0,0,0,0,1|3,0,0]=4 1305 B20R3.2720 c1cc(c2ccncc2c1)COc3ccncc3 34a_100000212176_100016989825 [0,0,0,0,0,1|3,0,0]=4 1306 B20R3.2720 c1cc(c2ccncc2c1)CSc3ccncc3 62a_100000728582_100016989825 [0,0,0,0,0,1|3,0,0]=4 1307 B20R3.2720 c1cc(c2ccncc2c1)CSc3ccncc3 62a_100016989825_100000728582 [0,0,0,0,0,1|3,0,0]=4 1308 B20R3.2720 c1cc(c2ccncc2c1)NCc3ccncc3 207a_100000210097_100000186114 [0,0,0,0,0,1|3,0,0]=4 1309 B20R3.2720 c1cc(c2ccncc2c1)SCc3ccncc3 62a_100000186358_100015193705 [0,0,0,0,0,1|3,0,0]=4 1310 B20R3.2720 c1cc(c2ccncc2c1)SCc3ccncc3 62a_100015193705_100000186358 [0,0,0,0,0,1|3,0,0]=4 1311 B20R3.2720 c1cc(c2cnccc2c1)NCc3ccncc3 207a_100000065885_100000186114 [0,0,0,0,0,1|3,0,0]=4 1312 B20R3.2720 c1cc(c2cnccc2c1)SCc3ccncc3 62a_100000685578_100015193705 [0,0,0,0,0,1|3,0,0]=4 1313 B20R3.2720 c1cc(c2cnccc2c1)SCc3ccncc3 62a_100015193705_100000685578 [0,0,0,0,0,1|3,0,0]=4 1314 B20R3.2720 c1cc(ccn1)CNc2ccnc3c2cncc3 27a_100000210450_100000095135 [0,0,0,0,0,1|2,0,1]=4 1315 B20R3.2720 c1cc(ccn1)CNc2nccc3c2cncc3 27a_100000210450_100000116921 [0,0,0,0,0,1|3,0,0]=4 1316 B20R3.2720 c1cc(ccn1)CNc2ncnc3c2ccnc3 27a_100000210450_100000098430 [0,0,0,0,0,1|2,0,1]=4 1317 B20R3.2720 c1cc(ccn1)CSc2ccnc3c2cncc3 62a_100000095135_100015193705 [0,0,0,0,0,1|2,0,1]=4 1318 B20R3.2720 c1cc(ccn1)CSc2ccnc3c2cncc3 62a_100015193705_100000095135 [0,0,0,0,0,1|2,0,1]=4 1319 B20R3.2720 c1cc(ccn1)CSc2cncc3c2ccnc3 62a_100010134378_100015193705 [0,0,0,0,0,1|2,0,1]=4 1320 B20R3.2720 c1cc(ccn1)CSc2cncc3c2ccnc3 62a_100015193705_100010134378 [0,0,0,0,0,1|2,0,1]=4 1321 B20R3.2720 c1cc(ccn1)CSc2nccc3c2cncc3 62a_100015193705_100000116921 [0,0,0,0,0,1|3,0,0]=4 1322 B20R3.2720 c1cc(ccn1)CSc2nccc3c2cncc3 62a_200010063730_100015193705 [0,0,0,0,0,1|3,0,0]=4 1323 B20R3.2720 c1cc(ccn1)CSc2ncnc3c2ccnc3 62a_100015193705_100000098430 [0,0,0,0,0,1|2,0,1]=4 1324 B20R3.2720 c1ccc(cc1)CNc2cccc3c2cccc3 207a_100000185869_100015611070 [0,0,0,0,0,1|3,0,0]=4 1325 B20R3.2720 c1ccc(cc1)CNc2cccc3c2cccc3 34a_100000185869_100015291786 [0,0,0,0,0,1|3,0,0]=4 1326 B20R3.2720 c1ccc(cc1)CNc2ccnc3c2cccc3 27a_100015324214_100011215880 [0,0,0,0,0,1|2,0,1]=4 1327 B20R3.2720 c1ccc(cc1)CNc2cnnc3c2cccc3 27a_100015324214_100000063506 [0,0,0,0,0,1|2,0,1]=4 1328 B20R3.2720 c1ccc(cc1)CNc2nccc3c2cccc3 27a_100015324214_100011934041 [0,0,0,0,0,1|3,0,0]=4 1329 B20R3.2720 c1ccc(cc1)CNc2ncnc3c2cccc3 27a_100015324214_100000217608 [0,0,0,0,0,1|2,0,1]=4 1330 B20R3.2720 c1ccc(cc1)COc2cccc3c2cccc3 34a_100000210388_100015291786 [0,0,0,0,0,1|3,0,0]=4 1331 B20R3.2720 c1ccc(cc1)COc2cccc3c2cccc3 7a_100000210388_100000211182 [0,0,0,0,0,1|3,0,0]=4 1332 B20R3.2720 c1ccc(cc1)COc2cncc3c2cccc3 34a_100000066178_100015291786 [0,0,0,0,0,1|2,0,1]=4 1333 B20R3.2720 c1ccc(cc1)COc2cncc3c2cccc3 7a_100000066178_100000211182 [0,0,0,0,0,1|2,0,1]=4 1334 B20R3.2720 c1ccc(cc1)COc2nccc3c2cccc3 34a_102531767632_100015291786 [0,0,0,0,0,1|3,0,0]=4 1335 B20R3.2720 c1ccc(cc1)CSc2cccc3c2cccc3 62a_100000211182_100000210605 [0,0,0,0,0,1|3,0,0]=4 1336 B20R3.2720 c1ccc(cc1)CSc2ccnc3c2cccc3 62a_100000211182_100011215880 [0,0,0,0,0,1|2,0,1]=4 1337 B20R3.2720 c1ccc(cc1)CSc2ccnc3c2cccc3 62a_100011458314_100015291786 [0,0,0,0,0,1|2,0,1]=4 1338 B20R3.2720 c1ccc(cc1)CSc2cncc3c2cccc3 62a_100000187577_100015291786 [0,0,0,0,0,1|2,0,1]=4 1339 B20R3.2720 c1ccc(cc1)CSc2cncc3c2cccc3 62a_100000211182_100000187577 [0,0,0,0,0,1|2,0,1]=4 1340 B20R3.2720 c1ccc(cc1)CSc2cnnc3c2cccc3 62a_100000211182_100000063506 [0,0,0,0,0,1|2,0,1]=4 1341 B20R3.2720 c1ccc(cc1)CSc2nccc3c2cccc3 62a_100000211182_100011934041 [0,0,0,0,0,1|3,0,0]=4 1342 B20R3.2720 c1ccc(cc1)CSc2nccc3c2cccc3 62a_100011934041_100015291786 [0,0,0,0,0,1|3,0,0]=4 1343 B20R3.2720 c1ccc(cc1)CSc2ncnc3c2cccc3 62a_100000211182_100000217608 [0,0,0,0,0,1|2,0,1]=4 1344 B20R3.2720 c1ccc(cc1)CSc2ncnc3c2cccc3 62a_100000753007_100015291786 [0,0,0,0,0,1|2,0,1]=4 1345 B20R3.2720 c1ccc(cc1)NCc2cccc3c2cccc3 207a_100000106764_100000210074 [0,0,0,0,0,1|3,0,0]=4 1346 B20R3.2720 c1ccc(cc1)NCc2cccc3c2cccc3 270302a_100000106764_100000210074 [0,0,0,0,0,1|3,0,0]=4 1347 B20R3.2720 c1ccc(cc1)NCc2cccc3c2cccc3 34a_100000106764_100011261445 [0,0,0,0,0,1|3,0,0]=4 1348 B20R3.2720 c1ccc(cc1)NCc2ccnc3c2cccc3 34a_100000106764_100015192512 [0,0,0,0,0,1|2,0,1]=4 1349 B20R3.2720 c1ccc(cc1)NCc2cncc3c2cccc3 207a_100000106764_100000684730 [0,0,0,0,0,1|2,0,1]=4 1350 B20R3.2720 c1ccc(cc1)NCc2cncc3c2cccc3 270302a_100000106764_100000684730 [0,0,0,0,0,1|2,0,1]=4 1351 B20R3.2720 c1ccc(cc1)NCc2nccc3c2cccc3 207a_100000106764_100011361464 [0,0,0,0,0,1|3,0,0]=4 1352 B20R3.2720 c1ccc(cc1)NCc2nccc3c2cccc3 34a_100000106764_100000033776 [0,0,0,0,0,1|3,0,0]=4 1353 B20R3.2720 c1ccc(cc1)OCc2cccc3c2cccc3 34a_100000210340_100011261445 [0,0,0,0,0,1|3,0,0]=4 1354 B20R3.2720 c1ccc(cc1)OCc2cccc3c2cccc3 7a_100000210340_100011261445 [0,0,0,0,0,1|3,0,0]=4 1355 B20R3.2720 c1ccc(cc1)OCc2ccnc3c2cccc3 34a_100000210340_100015192512 [0,0,0,0,0,1|2,0,1]=4 1356 B20R3.2720 c1ccc(cc1)OCc2ccnc3c2cccc3 7a_100000210340_100015192512 [0,0,0,0,0,1|2,0,1]=4 1357 B20R3.2720 c1ccc(cc1)OCc2nccc3c2cccc3 34a_100000210340_100000033776 [0,0,0,0,0,1|3,0,0]=4 1358 B20R3.2720 c1ccc(cc1)OCc2nccc3c2cccc3 7a_100000210340_100000033776 [0,0,0,0,0,1|3,0,0]=4 1359 B20R3.2720 c1ccc(cc1)SCc2cccc3c2cccc3 62a_100000719477_100000188474 [0,0,0,0,0,1|3,0,0]=4 1360 B20R3.2720 c1ccc(cc1)SCc2cccc3c2cccc3 62a_100011261445_100000041952 [0,0,0,0,0,1|3,0,0]=4 1361 B20R3.2720 c1ccc(cc1)SCc2ccnc3c2cccc3 62a_100000719477_100015192512 [0,0,0,0,0,1|2,0,1]=4 1362 B20R3.2720 c1ccc(cc1)SCc2ccnc3c2cccc3 62a_100015192512_100000041952 [0,0,0,0,0,1|2,0,1]=4 1363 B20R3.2720 c1ccc(cc1)SCc2nccc3c2cccc3 62a_100000033776_100000041952 [0,0,0,0,0,1|3,0,0]=4 1364 B20R3.2720 c1ccc(cc1)SCc2nccc3c2cccc3 62a_100000719477_100000033776 [0,0,0,0,0,1|3,0,0]=4 1365 B20R3.2720 c1ccc2c(c1)NCCC2=NNc3ccncc3 4a_100000698918_100000691674 [0,0,0,0,0,1|2,0,1]=4 1366 B20R3.2720 c1ccc2c(c1)NNCC2=NNc3ccncc3 4a_100000698918_100020634119 [0,0,0,0,0,1|2,0,1]=4 1367 B20R3.2720 c1ccc2c(cccc2c1)CNc3ccncn3 27a_100000753325_100000703185 [0,0,0,0,0,1|3,0,0]=4 1368 B20R3.2720 c1ccc2c(cccc2c1)COc3ccncc3 34a_100000212176_100011261445 [0,0,0,0,0,1|2,0,0]=3 1369 B20R3.2720 c1ccc2c(cccc2c1)COc3ccnnc3 34a_100015204005_100011261445 [0,0,0,0,0,1|3,0,0]=4 1370 B20R3.2720 c1ccc2c(cccc2c1)CSc3ccncc3 62a_100000728582_100000188474 [0,0,0,0,0,1|2,0,0]=3 1371 B20R3.2720 c1ccc2c(cccc2c1)CSc3ccncc3 62a_100011261445_100000728582 [0,0,0,0,0,1|2,0,0]=3 1372 B20R3.2720 c1ccc2c(cccc2c1)CSc3ccncn3 62a_100000703185_100000188474 [0,0,0,0,0,1|3,0,0]=4 1373 B20R3.2720 c1ccc2c(cccc2c1)CSc3ccncn3 62a_100011261445_100000703185 [0,0,0,0,0,1|3,0,0]=4 1374 B20R3.2720 c1ccc2c(cccc2c1)CSc3ccnnc3 62a_100000732662_100000188474 [0,0,0,0,0,1|3,0,0]=4 1375 B20R3.2720 c1ccc2c(cccc2c1)CSc3ccnnc3 62a_100011261445_100000732662 [0,0,0,0,0,1|3,0,0]=4 1376 B20R3.2720 c1ccc2c(cccc2c1)NCc3ccncc3 207a_100000185869_100000186114 [0,0,0,0,0,1|2,0,0]=3 1377 B20R3.2720 c1ccc2c(cccc2c1)OCc3ccncc3 7a_100000210388_100015193705 [0,0,0,0,0,1|2,0,0]=3 1378 B20R3.2720 c1ccc2c(cccc2c1)SCc3ccncc3 62a_100015193705_100000210605 [0,0,0,0,0,1|2,0,0]=3 1379 B20R3.2720 c1ccc2c(ccnc2c1)CNc3ccncn3 27a_100015187208_100000703185 [0,0,0,0,0,1|2,0,1]=4 1380 B20R3.2720 c1ccc2c(ccnc2c1)COc3ccncc3 34a_100000212176_100015192512 [0,0,0,0,0,1|1,0,1]=3 1381 B20R3.2720 c1ccc2c(ccnc2c1)COc3ccnnc3 34a_100015204005_100015192512 [0,0,0,0,0,1|2,0,1]=4 1382 B20R3.2720 c1ccc2c(ccnc2c1)CSc3ccncc3 62a_100000728582_100015192512 [0,0,0,0,0,1|1,0,1]=3 1383 B20R3.2720 c1ccc2c(ccnc2c1)CSc3ccncc3 62a_100015192512_100000728582 [0,0,0,0,0,1|1,0,1]=3 1384 B20R3.2720 c1ccc2c(ccnc2c1)CSc3ccncn3 62a_100000703185_100015192512 [0,0,0,0,0,1|2,0,1]=4 1385 B20R3.2720 c1ccc2c(ccnc2c1)CSc3ccncn3 62a_100015192512_100000703185 [0,0,0,0,0,1|2,0,1]=4 1386 B20R3.2720 c1ccc2c(ccnc2c1)CSc3ccnnc3 62a_100000732662_100015192512 [0,0,0,0,0,1|2,0,1]=4 1387 B20R3.2720 c1ccc2c(ccnc2c1)CSc3ccnnc3 62a_100015192512_100000732662 [0,0,0,0,0,1|2,0,1]=4 1388 B20R3.2720 c1ccc2c(ccnc2c1)NCc3ccncc3 27a_100000210450_100011215880 [0,0,0,0,0,1|1,0,1]=3 1389 B20R3.2720 c1ccc2c(ccnc2c1)NCc3ccncn3 27a_100000736019_100011215880 [0,0,0,0,0,1|2,0,1]=4 1390 B20R3.2720 c1ccc2c(ccnc2c1)SCc3ccncc3 62a_100011458314_100015193705 [0,0,0,0,0,1|1,0,1]=3 1391 B20R3.2720 c1ccc2c(ccnc2c1)SCc3ccncc3 62a_100015193705_100011215880 [0,0,0,0,0,1|1,0,1]=3 1392 B20R3.2720 c1ccc2c(cncc2c1)OCc3ccncc3 7a_100000066178_100015193705 [0,0,0,0,0,1|1,0,1]=3 1393 B20R3.2720 c1ccc2c(cncc2c1)SCc3ccncc3 62a_100000187577_100015193705 [0,0,0,0,0,1|1,0,1]=3 1394 B20R3.2720 c1ccc2c(cncc2c1)SCc3ccncc3 62a_100015193705_100000187577 [0,0,0,0,0,1|1,0,1]=3 1395 B20R3.2720 c1ccc2c(cnnc2c1)NCc3ccncc3 27a_100000210450_100000063506 [0,0,0,0,0,1|1,0,1]=3 1396 B20R3.2720 c1ccc2c(cnnc2c1)NCc3ccncn3 27a_100000736019_100000063506 [0,0,0,0,0,1|2,0,1]=4 1397 B20R3.2720 c1ccc2c(cnnc2c1)SCc3ccncc3 62a_100015193705_100000063506 [0,0,0,0,0,1|1,0,1]=3 1398 B20R3.2720 c1ccc2c(nccc2c1)CNc3ccncn3 27a_100000735229_100000703185 [0,0,0,0,0,1|3,0,0]=4 1399 B20R3.2720 c1ccc2c(nccc2c1)COc3ccncc3 34a_100000212176_100000033776 [0,0,0,0,0,1|2,0,0]=3 1400 B20R3.2720 c1ccc2c(nccc2c1)COc3ccnnc3 34a_100015204005_100000033776 [0,0,0,0,0,1|3,0,0]=4 1401 B20R3.2720 c1ccc2c(nccc2c1)CSc3ccncc3 62a_100000033776_100000728582 [0,0,0,0,0,1|2,0,0]=3 1402 B20R3.2720 c1ccc2c(nccc2c1)CSc3ccncc3 62a_100000728582_100000033776 [0,0,0,0,0,1|2,0,0]=3 1403 B20R3.2720 c1ccc2c(nccc2c1)CSc3ccncn3 62a_100000033776_100000703185 [0,0,0,0,0,1|3,0,0]=4 1404 B20R3.2720 c1ccc2c(nccc2c1)CSc3ccncn3 62a_100000703185_100000033776 [0,0,0,0,0,1|3,0,0]=4 1405 B20R3.2720 c1ccc2c(nccc2c1)CSc3ccnnc3 62a_100000033776_100000732662 [0,0,0,0,0,1|3,0,0]=4 1406 B20R3.2720 c1ccc2c(nccc2c1)CSc3ccnnc3 62a_100000732662_100000033776 [0,0,0,0,0,1|3,0,0]=4 1407 B20R3.2720 c1ccc2c(nccc2c1)NCc3ccncc3 27a_100000210450_100011934041 [0,0,0,0,0,1|2,0,0]=3 1408 B20R3.2720 c1ccc2c(nccc2c1)NCc3ccncn3 27a_100000736019_100011934041 [0,0,0,0,0,1|3,0,0]=4 1409 B20R3.2720 c1ccc2c(nccc2c1)SCc3ccncc3 62a_100011934041_100015193705 [0,0,0,0,0,1|2,0,0]=3 1410 B20R3.2720 c1ccc2c(nccc2c1)SCc3ccncc3 62a_100015193705_100011934041 [0,0,0,0,0,1|2,0,0]=3 1411 B20R3.2720 c1ccc2c(ncnc2c1)NCc3ccncc3 27a_100000210450_100000217608 [0,0,0,0,0,1|1,0,1]=3 1412 B20R3.2720 c1ccc2c(ncnc2c1)NCc3ccncn3 27a_100000736019_100000217608 [0,0,0,0,0,1|2,0,1]=4 1413 B20R3.2720 c1ccc2c(ncnc2c1)SCc3ccncc3 62a_100000753007_100015193705 [0,0,0,0,0,1|1,0,1]=3 1414 B20R3.2720 c1ccc2c(ncnc2c1)SCc3ccncc3 62a_100015193705_100000217608 [0,0,0,0,0,1|1,0,1]=3 1415 B20R3.2720 c1ccc2c(nncc2c1)SCc3ccncc3 62a_100015193705_100025712358 [0,0,0,0,0,1|2,0,1]=4 1416 B20R3.2720 c1cnc2c(cccc2c1)COc3ccncc3 34a_100000212176_100000241032 [0,0,0,0,0,1|3,0,0]=4 1417 B20R3.2720 c1cnc2c(cccc2c1)CSc3ccncc3 62a_100000728582_100000241032 [0,0,0,0,0,1|3,0,0]=4 1418 B20R3.2720 c1cnc2c(cccc2c1)NCc3ccncc3 207a_100000181377_100000186114 [0,0,0,0,0,1|3,0,0]=4 1419 B20R3.2720 c1cnc2c(cccc2c1)SCc3ccncc3 62a_100015193705_100011215545 [0,0,0,0,0,1|3,0,0]=4 1420 B20R3.2720 c1cnc2c(nccc2c1)NCc3ccncc3 27a_100000210450_100010063729 [0,0,0,0,0,1|3,0,0]=4 1421 B20R3.2720 c1cnc2c(nccc2c1)SCc3ccncc3 62a_100015193705_100010063729 [0,0,0,0,0,1|3,0,0]=4 1422 B20R3.2720 c1cnc2c(ncnc2c1)NCc3ccncc3 27a_100000210450_100000063688 [0,0,0,0,0,1|2,0,1]=4 1423 B20R3.2720 c1cnc2c(ncnc2c1)SCc3ccncc3 62a_100015193705_100000063688 [0,0,0,0,0,1|2,0,1]=4 1424 B20R3.2720 c1cnc2ccnc(c2c1)NCc3ccncc3 27a_100000210450_100000077681 [0,0,0,0,0,1|3,0,0]=4 1425 B20R3.2720 c1cnc2ccnc(c2c1)SCc3ccncc3 62a_100015193705_100000077681 [0,0,0,0,0,1|3,0,0]=4 1426 B20R3.2720 c1cnc2cncc(c2c1)NCc3ccncc3 27a_100000210450_100010211308 [0,0,0,0,0,1|2,0,1]=4 1427 B20R3.2720 c1cnc2cncc(c2c1)SCc3ccncc3 62a_100010211308_100015193705 [0,0,0,0,0,1|2,0,1]=4 1428 B20R3.2720 c1cnc2cncc(c2c1)SCc3ccncc3 62a_100015193705_100010211308 [0,0,0,0,0,1|2,0,1]=4 1429 B20R3.2720 c1cnc2nccc(c2c1)NCc3ccncc3 27a_100000210450_100000087570 [0,0,0,0,0,1|2,0,1]=4 1430 B20R3.2720 c1cnc2nccc(c2c1)SCc3ccncc3 62a_100000087570_100015193705 [0,0,0,0,0,1|2,0,1]=4 1431 B20R3.2720 c1cnc2nccc(c2c1)SCc3ccncc3 62a_100015193705_100000087570 [0,0,0,0,0,1|2,0,1]=4 1432 B20R3.2720 c1cnc2ncnc(c2c1)NCc3ccncc3 27a_100000210450_100000026734 [0,0,0,0,0,1|2,0,1]=4 1433 B20R3.2720 c1cnc2ncnc(c2c1)SCc3ccncc3 62a_100000026734_100015193705 [0,0,0,0,0,1|2,0,1]=4 1434 B20R3.2720 c1cnc2ncnc(c2c1)SCc3ccncc3 62a_100015193705_100000026734 [0,0,0,0,0,1|2,0,1]=4 1435 B20R3.2725 C(=Cc1c[nH]c2c1cccn2)Cc3ccccc3 271570a_200016263579_100011934613 [0,0,0,0,0,1|2,0,1]=4 1436 B20R3.2725 C(=Cc1c[nH]c2c1ccnc2)Cc3ccccc3 271570a_200016263579_100010232032 [0,0,0,0,0,1|2,0,1]=4 1437 B20R3.2725 C(=Cc1c[nH]c2c1cncc2)Cc3ccccc3 271570a_200016263579_100011934843 [0,0,0,0,0,1|2,0,1]=4 1438 B20R3.2725 C(=Cc1c[nH]c2c1nccc2)Cc3ccccc3 271570a_200016263579_100009817151 [0,0,0,0,0,1|2,0,1]=4 1439 B20R3.2725 C(=Cc1coc2c1cccc2)Cc3ccccc3 271570a_200016263579_100009812202 [0,0,0,0,0,1|2,0,1]=4 1440 B20R3.2725 C(=Cc1csc2c1cccc2)Cc3ccccc3 271570a_200016263579_100009813928 [0,0,0,0,0,1|2,0,1]=4 1441 B20R3.2725 C(=Cc1n[nH]c2c1cccc2)Cc3ccccc3 271570a_200016263579_100000050141 [0,0,0,0,0,1|2,0,1]=4 1442 B20R3.2725 C(=NNc1ccccc1)c2c[nH]c3c2cccc3 4a_100015195140_100000182151 [0,0,0,0,0,1|2,0,1]=4 1443 B20R3.2725 C(=NNc1ccncc1)c2c[nH]c3c2cccc3 4a_100000698918_100000182151 [0,0,0,0,0,1|1,0,1]=3 1444 B20R3.2725 C(=NNc1ccncc1)c2c[nH]c3c2cccn3 4a_100000698918_100000187067 [0,0,0,0,0,1|2,0,1]=4 1445 B20R3.2725 C(=NNc1ccncc1)c2c[nH]c3c2ccnc3 4a_100000698918_100000087688 [0,0,0,0,0,1|2,0,1]=4 1446 B20R3.2725 C(=NNc1ccncc1)c2c[nH]c3c2cncc3 4a_100000698918_100011787733 [0,0,0,0,0,1|2,0,1]=4 1447 B20R3.2725 C(=NNc1ccncc1)c2c[nH]c3c2nccc3 4a_100000698918_100000133833 [0,0,0,0,0,1|2,0,1]=4 1448 B20R3.2725 C(=NNc1ccncc1)c2coc3c2cccc3 4a_100000698918_100000688544 [0,0,0,0,0,1|2,0,1]=4 1449 B20R3.2725 C(=NNc1ccncc1)c2csc3c2cccc3 4a_100000698918_100000239721 [0,0,0,0,0,1|2,0,1]=4 1450 B20R3.2725 C(=NNc1ccncc1)c2n[nH]c3c2cccc3 4a_100000698918_100000059708 [0,0,0,0,0,1|2,0,1]=4 1451 B20R3.2725 C(=NNc1ccncn1)c2c[nH]c3c2cccc3 4a_100011438088_100000182151 [0,0,0,0,0,1|2,0,1]=4 1452 B20R3.2725 c1cc(ccn1)CCNc2cnn3c2cncc3 27a_100000742849_100010892148 [0,0,0,0,0,1|2,0,1]=4 1453 B20R3.2725 c1cc(ccn1)CCNc2csc3c2nccn3 27a_100000742849_100010174841 [0,0,0,0,0,1|3,0,0]=4 1454 B20R3.2725 c1cc(ccn1)CCNc2n[nH]c3c2cncc3 27a_100000742849_100009820117 [0,0,0,0,0,1|2,0,0]=3 1455 B20R3.2725 c1cc(ccn1)CCNc2n[nH]c3c2cncn3 27a_100000742849_100009875510 [0,0,0,0,0,1|3,0,0]=4 1456 B20R3.2725 c1cc(ccn1)CCNc2n[nH]c3c2nccn3 27a_100000742849_100009819591 [0,0,0,0,0,1|3,0,0]=4 1457 B20R3.2725 c1cc(ccn1)CCSc2c[nH]c3c2ccnc3 62a_100000723409_100010232032 [0,0,0,0,0,1|1,0,0]=2 1458 B20R3.2725 c1cc(ccn1)CCSc2c[nH]c3c2cncc3 62a_100000723409_100000753697 [0,0,0,0,0,1|1,0,0]=2 1459 B20R3.2725 c1cc(ccn1)CCSc2c[nH]c3c2cncn3 62a_100000723409_100000072862 [0,0,0,0,0,1|2,0,0]=3 1460 B20R3.2725 c1cc(ccn1)CCSc2c[nH]c3c2cncn3 62a_100009817560_100000723409 [0,0,0,0,0,1|2,0,0]=3 1461 B20R3.2725 c1cc(ccn1)CCSc2c[nH]c3c2nccn3 62a_100000723409_100009819587 [0,0,0,0,0,1|2,0,0]=3 1462 B20R3.2725 c1cc(ccn1)CCSc2cnc3n2ccnc3 62a_100000723409_100011934586 [0,0,0,0,0,1|2,0,1]=4 1463 B20R3.2725 c1cc(ccn1)CCSc2cnc3n2ccnc3 62a_100011934586_100000723409 [0,0,0,0,0,1|2,0,1]=4 1464 B20R3.2725 c1cc(ccn1)CCSc2cnn3c2cncc3 62a_100000723409_100010892148 [0,0,0,0,0,1|2,0,1]=4 1465 B20R3.2725 c1cc(ccn1)CCSc2cnn3c2cncc3 62a_100010892148_100000723409 [0,0,0,0,0,1|2,0,1]=4 1466 B20R3.2725 c1cc(ccn1)CCSc2csc3c2ccnc3 62a_100000723409_100009817111 [0,0,0,0,0,1|2,0,0]=3 1467 B20R3.2725 c1cc(ccn1)CCSc2csc3c2ccnc3 62a_100009817111_100000723409 [0,0,0,0,0,1|2,0,0]=3 1468 B20R3.2725 c1cc(ccn1)CCSc2csc3c2cncc3 62a_100000723409_100010247091 [0,0,0,0,0,1|2,0,0]=3 1469 B20R3.2725 c1cc(ccn1)CCSc2csc3c2cncc3 62a_100010247091_100000723409 [0,0,0,0,0,1|2,0,0]=3 1470 B20R3.2725 c1cc(ccn1)CCSc2csc3c2nccn3 62a_100000723409_100010174841 [0,0,0,0,0,1|3,0,0]=4 1471 B20R3.2725 c1cc(ccn1)CCSc2n[nH]c3c2ccnc3 62a_100000723409_100010244369 [0,0,0,0,0,1|2,0,0]=3 1472 B20R3.2725 c1cc(ccn1)CCSc2n[nH]c3c2cncc3 62a_100000723409_100009820117 [0,0,0,0,0,1|2,0,0]=3 1473 B20R3.2725 c1cc(ccn1)CCSc2n[nH]c3c2cncn3 62a_100000723409_100009875510 [0,0,0,0,0,1|3,0,0]=4 1474 B20R3.2725 c1cc(ccn1)CCSc2n[nH]c3c2cncn3 62a_100009875510_100000723409 [0,0,0,0,0,1|3,0,0]=4 1475 B20R3.2725 c1cc(ccn1)CCSc2n[nH]c3c2nccn3 62a_100000723409_100009819591 [0,0,0,0,0,1|3,0,0]=4 1476 B20R3.2725 c1ccc(cc1)CCNc2n[nH]c3c2cccn3 27a_100000106460_100009818534 [0,0,0,0,0,1|3,0,0]=4 1477 B20R3.2725 c1ccc(cc1)CCNc2n[nH]c3c2cncc3 27a_100000106460_100009820117 [0,0,0,0,0,1|3,0,0]=4 1478 B20R3.2725 c1ccc(cc1)CCNc2n[nH]c3c2nccc3 27a_100000106460_100009817118 [0,0,0,0,0,1|3,0,0]=4 1479 B20R3.2725 c1ccc(cc1)CCOc2csc3c2cccc3 34a_100000077758_100000765856 [0,0,0,0,0,1|2,0,0]=3 1480 B20R3.2725 c1ccc(cc1)CCOc2csc3c2cccc3 7a_100000077758_100000765856 [0,0,0,0,0,1|2,0,0]=3 1481 B20R3.2725 c1ccc(cc1)CCSc2c[nH]c3c2cccn3 62a_100000765856_100011934613 [0,0,0,0,0,1|2,0,0]=3 1482 B20R3.2725 c1ccc(cc1)CCSc2c[nH]c3c2ccnc3 62a_100000765856_100010232032 [0,0,0,0,0,1|2,0,0]=3 1483 B20R3.2725 c1ccc(cc1)CCSc2c[nH]c3c2cncc3 62a_100000765856_100000753697 [0,0,0,0,0,1|2,0,0]=3 1484 B20R3.2725 c1ccc(cc1)CCSc2c[nH]c3c2cncn3 62a_100000765856_100000072862 [0,0,0,0,0,1|3,0,0]=4 1485 B20R3.2725 c1ccc(cc1)CCSc2c[nH]c3c2cncn3 62a_100009817560_100011218657 [0,0,0,0,0,1|3,0,0]=4 1486 B20R3.2725 c1ccc(cc1)CCSc2c[nH]c3c2nccc3 62a_100000765856_100009817151 [0,0,0,0,0,1|2,0,0]=3 1487 B20R3.2725 c1ccc(cc1)CCSc2c[nH]c3c2nccn3 62a_100000765856_100009819587 [0,0,0,0,0,1|3,0,0]=4 1488 B20R3.2725 c1ccc(cc1)CCSc2cnc3n2cccc3 62a_100000765856_100011219245 [0,0,0,0,0,1|2,0,1]=4 1489 B20R3.2725 c1ccc(cc1)CCSc2cnn3c2cccc3 62a_100000765856_100009817726 [0,0,0,0,0,1|2,0,1]=4 1490 B20R3.2725 c1ccc(cc1)CCSc2coc3c2cccc3 62a_100000765856_100009812202 [0,0,0,0,0,1|2,0,0]=3 1491 B20R3.2725 c1ccc(cc1)CCSc2coc3c2nccc3 62a_100000765856_100009889148 [0,0,0,0,0,1|3,0,0]=4 1492 B20R3.2725 c1ccc(cc1)CCSc2csc3c2cccc3 62a_100000765856_100009813928 [0,0,0,0,0,1|2,0,0]=3 1493 B20R3.2725 c1ccc(cc1)CCSc2csc3c2cccn3 62a_100000765856_100009830249 [0,0,0,0,0,1|3,0,0]=4 1494 B20R3.2725 c1ccc(cc1)CCSc2csc3c2cccn3 62a_100009830249_100011218657 [0,0,0,0,0,1|3,0,0]=4 1495 B20R3.2725 c1ccc(cc1)CCSc2csc3c2ccnc3 62a_100000765856_100009817111 [0,0,0,0,0,1|3,0,0]=4 1496 B20R3.2725 c1ccc(cc1)CCSc2csc3c2ccnc3 62a_100009817111_100011218657 [0,0,0,0,0,1|3,0,0]=4 1497 B20R3.2725 c1ccc(cc1)CCSc2csc3c2cncc3 62a_100000765856_100010247091 [0,0,0,0,0,1|3,0,0]=4 1498 B20R3.2725 c1ccc(cc1)CCSc2csc3c2cncc3 62a_100010247091_100011218657 [0,0,0,0,0,1|3,0,0]=4 1499 B20R3.2725 c1ccc(cc1)CCSc2csc3c2nccc3 62a_100000765856_100010247092 [0,0,0,0,0,1|3,0,0]=4 1500 B20R3.2725 c1ccc(cc1)CCSc2n[nH]c3c2cccc3 62a_100000765856_100000050141 [0,0,0,0,0,1|2,0,0]=3 1501 B20R3.2725 c1ccc(cc1)CCSc2n[nH]c3c2cccn3 62a_100000765856_100009888962 [0,0,0,0,0,1|3,0,0]=4 1502 B20R3.2725 c1ccc(cc1)CCSc2n[nH]c3c2ccnc3 62a_100000765856_100010244369 [0,0,0,0,0,1|3,0,0]=4 1503 B20R3.2725 c1ccc(cc1)CCSc2n[nH]c3c2cncc3 62a_100000765856_100009820117 [0,0,0,0,0,1|3,0,0]=4 1504 B20R3.2725 c1ccc(cc1)CCSc2n[nH]c3c2nccc3 62a_100000765856_100009817118 [0,0,0,0,0,1|3,0,0]=4 1505 B20R3.2725 c1ccc(cc1)CCSc2noc3c2cccc3 62a_100000765856_200000703156 [0,0,0,0,0,1|3,0,0]=4 1506 B20R3.2725 c1ccc(cc1)CCSc2noc3c2cccc3 62a_200000703156_100011218657 [0,0,0,0,0,1|3,0,0]=4 1507 B20R3.2725 c1ccc(cc1)CNCc2[nH]nc3c2cccc3 207a_100011642502_100015611070 [0,0,0,0,0,1|2,0,1]=4 1508 B20R3.2725 c1ccc(cc1)CNCc2[nH]nc3c2cccc3 270004a_100011642502_100015611070 [0,0,0,0,0,1|2,0,1]=4 1509 B20R3.2725 c1ccc(cc1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100015611070 [0,0,0,0,0,1|1,0,0]=2 1510 B20R3.2725 c1ccc(cc1)CNCc2c[nH]c3c2ccnc3 270004a_100015324214_100000087688 [0,0,0,0,0,1|2,0,0]=3 1511 B20R3.2725 c1ccc(cc1)CNCc2cnc3n2cccc3 207a_100015187830_100015611070 [0,0,0,0,0,1|2,0,1]=4 1512 B20R3.2725 c1ccc(cc1)CNCc2cnc3n2cccc3 207a_100015324214_100000052358 [0,0,0,0,0,1|2,0,1]=4 1513 B20R3.2725 c1ccc(cc1)CNCc2cnc3n2cccc3 2230a_100015187830_100015291786 [0,0,0,0,0,1|2,0,1]=4 1514 B20R3.2725 c1ccc(cc1)CNCc2cnc3n2cccc3 270004a_100015187830_100015611070 [0,0,0,0,0,1|2,0,1]=4 1515 B20R3.2725 c1ccc(cc1)CNCc2cnc3n2cccc3 270004a_100015324214_100000052358 [0,0,0,0,0,1|2,0,1]=4 1516 B20R3.2725 c1ccc(cc1)CNCc2cnn3c2cccc3 207a_100015324214_100011787723 [0,0,0,0,0,1|2,0,1]=4 1517 B20R3.2725 c1ccc(cc1)CNCc2cnn3c2cccc3 270004a_100015324214_100011787723 [0,0,0,0,0,1|2,0,1]=4 1518 B20R3.2725 c1ccc(cc1)CNCc2coc3c2cccc3 207a_100015324214_100000688544 [0,0,0,0,0,1|2,0,0]=3 1519 B20R3.2725 c1ccc(cc1)CNCc2coc3c2cccc3 270004a_100015324214_100000688544 [0,0,0,0,0,1|2,0,0]=3 1520 B20R3.2725 c1ccc(cc1)CNCc2csc3c2cccc3 207a_100000744611_100015611070 [0,0,0,0,0,1|2,0,0]=3 1521 B20R3.2725 c1ccc(cc1)CNCc2csc3c2cccc3 207a_100015324214_100000239721 [0,0,0,0,0,1|2,0,0]=3 1522 B20R3.2725 c1ccc(cc1)CNCc2csc3c2cccc3 2230a_100015324214_200000742921 [0,0,0,0,0,1|2,0,0]=3 1523 B20R3.2725 c1ccc(cc1)CNCc2csc3c2cccc3 270004a_100000744611_100015611070 [0,0,0,0,0,1|2,0,0]=3 1524 B20R3.2725 c1ccc(cc1)CNCc2csc3c2cccc3 270004a_100015324214_100000239721 [0,0,0,0,0,1|2,0,0]=3 1525 B20R3.2725 c1ccc(cc1)CNCc2csc3c2cccc3 34a_100000744611_100015291786 [0,0,0,0,0,1|2,0,0]=3 1526 B20R3.2725 c1ccc(cc1)CNCc2csc3c2cccc3 34a_100015324214_200000742921 [0,0,0,0,0,1|2,0,0]=3 1527 B20R3.2725 c1ccc(cc1)CNCc2n[nH]c3c2cccc3 207a_100015324214_100000059708 [0,0,0,0,0,1|2,0,0]=3 1528 B20R3.2725 c1ccc(cc1)CNCc2n[nH]c3c2cccc3 270004a_100015324214_100000059708 [0,0,0,0,0,1|2,0,0]=3 1529 B20R3.2725 c1ccc(cc1)CNCc2noc3c2cccc3 34a_100015324214_100009813815 [0,0,0,0,0,1|3,0,0]=4 1530 B20R3.2725 c1ccc(cc1)COCc2csc3c2cccc3 34a_100000210790_200000742921 [0,0,0,0,0,1|2,0,0]=3 1531 B20R3.2725 c1ccc(cc1)COCc2csc3c2cccc3 34a_100011219454_100015291786 [0,0,0,0,0,1|2,0,0]=3 1532 B20R3.2725 c1ccc(cc1)COCc2noc3c2cccc3 34a_100000210790_100009813815 [0,0,0,0,0,1|3,0,0]=4 1533 B20R3.2725 c1ccc(cc1)COCc2noc3c2cccc3 7a_100000210790_100009813815 [0,0,0,0,0,1|3,0,0]=4 1534 B20R3.2725 c1ccc(cc1)CSCc2csc3c2cccc3 62a_100000211182_200000742921 [0,0,0,0,0,1|2,0,0]=3 1535 B20R3.2725 c1ccc(cc1)CSCc2csc3c2cccc3 62a_200000742921_100015291786 [0,0,0,0,0,1|2,0,0]=3 1536 B20R3.2725 c1ccc(cc1)CSCc2noc3c2cccc3 62a_100000211182_100009813815 [0,0,0,0,0,1|3,0,0]=4 1537 B20R3.2725 c1ccc(cc1)CSCc2noc3c2cccc3 62a_100009813815_100015291786 [0,0,0,0,0,1|3,0,0]=4 1538 B20R3.2725 c1ccc(cc1)NCCc2c[nH]c3c2cccc3 34a_100000106764_100011218569 [0,0,0,0,0,1|1,0,0]=2 1539 B20R3.2725 c1ccc(cc1)OCCc2c[nH]c3c2cccc3 34a_100000210340_100011218569 [0,0,0,0,0,1|1,0,0]=2 1540 B20R3.2725 c1ccc(cc1)OCCc2c[nH]c3c2cccc3 7a_100000210340_100011218569 [0,0,0,0,0,1|1,0,0]=2 1541 B20R3.2725 c1ccc(cc1)OCCc2c[nH]c3c2cccn3 7a_100000210340_100009895007 [0,0,0,0,0,1|2,0,0]=3 1542 B20R3.2725 c1ccc(cc1)SCCc2c[nH]c3c2cccc3 62a_100000719477_100011218569 [0,0,0,0,0,1|1,0,0]=2 1543 B20R3.2725 c1ccc(cc1)SCCc2c[nH]c3c2cccn3 62a_100000719477_100009895007 [0,0,0,0,0,1|2,0,0]=3 1544 B20R3.2725 c1ccc(cc1)SCSc2c[nH]c3c2cccn3 62a_100011218342_100011934613 [0,0,0,0,0,1|3,0,0]=4 1545 B20R3.2725 c1ccc(cc1)SCSc2c[nH]c3c2ccnc3 62a_100011218342_100010232032 [0,0,0,0,0,1|3,0,0]=4 1546 B20R3.2725 c1ccc(cc1)SCSc2c[nH]c3c2cncc3 62a_100011218342_100000753697 [0,0,0,0,0,1|3,0,0]=4 1547 B20R3.2725 c1ccc(cc1)SCSc2c[nH]c3c2nccc3 62a_100011218342_100009817151 [0,0,0,0,0,1|3,0,0]=4 1548 B20R3.2725 c1ccc(cc1)SCSc2coc3c2cccc3 62a_100011218342_100009812202 [0,0,0,0,0,1|3,0,0]=4 1549 B20R3.2725 c1ccc(cc1)SCSc2csc3c2cccc3 62a_100011218342_100009813928 [0,0,0,0,0,1|3,0,0]=4 1550 B20R3.2725 c1ccc(cc1)SCSc2n[nH]c3c2cccc3 62a_100011218342_100000050141 [0,0,0,0,0,1|3,0,0]=4 1551 B20R3.2725 c1ccc(nc1)CCOc2csc3c2cccc3 7a_100000077758_100015183660 [0,0,0,0,0,1|3,0,0]=4 1552 B20R3.2725 c1ccc(nc1)CCSc2c[nH]c3c2cccn3 62a_100015183660_100011934613 [0,0,0,0,0,1|3,0,0]=4 1553 B20R3.2725 c1ccc(nc1)CCSc2c[nH]c3c2ccnc3 62a_100015183660_100010232032 [0,0,0,0,0,1|3,0,0]=4 1554 B20R3.2725 c1ccc(nc1)CCSc2c[nH]c3c2cncc3 62a_100015183660_100000753697 [0,0,0,0,0,1|3,0,0]=4 1555 B20R3.2725 c1ccc(nc1)CCSc2c[nH]c3c2nccc3 62a_100015183660_100009817151 [0,0,0,0,0,1|3,0,0]=4 1556 B20R3.2725 c1ccc(nc1)CCSc2coc3c2cccc3 62a_100015183660_100009812202 [0,0,0,0,0,1|3,0,0]=4 1557 B20R3.2725 c1ccc(nc1)CCSc2csc3c2cccc3 62a_100015183660_100009813928 [0,0,0,0,0,1|3,0,0]=4 1558 B20R3.2725 c1ccc(nc1)CCSc2n[nH]c3c2cccc3 62a_100015183660_100000050141 [0,0,0,0,0,1|3,0,0]=4 1559 B20R3.2725 c1ccc(nc1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000209966 [0,0,0,0,0,1|2,0,0]=3 1560 B20R3.2725 c1ccc(nc1)CNCc2c[nH]c3c2ccnc3 270004a_100000210449_100000087688 [0,0,0,0,0,1|3,0,0]=4 1561 B20R3.2725 c1ccc(nc1)CNCc2coc3c2cccc3 270004a_100000210449_100000688544 [0,0,0,0,0,1|3,0,0]=4 1562 B20R3.2725 c1ccc(nc1)CNCc2csc3c2cccc3 207a_100000744611_100000209966 [0,0,0,0,0,1|3,0,0]=4 1563 B20R3.2725 c1ccc(nc1)CNCc2csc3c2cccc3 270004a_100000210449_100000239721 [0,0,0,0,0,1|3,0,0]=4 1564 B20R3.2725 c1ccc(nc1)CNCc2csc3c2cccc3 270004a_100000744611_100000209966 [0,0,0,0,0,1|3,0,0]=4 1565 B20R3.2725 c1ccc(nc1)CNCc2csc3c2cccc3 34a_100000744611_100000721315 [0,0,0,0,0,1|3,0,0]=4 1566 B20R3.2725 c1ccc(nc1)CNCc2n[nH]c3c2cccc3 270004a_100000210449_100000059708 [0,0,0,0,0,1|3,0,0]=4 1567 B20R3.2725 c1ccc(nc1)COCc2csc3c2cccc3 34a_100011219454_100000721315 [0,0,0,0,0,1|3,0,0]=4 1568 B20R3.2725 c1ccc(nc1)CSCc2csc3c2cccc3 62a_100000721315_200000742921 [0,0,0,0,0,1|3,0,0]=4 1569 B20R3.2725 c1ccc(nc1)CSCc2csc3c2cccc3 62a_200000742921_100000721315 [0,0,0,0,0,1|3,0,0]=4 1570 B20R3.2725 c1ccc(nc1)SCCc2c[nH]c3c2cccc3 62a_100011216584_100011218569 [0,0,0,0,0,1|2,0,0]=3 1571 B20R3.2725 c1ccc(nc1)SCCc2c[nH]c3c2cccn3 62a_100011216584_100009895007 [0,0,0,0,0,1|3,0,0]=4 1572 B20R3.2725 c1ccc2c([nH]nc2c1)CNCc3ccncc3 207a_100011642502_100000186114 [0,0,0,0,0,1|1,0,1]=3 1573 B20R3.2725 c1ccc2c([nH]nc2c1)CNCc3ccnnc3 270004a_100011642502_100011934578 [0,0,0,0,0,1|2,0,1]=4 1574 B20R3.2725 c1ccc2c(c1)CCC2=NNCc3ccncc3 4a_100000736929_100000212051 [0,0,0,0,0,1|2,0,1]=4 1575 B20R3.2725 c1ccc2c(c1)CCC2CNCc3ccncc3 207a_100020632452_100000186114 [0,0,0,0,0,1|1,0,2]=4 1576 B20R3.2725 c1ccc2c(c1)CCC2CNCc3ccncc3 2230a_100020632452_100015193705 [0,0,0,0,0,1|1,0,2]=4 1577 B20R3.2725 c1ccc2c(c1)CCC2NCCc3ccncc3 269862a_100000742849_100000212051 [0,0,0,0,0,1|1,0,2]=4 1578 B20R3.2725 c1ccc2c(c1)CCC2OCCc3ccncc3 7a_100000212247_100000723409 [0,0,0,0,0,1|1,0,2]=4 1579 B20R3.2725 c1ccc2c(c1)CCC2SCCc3ccncc3 62a_100000723409_200000721974 [0,0,0,0,0,1|1,0,2]=4 1580 B20R3.2725 c1ccc2c(c1)CC[C@@H]2NCCc3ccncc3 2230a_100016989578_100000723409 [0,0,0,0,0,1|1,0,2]=4 1581 B20R3.2725 c1ccc2c(c1)OCC2=NNCc3ccncc3 4a_100000736929_100000185568 [0,0,0,0,0,1|2,0,1]=4 1582 B20R3.2725 c1ccc2c(c1)OCC2NCCc3ccncc3 2230a_100000747519_100000723409 [0,0,0,0,0,1|1,0,2]=4 1583 B20R3.2725 c1ccc2c(c1)SCC2=NNCc3ccncc3 4a_100000736929_100000062685 [0,0,0,0,0,1|2,0,1]=4 1584 B20R3.2725 c1ccc2c(c1)ncn2CCNc3ccncn3 27a_100000746447_100000703185 [0,0,0,0,0,1|2,0,1]=4 1585 B20R3.2725 c1ccc2c(c1)nnn2CSCc3ccncc3 62a_100015193705_100000033166 [0,0,0,0,0,1|2,0,1]=4 1586 B20R3.2725 c1ccc2c(c[nH]c2c1)CCNc3ccncn3 27a_100000211132_100000703185 [0,0,0,0,0,1|1,0,0]=2 1587 B20R3.2725 c1ccc2c(c[nH]c2c1)CCNc3cnccn3 27a_100000211132_100000211759 [0,0,0,0,0,1|3,0,0]=4 1588 B20R3.2725 c1ccc2c(c[nH]c2c1)CCOc3ccncc3 34a_100000212176_100011218569 [0,0,0,0,0,1|0,0,0]=1 1589 B20R3.2725 c1ccc2c(c[nH]c2c1)CCOc3ccnnc3 34a_100015204005_100011218569 [0,0,0,0,0,1|1,0,0]=2 1590 B20R3.2725 c1ccc2c(c[nH]c2c1)CCOc3cncnc3 7a_100000754086_100011218569 [0,0,0,0,0,1|3,0,0]=4 1591 B20R3.2725 c1ccc2c(c[nH]c2c1)CCSc3ccncc3 62a_100000728582_100011218569 [0,0,0,0,0,1|0,0,0]=1 1592 B20R3.2725 c1ccc2c(c[nH]c2c1)CCSc3ccncn3 62a_100000703185_100011218569 [0,0,0,0,0,1|1,0,0]=2 1593 B20R3.2725 c1ccc2c(c[nH]c2c1)CCSc3ccnnc3 62a_100000732662_100011218569 [0,0,0,0,0,1|1,0,0]=2 1594 B20R3.2725 c1ccc2c(c[nH]c2c1)CCSc3cnccn3 62a_100000211759_100011218569 [0,0,0,0,0,1|3,0,0]=4 1595 B20R3.2725 c1ccc2c(c[nH]c2c1)CCSc3cncnc3 62a_100011206942_100011218569 [0,0,0,0,0,1|3,0,0]=4 1596 B20R3.2725 c1ccc2c(c[nH]c2c1)CCSc3cnnnc3 62a_100009846058_100011218569 [0,0,0,0,0,1|2,0,0]=3 1597 B20R3.2725 c1ccc2c(c[nH]c2c1)CNCc3ccnnc3 270004a_100015202335_100011934578 [0,0,0,0,0,1|1,0,0]=2 1598 B20R3.2725 c1ccc2c(c[nH]c2c1)CNCc3cnccn3 270004a_100015202335_100000749867 [0,0,0,0,0,1|3,0,0]=4 1599 B20R3.2725 c1ccc2c(c[nH]c2c1)CNCc3cncnc3 270004a_100015202335_100000749868 [0,0,0,0,0,1|3,0,0]=4 1600 B20R3.2725 c1ccc2c(coc2c1)CCNc3ccncn3 27a_100011934666_100000703185 [0,0,0,0,0,1|2,0,0]=3 1601 B20R3.2725 c1ccc2c(coc2c1)SCCc3ccncc3 62a_100000723409_100009812202 [0,0,0,0,0,1|1,0,0]=2 1602 B20R3.2725 c1ccc2c(csc2c1)CNCc3ccncc3 207a_100000744611_100000186114 [0,0,0,0,0,1|1,0,0]=2 1603 B20R3.2725 c1ccc2c(csc2c1)CNCc3ccnnc3 270004a_100000744611_100011934578 [0,0,0,0,0,1|2,0,0]=3 1604 B20R3.2725 c1ccc2c(csc2c1)CSCc3ccncc3 62a_100015193705_200000742921 [0,0,0,0,0,1|1,0,0]=2 1605 B20R3.2725 c1ccc2c(csc2c1)CSCc3ccncc3 62a_200000742921_100015193705 [0,0,0,0,0,1|1,0,0]=2 1606 B20R3.2725 c1ccc2c(csc2c1)OCCc3ccncc3 7a_100000077758_100000723409 [0,0,0,0,0,1|1,0,0]=2 1607 B20R3.2725 c1ccc2c(csc2c1)SCCc3ccncc3 62a_100000723409_100009813928 [0,0,0,0,0,1|1,0,0]=2 1608 B20R3.2725 c1ccc2c(n[nH]c2c1)SCCc3ccncc3 62a_100000723409_100000050141 [0,0,0,0,0,1|1,0,0]=2 1609 B20R3.2725 c1ccc2c(noc2c1)CSCc3ccncc3 62a_100009813815_100015193705 [0,0,0,0,0,1|2,0,0]=3 1610 B20R3.2725 c1ccc2c(noc2c1)CSCc3ccncc3 62a_100015193705_100009813815 [0,0,0,0,0,1|2,0,0]=3 1611 B20R3.2725 c1ccc2c(noc2c1)SCCc3ccncc3 62a_100000723409_200000703156 [0,0,0,0,0,1|2,0,0]=3 1612 B20R3.2725 c1ccc2c(noc2c1)SCCc3ccncc3 62a_200000703156_100000723409 [0,0,0,0,0,1|2,0,0]=3 1613 B20R3.2725 c1ccn2c(cnc2c1)CNCc3ccncc3 207a_100015187830_100000186114 [0,0,0,0,0,1|1,0,1]=3 1614 B20R3.2725 c1ccn2c(cnc2c1)CNCc3ccncc3 2230a_100015187830_100015193705 [0,0,0,0,0,1|1,0,1]=3 1615 B20R3.2725 c1ccn2c(cnc2c1)CNCc3ccnnc3 270004a_100015187830_100011934578 [0,0,0,0,0,1|2,0,1]=4 1616 B20R3.2725 c1ccn2c(cnc2c1)SCCc3ccncc3 62a_100000723409_100011219245 [0,0,0,0,0,1|1,0,1]=3 1617 B20R3.2725 c1ccn2c(nnc2c1)CNCc3ccncc3 2230a_100020603313_100015193705 [0,0,0,0,0,1|2,0,1]=4 1618 B20R3.2725 c1ccn2c(nnc2c1)CSCc3ccncc3 62a_100000037651_100015193705 [0,0,0,0,0,1|2,0,1]=4 1619 B20R3.2725 c1ccn2c(nnc2c1)CSCc3ccncc3 62a_100015193705_100000037651 [0,0,0,0,0,1|2,0,1]=4 1620 B20R3.2725 c1ccn2c(nnc2c1)SCCc3ccncc3 62a_100000699609_100000723409 [0,0,0,0,0,1|2,0,1]=4 1621 B20R3.2725 c1ccn2c(nnc2c1)SCCc3ccncc3 62a_100000723409_100000699609 [0,0,0,0,0,1|2,0,1]=4 1622 B20R3.2725 c1ccn2cnc(c2c1)SCCc3ccncc3 62a_100000723409_100010892795 [0,0,0,0,0,1|3,0,0]=4 1623 B20R3.2725 c1ccn2ncc(c2c1)SCCc3ccncc3 62a_100000723409_100009817726 [0,0,0,0,0,1|1,0,1]=3 1624 B20R3.2725 c1cnc(nc1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100011532527 [0,0,0,0,0,1|3,0,0]=4 1625 B20R3.2725 c1cnc(nc1)NCCc2c[nH]c3c2cccc3 27a_100000211132_100000211032 [0,0,0,0,0,1|3,0,0]=4 1626 B20R3.2725 c1cnc(nc1)SCCc2c[nH]c3c2cccc3 62a_100000211032_100011218569 [0,0,0,0,0,1|3,0,0]=4 1627 B20R3.2725 c1cnc2[nH]cc(c2c1)CCSc3ccncc3 62a_100000728582_100009895007 [0,0,0,0,0,1|1,0,0]=2 1628 B20R3.2725 c1cnc2[nH]cc(c2c1)CCSc3ccncn3 62a_100000703185_100009895007 [0,0,0,0,0,1|2,0,0]=3 1629 B20R3.2725 c1cnc2[nH]cc(c2c1)CCSc3ccnnc3 62a_100000732662_100009895007 [0,0,0,0,0,1|2,0,0]=3 1630 B20R3.2725 c1cnc2[nH]cc(c2c1)CCSc3cnnnc3 62a_100009846058_100009895007 [0,0,0,0,0,1|3,0,0]=4 1631 B20R3.2725 c1cnc2[nH]cc(c2c1)SCCc3ccncc3 62a_100000723409_100011934613 [0,0,0,0,0,1|1,0,0]=2 1632 B20R3.2725 c1cnc2[nH]nc(c2c1)NCCc3ccncc3 27a_100000742849_100009818534 [0,0,0,0,0,1|2,0,0]=3 1633 B20R3.2725 c1cnc2[nH]nc(c2c1)SCCc3ccncc3 62a_100000723409_100009888962 [0,0,0,0,0,1|2,0,0]=3 1634 B20R3.2725 c1cnc2c(c[nH]c2c1)SCCc3ccncc3 62a_100000723409_100009817151 [0,0,0,0,0,1|1,0,0]=2 1635 B20R3.2725 c1cnc2c(cnn2c1)NCCc3ccncc3 27a_100000742849_100009819579 [0,0,0,0,0,1|2,0,1]=4 1636 B20R3.2725 c1cnc2c(cnn2c1)SCCc3ccncc3 62a_100000723409_100009819579 [0,0,0,0,0,1|2,0,1]=4 1637 B20R3.2725 c1cnc2c(coc2c1)SCCc3ccncc3 62a_100000723409_100009889148 [0,0,0,0,0,1|2,0,0]=3 1638 B20R3.2725 c1cnc2c(csc2c1)SCCc3ccncc3 62a_100000723409_100010247092 [0,0,0,0,0,1|2,0,0]=3 1639 B20R3.2725 c1cnc2c(n[nH]c2c1)NCCc3ccncc3 27a_100000742849_100009817118 [0,0,0,0,0,1|2,0,0]=3 1640 B20R3.2725 c1cnc2c(n[nH]c2c1)SCCc3ccncc3 62a_100000723409_100009817118 [0,0,0,0,0,1|2,0,0]=3 1641 B20R3.2725 c1cnc2ncc(n2c1)SCCc3ccncc3 62a_100000723409_100011934454 [0,0,0,0,0,1|2,0,1]=4 1642 B20R3.2725 c1cnc2ncc(n2c1)SCCc3ccncc3 62a_100011934454_100000723409 [0,0,0,0,0,1|2,0,1]=4 1643 B20R3.2725 c1cnc2scc(c2c1)SCCc3ccncc3 62a_100000723409_100009830249 [0,0,0,0,0,1|2,0,0]=3 1644 B20R3.2725 c1cnc2scc(c2c1)SCCc3ccncc3 62a_100009830249_100000723409 [0,0,0,0,0,1|2,0,0]=3 1645 B20R3.2725 c1cncc(c1)CCOc2csc3c2cccc3 7a_100000077758_200011713674 [0,0,0,0,0,1|3,0,0]=4 1646 B20R3.2725 c1cncc(c1)CCSc2c[nH]c3c2cccn3 62a_200011713674_100011934613 [0,0,0,0,0,1|3,0,0]=4 1647 B20R3.2725 c1cncc(c1)CCSc2c[nH]c3c2ccnc3 62a_200011713674_100010232032 [0,0,0,0,0,1|3,0,0]=4 1648 B20R3.2725 c1cncc(c1)CCSc2c[nH]c3c2cncc3 62a_200011713674_100000753697 [0,0,0,0,0,1|3,0,0]=4 1649 B20R3.2725 c1cncc(c1)CCSc2c[nH]c3c2nccc3 62a_200011713674_100009817151 [0,0,0,0,0,1|3,0,0]=4 1650 B20R3.2725 c1cncc(c1)CCSc2coc3c2cccc3 62a_200011713674_100009812202 [0,0,0,0,0,1|3,0,0]=4 1651 B20R3.2725 c1cncc(c1)CCSc2csc3c2cccc3 62a_200011713674_100009813928 [0,0,0,0,0,1|3,0,0]=4 1652 B20R3.2725 c1cncc(c1)CCSc2n[nH]c3c2cccc3 62a_200011713674_100000050141 [0,0,0,0,0,1|3,0,0]=4 1653 B20R3.2725 c1cncc(c1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000209961 [0,0,0,0,0,1|2,0,0]=3 1654 B20R3.2725 c1cncc(c1)CNCc2c[nH]c3c2ccnc3 270004a_100000210453_100000087688 [0,0,0,0,0,1|3,0,0]=4 1655 B20R3.2725 c1cncc(c1)CNCc2coc3c2cccc3 207a_100000210453_100000688544 [0,0,0,0,0,1|3,0,0]=4 1656 B20R3.2725 c1cncc(c1)CNCc2coc3c2cccc3 270004a_100000210453_100000688544 [0,0,0,0,0,1|3,0,0]=4 1657 B20R3.2725 c1cncc(c1)CNCc2csc3c2cccc3 207a_100000210453_100000239721 [0,0,0,0,0,1|3,0,0]=4 1658 B20R3.2725 c1cncc(c1)CNCc2csc3c2cccc3 207a_100000744611_100000209961 [0,0,0,0,0,1|3,0,0]=4 1659 B20R3.2725 c1cncc(c1)CNCc2csc3c2cccc3 270004a_100000210453_100000239721 [0,0,0,0,0,1|3,0,0]=4 1660 B20R3.2725 c1cncc(c1)CNCc2csc3c2cccc3 270004a_100000744611_100000209961 [0,0,0,0,0,1|3,0,0]=4 1661 B20R3.2725 c1cncc(c1)CNCc2csc3c2cccc3 34a_100000744611_100000733263 [0,0,0,0,0,1|3,0,0]=4 1662 B20R3.2725 c1cncc(c1)CNCc2n[nH]c3c2cccc3 207a_100000210453_100000059708 [0,0,0,0,0,1|3,0,0]=4 1663 B20R3.2725 c1cncc(c1)CNCc2n[nH]c3c2cccc3 270004a_100000210453_100000059708 [0,0,0,0,0,1|3,0,0]=4 1664 B20R3.2725 c1cncc(c1)COCc2csc3c2cccc3 34a_100011219454_100000733263 [0,0,0,0,0,1|3,0,0]=4 1665 B20R3.2725 c1cncc(c1)CSCc2csc3c2cccc3 62a_100000741622_200000742921 [0,0,0,0,0,1|3,0,0]=4 1666 B20R3.2725 c1cncc(c1)CSCc2csc3c2cccc3 62a_200000742921_100000741622 [0,0,0,0,0,1|3,0,0]=4 1667 B20R3.2725 c1cncc(c1)OCCc2c[nH]c3c2cccc3 34a_100000210849_100011218569 [0,0,0,0,0,1|2,0,0]=3 1668 B20R3.2725 c1cncc(c1)OCCc2c[nH]c3c2cccc3 7a_100000210849_100011218569 [0,0,0,0,0,1|2,0,0]=3 1669 B20R3.2725 c1cncc(c1)OCCc2c[nH]c3c2cccn3 7a_100000210849_100009895007 [0,0,0,0,0,1|3,0,0]=4 1670 B20R3.2725 c1cncc(c1)SCCc2c[nH]c3c2cccc3 62a_100000210063_100011218569 [0,0,0,0,0,1|2,0,0]=3 1671 B20R3.2725 c1cncc(c1)SCCc2c[nH]c3c2cccn3 62a_100000210063_100009895007 [0,0,0,0,0,1|3,0,0]=4 1672 B20R3.2725 c1cnn2c(cnc2c1)NCCc3ccncc3 27a_100000742849_100009819068 [0,0,0,0,0,1|2,0,1]=4 1673 B20R3.2725 c1cnn2c(cnc2c1)SCCc3ccncc3 62a_100000723409_100009819068 [0,0,0,0,0,1|2,0,1]=4 1674 B20R3.2725 c1cnnc(c1)NCCc2c[nH]c3c2cccc3 27a_100000211132_100016991348 [0,0,0,0,0,1|3,0,0]=4 1675 B20R3.2725 c1cnnc(c1)SCCc2c[nH]c3c2cccc3 62a_100016991348_100011218569 [0,0,0,0,0,1|3,0,0]=4 1676 B20R3.30190 c1cc(ccn1)CNc2ccc3ccncc3c2 207a_100000069342_100000186114 [0,0,0,0,0,1|3,0,0]=4 1677 B20R3.30190 c1cc(ccn1)CNc2ccc3ccncc3n2 27a_100000210450_100000020162 [0,0,0,0,0,1|3,0,0]=4 1678 B20R3.30190 c1cc(ccn1)CNc2ccc3cnccc3c2 207a_100000039641_100000186114 [0,0,0,0,0,1|3,0,0]=4 1679 B20R3.30190 c1cc(ccn1)COc2ccc3ccncc3c2 7a_100000752006_100015193705 [0,0,0,0,0,1|3,0,0]=4 1680 B20R3.30190 c1cc(ccn1)COc2ccc3cnccc3c2 7a_100000046372_100015193705 [0,0,0,0,0,1|3,0,0]=4 1681 B20R3.30190 c1cc(ccn1)CSc2ccc3ccncc3c2 62a_100000686496_100015193705 [0,0,0,0,0,1|3,0,0]=4 1682 B20R3.30190 c1cc(ccn1)CSc2ccc3ccncc3c2 62a_100015193705_100000686496 [0,0,0,0,0,1|3,0,0]=4 1683 B20R3.30190 c1cc(ccn1)CSc2ccc3ccncc3n2 62a_100015193705_100000020162 [0,0,0,0,0,1|3,0,0]=4 1684 B20R3.30190 c1cc(ccn1)CSc2ccc3cnccc3c2 62a_100009816743_100015193705 [0,0,0,0,0,1|3,0,0]=4 1685 B20R3.30190 c1cc(ccn1)CSc2ccc3cnccc3c2 62a_100015193705_100009816743 [0,0,0,0,0,1|3,0,0]=4 1686 B20R3.30190 c1cc(ccn1)OCc2ccc3cnccc3c2 34a_100000212176_100020605334 [0,0,0,0,0,1|3,0,0]=4 1687 B20R3.30190 c1cc(ccn1)SCc2ccc3cnccc3c2 62a_100000728582_100020605334 [0,0,0,0,0,1|3,0,0]=4 1688 B20R3.30190 c1cc(ccn1)SCc2ccc3cnccc3c2 62a_100020605334_100000728582 [0,0,0,0,0,1|3,0,0]=4 1689 B20R3.30190 c1ccc(cc1)CNc2ccc3ccccc3c2 207a_100000211940_100015611070 [0,0,0,0,0,1|3,0,0]=4 1690 B20R3.30190 c1ccc(cc1)CNc2ccc3ccccc3c2 270302a_100000211940_100015611070 [0,0,0,0,0,1|3,0,0]=4 1691 B20R3.30190 c1ccc(cc1)CNc2ccc3ccccc3c2 34a_100000211940_100015291786 [0,0,0,0,0,1|3,0,0]=4 1692 B20R3.30190 c1ccc(cc1)CNc2ccc3ccccc3c2 7a_100000211940_100000211182 [0,0,0,0,0,1|3,0,0]=4 1693 B20R3.30190 c1ccc(cc1)CNc2ccc3ccccc3n2 27a_100015324214_100011291633 [0,0,0,0,0,1|3,0,0]=4 1694 B20R3.30190 c1ccc(cc1)CNc2cnc3ccccc3n2 27a_100015324214_100000756483 [0,0,0,0,0,1|2,0,1]=4 1695 B20R3.30190 c1ccc(cc1)COc2ccc3ccccc3c2 34a_100000185828_100015291786 [0,0,0,0,0,1|3,0,0]=4 1696 B20R3.30190 c1ccc(cc1)COc2ccc3ccccc3c2 7a_100000185828_100000211182 [0,0,0,0,0,1|3,0,0]=4 1697 B20R3.30190 c1ccc(cc1)COc2cnc3ccccc3c2 34a_100011934006_100015291786 [0,0,0,0,0,1|2,0,1]=4 1698 B20R3.30190 c1ccc(cc1)COc2cnc3ccccc3c2 7a_100011934006_100000211182 [0,0,0,0,0,1|2,0,1]=4 1699 B20R3.30190 c1ccc(cc1)CSc2ccc3ccccc3c2 62a_100000211182_100000233703 [0,0,0,0,0,1|3,0,0]=4 1700 B20R3.30190 c1ccc(cc1)CSc2ccc3ccccc3n2 62a_100000211182_100011291633 [0,0,0,0,0,1|3,0,0]=4 1701 B20R3.30190 c1ccc(cc1)CSc2ccc3ccccc3n2 62a_100011291633_100015291786 [0,0,0,0,0,1|3,0,0]=4 1702 B20R3.30190 c1ccc(cc1)CSc2cnc3ccccc3c2 62a_100000211182_100000737414 [0,0,0,0,0,1|2,0,1]=4 1703 B20R3.30190 c1ccc(cc1)CSc2cnc3ccccc3n2 62a_100000211182_100000756483 [0,0,0,0,0,1|2,0,1]=4 1704 B20R3.30190 c1ccc(cc1)CSc2cnc3ccccc3n2 62a_100000756483_100015291786 [0,0,0,0,0,1|2,0,1]=4 1705 B20R3.30190 c1ccc(cc1)NCc2ccc3ccccc3c2 207a_100000106764_100000211584 [0,0,0,0,0,1|3,0,0]=4 1706 B20R3.30190 c1ccc(cc1)NCc2ccc3ccccc3c2 270302a_100000106764_100000211584 [0,0,0,0,0,1|3,0,0]=4 1707 B20R3.30190 c1ccc(cc1)NCc2ccc3ccccc3c2 34a_100000106764_100011216711 [0,0,0,0,0,1|3,0,0]=4 1708 B20R3.30190 c1ccc(cc1)NCc2ccc3ccccc3n2 207a_100000106764_100000759686 [0,0,0,0,0,1|3,0,0]=4 1709 B20R3.30190 c1ccc(cc1)NCc2ccc3ccccc3n2 34a_100000106764_100000737579 [0,0,0,0,0,1|3,0,0]=4 1710 B20R3.30190 c1ccc(cc1)NCc2cnc3ccccc3c2 207a_100000106764_100000750898 [0,0,0,0,0,1|2,0,1]=4 1711 B20R3.30190 c1ccc(cc1)NCc2cnc3ccccc3c2 270302a_100000106764_100000750898 [0,0,0,0,0,1|2,0,1]=4 1712 B20R3.30190 c1ccc(cc1)OCc2ccc3ccccc3c2 34a_100000210340_100011216711 [0,0,0,0,0,1|3,0,0]=4 1713 B20R3.30190 c1ccc(cc1)OCc2ccc3ccccc3c2 7a_100000210340_100011216711 [0,0,0,0,0,1|3,0,0]=4 1714 B20R3.30190 c1ccc(cc1)OCc2ccc3ccccc3n2 34a_100000210340_100000737579 [0,0,0,0,0,1|3,0,0]=4 1715 B20R3.30190 c1ccc(cc1)OCc2ccc3ccccc3n2 7a_100000210340_100000737579 [0,0,0,0,0,1|3,0,0]=4 1716 B20R3.30190 c1ccc(cc1)OCc2cnc3ccccc3n2 7a_100000210340_200000751123 [0,0,0,0,0,1|2,0,1]=4 1717 B20R3.30190 c1ccc(cc1)SCc2ccc3ccccc3c2 62a_100000719477_100011216711 [0,0,0,0,0,1|3,0,0]=4 1718 B20R3.30190 c1ccc(cc1)SCc2ccc3ccccc3c2 62a_100011216711_100000041952 [0,0,0,0,0,1|3,0,0]=4 1719 B20R3.30190 c1ccc(cc1)SCc2ccc3ccccc3n2 62a_100000719477_100000737579 [0,0,0,0,0,1|3,0,0]=4 1720 B20R3.30190 c1ccc(cc1)SCc2ccc3ccccc3n2 62a_100000737579_100000041952 [0,0,0,0,0,1|3,0,0]=4 1721 B20R3.30190 c1ccc(cc1)SCc2cnc3ccccc3n2 62a_100000719477_200000751123 [0,0,0,0,0,1|2,0,1]=4 1722 B20R3.30190 c1ccc(cc1)SCc2cnc3ccccc3n2 62a_200000751123_100000041952 [0,0,0,0,0,1|2,0,1]=4 1723 B20R3.30190 c1ccc2c(c1)CCN(C2)CCc3ccncc3 2230a_100000188457_100000723409 [0,0,0,0,0,1|2,0,1]=4 1724 B20R3.30190 c1ccc2c(c1)CCN(C2)CCc3ccncc3 269982a_100000188457_100000723409 [0,0,0,0,0,1|2,0,1]=4 1725 B20R3.30190 c1ccc2cc(ccc2c1)CNc3ccncn3 27a_100000739491_100000703185 [0,0,0,0,0,1|3,0,0]=4 1726 B20R3.30190 c1ccc2cc(ccc2c1)COc3ccncc3 34a_100000212176_100011216711 [0,0,0,0,0,1|2,0,0]=3 1727 B20R3.30190 c1ccc2cc(ccc2c1)COc3ccnnc3 34a_100015204005_100011216711 [0,0,0,0,0,1|3,0,0]=4 1728 B20R3.30190 c1ccc2cc(ccc2c1)CSc3ccncc3 62a_100000728582_100011216711 [0,0,0,0,0,1|2,0,0]=3 1729 B20R3.30190 c1ccc2cc(ccc2c1)CSc3ccncc3 62a_100011216711_100000728582 [0,0,0,0,0,1|2,0,0]=3 1730 B20R3.30190 c1ccc2cc(ccc2c1)CSc3ccncn3 62a_100000703185_100011216711 [0,0,0,0,0,1|3,0,0]=4 1731 B20R3.30190 c1ccc2cc(ccc2c1)CSc3ccncn3 62a_100011216711_100000703185 [0,0,0,0,0,1|3,0,0]=4 1732 B20R3.30190 c1ccc2cc(ccc2c1)CSc3ccnnc3 62a_100000732662_100011216711 [0,0,0,0,0,1|3,0,0]=4 1733 B20R3.30190 c1ccc2cc(ccc2c1)CSc3ccnnc3 62a_100011216711_100000732662 [0,0,0,0,0,1|3,0,0]=4 1734 B20R3.30190 c1ccc2cc(ccc2c1)NCc3ccncc3 207a_100000211940_100000186114 [0,0,0,0,0,1|2,0,0]=3 1735 B20R3.30190 c1ccc2cc(ccc2c1)NCc3ccncc3 7a_100000211940_100015193705 [0,0,0,0,0,1|2,0,0]=3 1736 B20R3.30190 c1ccc2cc(ccc2c1)NCc3ccnnc3 270302a_100000211940_100011934578 [0,0,0,0,0,1|3,0,0]=4 1737 B20R3.30190 c1ccc2cc(ccc2c1)OCc3ccncc3 7a_100000185828_100015193705 [0,0,0,0,0,1|2,0,0]=3 1738 B20R3.30190 c1ccc2cc(ccc2c1)SCc3ccncc3 62a_100015193705_100000233703 [0,0,0,0,0,1|2,0,0]=3 1739 B20R3.30190 c1ccc2cc(ncc2c1)COc3ccncc3 34a_100000212176_100009869231 [0,0,0,0,0,1|3,0,0]=4 1740 B20R3.30190 c1ccc2cc(ncc2c1)CSc3ccncc3 62a_100000728582_100009869231 [0,0,0,0,0,1|3,0,0]=4 1741 B20R3.30190 c1ccc2cc(ncc2c1)CSc3ccncc3 62a_100009869231_100000728582 [0,0,0,0,0,1|3,0,0]=4 1742 B20R3.30190 c1ccc2cc(ncc2c1)SCc3ccncc3 62a_100009816522_100015193705 [0,0,0,0,0,1|3,0,0]=4 1743 B20R3.30190 c1ccc2cc(ncc2c1)SCc3ccncc3 62a_100015193705_100000047361 [0,0,0,0,0,1|3,0,0]=4 1744 B20R3.30190 c1ccc2nc(ccc2c1)CNc3ccncn3 27a_100015185970_100000703185 [0,0,0,0,0,1|3,0,0]=4 1745 B20R3.30190 c1ccc2nc(ccc2c1)COc3ccncc3 34a_100000212176_100000737579 [0,0,0,0,0,1|2,0,0]=3 1746 B20R3.30190 c1ccc2nc(ccc2c1)COc3ccnnc3 34a_100015204005_100000737579 [0,0,0,0,0,1|3,0,0]=4 1747 B20R3.30190 c1ccc2nc(ccc2c1)CSc3ccncc3 62a_100000728582_100000737579 [0,0,0,0,0,1|2,0,0]=3 1748 B20R3.30190 c1ccc2nc(ccc2c1)CSc3ccncc3 62a_100000737579_100000728582 [0,0,0,0,0,1|2,0,0]=3 1749 B20R3.30190 c1ccc2nc(ccc2c1)CSc3ccncn3 62a_100000703185_100000737579 [0,0,0,0,0,1|3,0,0]=4 1750 B20R3.30190 c1ccc2nc(ccc2c1)CSc3ccncn3 62a_100000737579_100000703185 [0,0,0,0,0,1|3,0,0]=4 1751 B20R3.30190 c1ccc2nc(ccc2c1)CSc3ccnnc3 62a_100000732662_100000737579 [0,0,0,0,0,1|3,0,0]=4 1752 B20R3.30190 c1ccc2nc(ccc2c1)CSc3ccnnc3 62a_100000737579_100000732662 [0,0,0,0,0,1|3,0,0]=4 1753 B20R3.30190 c1ccc2nc(ccc2c1)NCc3ccncc3 27a_100000210450_100011291633 [0,0,0,0,0,1|2,0,0]=3 1754 B20R3.30190 c1ccc2nc(ccc2c1)NCc3ccncn3 27a_100000736019_100011291633 [0,0,0,0,0,1|3,0,0]=4 1755 B20R3.30190 c1ccc2nc(ccc2c1)SCc3ccncc3 62a_100011291633_100015193705 [0,0,0,0,0,1|2,0,0]=3 1756 B20R3.30190 c1ccc2nc(ccc2c1)SCc3ccncc3 62a_100015193705_100011291633 [0,0,0,0,0,1|2,0,0]=3 1757 B20R3.30190 c1ccc2nc(cnc2c1)CSc3ccncc3 62a_100000728582_200000751123 [0,0,0,0,0,1|1,0,1]=3 1758 B20R3.30190 c1ccc2nc(cnc2c1)CSc3ccncc3 62a_200000751123_100000728582 [0,0,0,0,0,1|1,0,1]=3 1759 B20R3.30190 c1ccc2nc(cnc2c1)CSc3ccncn3 62a_100000703185_200000751123 [0,0,0,0,0,1|2,0,1]=4 1760 B20R3.30190 c1ccc2nc(cnc2c1)CSc3ccncn3 62a_200000751123_100000703185 [0,0,0,0,0,1|2,0,1]=4 1761 B20R3.30190 c1ccc2nc(cnc2c1)CSc3ccnnc3 62a_100000732662_200000751123 [0,0,0,0,0,1|2,0,1]=4 1762 B20R3.30190 c1ccc2nc(cnc2c1)CSc3ccnnc3 62a_200000751123_100000732662 [0,0,0,0,0,1|2,0,1]=4 1763 B20R3.30190 c1ccc2nc(cnc2c1)NCc3ccncc3 27a_100000210450_100000756483 [0,0,0,0,0,1|1,0,1]=3 1764 B20R3.30190 c1ccc2nc(cnc2c1)NCc3ccncn3 27a_100000736019_100000756483 [0,0,0,0,0,1|2,0,1]=4 1765 B20R3.30190 c1ccc2nc(cnc2c1)SCc3ccncc3 62a_100000756483_100015193705 [0,0,0,0,0,1|1,0,1]=3 1766 B20R3.30190 c1ccc2nc(cnc2c1)SCc3ccncc3 62a_100015193705_100000756483 [0,0,0,0,0,1|1,0,1]=3 1767 B20R3.30190 c1ccc2nc(ncc2c1)COc3ccncc3 34a_100000212176_100009868571 [0,0,0,0,0,1|3,0,0]=4 1768 B20R3.30190 c1ccc2nc(ncc2c1)CSc3ccncc3 62a_100000728582_100009868571 [0,0,0,0,0,1|3,0,0]=4 1769 B20R3.30190 c1ccc2nc(ncc2c1)CSc3ccncc3 62a_100009868571_100000728582 [0,0,0,0,0,1|3,0,0]=4 1770 B20R3.30190 c1ccc2nc(ncc2c1)NCc3ccncc3 27a_100000210450_100000097389 [0,0,0,0,0,1|3,0,0]=4 1771 B20R3.30190 c1ccc2nc(ncc2c1)SCc3ccncc3 62a_100015193705_100000097389 [0,0,0,0,0,1|3,0,0]=4 1772 B20R3.30190 c1ccc2ncc(cc2c1)CNc3ccncn3 27a_100000742225_100000703185 [0,0,0,0,0,1|2,0,1]=4 1773 B20R3.30190 c1ccc2ncc(cc2c1)OCc3ccncc3 7a_100011934006_100015193705 [0,0,0,0,0,1|1,0,1]=3 1774 B20R3.30190 c1ccc2ncc(cc2c1)SCc3ccncc3 62a_100015193705_100000737414 [0,0,0,0,0,1|1,0,1]=3 1775 B20R3.30190 c1cnc2cc(ccc2c1)NCc3ccncc3 207a_100102887122_100000186114 [0,0,0,0,0,1|3,0,0]=4 1776 B20R3.30190 c1cnc2cc(ccc2c1)SCc3ccncc3 62a_100015193705_100009816655 [0,0,0,0,0,1|3,0,0]=4 1777 B20R3.30190 c1cnc2cc(cnc2c1)SCc3ccncc3 62a_100010246316_100015193705 [0,0,0,0,0,1|2,0,1]=4 1778 B20R3.30190 c1cnc2cc(cnc2c1)SCc3ccncc3 62a_100015193705_100010246316 [0,0,0,0,0,1|2,0,1]=4 1779 B20R3.30190 c1cnc2ccc(cc2c1)COc3ccncc3 34a_100000212176_100000703657 [0,0,0,0,0,1|3,0,0]=4 1780 B20R3.30190 c1cnc2ccc(cc2c1)CSc3ccncc3 62a_100000703657_100000728582 [0,0,0,0,0,1|3,0,0]=4 1781 B20R3.30190 c1cnc2ccc(cc2c1)CSc3ccncc3 62a_100000728582_100000703657 [0,0,0,0,0,1|3,0,0]=4 1782 B20R3.30190 c1cnc2ccc(cc2c1)NCc3ccncc3 207a_100011198106_100000186114 [0,0,0,0,0,1|3,0,0]=4 1783 B20R3.30190 c1cnc2ccc(cc2c1)OCc3ccncc3 7a_100011215586_100015193705 [0,0,0,0,0,1|3,0,0]=4 1784 B20R3.30190 c1cnc2ccc(cc2c1)SCc3ccncc3 62a_100011215947_100015193705 [0,0,0,0,0,1|3,0,0]=4 1785 B20R3.30190 c1cnc2ccc(cc2c1)SCc3ccncc3 62a_100015193705_100011215947 [0,0,0,0,0,1|3,0,0]=4 1786 B20R3.30190 c1cnc2ccc(nc2c1)NCc3ccncc3 27a_100000210450_100000073381 [0,0,0,0,0,1|3,0,0]=4 1787 B20R3.30190 c1cnc2ccc(nc2c1)SCc3ccncc3 62a_100015193705_100000073381 [0,0,0,0,0,1|3,0,0]=4 1788 B20R3.30190 c1cnc2nc(ccc2c1)NCc3ccncc3 27a_100000210450_100000075685 [0,0,0,0,0,1|3,0,0]=4 1789 B20R3.30190 c1cnc2nc(ccc2c1)SCc3ccncc3 62a_100000075685_100015193705 [0,0,0,0,0,1|3,0,0]=4 1790 B20R3.30190 c1cnc2nc(ccc2c1)SCc3ccncc3 62a_100015193705_100000075685 [0,0,0,0,0,1|3,0,0]=4 1791 B20R3.30190 c1cnc2nc(cnc2c1)NCc3ccncc3 27a_100000210450_200010275043 [0,0,0,0,0,1|2,0,1]=4 1792 B20R3.30190 c1cnc2nc(cnc2c1)SCc3ccncc3 62a_100015193705_200010275043 [0,0,0,0,0,1|2,0,1]=4 1793 B20R3.30190 c1cnc2nc(cnc2c1)SCc3ccncc3 62a_200010275043_100015193705 [0,0,0,0,0,1|2,0,1]=4 1794 B20R3.30190 c1cnc2ncc(nc2c1)NCc3ccncc3 27a_100000210450_100000084304 [0,0,0,0,0,1|2,0,1]=4 1795 B20R3.30190 c1cnc2ncc(nc2c1)SCc3ccncc3 62a_100000084304_100015193705 [0,0,0,0,0,1|2,0,1]=4 1796 B20R3.30190 c1cnc2ncc(nc2c1)SCc3ccncc3 62a_100015193705_100000084304 [0,0,0,0,0,1|2,0,1]=4 1797 B17R2.6 C=CCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000210193_100011218569 [1,0,1,0,0,0|1,0,1]=4 1798 B17R2.6 C=CCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_100000210623 [1,0,1,0,0,0|1,0,1]=4 1799 B17R2.6 CC=CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000210699_100011218569 [1,0,1,0,0,0|1,0,1]=4 1800 B17R2.6 O=C(C=CBr)CCc1c[nH]c2c1cccc2 1458a_100016273825_100011218569 [1,0,1,0,0,0|2,0,0]=4 1801 B17R2.6 O=C(C=CCl)CCc1c[nH]c2c1cccc2 1458a_200016279998_100011218569 [1,0,1,0,0,0|2,0,0]=4 1802 B17R2.6 O=C(C=CI)CCc1c[nH]c2c1cccc2 1458a_100016256311_100011218569 [1,0,1,0,0,0|2,0,0]=4 1803 B17R2.3956 Brc1ccccc1OCCc2ccncc2 7a_100000181306_100000723409 [1,0,1,0,0,0|2,0,0]=4 1804 B17R2.3956 Brc1ccccc1SCCc2ccncc2 62a_100000695589_100000723409 [1,0,1,0,0,0|2,0,0]=4 1805 B17R2.3956 Brc1ccccc1SCCc2ccncc2 62a_100000723409_100000695589 [1,0,1,0,0,0|2,0,0]=4 1806 B17R2.3956 Cc1ccccc1OCCc2ccncc2 7a_100000210338_100000723409 [1,0,1,0,0,0|1,0,1]=4 1807 B17R2.3956 Cc1ccccc1SCCc2ccncc2 62a_100000210755_100000723409 [1,0,1,0,0,0|1,0,1]=4 1808 B17R2.3956 Cc1ccccc1SCCc2ccncc2 62a_100000723409_100000210755 [1,0,1,0,0,0|1,0,1]=4 1809 B17R2.3956 Clc1ccccc1OCCc2ccncc2 7a_100000210172_100000723409 [1,0,1,0,0,0|2,0,0]=4 1810 B17R2.3956 Clc1ccccc1SCCc2ccncc2 62a_100000723409_100000764095 [1,0,1,0,0,0|2,0,0]=4 1811 B17R2.3956 Clc1ccccc1SCCc2ccncc2 62a_100000764095_100000723409 [1,0,1,0,0,0|2,0,0]=4 1812 B17R2.3956 Fc1ccccc1OCCc2ccncc2 7a_100000210171_100000723409 [1,0,1,0,0,0|2,0,0]=4 1813 B17R2.3956 Fc1ccccc1SCCc2ccncc2 62a_100000723409_100011215700 [1,0,1,0,0,0|2,0,0]=4 1814 B17R2.3956 Fc1ccccc1SCCc2ccncc2 62a_100011215700_100000723409 [1,0,1,0,0,0|2,0,0]=4 1815 B17R2.3956 Ic1ccccc1OCCc2ccncc2 7a_100000739446_100000723409 [1,0,1,0,0,0|2,0,0]=4 1816 B17R2.3956 Nc1ccccc1C=CCc2ccccc2 271570a_200016263579_100000210017 [1,0,1,0,0,0|1,0,1]=4 1817 B17R2.3956 Nc1ccccc1OCCc2ccccc2 34a_100000185747_100000765856 [1,0,1,0,0,0|2,0,0]=4 1818 B17R2.3956 Nc1ccccc1OCCc2ccccc2 7a_100000185747_100000765856 [1,0,1,0,0,0|2,0,0]=4 1819 B17R2.3956 Nc1ccccc1OCCc2ccncc2 7a_100000185747_100000723409 [1,0,1,0,0,0|1,0,0]=3 1820 B17R2.3956 Nc1ccccc1SCCc2ccccc2 62a_100000210017_100011218657 [1,0,1,0,0,0|2,0,0]=4 1821 B17R2.3956 Nc1ccccc1SCCc2ccccc2 62a_100000765856_100000210017 [1,0,1,0,0,0|2,0,0]=4 1822 B17R2.3956 Nc1ccccc1SCCc2ccncc2 62a_100000210017_100000723409 [1,0,1,0,0,0|1,0,0]=3 1823 B17R2.3956 Nc1ccccc1SCCc2ccncc2 62a_100000723409_100000210017 [1,0,1,0,0,0|1,0,0]=3 1824 B17R2.3956 Nc1cccnc1SCCc2ccncc2 62a_100000688686_100000723409 [1,0,1,0,0,0|2,0,0]=4 1825 B17R2.3956 Nc1cccnc1SCCc2ccncc2 62a_100000723409_100000688686 [1,0,1,0,0,0|2,0,0]=4 1826 B17R2.3956 Nc1ccncc1SCCc2ccncc2 62a_100000047001_100000723409 [1,0,1,0,0,0|2,0,0]=4 1827 B17R2.3956 Nc1ccncc1SCCc2ccncc2 62a_100000723409_100000047001 [1,0,1,0,0,0|2,0,0]=4 1828 B17R2.3956 Nc1cnccc1SCCc2ccncc2 62a_100000723409_100000756074 [1,0,1,0,0,0|2,0,0]=4 1829 B17R2.3956 Nc1cnccc1SCCc2ccncc2 62a_100000756074_100000723409 [1,0,1,0,0,0|2,0,0]=4 1830 B17R2.3956 Nc1ncccc1OCCc2ccncc2 7a_100000211975_100000723409 [1,0,1,0,0,0|2,0,0]=4 1831 B17R2.3956 Nc1ncccc1SCCc2ccncc2 62a_100000045569_100000723409 [1,0,1,0,0,0|2,0,0]=4 1832 B17R2.3956 Nc1ncccc1SCCc2ccncc2 62a_100000723409_100000045569 [1,0,1,0,0,0|2,0,0]=4 1833 B17R2.3956 Oc1ccccc1SCCc2ccncc2 62a_100000723409_100000739446 [1,0,1,0,0,0|2,0,0]=4 1834 B17R2.3956 Oc1ccccc1SCCc2ccncc2 62a_100000739446_100000723409 [1,0,1,0,0,0|2,0,0]=4 1835 B17R2.2342 CN(CCc1ccncc1)c2ccccc2 2230a_100000210012_100000723409 [1,0,1,0,0,0|1,0,1]=4 1836 B17R2.2342 CN(CCc1ccncc1)c2ccccc2 269982a_100000210012_100000723409 [1,0,1,0,0,0|1,0,1]=4 1837 B17R2.2342 O=C(CCc1ccccc1)c2ccccc2 1458a_100000185807_100000765856 [1,0,1,0,0,0|2,0,0]=4 1838 B17R2.2342 O=C(CCc1ccncc1)c2ccccc2 1458a_100000185807_100000723409 [1,0,1,0,0,0|1,0,0]=3 1839 B17R2.2342 O=C(CSc1ccncc1)c2ccccc2 62a_100000211460_100000728582 [1,0,1,0,0,0|2,0,0]=4 1840 B17R2.2342 O=C(CSc1ccncc1)c2ccccc2 62a_100000728582_100000211460 [1,0,1,0,0,0|2,0,0]=4 1841 B17R2.2342 O=C(NCc1ccncc1)c2ccccc2 11a_100000210450_100000185807 [1,0,1,0,0,0|2,0,0]=4 1842 B17R2.2342 O=C(NCc1ccncc1)c2ccccc2 1626a_100000210450_100000185807 [1,0,1,0,0,0|2,0,0]=4 1843 B17R2.2342 O=C(NCc1ccncc1)c2ccccc2 240690a_100000210450_100000185807 [1,0,1,0,0,0|2,0,0]=4 1844 B17R2.2342 O=C(NCc1ccncc1)c2ccccc2 527a_100000210450_100000185807 [1,0,1,0,0,0|2,0,0]=4 1845 B19R2.27 C/C=C/C=CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000185730_100011218569 [0,1,1,0,0,0|1,0,1]=4 1846 B19R2.2694 C=Cc1ccc(cc1SCCc2ccncc2)F 62a_100000723409_100012354420 [0,1,1,0,0,0|2,0,0]=4 1847 B19R2.2694 C=Cc1ccc(cc1SCCc2ccncc2)F 62a_100012354420_100000723409 [0,1,1,0,0,0|2,0,0]=4 1848 B19R2.2694 CNc1ccc(cc1SCCc2ccncc2)C 62a_100000221369_100000723409 [0,1,1,0,0,0|1,0,1]=4 1849 B19R2.2694 CNc1ccc(cc1SCCc2ccncc2)C 62a_100000723409_100000221369 [0,1,1,0,0,0|1,0,1]=4 1850 B19R2.2694 CNc1ccc(cc1SCCc2ccncc2)F 62a_100000723409_100011246292 [0,1,1,0,0,0|1,0,1]=4 1851 B19R2.2694 CNc1ccc(cc1SCCc2ccncc2)F 62a_100011246292_100000723409 [0,1,1,0,0,0|1,0,1]=4 1852 B19R2.2694 Cc1ccc(c(c1)SCCc2ccncc2)NN 62a_100000723409_100016996181 [0,1,1,0,0,0|2,0,0]=4 1853 B19R2.2694 Cc1ccc(c(c1)SCCc2ccncc2)NN 62a_100016996181_100000723409 [0,1,1,0,0,0|2,0,0]=4 1854 B19R2.2815 C=Cc1cc(ccc1SCCc2ccncc2)F 62a_100000723409_100012356183 [0,1,1,0,0,0|2,0,0]=4 1855 B19R2.2815 C=Cc1cc(ccc1SCCc2ccncc2)F 62a_100012356183_100000723409 [0,1,1,0,0,0|2,0,0]=4 1856 B19R2.2815 CNc1cc(ccc1SCCc2ccncc2)F 62a_100000723409_100020633008 [0,1,1,0,0,0|1,0,1]=4 1857 B19R2.2815 CNc1cc(ccc1SCCc2ccncc2)F 62a_100020633008_100000723409 [0,1,1,0,0,0|1,0,1]=4 1858 B19R2.2815 NNc1cc(ccc1SCCc2ccncc2)F 62a_100000723409_100012362518 [0,1,1,0,0,0|2,0,0]=4 1859 B19R2.2815 NNc1cc(ccc1SCCc2ccncc2)F 62a_100012362518_100000723409 [0,1,1,0,0,0|2,0,0]=4 1860 B19R2.3421 C#Cc1ccccc1C(=O)CCc2ccncc2 1458a_100011243808_100000723409 [0,1,1,0,0,0|1,0,1]=4 1861 B19R2.3421 C=Cc1ccccc1C(=O)CCc2ccccc2 1458a_100011830265_100000765856 [0,1,1,0,0,0|2,0,0]=4 1862 B19R2.3421 C=Cc1ccccc1C(=O)CCc2ccncc2 1458a_100011830265_100000723409 [0,1,1,0,0,0|1,0,0]=3 1863 B19R2.3421 C=Cc1ccccc1C(=O)NCc2ccncc2 1626a_100000210450_100011830265 [0,1,1,0,0,0|2,0,0]=4 1864 B19R2.3421 CCc1ccccc1C(=O)CCc2ccncc2 1458a_100000689120_100000723409 [0,1,1,0,0,0|1,0,1]=4 1865 B19R2.3421 COc1ccccc1C(=O)CCc2ccncc2 1458a_100000185835_100000723409 [0,1,1,0,0,0|1,0,1]=4 1866 B19R2.3421 CSc1ccccc1C(=O)CCc2ccncc2 1458a_100000183967_100000723409 [0,1,1,0,0,0|1,0,1]=4 1867 B19R2.3421 N#Cc1ccccc1C(=O)CCc2ccncc2 1458a_100000742908_100000723409 [0,1,1,0,0,0|2,0,0]=4 1868 B19R2.3421 O=C(CCc1ccncc1)c2ccccc2CO 1458a_100011301526_100000723409 [0,1,1,0,0,0|2,0,0]=4 1869 B19R2.3421 O=Ic1ccccc1C(=O)CCc2ccncc2 1458a_100000032414_100000723409 [0,1,1,0,0,0|2,0,0]=4 1870 B19R2.3834 CNc1c(cccc1SCCc2ccncc2)N 62a_100010510394_100000723409 [0,1,1,0,0,0|1,0,1]=4 1871 B19R2.3834 NNc1c(cccc1SCCc2ccncc2)F 62a_100000723409_100016994982 [0,1,1,0,0,0|2,0,0]=4 1872 B19R2.3834 NNc1c(cccc1SCCc2ccncc2)F 62a_100016994982_100000723409 [0,1,1,0,0,0|2,0,0]=4 1873 B19R2.6241 C/C=C/c1ccccc1OCCc2ccncc2 7a_200000189419_100000723409 [0,1,1,0,0,0|2,0,0]=4 1874 B19R2.6241 C=CCc1ccccc1NCCc2ccncc2 2230a_200138433279_100000723409 [0,1,1,0,0,0|2,0,0]=4 1875 B19R2.6241 C=CCc1ccccc1OCCc2ccncc2 7a_100000211836_100000723409 [0,1,1,0,0,0|2,0,0]=4 1876 B19R2.6241 C=CCc1ccccc1SCCc2ccncc2 62a_100000723409_100009828059 [0,1,1,0,0,0|2,0,0]=4 1877 B19R2.6241 C=CCc1ccccc1SCCc2ccncc2 62a_100009828059_100000723409 [0,1,1,0,0,0|2,0,0]=4 1878 B19R2.6241 CCNc1ccccc1OCCc2ccncc2 7a_103624766699_100000723409 [0,1,1,0,0,0|1,0,1]=4 1879 B19R2.6241 CCNc1ccccc1SCCc2ccncc2 62a_100000723409_114873767003 [0,1,1,0,0,0|1,0,1]=4 1880 B19R2.6241 CCNc1ccccc1SCCc2ccncc2 62a_114873767003_100000723409 [0,1,1,0,0,0|1,0,1]=4 1881 B19R2.6241 CNCc1ccccc1SCCc2ccncc2 62a_100000184654_100000723409 [0,1,1,0,0,0|1,0,1]=4 1882 B19R2.6241 CNCc1ccccc1SCCc2ccncc2 62a_100000723409_100000184654 [0,1,1,0,0,0|1,0,1]=4 1883 B19R2.6241 N#CNc1ccccc1SCCc2ccncc2 62a_100000723409_100011685340 [0,1,1,0,0,0|1,0,1]=4 1884 B19R2.6241 NNCc1ccccc1SCCc2ccncc2 62a_100000723409_200016993956 [0,1,1,0,0,0|2,0,0]=4 1885 B19R2.6241 NNCc1ccccc1SCCc2ccncc2 62a_200016993956_100000723409 [0,1,1,0,0,0|2,0,0]=4 1886 B19R2.6241 O=CNc1ccccc1SCCc2ccccc2 62a_100000765856_200020615051 [0,1,1,0,0,0|2,0,0]=4 1887 B19R2.6241 O=CNc1ccccc1SCCc2ccccc2 62a_200020615051_100011218657 [0,1,1,0,0,0|2,0,0]=4 1888 B19R2.6241 O=CNc1ccccc1SCCc2ccncc2 62a_100000723409_200020615051 [0,1,1,0,0,0|1,0,0]=3 1889 B19R2.6241 O=CNc1ccccc1SCCc2ccncc2 62a_200020615051_100000723409 [0,1,1,0,0,0|1,0,0]=3 1890 B19R2.8826 CN(C)c1ccccc1SCCc2ccncc2 62a_100000723409_100011290883 [0,1,1,0,0,0|1,0,1]=4 1891 B19R2.8826 CN(C)c1ccccc1SCCc2ccncc2 62a_100011290883_100000723409 [0,1,1,0,0,0|1,0,1]=4 1892 B19R2.4361 Brc1cccc(c1)NN=CCCc2ccccc2 4a_100000217339_100000198083 [0,1,1,0,0,0|2,0,0]=4 1893 B19R2.4361 Cc1cccc(c1)NCCCCc2ccncc2 2230a_100000188690_100020630000 [0,1,1,0,0,0|0,0,2]=4 1894 B19R2.4361 Cc1cccc(c1)NN=CCCc2ccccc2 4a_100000681630_100000198083 [0,1,1,0,0,0|2,0,0]=4 1895 B19R2.4361 Clc1cccc(c1)NN=CCCc2ccccc2 4a_100000184277_100000198083 [0,1,1,0,0,0|2,0,0]=4 1896 B19R2.4361 Fc1cccc(c1)NN=CCCc2ccccc2 4a_100000745080_100000198083 [0,1,1,0,0,0|2,0,0]=4 1897 B19R2.4361 Ic1cccc(c1)NN=CCCc2ccccc2 4a_100020605690_100000198083 [0,1,1,0,0,0|2,0,0]=4 1898 B19R2.4484 Brc1ccccc1CCC=NNc2ccccc2 4a_100015195140_100011713448 [0,1,1,0,0,0|2,0,0]=4 1899 B19R2.4484 Brc1ccccc1NN=CCCc2ccccc2 4a_100000241748_100000198083 [0,1,1,0,0,0|2,0,0]=4 1900 B19R2.4484 Cc1ccccc1NN=CCCc2ccccc2 4a_100000184220_100000198083 [0,1,1,0,0,0|2,0,0]=4 1901 B19R2.4484 Clc1ccccc1NN=CCCc2ccccc2 4a_100000683529_100000198083 [0,1,1,0,0,0|2,0,0]=4 1902 B19R2.4484 Fc1ccccc1CCC=NNc2ccccc2 4a_100015195140_100011713414 [0,1,1,0,0,0|2,0,0]=4 1903 B19R2.4484 Fc1ccccc1NN=CCCc2ccccc2 4a_100000239246_100000198083 [0,1,1,0,0,0|2,0,0]=4 1904 B19R2.4484 Ic1ccccc1NN=CCCc2ccccc2 4a_100011218156_100000198083 [0,1,1,0,0,0|2,0,0]=4 1905 B19R2.8899 CC(CC=NNc1ccccc1)c2ccccc2 4a_100015195140_100000189432 [0,1,1,0,0,0|2,0,0]=4 1906 B19R2.8899 CN(CCCCc1ccncc1)c2ccccc2 2230a_100000210012_100020630000 [0,1,1,0,0,0|0,0,2]=4 1907 B19R2.8899 CN(CCCCc1ccncc1)c2ccccc2 269982a_100000210012_100020630000 [0,1,1,0,0,0|0,0,2]=4 1908 B19R2.8900 O=C(C=CSc1ccccc1)Cc2ccncc2 1458a_100016262050_100000705612 [0,1,1,0,0,0|1,0,1]=4 1909 B19R2.8900 O=C(CCCc1ccccc1)Nc2ccccc2 11a_100000106764_100011207963 [0,1,1,0,0,0|1,0,1]=4 1910 B19R2.8900 O=C(CCCc1ccccc1)Nc2ccccc2 1626a_100000106764_100011207963 [0,1,1,0,0,0|1,0,1]=4 1911 B19R2.8900 O=C(CCCc1ccccc1)Nc2ccccc2 22a_100000106764_100011207963 [0,1,1,0,0,0|1,0,1]=4 1912 B19R2.8900 O=C(CCCc1ccccc1)Nc2ccccc2 527a_100000106764_100011207963 [0,1,1,0,0,0|1,0,1]=4 1913 B19R2.8900 O=C(CCCc1ccncc1)Cc2ccccc2 1458a_100020654287_100015291786 [0,1,1,0,0,0|1,0,1]=4 1914 B19R2.8900 O=C(CCCc1ccncc1)Nc2ccccc2 11a_100000106764_100020654287 [0,1,1,0,0,0|0,0,1]=3 1915 B19R2.8900 O=C(CCCc1ccncc1)Nc2ccccc2 1626a_100000106764_100020654287 [0,1,1,0,0,0|0,0,1]=3 1916 B19R2.8900 O=C(CCCc1ccncc1)Nc2ccccc2 22a_100000106764_100020654287 [0,1,1,0,0,0|0,0,1]=3 1917 B19R2.8900 O=C(CCCc1ccncc1)Nc2ccccc2 527a_100000106764_100020654287 [0,1,1,0,0,0|0,0,1]=3 1918 B19R2.8900 O=C(CCOc1ccncc1)Nc2ccccc2 34a_100000212176_100000242058 [0,1,1,0,0,0|1,0,1]=4 1919 B19R2.8900 O=C(CCSc1ccncc1)Nc2ccccc2 62a_100000728582_100000242058 [0,1,1,0,0,0|1,0,1]=4 1920 B19R2.8900 O=C(CSCc1ccncc1)Nc2ccccc2 1626a_100000106764_100000742635 [0,1,1,0,0,0|1,0,1]=4 1921 B19R2.8900 O=C(CSCc1ccncc1)Nc2ccccc2 22a_100000106764_100000742635 [0,1,1,0,0,0|1,0,1]=4 1922 B19R2.8900 O=C(CSCc1ccncc1)Nc2ccccc2 527a_100000106764_100000742635 [0,1,1,0,0,0|1,0,1]=4 1923 B19R2.8900 O=C(CSCc1ccncc1)Nc2ccccc2 62a_100012148978_100015193705 [0,1,1,0,0,0|1,0,1]=4 1924 B19R2.8900 O=C(CSCc1ccncc1)Nc2ccccc2 62a_100015193705_100000182850 [0,1,1,0,0,0|1,0,1]=4 1925 B19R2.8900 O=C(NCCc1ccccc1)Nc2ccccc2 2430a_100000106764_100000106460 [0,1,1,0,0,0|2,0,0]=4 1926 B19R2.8900 O=C(NCCc1ccncc1)Nc2ccccc2 2430a_100000106764_100000742849 [0,1,1,0,0,0|1,0,0]=3 1927 B19R2.11855 Brc1ccc(cc1)CCC=NNc2ccccc2 4a_100015195140_100011361538 [0,1,1,0,0,0|2,0,0]=4 1928 B19R2.11855 Brc1ccc(cc1)NCCCCc2ccncc2 2230a_100000210018_100020630000 [0,1,1,0,0,0|0,0,2]=4 1929 B19R2.11855 Brc1ccc(cc1)NN=CCCc2ccccc2 4a_100000735608_100000198083 [0,1,1,0,0,0|2,0,0]=4 1930 B19R2.11855 Cc1ccc(cc1)NN=CCCc2ccccc2 4a_100000683527_100000198083 [0,1,1,0,0,0|2,0,0]=4 1931 B19R2.11855 Clc1ccc(cc1)NCCCCc2ccncc2 2230a_100000210052_100020630000 [0,1,1,0,0,0|0,0,2]=4 1932 B19R2.11855 Clc1ccc(cc1)NN=CCCc2ccccc2 4a_100000683521_100000198083 [0,1,1,0,0,0|2,0,0]=4 1933 B19R2.11855 Fc1ccc(cc1)CCC=NNc2ccccc2 4a_100015195140_100000727037 [0,1,1,0,0,0|2,0,0]=4 1934 B19R2.11855 Fc1ccc(cc1)NN=CCCc2ccccc2 4a_100000728448_100000198083 [0,1,1,0,0,0|2,0,0]=4 1935 B19R2.11855 Ic1ccc(cc1)NN=CCCc2ccccc2 4a_100016988836_100000198083 [0,1,1,0,0,0|2,0,0]=4 1936 B19R2.11855 Oc1ccc(cc1)CCC=NNc2ccccc2 4a_100015195140_200011361653 [0,1,1,0,0,0|2,0,0]=4 1937 B19R2.16162 CC(=NNc1ccccc1)CCc2ccccc2 4a_100015195140_100000210092 [0,1,1,0,0,0|2,0,0]=4 1938 B19R2.16162 O=C(C#Cc1ccccc1)CCc2ccncc2 1458a_100000736102_100000723409 [0,1,1,0,0,0|1,0,1]=4 1939 B19R2.16162 O=C(C=Cc1ccccc1)CCc2ccccc2 1458a_100000210462_100000765856 [0,1,1,0,0,0|2,0,0]=4 1940 B19R2.16162 O=C(C=Cc1ccccc1)CCc2ccncc2 1458a_100000210462_100000723409 [0,1,1,0,0,0|1,0,0]=3 1941 B19R2.16162 O=C(C=Cc1ccccc1)NCc2ccncc2 11a_100000210450_100000210462 [0,1,1,0,0,0|2,0,0]=4 1942 B19R2.16162 O=C(C=Cc1ccccc1)NCc2ccncc2 1626a_100000210450_100000210462 [0,1,1,0,0,0|2,0,0]=4 1943 B19R2.16162 O=C(C=Cc1ccccn1)CCc2ccncc2 1458a_100000740811_100000723409 [0,1,1,0,0,0|2,0,0]=4 1944 B19R2.16162 O=C(C=Cc1cccnc1)CCc2ccncc2 1458a_100000735890_100000723409 [0,1,1,0,0,0|2,0,0]=4 1945 B19R2.16162 O=C(C=Cc1ccncc1)CCc2ccncc2 1458a_100000682801_100000723409 [0,1,1,0,0,0|2,0,0]=4 1946 B19R2.16162 O=C(CCc1ccccc1)CCc2ccncc2 1458a_100000185753_100000723409 [0,1,1,0,0,0|1,0,1]=4 1947 B19R2.16162 O=C(CCc1ccccc1)CCc2ccncc2 1458a_100011225043_100000765856 [0,1,1,0,0,0|1,0,1]=4 1948 B19R2.16162 O=C(CCc1ccccc1)CNc2ccccc2 34a_100000106764_100012361361 [0,1,1,0,0,0|1,0,1]=4 1949 B19R2.16162 O=C(CCc1ccccc1)NNc2ccccc2 22a_100015195140_100000185753 [0,1,1,0,0,0|2,0,0]=4 1950 B19R2.16162 O=C(CCc1ccncc1)COc2ccccc2 1458a_100000186222_100000723409 [0,1,1,0,0,0|1,0,1]=4 1951 B19R2.16162 O=C(CCc1ccncc1)CSc2ccccc2 1458a_100000211596_100000723409 [0,1,1,0,0,0|1,0,1]=4 1952 B19R2.16162 O=C(CCc1ccncc1)NCc2ccccc2 11a_100015324214_100011225043 [0,1,1,0,0,0|2,0,0]=4 1953 B19R2.16162 O=C(CCc1ccncc1)NCc2ccccc2 240690a_100015324214_100011225043 [0,1,1,0,0,0|2,0,0]=4 1954 B19R2.16162 O=C(CCc1ccncc1)NCc2ccccc2 527a_100015324214_100011225043 [0,1,1,0,0,0|2,0,0]=4 1955 B19R2.16162 O=C(CCc1ccncc1)NNc2ccccc2 22a_100015195140_100011225043 [0,1,1,0,0,0|1,0,0]=3 1956 B19R2.16162 O=C(CCc1ccncc1)NNc2ccccn2 22a_100000183288_100011225043 [0,1,1,0,0,0|2,0,0]=4 1957 B19R2.16162 O=C(CCc1ccncc1)NNc2cccnc2 22a_100000728903_100011225043 [0,1,1,0,0,0|2,0,0]=4 1958 B19R2.16162 O=C(CCc1ccncc1)NNc2ccncc2 22a_100000698918_100011225043 [0,1,1,0,0,0|2,0,0]=4 1959 B19R2.16162 O=C(CSc1ccncc1)NNc2ccccc2 22a_100015195140_100000211328 [0,1,1,0,0,0|2,0,0]=4 1960 B19R2.16162 O=C(NCc1ccncc1)NNc2ccccc2 273464a_100000210450_100015195140 [0,1,1,0,0,0|2,0,0]=4 1961 B19R2.2541 NC(=O)C(OCc1ccncc1)c2ccccc2 7a_100011200849_100015193705 [0,1,1,0,0,0|1,0,1]=4 1962 B19R2.2541 NC(=O)C(SCc1ccncc1)c2ccccc2 62a_100000188848_100015193705 [0,1,1,0,0,0|1,0,1]=4 1963 B19R2.2541 NC(=O)C(SCc1ccncc1)c2ccccc2 62a_100015193705_100000188848 [0,1,1,0,0,0|1,0,1]=4 1964 B19R2.2541 NC(=O)[C@H](NCc1ccncc1)c2ccccc2 207a_100011423151_100000186114 [0,1,1,0,0,0|1,0,1]=4 1965 B19R2.2541 NC(=O)[C@H](NCc1ccncc1)c2ccccc2 2230a_100011423151_100015193705 [0,1,1,0,0,0|1,0,1]=4 1966 B19R2.2794 C=CCN(CCc1ccncc1)c2ccccc2 2230a_100000211662_100000723409 [0,1,1,0,0,0|2,0,0]=4 1967 B19R2.2794 C=CCN(CCc1ccncc1)c2ccccc2 269982a_100000211662_100000723409 [0,1,1,0,0,0|2,0,0]=4 1968 B19R2.4401 Cc1c(cccc1C(=O)CCc2ccncc2)Br 1458a_100000760464_100000723409 [0,1,1,0,0,0|2,0,0]=4 1969 B19R2.4401 Cc1c(cccc1C(=O)CCc2ccncc2)Cl 1458a_100000690184_100000723409 [0,1,1,0,0,0|2,0,0]=4 1970 B19R2.4401 Cc1c(cccc1C(=O)CCc2ccncc2)F 1458a_100011218272_100000723409 [0,1,1,0,0,0|2,0,0]=4 1971 B19R2.4401 Cc1c(cccc1C(=O)CCc2ccncc2)I 1458a_100000751865_100000723409 [0,1,1,0,0,0|2,0,0]=4 1972 B19R2.4401 Cc1c(cccc1C(=O)CCc2ccncc2)O 1458a_100000766327_100000723409 [0,1,1,0,0,0|2,0,0]=4 1973 B19R2.4401 Cc1cccc(c1Br)C(=O)CCc2ccncc2 1458a_100000692419_100000723409 [0,1,1,0,0,0|2,0,0]=4 1974 B19R2.4401 Cc1cccc(c1C)C(=O)CCc2ccncc2 1458a_100000183679_100000723409 [0,1,1,0,0,0|2,0,0]=4 1975 B19R2.4401 Cc1cccc(c1Cl)C(=O)CCc2ccncc2 1458a_100000693142_100000723409 [0,1,1,0,0,0|2,0,0]=4 1976 B19R2.4401 Cc1cccc(c1F)C(=O)CCc2ccncc2 1458a_100000766181_100000723409 [0,1,1,0,0,0|2,0,0]=4 1977 B19R2.4401 Cc1cccc(c1I)C(=O)CCc2ccncc2 1458a_100000739377_100000723409 [0,1,1,0,0,0|2,0,0]=4 1978 B19R2.4401 Cc1cccc(c1O)C(=O)CCc2ccncc2 1458a_100000183896_100000723409 [0,1,1,0,0,0|2,0,0]=4 1979 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2Br)Br 1458a_100012360534_100000723409 [0,1,1,0,0,0|2,0,0]=4 1980 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2Br)Cl 1458a_100012339722_100000723409 [0,1,1,0,0,0|2,0,0]=4 1981 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2Br)F 1458a_100011217547_100000723409 [0,1,1,0,0,0|2,0,0]=4 1982 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2Br)I 1458a_100010232522_100000723409 [0,1,1,0,0,0|2,0,0]=4 1983 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2Br)O 1458a_100010230362_100000723409 [0,1,1,0,0,0|2,0,0]=4 1984 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2Cl)Br 1458a_100000760540_100000723409 [0,1,1,0,0,0|2,0,0]=4 1985 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2Cl)Cl 1458a_100000183631_100000723409 [0,1,1,0,0,0|2,0,0]=4 1986 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2Cl)F 1458a_100000759904_100000723409 [0,1,1,0,0,0|2,0,0]=4 1987 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2Cl)I 1458a_100010176783_100000723409 [0,1,1,0,0,0|2,0,0]=4 1988 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2Cl)O 1458a_100000092362_100000723409 [0,1,1,0,0,0|2,0,0]=4 1989 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2F)Br 1458a_100000756403_100000723409 [0,1,1,0,0,0|2,0,0]=4 1990 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2F)Cl 1458a_100000688816_100000723409 [0,1,1,0,0,0|2,0,0]=4 1991 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2F)F 1458a_100000748134_100000723409 [0,1,1,0,0,0|2,0,0]=4 1992 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2F)I 1458a_100010185205_100000723409 [0,1,1,0,0,0|2,0,0]=4 1993 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2F)O 1458a_100000037433_100000723409 [0,1,1,0,0,0|2,0,0]=4 1994 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2I)Br 1458a_100000688019_100000723409 [0,1,1,0,0,0|2,0,0]=4 1995 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2I)Cl 1458a_100010176784_100000723409 [0,1,1,0,0,0|2,0,0]=4 1996 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2I)F 1458a_100000690930_100000723409 [0,1,1,0,0,0|2,0,0]=4 1997 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2I)O 1458a_100010084636_100000723409 [0,1,1,0,0,0|2,0,0]=4 1998 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2O)Br 1458a_100000752940_100000723409 [0,1,1,0,0,0|2,0,0]=4 1999 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2O)Cl 1458a_100000742801_100000723409 [0,1,1,0,0,0|2,0,0]=4 2000 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2O)F 1458a_100011217230_100000723409 [0,1,1,0,0,0|2,0,0]=4 2001 B19R2.4401 O=C(CCc1ccncc1)c2cccc(c2O)O 1458a_100000690420_100000723409 [0,1,1,0,0,0|2,0,0]=4 2002 B19R2.4531 Cc1cc(ccc1C(=O)CCc2ccncc2)Br 1458a_100000741311_100000723409 [0,1,1,0,0,0|2,0,0]=4 2003 B19R2.4531 Cc1cc(ccc1C(=O)CCc2ccncc2)Cl 1458a_100000688705_100000723409 [0,1,1,0,0,0|2,0,0]=4 2004 B19R2.4531 Cc1cc(ccc1C(=O)CCc2ccncc2)F 1458a_100000686989_100000723409 [0,1,1,0,0,0|2,0,0]=4 2005 B19R2.4531 Cc1cc(ccc1C(=O)CCc2ccncc2)I 1458a_100010189873_100000723409 [0,1,1,0,0,0|2,0,0]=4 2006 B19R2.4531 Cc1cc(ccc1C(=O)CCc2ccncc2)O 1458a_100000692822_100000723409 [0,1,1,0,0,0|2,0,0]=4 2007 B19R2.4531 Cc1ccc(c(c1)Br)C(=O)CCc2ccncc2 1458a_100000685072_100000723409 [0,1,1,0,0,0|2,0,0]=4 2008 B19R2.4531 Cc1ccc(c(c1)C)C(=O)CCc2ccncc2 1458a_100000211164_100000723409 [0,1,1,0,0,0|2,0,0]=4 2009 B19R2.4531 Cc1ccc(c(c1)Cl)C(=O)CCc2ccncc2 1458a_100000766932_100000723409 [0,1,1,0,0,0|2,0,0]=4 2010 B19R2.4531 Cc1ccc(c(c1)F)C(=O)CCc2ccncc2 1458a_100000766033_100000723409 [0,1,1,0,0,0|2,0,0]=4 2011 B19R2.4531 Cc1ccc(c(c1)I)C(=O)CCc2ccncc2 1458a_100009999607_100000723409 [0,1,1,0,0,0|2,0,0]=4 2012 B19R2.4531 Cc1ccc(c(c1)O)C(=O)CCc2ccncc2 1458a_100000212137_100000723409 [0,1,1,0,0,0|2,0,0]=4 2013 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2Br)Br 1458a_100000762965_100000723409 [0,1,1,0,0,0|2,0,0]=4 2014 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2Br)Cl 1458a_100000766353_100000723409 [0,1,1,0,0,0|2,0,0]=4 2015 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2Br)F 1458a_100000212304_100000723409 [0,1,1,0,0,0|2,0,0]=4 2016 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2Br)I 1458a_100012360512_100000723409 [0,1,1,0,0,0|2,0,0]=4 2017 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2Br)O 1458a_100012344906_100000723409 [0,1,1,0,0,0|2,0,0]=4 2018 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2Cl)Br 1458a_100000741628_100000723409 [0,1,1,0,0,0|2,0,0]=4 2019 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2Cl)Cl 1458a_100000185840_100000723409 [0,1,1,0,0,0|2,0,0]=4 2020 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2Cl)F 1458a_100000211397_100000723409 [0,1,1,0,0,0|2,0,0]=4 2021 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2Cl)I 1458a_100000751301_100000723409 [0,1,1,0,0,0|2,0,0]=4 2022 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2Cl)O 1458a_100000702456_100000723409 [0,1,1,0,0,0|2,0,0]=4 2023 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2F)Br 1458a_100000214689_100000723409 [0,1,1,0,0,0|2,0,0]=4 2024 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2F)Cl 1458a_100000212326_100000723409 [0,1,1,0,0,0|2,0,0]=4 2025 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2F)F 1458a_100000211022_100000723409 [0,1,1,0,0,0|2,0,0]=4 2026 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2F)I 1458a_100000037189_100000723409 [0,1,1,0,0,0|2,0,0]=4 2027 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2F)O 1458a_100000689029_100000723409 [0,1,1,0,0,0|2,0,0]=4 2028 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2I)Br 1458a_100000751167_100000723409 [0,1,1,0,0,0|2,0,0]=4 2029 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2I)Cl 1458a_100000739380_100000723409 [0,1,1,0,0,0|2,0,0]=4 2030 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2I)F 1458a_100000739341_100000723409 [0,1,1,0,0,0|2,0,0]=4 2031 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2O)Br 1458a_100000744433_100000723409 [0,1,1,0,0,0|2,0,0]=4 2032 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2O)Cl 1458a_100000188622_100000723409 [0,1,1,0,0,0|2,0,0]=4 2033 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2O)F 1458a_100000746061_100000723409 [0,1,1,0,0,0|2,0,0]=4 2034 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2O)I 1458a_100000091984_100000723409 [0,1,1,0,0,0|2,0,0]=4 2035 B19R2.4531 O=C(CCc1ccncc1)c2ccc(cc2O)O 1458a_100000212172_100000723409 [0,1,1,0,0,0|2,0,0]=4 2036 B19R2.4553 Cc1ccc(c(c1)C(=O)CCc2ccncc2)Br 1458a_100000689033_100000723409 [0,1,1,0,0,0|2,0,0]=4 2037 B19R2.4553 Cc1ccc(c(c1)C(=O)CCc2ccncc2)C 1458a_100000195421_100000723409 [0,1,1,0,0,0|2,0,0]=4 2038 B19R2.4553 Cc1ccc(c(c1)C(=O)CCc2ccncc2)Cl 1458a_100011290873_100000723409 [0,1,1,0,0,0|2,0,0]=4 2039 B19R2.4553 Cc1ccc(c(c1)C(=O)CCc2ccncc2)F 1458a_100000749327_100000723409 [0,1,1,0,0,0|2,0,0]=4 2040 B19R2.4553 Cc1ccc(c(c1)C(=O)CCc2ccncc2)I 1458a_100000057929_100000723409 [0,1,1,0,0,0|2,0,0]=4 2041 B19R2.4553 Cc1ccc(c(c1)C(=O)CCc2ccncc2)O 1458a_100000229998_100000723409 [0,1,1,0,0,0|2,0,0]=4 2042 B19R2.4553 Cc1ccc(cc1C(=O)CCc2ccncc2)Br 1458a_100000759961_100000723409 [0,1,1,0,0,0|2,0,0]=4 2043 B19R2.4553 Cc1ccc(cc1C(=O)CCc2ccncc2)Cl 1458a_100000692595_100000723409 [0,1,1,0,0,0|2,0,0]=4 2044 B19R2.4553 Cc1ccc(cc1C(=O)CCc2ccncc2)F 1458a_100000240043_100000723409 [0,1,1,0,0,0|2,0,0]=4 2045 B19R2.4553 Cc1ccc(cc1C(=O)CCc2ccncc2)I 1458a_100000688012_100000723409 [0,1,1,0,0,0|2,0,0]=4 2046 B19R2.4553 Cc1ccc(cc1C(=O)CCc2ccncc2)O 1458a_100000687834_100000723409 [0,1,1,0,0,0|2,0,0]=4 2047 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2Br)Br 1458a_100000690610_100000723409 [0,1,1,0,0,0|2,0,0]=4 2048 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2Br)Cl 1458a_100000736951_100000723409 [0,1,1,0,0,0|2,0,0]=4 2049 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2Br)F 1458a_100000212315_100000723409 [0,1,1,0,0,0|2,0,0]=4 2050 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2Br)I 1458a_100000698340_100000723409 [0,1,1,0,0,0|2,0,0]=4 2051 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2Br)O 1458a_100012352043_100000723409 [0,1,1,0,0,0|2,0,0]=4 2052 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2Cl)Br 1458a_100000211212_100000723409 [0,1,1,0,0,0|2,0,0]=4 2053 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2Cl)Cl 1458a_100000210642_100000723409 [0,1,1,0,0,0|2,0,0]=4 2054 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2Cl)F 1458a_100011219680_100000723409 [0,1,1,0,0,0|2,0,0]=4 2055 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2Cl)I 1458a_100000688013_100000723409 [0,1,1,0,0,0|2,0,0]=4 2056 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2Cl)O 1458a_100000719527_100000723409 [0,1,1,0,0,0|2,0,0]=4 2057 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2F)Br 1458a_100000212322_100000723409 [0,1,1,0,0,0|2,0,0]=4 2058 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2F)Cl 1458a_100000214954_100000723409 [0,1,1,0,0,0|2,0,0]=4 2059 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2F)F 1458a_100000198512_100000723409 [0,1,1,0,0,0|2,0,0]=4 2060 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2F)I 1458a_100000688014_100000723409 [0,1,1,0,0,0|2,0,0]=4 2061 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2F)O 1458a_100000037260_100000723409 [0,1,1,0,0,0|2,0,0]=4 2062 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2I)Br 1458a_100000183945_100000723409 [0,1,1,0,0,0|2,0,0]=4 2063 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2I)Cl 1458a_100000739379_100000723409 [0,1,1,0,0,0|2,0,0]=4 2064 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2I)F 1458a_100000748905_100000723409 [0,1,1,0,0,0|2,0,0]=4 2065 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2I)I 1458a_100000750460_100000723409 [0,1,1,0,0,0|2,0,0]=4 2066 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2I)O 1458a_200009995701_100000723409 [0,1,1,0,0,0|2,0,0]=4 2067 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2O)Br 1458a_100000212140_100000723409 [0,1,1,0,0,0|2,0,0]=4 2068 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2O)Cl 1458a_100000212143_100000723409 [0,1,1,0,0,0|2,0,0]=4 2069 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2O)F 1458a_100000742286_100000723409 [0,1,1,0,0,0|2,0,0]=4 2070 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2O)I 1458a_100000212111_100000723409 [0,1,1,0,0,0|2,0,0]=4 2071 B19R2.4553 O=C(CCc1ccncc1)c2cc(ccc2O)O 1458a_100000758025_100000723409 [0,1,1,0,0,0|2,0,0]=4 2072 B19R2.61554 Cc1cccc(c1C(=O)CCc2ccncc2)Br 1458a_100000701904_100000723409 [0,1,1,0,0,0|2,0,0]=4 2073 B19R2.61554 Cc1cccc(c1C(=O)CCc2ccncc2)C 1458a_100000758298_100000723409 [0,1,1,0,0,0|2,0,0]=4 2074 B19R2.61554 Cc1cccc(c1C(=O)CCc2ccncc2)Cl 1458a_100000692601_100000723409 [0,1,1,0,0,0|2,0,0]=4 2075 B19R2.61554 Cc1cccc(c1C(=O)CCc2ccncc2)F 1458a_100000762013_100000723409 [0,1,1,0,0,0|2,0,0]=4 2076 B19R2.61554 Cc1cccc(c1C(=O)CCc2ccncc2)I 1458a_100000688020_100000723409 [0,1,1,0,0,0|2,0,0]=4 2077 B19R2.61554 Cc1cccc(c1C(=O)CCc2ccncc2)O 1458a_100011934116_100000723409 [0,1,1,0,0,0|2,0,0]=4 2078 B19R2.61554 O=C(CCc1ccncc1)c2c(cccc2Br)Br 1458a_100000690891_100000723409 [0,1,1,0,0,0|2,0,0]=4 2079 B19R2.61554 O=C(CCc1ccncc1)c2c(cccc2Br)Cl 1458a_100011253703_100000723409 [0,1,1,0,0,0|2,0,0]=4 2080 B19R2.61554 O=C(CCc1ccncc1)c2c(cccc2Br)F 1458a_100000752694_100000723409 [0,1,1,0,0,0|2,0,0]=4 2081 B19R2.61554 O=C(CCc1ccncc1)c2c(cccc2Br)O 1458a_100011935254_100000723409 [0,1,1,0,0,0|2,0,0]=4 2082 B19R2.61554 O=C(CCc1ccncc1)c2c(cccc2Cl)Cl 1458a_100000210656_100000723409 [0,1,1,0,0,0|2,0,0]=4 2083 B19R2.61554 O=C(CCc1ccncc1)c2c(cccc2Cl)F 1458a_100000210369_100000723409 [0,1,1,0,0,0|2,0,0]=4 2084 B19R2.61554 O=C(CCc1ccncc1)c2c(cccc2Cl)O 1458a_100000745519_100000723409 [0,1,1,0,0,0|2,0,0]=4 2085 B19R2.61554 O=C(CCc1ccncc1)c2c(cccc2F)F 1458a_100000210804_100000723409 [0,1,1,0,0,0|2,0,0]=4 2086 B19R2.61554 O=C(CCc1ccncc1)c2c(cccc2F)O 1458a_100000763259_100000723409 [0,1,1,0,0,0|2,0,0]=4 2087 B19R2.61554 O=C(CCc1ccncc1)c2c(cccc2I)Br 1458a_100010232521_100000723409 [0,1,1,0,0,0|2,0,0]=4 2088 B19R2.61554 O=C(CCc1ccncc1)c2c(cccc2I)Cl 1458a_100000702859_100000723409 [0,1,1,0,0,0|2,0,0]=4 2089 B19R2.61554 O=C(CCc1ccncc1)c2c(cccc2I)F 1458a_100000023732_100000723409 [0,1,1,0,0,0|2,0,0]=4 2090 B19R2.61554 O=C(CCc1ccncc1)c2c(cccc2O)O 1458a_100000755285_100000723409 [0,1,1,0,0,0|2,0,0]=4 2091 B19R3.99 Brc1cc2[nH]cc(c2cn1)Sc3ccncc3 62a_100000728582_100010206817 [0,1,0,0,1,0|2,0,0]=4 2092 B19R3.99 Brc1cc2[nH]cc(c2cn1)Sc3ccncc3 62a_100010206817_100000728582 [0,1,0,0,1,0|2,0,0]=4 2093 B19R3.99 Brc1ccc2c(n[nH]c2c1)Sc3ccncc3 62a_100000728582_100010186045 [0,1,0,0,1,0|2,0,0]=4 2094 B19R3.99 Brc1ccc2c(n[nH]c2c1)Sc3ccncc3 62a_100010186045_100000728582 [0,1,0,0,1,0|2,0,0]=4 2095 B19R3.99 Brc1cnc2c(c[nH]c2c1)Sc3ccncc3 62a_100000728582_100010208019 [0,1,0,0,1,0|2,0,0]=4 2096 B19R3.99 Brc1cnc2c(c[nH]c2c1)Sc3ccncc3 62a_100010208019_100000728582 [0,1,0,0,1,0|2,0,0]=4 2097 B19R3.99 Cc1ccc2c(n[nH]c2c1)Sc3ccncc3 62a_100000728582_100000049534 [0,1,0,0,1,0|2,0,0]=4 2098 B19R3.99 Clc1cc2[nH]cc(c2cn1)Sc3ccncc3 62a_100000728582_100010206812 [0,1,0,0,1,0|2,0,0]=4 2099 B19R3.99 Clc1ccc2c(c[nH]c2n1)Sc3ccncc3 62a_100000728582_100010168512 [0,1,0,0,1,0|2,0,0]=4 2100 B19R3.99 Clc1ccc2c(n[nH]c2c1)Sc3ccncc3 62a_100000728582_100000049627 [0,1,0,0,1,0|2,0,0]=4 2101 B19R3.99 Fc1ccc2c(c[nH]c2n1)Sc3ccncc3 62a_100000728582_100010168364 [0,1,0,0,1,0|2,0,0]=4 2102 B19R3.99 Fc1ccc2c(n[nH]c2c1)Sc3ccncc3 62a_100000728582_100000049990 [0,1,0,0,1,0|2,0,0]=4 2103 B19R3.99 Nc1ccc2c(n[nH]c2c1)Sc3ccncc3 62a_100000728582_100009816878 [0,1,0,0,1,0|2,0,0]=4 2104 B19R3.288 Cc1[nH]c2ncccc2c1Sc3ccncc3 62a_100000728582_100010174266 [0,1,0,0,1,0|2,0,0]=4 2105 B19R3.288 Cc1oc2ccccc2c1Sc3ccncc3 62a_100000728582_200010236113 [0,1,0,0,1,0|2,0,0]=4 2106 B19R3.288 Cc1sc2ccccc2c1Sc3ccncc3 62a_100000728582_100010002616 [0,1,0,0,1,0|2,0,0]=4 2107 B19R3.288 Cc1sc2ccccc2c1Sc3ccncc3 62a_100010002616_100000728582 [0,1,0,0,1,0|2,0,0]=4 2108 B19R3.288 O=C1Nc2ccccc2C1Sc3ccncc3 62a_100000728582_200009996675 [0,1,0,0,1,0|1,0,1]=4 2109 B19R3.307 Brc1cnccc1Sc2c[nH]c3c2cccn3 62a_100000726257_100011934613 [0,1,0,0,1,0|2,0,0]=4 2110 B19R3.307 Brc1cnccc1Sc2c[nH]c3c2ccnc3 62a_100000726257_100010232032 [0,1,0,0,1,0|2,0,0]=4 2111 B19R3.307 Brc1cnccc1Sc2c[nH]c3c2cncc3 62a_100000726257_100000753697 [0,1,0,0,1,0|2,0,0]=4 2112 B19R3.307 Brc1cnccc1Sc2c[nH]c3c2nccc3 62a_100000726257_100009817151 [0,1,0,0,1,0|2,0,0]=4 2113 B19R3.307 Brc1cnccc1Sc2coc3c2cccc3 62a_100000726257_100009812202 [0,1,0,0,1,0|2,0,0]=4 2114 B19R3.307 Brc1cnccc1Sc2csc3c2cccc3 62a_100000726257_100009813928 [0,1,0,0,1,0|2,0,0]=4 2115 B19R3.307 Brc1cnccc1Sc2n[nH]c3c2cccc3 62a_100000726257_100000050141 [0,1,0,0,1,0|2,0,0]=4 2116 B19R3.307 Cc1cnccc1Sc2c[nH]c3c2cccn3 62a_100000765111_100011934613 [0,1,0,0,1,0|2,0,0]=4 2117 B19R3.307 Cc1cnccc1Sc2c[nH]c3c2ccnc3 62a_100000765111_100010232032 [0,1,0,0,1,0|2,0,0]=4 2118 B19R3.307 Cc1cnccc1Sc2c[nH]c3c2cncc3 62a_100000765111_100000753697 [0,1,0,0,1,0|2,0,0]=4 2119 B19R3.307 Cc1cnccc1Sc2c[nH]c3c2nccc3 62a_100000765111_100009817151 [0,1,0,0,1,0|2,0,0]=4 2120 B19R3.307 Cc1cnccc1Sc2coc3c2cccc3 62a_100000765111_100009812202 [0,1,0,0,1,0|2,0,0]=4 2121 B19R3.307 Cc1cnccc1Sc2csc3c2cccc3 62a_100000765111_100009813928 [0,1,0,0,1,0|2,0,0]=4 2122 B19R3.307 Cc1cnccc1Sc2n[nH]c3c2cccc3 62a_100000765111_100000050141 [0,1,0,0,1,0|2,0,0]=4 2123 B19R3.307 Clc1cnccc1Sc2c[nH]c3c2cccn3 62a_100000708259_100011934613 [0,1,0,0,1,0|2,0,0]=4 2124 B19R3.307 Clc1cnccc1Sc2c[nH]c3c2ccnc3 62a_100000708259_100010232032 [0,1,0,0,1,0|2,0,0]=4 2125 B19R3.307 Clc1cnccc1Sc2c[nH]c3c2cncc3 62a_100000708259_100000753697 [0,1,0,0,1,0|2,0,0]=4 2126 B19R3.307 Clc1cnccc1Sc2c[nH]c3c2nccc3 62a_100000708259_100009817151 [0,1,0,0,1,0|2,0,0]=4 2127 B19R3.307 Clc1cnccc1Sc2coc3c2cccc3 62a_100000708259_100009812202 [0,1,0,0,1,0|2,0,0]=4 2128 B19R3.307 Clc1cnccc1Sc2csc3c2cccc3 62a_100000708259_100009813928 [0,1,0,0,1,0|2,0,0]=4 2129 B19R3.307 Clc1cnccc1Sc2n[nH]c3c2cccc3 62a_100000708259_100000050141 [0,1,0,0,1,0|2,0,0]=4 2130 B19R3.307 Fc1cnccc1Sc2c[nH]c3c2cccn3 62a_100000047030_100011934613 [0,1,0,0,1,0|2,0,0]=4 2131 B19R3.307 Fc1cnccc1Sc2c[nH]c3c2ccnc3 62a_100000047030_100010232032 [0,1,0,0,1,0|2,0,0]=4 2132 B19R3.307 Fc1cnccc1Sc2c[nH]c3c2cncc3 62a_100000047030_100000753697 [0,1,0,0,1,0|2,0,0]=4 2133 B19R3.307 Fc1cnccc1Sc2c[nH]c3c2nccc3 62a_100000047030_100009817151 [0,1,0,0,1,0|2,0,0]=4 2134 B19R3.307 Fc1cnccc1Sc2coc3c2cccc3 62a_100000047030_100009812202 [0,1,0,0,1,0|2,0,0]=4 2135 B19R3.307 Fc1cnccc1Sc2csc3c2cccc3 62a_100000047030_100009813928 [0,1,0,0,1,0|2,0,0]=4 2136 B19R3.307 Fc1cnccc1Sc2n[nH]c3c2cccc3 62a_100000047030_100000050141 [0,1,0,0,1,0|2,0,0]=4 2137 B19R3.307 Nc1cnccc1Sc2c[nH]c3c2cccn3 62a_100000756074_100011934613 [0,1,0,0,1,0|2,0,0]=4 2138 B19R3.307 Nc1cnccc1Sc2c[nH]c3c2ccnc3 62a_100000756074_100010232032 [0,1,0,0,1,0|2,0,0]=4 2139 B19R3.307 Nc1cnccc1Sc2c[nH]c3c2cncc3 62a_100000756074_100000753697 [0,1,0,0,1,0|2,0,0]=4 2140 B19R3.307 Nc1cnccc1Sc2c[nH]c3c2nccc3 62a_100000756074_100009817151 [0,1,0,0,1,0|2,0,0]=4 2141 B19R3.307 Nc1cnccc1Sc2coc3c2cccc3 62a_100000756074_100009812202 [0,1,0,0,1,0|2,0,0]=4 2142 B19R3.307 Nc1cnccc1Sc2csc3c2cccc3 62a_100000756074_100009813928 [0,1,0,0,1,0|2,0,0]=4 2143 B19R3.307 Nc1cnccc1Sc2n[nH]c3c2cccc3 62a_100000756074_100000050141 [0,1,0,0,1,0|2,0,0]=4 2144 B19R3.307 Oc1cnccc1Sc2c[nH]c3c2cccn3 62a_100009817591_100011934613 [0,1,0,0,1,0|2,0,0]=4 2145 B19R3.307 Oc1cnccc1Sc2c[nH]c3c2ccnc3 62a_100009817591_100010232032 [0,1,0,0,1,0|2,0,0]=4 2146 B19R3.307 Oc1cnccc1Sc2c[nH]c3c2cncc3 62a_100009817591_100000753697 [0,1,0,0,1,0|2,0,0]=4 2147 B19R3.307 Oc1cnccc1Sc2c[nH]c3c2nccc3 62a_100009817591_100009817151 [0,1,0,0,1,0|2,0,0]=4 2148 B19R3.307 Oc1cnccc1Sc2coc3c2cccc3 62a_100009817591_100009812202 [0,1,0,0,1,0|2,0,0]=4 2149 B19R3.307 Oc1cnccc1Sc2csc3c2cccc3 62a_100009817591_100009813928 [0,1,0,0,1,0|2,0,0]=4 2150 B19R3.307 Oc1cnccc1Sc2n[nH]c3c2cccc3 62a_100009817591_100000050141 [0,1,0,0,1,0|2,0,0]=4 2151 B19R3.5866 Brc1ccc2[nH]cc(c2n1)Sc3ccncc3 62a_100000728582_100010168532 [0,1,0,0,1,0|2,0,0]=4 2152 B19R3.5866 Brc1ccc2[nH]cc(c2n1)Sc3ccncc3 62a_100010168532_100000728582 [0,1,0,0,1,0|2,0,0]=4 2153 B19R3.5866 Brc1ccc2[nH]nc(c2c1)Sc3ccncc3 62a_100000728582_100010186058 [0,1,0,0,1,0|2,0,0]=4 2154 B19R3.5866 Brc1cnc2[nH]cc(c2c1)Sc3ccncc3 62a_100000728582_100011290788 [0,1,0,0,1,0|2,0,0]=4 2155 B19R3.5866 Brc1cnc2[nH]cc(c2c1)Sc3ccncc3 62a_100011290788_100000728582 [0,1,0,0,1,0|2,0,0]=4 2156 B19R3.5866 Cc1ccc2[nH]cc(c2n1)Sc3ccncc3 62a_100000728582_100010212567 [0,1,0,0,1,0|2,0,0]=4 2157 B19R3.5866 Cc1ccc2[nH]nc(c2c1)Sc3ccncc3 62a_100000728582_100000123028 [0,1,0,0,1,0|2,0,0]=4 2158 B19R3.5866 Cc1cnc2[nH]cc(c2c1)Sc3ccncc3 62a_100000728582_100010246215 [0,1,0,0,1,0|2,0,0]=4 2159 B19R3.5866 Clc1cc2c(c[nH]c2cn1)Sc3ccncc3 62a_100000728582_100010168685 [0,1,0,0,1,0|2,0,0]=4 2160 B19R3.5866 Clc1ccc2[nH]cc(c2n1)Sc3ccncc3 62a_100000728582_100010168529 [0,1,0,0,1,0|2,0,0]=4 2161 B19R3.5866 Clc1ccc2[nH]nc(c2c1)Sc3ccncc3 62a_100000728582_100010174404 [0,1,0,0,1,0|2,0,0]=4 2162 B19R3.5866 Clc1cnc2[nH]cc(c2c1)Sc3ccncc3 62a_100000728582_100000050100 [0,1,0,0,1,0|2,0,0]=4 2163 B19R3.5866 Fc1ccc2[nH]nc(c2c1)Sc3ccncc3 62a_100000728582_100011934747 [0,1,0,0,1,0|2,0,0]=4 2164 B19R3.5866 Fc1cnc2[nH]cc(c2c1)Sc3ccncc3 62a_100000728582_100010168383 [0,1,0,0,1,0|2,0,0]=4 2165 B19R3.5866 Nc1ccc2[nH]nc(c2c1)Sc3ccncc3 62a_100000728582_100012353729 [0,1,0,0,1,0|2,0,0]=4 2166 B19R3.5866 Nc1ccc2scc(c2c1)Sc3ccncc3 62a_100000728582_100011178648 [0,1,0,0,1,0|2,0,0]=4 2167 B19R3.5866 Nc1ccc2scc(c2c1)Sc3ccncc3 62a_100011178648_100000728582 [0,1,0,0,1,0|2,0,0]=4 2168 B19R3.5866 Nc1cnc2[nH]cc(c2c1)Sc3ccncc3 62a_100000728582_100010168510 [0,1,0,0,1,0|2,0,0]=4 2169 B19R3.8184 Brc1cccc2c1[nH]nc2Sc3ccncc3 62a_100000728582_100010197283 [0,1,0,0,1,0|2,0,0]=4 2170 B19R3.8184 Cc1cccc2c1[nH]nc2Sc3ccncc3 62a_100000728582_100010186057 [0,1,0,0,1,0|2,0,0]=4 2171 B19R3.8184 Clc1cccc2c1[nH]nc2Sc3ccncc3 62a_100000728582_100000050086 [0,1,0,0,1,0|2,0,0]=4 2172 B19R3.8184 Clc1ccnc2c1[nH]cc2Sc3ccncc3 62a_100000728582_100010168581 [0,1,0,0,1,0|2,0,0]=4 2173 B19R3.8184 Fc1cccc2c1[nH]nc2Sc3ccncc3 62a_100000728582_100010231504 [0,1,0,0,1,0|2,0,0]=4 2174 B19R3.8184 Nc1cccc2c1[nH]nc2Sc3ccncc3 62a_100000728582_100009888981 [0,1,0,0,1,0|2,0,0]=4 2175 B19R3.8184 Oc1cccc2c1[nH]nc2Sc3ccncc3 62a_100000728582_200010988877 [0,1,0,0,1,0|2,0,0]=4 2176 B19R3.8309 Brc1cccc2c1c(n[nH]2)Sc3ccncc3 62a_100000728582_100010186043 [0,1,0,0,1,0|2,0,0]=4 2177 B19R3.8309 Brc1ccnc2c1c(c[nH]2)Sc3ccncc3 62a_100000728582_100010212587 [0,1,0,0,1,0|2,0,0]=4 2178 B19R3.8309 Brc1ccnc2c1c(c[nH]2)Sc3ccncc3 62a_100010212587_100000728582 [0,1,0,0,1,0|2,0,0]=4 2179 B19R3.8309 Cc1cccc2c1c(n[nH]2)Sc3ccncc3 62a_100000728582_100000049903 [0,1,0,0,1,0|2,0,0]=4 2180 B19R3.8309 Clc1cccc2c1c(n[nH]2)Sc3ccncc3 62a_100000728582_100000049730 [0,1,0,0,1,0|2,0,0]=4 2181 B19R3.8309 Clc1ccnc2c1c(c[nH]2)Sc3ccncc3 62a_100000728582_100011356983 [0,1,0,0,1,0|2,0,0]=4 2182 B19R3.8309 Fc1cccc2c1c(n[nH]2)Sc3ccncc3 62a_100000728582_100000049989 [0,1,0,0,1,0|2,0,0]=4 2183 B19R3.8309 Fc1ccnc2c1c(c[nH]2)Sc3ccncc3 62a_100000728582_100010168365 [0,1,0,0,1,0|2,0,0]=4 2184 B19R3.8309 Nc1cccc2c1c(n[nH]2)Sc3ccncc3 62a_100000728582_100010186038 [0,1,0,0,1,0|2,0,0]=4 2185 B19R3.9780 Brc1cc(ccn1)Sc2c[nH]c3c2cccn3 62a_100009814637_100011934613 [0,1,0,0,1,0|2,0,0]=4 2186 B19R3.9780 Brc1cc(ccn1)Sc2c[nH]c3c2ccnc3 62a_100009814637_100010232032 [0,1,0,0,1,0|2,0,0]=4 2187 B19R3.9780 Brc1cc(ccn1)Sc2c[nH]c3c2cncc3 62a_100009814637_100000753697 [0,1,0,0,1,0|2,0,0]=4 2188 B19R3.9780 Brc1cc(ccn1)Sc2c[nH]c3c2nccc3 62a_100009814637_100009817151 [0,1,0,0,1,0|2,0,0]=4 2189 B19R3.9780 Brc1cc(ccn1)Sc2coc3c2cccc3 62a_100009814637_100009812202 [0,1,0,0,1,0|2,0,0]=4 2190 B19R3.9780 Brc1cc(ccn1)Sc2csc3c2cccc3 62a_100009814637_100009813928 [0,1,0,0,1,0|2,0,0]=4 2191 B19R3.9780 Brc1cc(ccn1)Sc2n[nH]c3c2cccc3 62a_100009814637_100000050141 [0,1,0,0,1,0|2,0,0]=4 2192 B19R3.9780 Cc1cc(ccn1)Sc2c[nH]c3c2cccn3 62a_100000758586_100011934613 [0,1,0,0,1,0|2,0,0]=4 2193 B19R3.9780 Cc1cc(ccn1)Sc2c[nH]c3c2ccnc3 62a_100000758586_100010232032 [0,1,0,0,1,0|2,0,0]=4 2194 B19R3.9780 Cc1cc(ccn1)Sc2c[nH]c3c2cncc3 62a_100000758586_100000753697 [0,1,0,0,1,0|2,0,0]=4 2195 B19R3.9780 Cc1cc(ccn1)Sc2c[nH]c3c2nccc3 62a_100000758586_100009817151 [0,1,0,0,1,0|2,0,0]=4 2196 B19R3.9780 Cc1cc(ccn1)Sc2coc3c2cccc3 62a_100000758586_100009812202 [0,1,0,0,1,0|2,0,0]=4 2197 B19R3.9780 Cc1cc(ccn1)Sc2csc3c2cccc3 62a_100000758586_100009813928 [0,1,0,0,1,0|2,0,0]=4 2198 B19R3.9780 Cc1cc(ccn1)Sc2n[nH]c3c2cccc3 62a_100000758586_100000050141 [0,1,0,0,1,0|2,0,0]=4 2199 B19R3.9780 Clc1cc(ccn1)Sc2c[nH]c3c2cccn3 62a_100000035001_100011934613 [0,1,0,0,1,0|2,0,0]=4 2200 B19R3.9780 Clc1cc(ccn1)Sc2c[nH]c3c2ccnc3 62a_100000035001_100010232032 [0,1,0,0,1,0|2,0,0]=4 2201 B19R3.9780 Clc1cc(ccn1)Sc2c[nH]c3c2cncc3 62a_100000035001_100000753697 [0,1,0,0,1,0|2,0,0]=4 2202 B19R3.9780 Clc1cc(ccn1)Sc2c[nH]c3c2nccc3 62a_100000035001_100009817151 [0,1,0,0,1,0|2,0,0]=4 2203 B19R3.9780 Clc1cc(ccn1)Sc2coc3c2cccc3 62a_100000035001_100009812202 [0,1,0,0,1,0|2,0,0]=4 2204 B19R3.9780 Clc1cc(ccn1)Sc2csc3c2cccc3 62a_100000035001_100009813928 [0,1,0,0,1,0|2,0,0]=4 2205 B19R3.9780 Clc1cc(ccn1)Sc2n[nH]c3c2cccc3 62a_100000035001_100000050141 [0,1,0,0,1,0|2,0,0]=4 2206 B19R3.9780 Fc1cc(ccn1)Sc2c[nH]c3c2cccn3 62a_100009816116_100011934613 [0,1,0,0,1,0|2,0,0]=4 2207 B19R3.9780 Fc1cc(ccn1)Sc2c[nH]c3c2ccnc3 62a_100009816116_100010232032 [0,1,0,0,1,0|2,0,0]=4 2208 B19R3.9780 Fc1cc(ccn1)Sc2c[nH]c3c2cncc3 62a_100009816116_100000753697 [0,1,0,0,1,0|2,0,0]=4 2209 B19R3.9780 Fc1cc(ccn1)Sc2c[nH]c3c2nccc3 62a_100009816116_100009817151 [0,1,0,0,1,0|2,0,0]=4 2210 B19R3.9780 Fc1cc(ccn1)Sc2coc3c2cccc3 62a_100009816116_100009812202 [0,1,0,0,1,0|2,0,0]=4 2211 B19R3.9780 Fc1cc(ccn1)Sc2csc3c2cccc3 62a_100009816116_100009813928 [0,1,0,0,1,0|2,0,0]=4 2212 B19R3.9780 Fc1cc(ccn1)Sc2n[nH]c3c2cccc3 62a_100009816116_100000050141 [0,1,0,0,1,0|2,0,0]=4 2213 B19R3.9780 Nc1cc(ccn1)Sc2c[nH]c3c2cccn3 62a_100000049665_100011934613 [0,1,0,0,1,0|2,0,0]=4 2214 B19R3.9780 Nc1cc(ccn1)Sc2c[nH]c3c2ccnc3 62a_100000049665_100010232032 [0,1,0,0,1,0|2,0,0]=4 2215 B19R3.9780 Nc1cc(ccn1)Sc2c[nH]c3c2cncc3 62a_100000049665_100000753697 [0,1,0,0,1,0|2,0,0]=4 2216 B19R3.9780 Nc1cc(ccn1)Sc2c[nH]c3c2nccc3 62a_100000049665_100009817151 [0,1,0,0,1,0|2,0,0]=4 2217 B19R3.9780 Nc1cc(ccn1)Sc2coc3c2cccc3 62a_100000049665_100009812202 [0,1,0,0,1,0|2,0,0]=4 2218 B19R3.9780 Nc1cc(ccn1)Sc2csc3c2cccc3 62a_100000049665_100009813928 [0,1,0,0,1,0|2,0,0]=4 2219 B19R3.9780 Nc1cc(ccn1)Sc2n[nH]c3c2cccc3 62a_100000049665_100000050141 [0,1,0,0,1,0|2,0,0]=4 2220 B19R3.17443 Cn1cc(c2c1nccc2)Sc3ccncc3 62a_100000728582_100010205794 [0,1,0,0,1,0|2,0,0]=4 2221 B19R3.17443 Cn1nc(c2c1cccc2)Sc3ccncc3 62a_100000728582_100009817141 [0,1,0,0,1,0|2,0,0]=4 2222 B19R3.17443 Cn1nc(c2c1cccc2)Sc3ccncc3 62a_100009817141_100000728582 [0,1,0,0,1,0|2,0,0]=4 2223 B19R3.3759 Cc1cn(nn1)CCc2c[nH]c3c2cccc3 274090a_100011218569_200000242740 [0,1,0,0,1,0|2,0,0]=4 2224 B21R3.525 Brc1cnccc1CNc2ccnc3c2cccc3 27a_100020640021_100011215880 [0,1,0,0,0,1|1,0,1]=4 2225 B21R3.525 Brc1cnccc1CNc2cnnc3c2cccc3 27a_100020640021_100000063506 [0,1,0,0,0,1|1,0,1]=4 2226 B21R3.525 Brc1cnccc1CNc2nccc3c2cccc3 27a_100020640021_100011934041 [0,1,0,0,0,1|2,0,0]=4 2227 B21R3.525 Brc1cnccc1CNc2ncnc3c2cccc3 27a_100020640021_100000217608 [0,1,0,0,0,1|1,0,1]=4 2228 B21R3.525 Brc1cnccc1NCc2cccc3c2cccc3 27a_100000753325_100000726257 [0,1,0,0,0,1|2,0,0]=4 2229 B21R3.525 Brc1cnccc1NCc2ccnc3c2cccc3 27a_100015187208_100000726257 [0,1,0,0,0,1|1,0,1]=4 2230 B21R3.525 Brc1cnccc1NCc2nccc3c2cccc3 27a_100000735229_100000726257 [0,1,0,0,0,1|2,0,0]=4 2231 B21R3.525 Brc1cnccc1OCc2cccc3c2cccc3 34a_100011996408_100011261445 [0,1,0,0,0,1|2,0,0]=4 2232 B21R3.525 Brc1cnccc1OCc2ccnc3c2cccc3 34a_100011996408_100015192512 [0,1,0,0,0,1|1,0,1]=4 2233 B21R3.525 Brc1cnccc1OCc2nccc3c2cccc3 34a_100011996408_100000033776 [0,1,0,0,0,1|2,0,0]=4 2234 B21R3.525 Brc1cnccc1SCc2cccc3c2cccc3 62a_100000726257_100000188474 [0,1,0,0,0,1|2,0,0]=4 2235 B21R3.525 Brc1cnccc1SCc2cccc3c2cccc3 62a_100011261445_100000726257 [0,1,0,0,0,1|2,0,0]=4 2236 B21R3.525 Brc1cnccc1SCc2ccnc3c2cccc3 62a_100000726257_100015192512 [0,1,0,0,0,1|1,0,1]=4 2237 B21R3.525 Brc1cnccc1SCc2ccnc3c2cccc3 62a_100015192512_100000726257 [0,1,0,0,0,1|1,0,1]=4 2238 B21R3.525 Brc1cnccc1SCc2nccc3c2cccc3 62a_100000033776_100000726257 [0,1,0,0,0,1|2,0,0]=4 2239 B21R3.525 Brc1cnccc1SCc2nccc3c2cccc3 62a_100000726257_100000033776 [0,1,0,0,0,1|2,0,0]=4 2240 B21R3.525 Cc1cnccc1CNc2cccc3c2cccc3 34a_100000185869_100020672809 [0,1,0,0,0,1|2,0,0]=4 2241 B21R3.525 Cc1cnccc1CNc2ccnc3c2cccc3 27a_100000708811_100011215880 [0,1,0,0,0,1|1,0,1]=4 2242 B21R3.525 Cc1cnccc1CNc2cnnc3c2cccc3 27a_100000708811_100000063506 [0,1,0,0,0,1|1,0,1]=4 2243 B21R3.525 Cc1cnccc1CNc2nccc3c2cccc3 27a_100000708811_100011934041 [0,1,0,0,0,1|2,0,0]=4 2244 B21R3.525 Cc1cnccc1CNc2ncnc3c2cccc3 27a_100000708811_100000217608 [0,1,0,0,0,1|1,0,1]=4 2245 B21R3.525 Cc1cnccc1COc2cccc3c2cccc3 34a_100000210388_100020672809 [0,1,0,0,0,1|2,0,0]=4 2246 B21R3.525 Cc1cnccc1COc2cccc3c2cccc3 7a_100000210388_100020672808 [0,1,0,0,0,1|2,0,0]=4 2247 B21R3.525 Cc1cnccc1COc2cncc3c2cccc3 34a_100000066178_100020672809 [0,1,0,0,0,1|1,0,1]=4 2248 B21R3.525 Cc1cnccc1COc2cncc3c2cccc3 7a_100000066178_100020672808 [0,1,0,0,0,1|1,0,1]=4 2249 B21R3.525 Cc1cnccc1COc2nccc3c2cccc3 34a_102531767632_100020672809 [0,1,0,0,0,1|2,0,0]=4 2250 B21R3.525 Cc1cnccc1CSc2cccc3c2cccc3 62a_100020672808_100000210605 [0,1,0,0,0,1|2,0,0]=4 2251 B21R3.525 Cc1cnccc1CSc2ccnc3c2cccc3 62a_100011458314_100020672808 [0,1,0,0,0,1|1,0,1]=4 2252 B21R3.525 Cc1cnccc1CSc2ccnc3c2cccc3 62a_100020672808_100011215880 [0,1,0,0,0,1|1,0,1]=4 2253 B21R3.525 Cc1cnccc1CSc2cncc3c2cccc3 62a_100000187577_100020672808 [0,1,0,0,0,1|1,0,1]=4 2254 B21R3.525 Cc1cnccc1CSc2cncc3c2cccc3 62a_100020672808_100000187577 [0,1,0,0,0,1|1,0,1]=4 2255 B21R3.525 Cc1cnccc1CSc2cnnc3c2cccc3 62a_100020672808_100000063506 [0,1,0,0,0,1|1,0,1]=4 2256 B21R3.525 Cc1cnccc1CSc2nccc3c2cccc3 62a_100011934041_100020672808 [0,1,0,0,0,1|2,0,0]=4 2257 B21R3.525 Cc1cnccc1CSc2nccc3c2cccc3 62a_100020672808_100011934041 [0,1,0,0,0,1|2,0,0]=4 2258 B21R3.525 Cc1cnccc1CSc2ncnc3c2cccc3 62a_100000753007_100020672808 [0,1,0,0,0,1|1,0,1]=4 2259 B21R3.525 Cc1cnccc1CSc2ncnc3c2cccc3 62a_100020672808_100000217608 [0,1,0,0,0,1|1,0,1]=4 2260 B21R3.525 Cc1cnccc1NCc2cccc3c2cccc3 27a_100000753325_100000765111 [0,1,0,0,0,1|2,0,0]=4 2261 B21R3.525 Cc1cnccc1NCc2ccnc3c2cccc3 27a_100015187208_100000765111 [0,1,0,0,0,1|1,0,1]=4 2262 B21R3.525 Cc1cnccc1NCc2nccc3c2cccc3 27a_100000735229_100000765111 [0,1,0,0,0,1|2,0,0]=4 2263 B21R3.525 Cc1cnccc1OCc2cccc3c2cccc3 34a_100000694293_100011261445 [0,1,0,0,0,1|2,0,0]=4 2264 B21R3.525 Cc1cnccc1OCc2ccnc3c2cccc3 34a_100000694293_100015192512 [0,1,0,0,0,1|1,0,1]=4 2265 B21R3.525 Cc1cnccc1OCc2nccc3c2cccc3 34a_100000694293_100000033776 [0,1,0,0,0,1|2,0,0]=4 2266 B21R3.525 Cc1cnccc1SCc2cccc3c2cccc3 62a_100000765111_100000188474 [0,1,0,0,0,1|2,0,0]=4 2267 B21R3.525 Cc1cnccc1SCc2cccc3c2cccc3 62a_100011261445_100000765111 [0,1,0,0,0,1|2,0,0]=4 2268 B21R3.525 Cc1cnccc1SCc2ccnc3c2cccc3 62a_100000765111_100015192512 [0,1,0,0,0,1|1,0,1]=4 2269 B21R3.525 Cc1cnccc1SCc2ccnc3c2cccc3 62a_100015192512_100000765111 [0,1,0,0,0,1|1,0,1]=4 2270 B21R3.525 Cc1cnccc1SCc2nccc3c2cccc3 62a_100000033776_100000765111 [0,1,0,0,0,1|2,0,0]=4 2271 B21R3.525 Cc1cnccc1SCc2nccc3c2cccc3 62a_100000765111_100000033776 [0,1,0,0,0,1|2,0,0]=4 2272 B21R3.525 Clc1cnccc1CNc2cccc3c2cccc3 207a_100000185869_100011934409 [0,1,0,0,0,1|2,0,0]=4 2273 B21R3.525 Clc1cnccc1COc2cccc3c2cccc3 7a_100000210388_100000763264 [0,1,0,0,0,1|2,0,0]=4 2274 B21R3.525 Clc1cnccc1COc2cncc3c2cccc3 7a_100000066178_100000763264 [0,1,0,0,0,1|1,0,1]=4 2275 B21R3.525 Clc1cnccc1CSc2cccc3c2cccc3 62a_100000763264_100000210605 [0,1,0,0,0,1|2,0,0]=4 2276 B21R3.525 Clc1cnccc1CSc2ccnc3c2cccc3 62a_100000763264_100011215880 [0,1,0,0,0,1|1,0,1]=4 2277 B21R3.525 Clc1cnccc1CSc2ccnc3c2cccc3 62a_100011458314_100000763264 [0,1,0,0,0,1|1,0,1]=4 2278 B21R3.525 Clc1cnccc1CSc2cncc3c2cccc3 62a_100000187577_100000763264 [0,1,0,0,0,1|1,0,1]=4 2279 B21R3.525 Clc1cnccc1CSc2cncc3c2cccc3 62a_100000763264_100000187577 [0,1,0,0,0,1|1,0,1]=4 2280 B21R3.525 Clc1cnccc1CSc2cnnc3c2cccc3 62a_100000763264_100000063506 [0,1,0,0,0,1|1,0,1]=4 2281 B21R3.525 Clc1cnccc1CSc2nccc3c2cccc3 62a_100000763264_100011934041 [0,1,0,0,0,1|2,0,0]=4 2282 B21R3.525 Clc1cnccc1CSc2nccc3c2cccc3 62a_100011934041_100000763264 [0,1,0,0,0,1|2,0,0]=4 2283 B21R3.525 Clc1cnccc1CSc2ncnc3c2cccc3 62a_100000753007_100000763264 [0,1,0,0,0,1|1,0,1]=4 2284 B21R3.525 Clc1cnccc1CSc2ncnc3c2cccc3 62a_100000763264_100000217608 [0,1,0,0,0,1|1,0,1]=4 2285 B21R3.525 Clc1cnccc1OCc2cccc3c2cccc3 34a_100011997054_100011261445 [0,1,0,0,0,1|2,0,0]=4 2286 B21R3.525 Clc1cnccc1OCc2ccnc3c2cccc3 34a_100011997054_100015192512 [0,1,0,0,0,1|1,0,1]=4 2287 B21R3.525 Clc1cnccc1OCc2nccc3c2cccc3 34a_100011997054_100000033776 [0,1,0,0,0,1|2,0,0]=4 2288 B21R3.525 Clc1cnccc1SCc2cccc3c2cccc3 62a_100000708259_100000188474 [0,1,0,0,0,1|2,0,0]=4 2289 B21R3.525 Clc1cnccc1SCc2cccc3c2cccc3 62a_100011261445_100000708259 [0,1,0,0,0,1|2,0,0]=4 2290 B21R3.525 Clc1cnccc1SCc2ccnc3c2cccc3 62a_100000708259_100015192512 [0,1,0,0,0,1|1,0,1]=4 2291 B21R3.525 Clc1cnccc1SCc2ccnc3c2cccc3 62a_100015192512_100000708259 [0,1,0,0,0,1|1,0,1]=4 2292 B21R3.525 Clc1cnccc1SCc2nccc3c2cccc3 62a_100000033776_100000708259 [0,1,0,0,0,1|2,0,0]=4 2293 B21R3.525 Clc1cnccc1SCc2nccc3c2cccc3 62a_100000708259_100000033776 [0,1,0,0,0,1|2,0,0]=4 2294 B21R3.525 Fc1cnccc1CNc2ccnc3c2cccc3 27a_100011935246_100011215880 [0,1,0,0,0,1|1,0,1]=4 2295 B21R3.525 Fc1cnccc1CNc2cnnc3c2cccc3 27a_100011935246_100000063506 [0,1,0,0,0,1|1,0,1]=4 2296 B21R3.525 Fc1cnccc1CNc2nccc3c2cccc3 27a_100011935246_100011934041 [0,1,0,0,0,1|2,0,0]=4 2297 B21R3.525 Fc1cnccc1CNc2ncnc3c2cccc3 27a_100011935246_100000217608 [0,1,0,0,0,1|1,0,1]=4 2298 B21R3.525 Fc1cnccc1NCc2cccc3c2cccc3 27a_100000753325_100000035921 [0,1,0,0,0,1|2,0,0]=4 2299 B21R3.525 Fc1cnccc1NCc2ccnc3c2cccc3 27a_100015187208_100000035921 [0,1,0,0,0,1|1,0,1]=4 2300 B21R3.525 Fc1cnccc1NCc2nccc3c2cccc3 27a_100000735229_100000035921 [0,1,0,0,0,1|2,0,0]=4 2301 B21R3.525 Fc1cnccc1OCc2cccc3c2cccc3 34a_200000081243_100011261445 [0,1,0,0,0,1|2,0,0]=4 2302 B21R3.525 Fc1cnccc1OCc2ccnc3c2cccc3 34a_200000081243_100015192512 [0,1,0,0,0,1|1,0,1]=4 2303 B21R3.525 Fc1cnccc1OCc2nccc3c2cccc3 34a_200000081243_100000033776 [0,1,0,0,0,1|2,0,0]=4 2304 B21R3.525 Fc1cnccc1SCc2cccc3c2cccc3 62a_100000047030_100000188474 [0,1,0,0,0,1|2,0,0]=4 2305 B21R3.525 Fc1cnccc1SCc2cccc3c2cccc3 62a_100011261445_100000047030 [0,1,0,0,0,1|2,0,0]=4 2306 B21R3.525 Fc1cnccc1SCc2ccnc3c2cccc3 62a_100000047030_100015192512 [0,1,0,0,0,1|1,0,1]=4 2307 B21R3.525 Fc1cnccc1SCc2ccnc3c2cccc3 62a_100015192512_100000047030 [0,1,0,0,0,1|1,0,1]=4 2308 B21R3.525 Fc1cnccc1SCc2nccc3c2cccc3 62a_100000033776_100000047030 [0,1,0,0,0,1|2,0,0]=4 2309 B21R3.525 Fc1cnccc1SCc2nccc3c2cccc3 62a_100000047030_100000033776 [0,1,0,0,0,1|2,0,0]=4 2310 B21R3.525 Nc1cnccc1SCc2cccc3c2cccc3 62a_100000756074_100000188474 [0,1,0,0,0,1|2,0,0]=4 2311 B21R3.525 Nc1cnccc1SCc2cccc3c2cccc3 62a_100011261445_100000756074 [0,1,0,0,0,1|2,0,0]=4 2312 B21R3.525 Nc1cnccc1SCc2ccnc3c2cccc3 62a_100000756074_100015192512 [0,1,0,0,0,1|1,0,1]=4 2313 B21R3.525 Nc1cnccc1SCc2ccnc3c2cccc3 62a_100015192512_100000756074 [0,1,0,0,0,1|1,0,1]=4 2314 B21R3.525 Nc1cnccc1SCc2nccc3c2cccc3 62a_100000033776_100000756074 [0,1,0,0,0,1|2,0,0]=4 2315 B21R3.525 Nc1cnccc1SCc2nccc3c2cccc3 62a_100000756074_100000033776 [0,1,0,0,0,1|2,0,0]=4 2316 B21R3.525 Oc1cnccc1SCc2cccc3c2cccc3 62a_100009817591_100000188474 [0,1,0,0,0,1|2,0,0]=4 2317 B21R3.525 Oc1cnccc1SCc2cccc3c2cccc3 62a_100011261445_100009817591 [0,1,0,0,0,1|2,0,0]=4 2318 B21R3.525 Oc1cnccc1SCc2ccnc3c2cccc3 62a_100009817591_100015192512 [0,1,0,0,0,1|1,0,1]=4 2319 B21R3.525 Oc1cnccc1SCc2ccnc3c2cccc3 62a_100015192512_100009817591 [0,1,0,0,0,1|1,0,1]=4 2320 B21R3.525 Oc1cnccc1SCc2nccc3c2cccc3 62a_100000033776_100009817591 [0,1,0,0,0,1|2,0,0]=4 2321 B21R3.525 Oc1cnccc1SCc2nccc3c2cccc3 62a_100009817591_100000033776 [0,1,0,0,0,1|2,0,0]=4 2322 B21R3.8413 Brc1ccc2c(cccc2c1)NCc3ccncc3 207a_100010090037_100000186114 [0,1,0,0,0,1|2,0,0]=4 2323 B21R3.8413 Brc1ccc2c(cccc2c1)OCc3ccncc3 7a_100010202202_100015193705 [0,1,0,0,0,1|2,0,0]=4 2324 B21R3.8413 Cc1ccc2c(nccc2c1)NCc3ccncc3 27a_100000210450_100000102439 [0,1,0,0,0,1|2,0,0]=4 2325 B21R3.8413 Cc1ccc2c(nccc2c1)SCc3ccncc3 62a_100015193705_100000102439 [0,1,0,0,0,1|2,0,0]=4 2326 B21R3.8413 Cc1ccc2c(ncnc2c1)NCc3ccncc3 27a_100000210450_100000099684 [0,1,0,0,0,1|1,0,1]=4 2327 B21R3.8413 Cc1ccc2c(ncnc2c1)SCc3ccncc3 62a_100015193705_100000099684 [0,1,0,0,0,1|1,0,1]=4 2328 B21R3.8413 Clc1ccc2c(ccnc2c1)NCc3ccncc3 27a_100000210450_100012352046 [0,1,0,0,0,1|1,0,1]=4 2329 B21R3.8413 Clc1ccc2c(ccnc2c1)SCc3ccncc3 62a_100012352046_100015193705 [0,1,0,0,0,1|1,0,1]=4 2330 B21R3.8413 Clc1ccc2c(ccnc2c1)SCc3ccncc3 62a_100015193705_100012352046 [0,1,0,0,0,1|1,0,1]=4 2331 B21R3.8413 Fc1ccc2c(cccc2c1)OCc3ccncc3 7a_100009846233_100015193705 [0,1,0,0,0,1|2,0,0]=4 2332 B21R3.8413 Fc1ccc2c(ccnc2c1)NCc3ccncc3 27a_100000210450_100000755548 [0,1,0,0,0,1|1,0,1]=4 2333 B21R3.8413 Fc1ccc2c(ccnc2c1)SCc3ccncc3 62a_100000755548_100015193705 [0,1,0,0,0,1|1,0,1]=4 2334 B21R3.8413 Fc1ccc2c(ccnc2c1)SCc3ccncc3 62a_100015193705_100000755548 [0,1,0,0,0,1|1,0,1]=4 2335 B21R3.8413 Fc1ccc2c(nccc2c1)NCc3ccncc3 27a_100000210450_100000097391 [0,1,0,0,0,1|2,0,0]=4 2336 B21R3.8413 Fc1ccc2c(nccc2c1)SCc3ccncc3 62a_100015193705_100000097391 [0,1,0,0,0,1|2,0,0]=4 2337 B21R3.8413 Fc1ccc2c(ncnc2c1)NCc3ccncc3 27a_100000210450_100000230349 [0,1,0,0,0,1|1,0,1]=4 2338 B21R3.8413 Fc1ccc2c(ncnc2c1)SCc3ccncc3 62a_100015193705_100000230349 [0,1,0,0,0,1|1,0,1]=4 2339 B21R3.8413 Oc1ccc2c(ccnc2c1)NCc3ccncc3 27a_100000210450_100000045489 [0,1,0,0,0,1|1,0,1]=4 2340 B21R3.8413 Oc1ccc2c(ccnc2c1)SCc3ccncc3 62a_100015193705_100000045489 [0,1,0,0,0,1|1,0,1]=4 2341 B21R3.8413 Oc1ccc2c(nccc2c1)SCc3ccncc3 62a_100015193705_100009867704 [0,1,0,0,0,1|2,0,0]=4 2342 B21R3.19514 Brc1cc(c2ccccc2c1)NCc3ccncc3 207a_100010171453_100000186114 [0,1,0,0,0,1|2,0,0]=4 2343 B21R3.19514 Brc1cc(c2ccccc2c1)OCc3ccncc3 7a_100010089979_100015193705 [0,1,0,0,0,1|2,0,0]=4 2344 B21R3.19514 Cc1cc(c2ccccc2n1)COc3ccncc3 34a_100000212176_100000755639 [0,1,0,0,0,1|1,0,1]=4 2345 B21R3.19514 Cc1cc(c2ccccc2n1)CSc3ccncc3 62a_100000728582_100000755639 [0,1,0,0,0,1|1,0,1]=4 2346 B21R3.19514 Cc1cc(c2ccccc2n1)CSc3ccncc3 62a_100000755639_100000728582 [0,1,0,0,0,1|1,0,1]=4 2347 B21R3.19514 Cc1cc(c2ccccc2n1)NCc3ccncc3 27a_100000210450_100000735862 [0,1,0,0,0,1|1,0,1]=4 2348 B21R3.19514 Cc1cc(c2ccccc2n1)SCc3ccncc3 62a_100000764982_100015193705 [0,1,0,0,0,1|1,0,1]=4 2349 B21R3.19514 Cc1cc(c2ccccc2n1)SCc3ccncc3 62a_100015193705_100000735862 [0,1,0,0,0,1|1,0,1]=4 2350 B21R3.19514 Cc1cc2ccccc2c(n1)NCc3ccncc3 27a_100000210450_100000698243 [0,1,0,0,0,1|2,0,0]=4 2351 B21R3.19514 Cc1cc2ccccc2c(n1)SCc3ccncc3 62a_100015193705_100000698243 [0,1,0,0,0,1|2,0,0]=4 2352 B21R3.19514 Cc1nc(c2ccccc2n1)NCc3ccncc3 27a_100000210450_100000230251 [0,1,0,0,0,1|1,0,1]=4 2353 B21R3.19514 Cc1nc(c2ccccc2n1)SCc3ccncc3 62a_100000230251_100015193705 [0,1,0,0,0,1|1,0,1]=4 2354 B21R3.19514 Cc1nc(c2ccccc2n1)SCc3ccncc3 62a_100015193705_100000230251 [0,1,0,0,0,1|1,0,1]=4 2355 B21R3.19514 Clc1cc(c2ccccc2n1)CSc3ccncc3 62a_100000728582_200010137201 [0,1,0,0,0,1|1,0,1]=4 2356 B21R3.19514 Clc1cc(c2ccccc2n1)CSc3ccncc3 62a_200010137201_100000728582 [0,1,0,0,0,1|1,0,1]=4 2357 B21R3.19514 Nc1cc(c2ccccc2c1)SCc3ccncc3 62a_100010089974_100015193705 [0,1,0,0,0,1|2,0,0]=4 2358 B21R3.19514 Nc1cc(c2ccccc2c1)SCc3ccncc3 62a_100015193705_100010089974 [0,1,0,0,0,1|2,0,0]=4 2359 B21R3.19514 Nc1cc2ccccc2c(n1)SCc3ccncc3 62a_100009814382_100015193705 [0,1,0,0,0,1|2,0,0]=4 2360 B21R3.19514 Nc1cc2ccccc2c(n1)SCc3ccncc3 62a_100015193705_100009814382 [0,1,0,0,0,1|2,0,0]=4 2361 B21R3.19514 O=c1cc(c2ccccc2[nH]1)NCc3ccccc3 27a_100015324214_100000075698 [0,1,0,0,0,1|2,0,0]=4 2362 B21R3.19514 O=c1cc(c2ccccc2[nH]1)NCc3ccncc3 27a_100000210450_100000075698 [0,1,0,0,0,1|1,0,0]=3 2363 B21R3.19514 O=c1cc(c2ccccc2[nH]1)NCc3ccncn3 27a_100000736019_100000075698 [0,1,0,0,0,1|2,0,0]=4 2364 B21R3.19514 O=c1cc(c2ccccc2[nH]1)SCc3ccccc3 62a_100000211182_100000075698 [0,1,0,0,0,1|2,0,0]=4 2365 B21R3.19514 O=c1cc(c2ccccc2[nH]1)SCc3ccncc3 62a_100015193705_100000075698 [0,1,0,0,0,1|1,0,0]=3 2366 B21R3.19514 O=c1cc(c2cccnc2[nH]1)NCc3ccncc3 27a_100000210450_100010499609 [0,1,0,0,0,1|2,0,0]=4 2367 B21R3.19514 O=c1cc(c2cccnc2[nH]1)SCc3ccncc3 62a_100015193705_100010499609 [0,1,0,0,0,1|2,0,0]=4 2368 B21R3.19514 Oc1cc(c2ccccc2c1)SCc3ccncc3 62a_100015193705_100010001680 [0,1,0,0,0,1|2,0,0]=4 2369 B21R3.19514 Oc1cc(c2ccccc2n1)CSc3ccncc3 62a_100000728582_100000187625 [0,1,0,0,0,1|1,0,1]=4 2370 B21R3.19514 [O-][n+]1cc(c2ccccc2c1)SCc3ccncc3 62a_100015193705_100009995557 [0,1,0,0,0,1|1,0,1]=4 2371 B21R3.21578 Brc1cc(ccn1)CNc2cccc3c2cccc3 34a_100000185869_100010243470 [0,1,0,0,0,1|2,0,0]=4 2372 B21R3.21578 Brc1cc(ccn1)CNc2ccnc3c2cccc3 27a_100025757509_100011215880 [0,1,0,0,0,1|1,0,1]=4 2373 B21R3.21578 Brc1cc(ccn1)CNc2cnnc3c2cccc3 27a_100025757509_100000063506 [0,1,0,0,0,1|1,0,1]=4 2374 B21R3.21578 Brc1cc(ccn1)CNc2nccc3c2cccc3 27a_100025757509_100011934041 [0,1,0,0,0,1|2,0,0]=4 2375 B21R3.21578 Brc1cc(ccn1)CNc2ncnc3c2cccc3 27a_100025757509_100000217608 [0,1,0,0,0,1|1,0,1]=4 2376 B21R3.21578 Brc1cc(ccn1)COc2cccc3c2cccc3 34a_100000210388_100010243470 [0,1,0,0,0,1|2,0,0]=4 2377 B21R3.21578 Brc1cc(ccn1)COc2cccc3c2cccc3 7a_100000210388_100010254460 [0,1,0,0,0,1|2,0,0]=4 2378 B21R3.21578 Brc1cc(ccn1)COc2cncc3c2cccc3 34a_100000066178_100010243470 [0,1,0,0,0,1|1,0,1]=4 2379 B21R3.21578 Brc1cc(ccn1)COc2cncc3c2cccc3 7a_100000066178_100010254460 [0,1,0,0,0,1|1,0,1]=4 2380 B21R3.21578 Brc1cc(ccn1)COc2nccc3c2cccc3 34a_102531767632_100010243470 [0,1,0,0,0,1|2,0,0]=4 2381 B21R3.21578 Brc1cc(ccn1)CSc2cccc3c2cccc3 62a_100010254460_100000210605 [0,1,0,0,0,1|2,0,0]=4 2382 B21R3.21578 Brc1cc(ccn1)CSc2ccnc3c2cccc3 62a_100010254460_100011215880 [0,1,0,0,0,1|1,0,1]=4 2383 B21R3.21578 Brc1cc(ccn1)CSc2ccnc3c2cccc3 62a_100011458314_100010243470 [0,1,0,0,0,1|1,0,1]=4 2384 B21R3.21578 Brc1cc(ccn1)CSc2cncc3c2cccc3 62a_100000187577_100010243470 [0,1,0,0,0,1|1,0,1]=4 2385 B21R3.21578 Brc1cc(ccn1)CSc2cncc3c2cccc3 62a_100010254460_100000187577 [0,1,0,0,0,1|1,0,1]=4 2386 B21R3.21578 Brc1cc(ccn1)CSc2cnnc3c2cccc3 62a_100010254460_100000063506 [0,1,0,0,0,1|1,0,1]=4 2387 B21R3.21578 Brc1cc(ccn1)CSc2nccc3c2cccc3 62a_100010254460_100011934041 [0,1,0,0,0,1|2,0,0]=4 2388 B21R3.21578 Brc1cc(ccn1)CSc2nccc3c2cccc3 62a_100011934041_100010243470 [0,1,0,0,0,1|2,0,0]=4 2389 B21R3.21578 Brc1cc(ccn1)CSc2ncnc3c2cccc3 62a_100000753007_100010243470 [0,1,0,0,0,1|1,0,1]=4 2390 B21R3.21578 Brc1cc(ccn1)CSc2ncnc3c2cccc3 62a_100010254460_100000217608 [0,1,0,0,0,1|1,0,1]=4 2391 B21R3.21578 Brc1cc(ccn1)SCc2cccc3c2cccc3 62a_100009814637_100000188474 [0,1,0,0,0,1|2,0,0]=4 2392 B21R3.21578 Brc1cc(ccn1)SCc2cccc3c2cccc3 62a_100011261445_100009814637 [0,1,0,0,0,1|2,0,0]=4 2393 B21R3.21578 Brc1cc(ccn1)SCc2ccnc3c2cccc3 62a_100009814637_100015192512 [0,1,0,0,0,1|1,0,1]=4 2394 B21R3.21578 Brc1cc(ccn1)SCc2ccnc3c2cccc3 62a_100015192512_100009814637 [0,1,0,0,0,1|1,0,1]=4 2395 B21R3.21578 Brc1cc(ccn1)SCc2nccc3c2cccc3 62a_100000033776_100009814637 [0,1,0,0,0,1|2,0,0]=4 2396 B21R3.21578 Brc1cc(ccn1)SCc2nccc3c2cccc3 62a_100009814637_100000033776 [0,1,0,0,0,1|2,0,0]=4 2397 B21R3.21578 Cc1cc(ccn1)CNc2cccc3c2cccc3 207a_100000185869_100011361630 [0,1,0,0,0,1|2,0,0]=4 2398 B21R3.21578 Cc1cc(ccn1)CNc2cccc3c2cccc3 34a_100000185869_200020672517 [0,1,0,0,0,1|2,0,0]=4 2399 B21R3.21578 Cc1cc(ccn1)CNc2ccnc3c2cccc3 27a_100011934566_100011215880 [0,1,0,0,0,1|1,0,1]=4 2400 B21R3.21578 Cc1cc(ccn1)CNc2cnnc3c2cccc3 27a_100011934566_100000063506 [0,1,0,0,0,1|1,0,1]=4 2401 B21R3.21578 Cc1cc(ccn1)CNc2nccc3c2cccc3 27a_100011934566_100011934041 [0,1,0,0,0,1|2,0,0]=4 2402 B21R3.21578 Cc1cc(ccn1)CNc2ncnc3c2cccc3 27a_100011934566_100000217608 [0,1,0,0,0,1|1,0,1]=4 2403 B21R3.21578 Cc1cc(ccn1)COc2cccc3c2cccc3 34a_100000210388_200020672517 [0,1,0,0,0,1|2,0,0]=4 2404 B21R3.21578 Cc1cc(ccn1)COc2cccc3c2cccc3 7a_100000210388_200020672517 [0,1,0,0,0,1|2,0,0]=4 2405 B21R3.21578 Cc1cc(ccn1)COc2cncc3c2cccc3 34a_100000066178_200020672517 [0,1,0,0,0,1|1,0,1]=4 2406 B21R3.21578 Cc1cc(ccn1)COc2cncc3c2cccc3 7a_100000066178_200020672517 [0,1,0,0,0,1|1,0,1]=4 2407 B21R3.21578 Cc1cc(ccn1)COc2nccc3c2cccc3 34a_102531767632_200020672517 [0,1,0,0,0,1|2,0,0]=4 2408 B21R3.21578 Cc1cc(ccn1)CSc2cccc3c2cccc3 62a_200020672517_100000210605 [0,1,0,0,0,1|2,0,0]=4 2409 B21R3.21578 Cc1cc(ccn1)CSc2ccnc3c2cccc3 62a_100011458314_200020672517 [0,1,0,0,0,1|1,0,1]=4 2410 B21R3.21578 Cc1cc(ccn1)CSc2ccnc3c2cccc3 62a_200020672517_100011215880 [0,1,0,0,0,1|1,0,1]=4 2411 B21R3.21578 Cc1cc(ccn1)CSc2cncc3c2cccc3 62a_100000187577_200020672517 [0,1,0,0,0,1|1,0,1]=4 2412 B21R3.21578 Cc1cc(ccn1)CSc2cncc3c2cccc3 62a_200020672517_100000187577 [0,1,0,0,0,1|1,0,1]=4 2413 B21R3.21578 Cc1cc(ccn1)CSc2cnnc3c2cccc3 62a_200020672517_100000063506 [0,1,0,0,0,1|1,0,1]=4 2414 B21R3.21578 Cc1cc(ccn1)CSc2nccc3c2cccc3 62a_100011934041_200020672517 [0,1,0,0,0,1|2,0,0]=4 2415 B21R3.21578 Cc1cc(ccn1)CSc2nccc3c2cccc3 62a_200020672517_100011934041 [0,1,0,0,0,1|2,0,0]=4 2416 B21R3.21578 Cc1cc(ccn1)CSc2ncnc3c2cccc3 62a_100000753007_200020672517 [0,1,0,0,0,1|1,0,1]=4 2417 B21R3.21578 Cc1cc(ccn1)CSc2ncnc3c2cccc3 62a_200020672517_100000217608 [0,1,0,0,0,1|1,0,1]=4 2418 B21R3.21578 Cc1cc(ccn1)NCc2cccc3c2cccc3 27a_100000753325_100000758586 [0,1,0,0,0,1|2,0,0]=4 2419 B21R3.21578 Cc1cc(ccn1)NCc2ccnc3c2cccc3 27a_100015187208_100000758586 [0,1,0,0,0,1|1,0,1]=4 2420 B21R3.21578 Cc1cc(ccn1)NCc2nccc3c2cccc3 27a_100000735229_100000758586 [0,1,0,0,0,1|2,0,0]=4 2421 B21R3.21578 Cc1cc(ccn1)OCc2cccc3c2cccc3 34a_100000688365_100011261445 [0,1,0,0,0,1|2,0,0]=4 2422 B21R3.21578 Cc1cc(ccn1)OCc2ccnc3c2cccc3 34a_100000688365_100015192512 [0,1,0,0,0,1|1,0,1]=4 2423 B21R3.21578 Cc1cc(ccn1)OCc2nccc3c2cccc3 34a_100000688365_100000033776 [0,1,0,0,0,1|2,0,0]=4 2424 B21R3.21578 Cc1cc(ccn1)SCc2cccc3c2cccc3 62a_100000758586_100000188474 [0,1,0,0,0,1|2,0,0]=4 2425 B21R3.21578 Cc1cc(ccn1)SCc2cccc3c2cccc3 62a_100011261445_100000758586 [0,1,0,0,0,1|2,0,0]=4 2426 B21R3.21578 Cc1cc(ccn1)SCc2ccnc3c2cccc3 62a_100000758586_100015192512 [0,1,0,0,0,1|1,0,1]=4 2427 B21R3.21578 Cc1cc(ccn1)SCc2ccnc3c2cccc3 62a_100015192512_100000758586 [0,1,0,0,0,1|1,0,1]=4 2428 B21R3.21578 Cc1cc(ccn1)SCc2nccc3c2cccc3 62a_100000033776_100000758586 [0,1,0,0,0,1|2,0,0]=4 2429 B21R3.21578 Cc1cc(ccn1)SCc2nccc3c2cccc3 62a_100000758586_100000033776 [0,1,0,0,0,1|2,0,0]=4 2430 B21R3.21578 Clc1cc(ccn1)CNc2cccc3c2cccc3 34a_100000185869_100000764220 [0,1,0,0,0,1|2,0,0]=4 2431 B21R3.21578 Clc1cc(ccn1)CNc2ccnc3c2cccc3 27a_100015205668_100011215880 [0,1,0,0,0,1|1,0,1]=4 2432 B21R3.21578 Clc1cc(ccn1)CNc2cnnc3c2cccc3 27a_100015205668_100000063506 [0,1,0,0,0,1|1,0,1]=4 2433 B21R3.21578 Clc1cc(ccn1)CNc2nccc3c2cccc3 27a_100015205668_100011934041 [0,1,0,0,0,1|2,0,0]=4 2434 B21R3.21578 Clc1cc(ccn1)CNc2ncnc3c2cccc3 27a_100015205668_100000217608 [0,1,0,0,0,1|1,0,1]=4 2435 B21R3.21578 Clc1cc(ccn1)COc2cccc3c2cccc3 34a_100000210388_100000764220 [0,1,0,0,0,1|2,0,0]=4 2436 B21R3.21578 Clc1cc(ccn1)COc2cccc3c2cccc3 7a_100000210388_100000764220 [0,1,0,0,0,1|2,0,0]=4 2437 B21R3.21578 Clc1cc(ccn1)COc2cncc3c2cccc3 34a_100000066178_100000764220 [0,1,0,0,0,1|1,0,1]=4 2438 B21R3.21578 Clc1cc(ccn1)COc2cncc3c2cccc3 7a_100000066178_100000764220 [0,1,0,0,0,1|1,0,1]=4 2439 B21R3.21578 Clc1cc(ccn1)COc2nccc3c2cccc3 34a_102531767632_100000764220 [0,1,0,0,0,1|2,0,0]=4 2440 B21R3.21578 Clc1cc(ccn1)CSc2cccc3c2cccc3 62a_100000764220_100000210605 [0,1,0,0,0,1|2,0,0]=4 2441 B21R3.21578 Clc1cc(ccn1)CSc2ccnc3c2cccc3 62a_100000764220_100011215880 [0,1,0,0,0,1|1,0,1]=4 2442 B21R3.21578 Clc1cc(ccn1)CSc2ccnc3c2cccc3 62a_100011458314_100000764220 [0,1,0,0,0,1|1,0,1]=4 2443 B21R3.21578 Clc1cc(ccn1)CSc2cncc3c2cccc3 62a_100000187577_100000764220 [0,1,0,0,0,1|1,0,1]=4 2444 B21R3.21578 Clc1cc(ccn1)CSc2cncc3c2cccc3 62a_100000764220_100000187577 [0,1,0,0,0,1|1,0,1]=4 2445 B21R3.21578 Clc1cc(ccn1)CSc2cnnc3c2cccc3 62a_100000764220_100000063506 [0,1,0,0,0,1|1,0,1]=4 2446 B21R3.21578 Clc1cc(ccn1)CSc2nccc3c2cccc3 62a_100000764220_100011934041 [0,1,0,0,0,1|2,0,0]=4 2447 B21R3.21578 Clc1cc(ccn1)CSc2nccc3c2cccc3 62a_100011934041_100000764220 [0,1,0,0,0,1|2,0,0]=4 2448 B21R3.21578 Clc1cc(ccn1)CSc2ncnc3c2cccc3 62a_100000753007_100000764220 [0,1,0,0,0,1|1,0,1]=4 2449 B21R3.21578 Clc1cc(ccn1)CSc2ncnc3c2cccc3 62a_100000764220_100000217608 [0,1,0,0,0,1|1,0,1]=4 2450 B21R3.21578 Clc1cc(ccn1)OCc2cccc3c2cccc3 34a_100000762945_100011261445 [0,1,0,0,0,1|2,0,0]=4 2451 B21R3.21578 Clc1cc(ccn1)OCc2ccnc3c2cccc3 34a_100000762945_100015192512 [0,1,0,0,0,1|1,0,1]=4 2452 B21R3.21578 Clc1cc(ccn1)OCc2nccc3c2cccc3 34a_100000762945_100000033776 [0,1,0,0,0,1|2,0,0]=4 2453 B21R3.21578 Clc1cc(ccn1)SCc2cccc3c2cccc3 62a_100000035001_100000188474 [0,1,0,0,0,1|2,0,0]=4 2454 B21R3.21578 Clc1cc(ccn1)SCc2cccc3c2cccc3 62a_100011261445_100000035001 [0,1,0,0,0,1|2,0,0]=4 2455 B21R3.21578 Clc1cc(ccn1)SCc2ccnc3c2cccc3 62a_100000035001_100015192512 [0,1,0,0,0,1|1,0,1]=4 2456 B21R3.21578 Clc1cc(ccn1)SCc2ccnc3c2cccc3 62a_100015192512_100000035001 [0,1,0,0,0,1|1,0,1]=4 2457 B21R3.21578 Clc1cc(ccn1)SCc2nccc3c2cccc3 62a_100000033776_100000035001 [0,1,0,0,0,1|2,0,0]=4 2458 B21R3.21578 Clc1cc(ccn1)SCc2nccc3c2cccc3 62a_100000035001_100000033776 [0,1,0,0,0,1|2,0,0]=4 2459 B21R3.21578 Fc1cc(ccn1)CNc2ccnc3c2cccc3 27a_100015188774_100011215880 [0,1,0,0,0,1|1,0,1]=4 2460 B21R3.21578 Fc1cc(ccn1)CNc2cnnc3c2cccc3 27a_100015188774_100000063506 [0,1,0,0,0,1|1,0,1]=4 2461 B21R3.21578 Fc1cc(ccn1)CNc2nccc3c2cccc3 27a_100015188774_100011934041 [0,1,0,0,0,1|2,0,0]=4 2462 B21R3.21578 Fc1cc(ccn1)CNc2ncnc3c2cccc3 27a_100015188774_100000217608 [0,1,0,0,0,1|1,0,1]=4 2463 B21R3.21578 Fc1cc(ccn1)NCc2cccc3c2cccc3 27a_100000753325_100009816116 [0,1,0,0,0,1|2,0,0]=4 2464 B21R3.21578 Fc1cc(ccn1)NCc2ccnc3c2cccc3 27a_100015187208_100009816116 [0,1,0,0,0,1|1,0,1]=4 2465 B21R3.21578 Fc1cc(ccn1)NCc2nccc3c2cccc3 27a_100000735229_100009816116 [0,1,0,0,0,1|2,0,0]=4 2466 B21R3.21578 Fc1cc(ccn1)OCc2cccc3c2cccc3 34a_100000732698_100011261445 [0,1,0,0,0,1|2,0,0]=4 2467 B21R3.21578 Fc1cc(ccn1)OCc2ccnc3c2cccc3 34a_100000732698_100015192512 [0,1,0,0,0,1|1,0,1]=4 2468 B21R3.21578 Fc1cc(ccn1)OCc2nccc3c2cccc3 34a_100000732698_100000033776 [0,1,0,0,0,1|2,0,0]=4 2469 B21R3.21578 Fc1cc(ccn1)SCc2cccc3c2cccc3 62a_100009816116_100000188474 [0,1,0,0,0,1|2,0,0]=4 2470 B21R3.21578 Fc1cc(ccn1)SCc2cccc3c2cccc3 62a_100011261445_100009816116 [0,1,0,0,0,1|2,0,0]=4 2471 B21R3.21578 Fc1cc(ccn1)SCc2ccnc3c2cccc3 62a_100009816116_100015192512 [0,1,0,0,0,1|1,0,1]=4 2472 B21R3.21578 Fc1cc(ccn1)SCc2ccnc3c2cccc3 62a_100015192512_100009816116 [0,1,0,0,0,1|1,0,1]=4 2473 B21R3.21578 Fc1cc(ccn1)SCc2nccc3c2cccc3 62a_100000033776_100009816116 [0,1,0,0,0,1|2,0,0]=4 2474 B21R3.21578 Fc1cc(ccn1)SCc2nccc3c2cccc3 62a_100009816116_100000033776 [0,1,0,0,0,1|2,0,0]=4 2475 B21R3.21578 Nc1cc(ccn1)OCc2cccc3c2cccc3 34a_100011834064_100011261445 [0,1,0,0,0,1|2,0,0]=4 2476 B21R3.21578 Nc1cc(ccn1)OCc2ccnc3c2cccc3 34a_100011834064_100015192512 [0,1,0,0,0,1|1,0,1]=4 2477 B21R3.21578 Nc1cc(ccn1)OCc2nccc3c2cccc3 34a_100011834064_100000033776 [0,1,0,0,0,1|2,0,0]=4 2478 B21R3.21578 Nc1cc(ccn1)SCc2cccc3c2cccc3 62a_100000049665_100000188474 [0,1,0,0,0,1|2,0,0]=4 2479 B21R3.21578 Nc1cc(ccn1)SCc2cccc3c2cccc3 62a_100011261445_100000049665 [0,1,0,0,0,1|2,0,0]=4 2480 B21R3.21578 Nc1cc(ccn1)SCc2ccnc3c2cccc3 62a_100000049665_100015192512 [0,1,0,0,0,1|1,0,1]=4 2481 B21R3.21578 Nc1cc(ccn1)SCc2ccnc3c2cccc3 62a_100015192512_100000049665 [0,1,0,0,0,1|1,0,1]=4 2482 B21R3.21578 Nc1cc(ccn1)SCc2nccc3c2cccc3 62a_100000033776_100000049665 [0,1,0,0,0,1|2,0,0]=4 2483 B21R3.21578 Nc1cc(ccn1)SCc2nccc3c2cccc3 62a_100000049665_100000033776 [0,1,0,0,0,1|2,0,0]=4 2484 B21R3.21578 Oc1cc(ccn1)CNc2cccc3c2cccc3 207a_100000185869_100000688113 [0,1,0,0,0,1|2,0,0]=4 2485 B21R3.21578 Oc1cc(ccn1)CNc2ccnc3c2cccc3 27a_100000748557_100011215880 [0,1,0,0,0,1|1,0,1]=4 2486 B21R3.21578 Oc1cc(ccn1)CNc2cnnc3c2cccc3 27a_100000748557_100000063506 [0,1,0,0,0,1|1,0,1]=4 2487 B21R3.21578 Oc1cc(ccn1)CNc2nccc3c2cccc3 27a_100000748557_100011934041 [0,1,0,0,0,1|2,0,0]=4 2488 B21R3.21578 Oc1cc(ccn1)CNc2ncnc3c2cccc3 27a_100000748557_100000217608 [0,1,0,0,0,1|1,0,1]=4 2489 B21R3.22167 Brc1ccc2ccccc2c1OCc3ccncc3 7a_100009996032_100015193705 [0,1,0,0,0,1|2,0,0]=4 2490 B21R3.22167 Brc1ccc2ccccc2c1SCc3ccncc3 62a_100010090040_100015193705 [0,1,0,0,0,1|2,0,0]=4 2491 B21R3.22167 Brc1ccc2ccccc2c1SCc3ccncc3 62a_100015193705_100010090040 [0,1,0,0,0,1|2,0,0]=4 2492 B21R3.22167 Brc1cnc2ccccc2c1SCc3ccncc3 62a_100015193705_200010179490 [0,1,0,0,0,1|1,0,1]=4 2493 B21R3.22167 Brc1cnc2ccccc2c1SCc3ccncc3 62a_200010179490_100015193705 [0,1,0,0,0,1|1,0,1]=4 2494 B21R3.22167 Cc1ccc2ccccc2c1COc3ccncc3 34a_100000212176_100000689653 [0,1,0,0,0,1|2,0,0]=4 2495 B21R3.22167 Cc1ccc2ccccc2c1CSc3ccncc3 62a_100000689653_100000728582 [0,1,0,0,0,1|2,0,0]=4 2496 B21R3.22167 Cc1ccc2ccccc2c1CSc3ccncc3 62a_100000728582_100000689653 [0,1,0,0,0,1|2,0,0]=4 2497 B21R3.22167 Cc1ccc2ccccc2c1NCc3ccncc3 207a_100000688109_100000186114 [0,1,0,0,0,1|2,0,0]=4 2498 B21R3.22167 Cc1ccc2ccccc2c1OCc3ccncc3 7a_100000039261_100015193705 [0,1,0,0,0,1|2,0,0]=4 2499 B21R3.22167 Cc1ccc2ccccc2c1SCc3ccncc3 62a_100000759710_100015193705 [0,1,0,0,0,1|2,0,0]=4 2500 B21R3.22167 Cc1ccc2ccccc2c1SCc3ccncc3 62a_100015193705_100000759710 [0,1,0,0,0,1|2,0,0]=4 2501 B21R3.22167 Cc1cnc2ccccc2c1NCc3ccncc3 27a_100000210450_100000092342 [0,1,0,0,0,1|1,0,1]=4 2502 B21R3.22167 Cc1cnc2ccccc2c1SCc3ccncc3 62a_100015193705_100000092342 [0,1,0,0,0,1|1,0,1]=4 2503 B21R3.22167 Nc1ccc2ccccc2c1SCc3ccncc3 62a_100000705303_100015193705 [0,1,0,0,0,1|2,0,0]=4 2504 B21R3.22167 Nc1ccc2ccccc2c1SCc3ccncc3 62a_100015193705_100000705303 [0,1,0,0,0,1|2,0,0]=4 2505 B21R3.22167 Nc1cnc2ccccc2c1SCc3ccncc3 62a_100009995561_100015193705 [0,1,0,0,0,1|1,0,1]=4 2506 B21R3.22167 Nc1cnc2ccccc2c1SCc3ccncc3 62a_100015193705_100012243074 [0,1,0,0,0,1|1,0,1]=4 2507 B21R3.22167 Nc1ncc2ccccc2c1SCc3ccncc3 62a_100009994184_100015193705 [0,1,0,0,0,1|1,0,1]=4 2508 B21R3.22167 Nc1ncc2ccccc2c1SCc3ccncc3 62a_100015193705_100009994184 [0,1,0,0,0,1|1,0,1]=4 2509 B21R3.22167 Oc1ccc2ccccc2c1SCc3ccncc3 62a_100015193705_100000183829 [0,1,0,0,0,1|2,0,0]=4 2510 B21R3.24493 CN(Cc1ccncc1)c2cccc3c2cccc3 2230a_100000220138_100015193705 [0,1,0,0,0,1|2,0,0]=4 2511 B21R3.24493 CN(Cc1ccncc1)c2cccc3c2cccc3 269982a_100000220138_100015193705 [0,1,0,0,0,1|2,0,0]=4 2512 B21R3.24493 CN(Cc1ccncc1)c2ccnc3c2cccc3 27a_100000187231_100011215880 [0,1,0,0,0,1|1,0,1]=4 2513 B21R3.24493 CN(Cc1ccncc1)c2cnnc3c2cccc3 27a_100000187231_100000063506 [0,1,0,0,0,1|1,0,1]=4 2514 B21R3.24493 CN(Cc1ccncc1)c2nccc3c2cccc3 27a_100000187231_100011934041 [0,1,0,0,0,1|2,0,0]=4 2515 B21R3.24493 CN(Cc1ccncc1)c2ncnc3c2cccc3 27a_100000187231_100000217608 [0,1,0,0,0,1|1,0,1]=4 2516 B21R3.24493 O=C(Cc1ccncc1)c2cccc3c2cccc3 1458a_100000210949_100000705612 [0,1,0,0,0,1|1,0,1]=4 2517 B21R3.155183 Brc1ccc2cccc(c2c1)NCc3ccncc3 207a_100010090012_100000186114 [0,1,0,0,0,1|2,0,0]=4 2518 B21R3.155183 Brc1ccc2cccc(c2c1)OCc3ccncc3 7a_100010089991_100015193705 [0,1,0,0,0,1|2,0,0]=4 2519 B21R3.155183 Brc1ccc2cncc(c2c1)OCc3ccncc3 7a_100010136424_100015193705 [0,1,0,0,0,1|1,0,1]=4 2520 B21R3.155183 Brc1ccc2nccc(c2c1)NCc3ccncc3 27a_100000210450_100010189052 [0,1,0,0,0,1|1,0,1]=4 2521 B21R3.155183 Brc1ccc2nccc(c2c1)SCc3ccncc3 62a_100010189052_100015193705 [0,1,0,0,0,1|1,0,1]=4 2522 B21R3.155183 Brc1ccc2nccc(c2c1)SCc3ccncc3 62a_100015193705_100010189052 [0,1,0,0,0,1|1,0,1]=4 2523 B21R3.155183 Cc1ccc2cccc(c2c1)OCc3ccncc3 7a_100000040781_100015193705 [0,1,0,0,0,1|2,0,0]=4 2524 B21R3.155183 Cc1ccc2cncc(c2c1)SCc3ccncc3 62a_100015193705_100009817139 [0,1,0,0,0,1|1,0,1]=4 2525 B21R3.155183 Cc1ccc2nccc(c2c1)NCc3ccncc3 27a_100000210450_100000751279 [0,1,0,0,0,1|1,0,1]=4 2526 B21R3.155183 Cc1ccc2nccc(c2c1)SCc3ccncc3 62a_100015193705_100000751279 [0,1,0,0,0,1|1,0,1]=4 2527 B21R3.155183 Cc1ccc2ncnc(c2c1)NCc3ccncc3 27a_100000210450_100000743341 [0,1,0,0,0,1|1,0,1]=4 2528 B21R3.155183 Cc1ccc2ncnc(c2c1)SCc3ccncc3 62a_100015193705_100000743341 [0,1,0,0,0,1|1,0,1]=4 2529 B21R3.155183 Clc1ccc2cccc(c2c1)OCc3ccncc3 7a_100009840344_100015193705 [0,1,0,0,0,1|2,0,0]=4 2530 B21R3.155183 Fc1ccc2cccc(c2c1)OCc3ccncc3 7a_100009881884_100015193705 [0,1,0,0,0,1|2,0,0]=4 2531 B21R3.155183 Fc1ccc2ccnc(c2c1)NCc3ccncc3 27a_100000210450_100010202866 [0,1,0,0,0,1|2,0,0]=4 2532 B21R3.155183 Fc1ccc2ccnc(c2c1)SCc3ccncc3 62a_100010202866_100015193705 [0,1,0,0,0,1|2,0,0]=4 2533 B21R3.155183 Fc1ccc2ccnc(c2c1)SCc3ccncc3 62a_100015193705_100010202866 [0,1,0,0,0,1|2,0,0]=4 2534 B21R3.155183 Fc1ccc2nccc(c2c1)NCc3ccncc3 27a_100000210450_100011217270 [0,1,0,0,0,1|1,0,1]=4 2535 B21R3.155183 Fc1ccc2nccc(c2c1)SCc3ccncc3 62a_100011217270_100015193705 [0,1,0,0,0,1|1,0,1]=4 2536 B21R3.155183 Fc1ccc2nccc(c2c1)SCc3ccncc3 62a_100015193705_100011217270 [0,1,0,0,0,1|1,0,1]=4 2537 B21R3.155183 Fc1ccc2ncnc(c2c1)NCc3ccncc3 27a_100000210450_100000743340 [0,1,0,0,0,1|1,0,1]=4 2538 B21R3.155183 Fc1ccc2ncnc(c2c1)SCc3ccncc3 62a_100015193705_100000743340 [0,1,0,0,0,1|1,0,1]=4 2539 B21R3.155183 Nc1ccc2cccc(c2c1)OCc3ccncc3 7a_100132313934_100015193705 [0,1,0,0,0,1|2,0,0]=4 2540 B21R3.155183 Nc1ccc2nccc(c2c1)NCc3ccncc3 27a_100000210450_100009879071 [0,1,0,0,0,1|1,0,1]=4 2541 B21R3.155183 Nc1ccc2nccc(c2c1)SCc3ccncc3 62a_100010074812_100015193705 [0,1,0,0,0,1|1,0,1]=4 2542 B21R3.155183 Nc1ccc2nccc(c2c1)SCc3ccncc3 62a_100015193705_100009879071 [0,1,0,0,0,1|1,0,1]=4 2543 B21R3.155183 Oc1ccc2cccc(c2c1)SCc3ccncc3 62a_100015193705_100010169565 [0,1,0,0,0,1|2,0,0]=4 2544 B21R3.155183 Oc1ccc2ccnc(c2c1)SCc3ccncc3 62a_100015193705_200009844553 [0,1,0,0,0,1|2,0,0]=4 2545 B21R3.155183 Oc1ccc2nccc(c2c1)SCc3ccncc3 62a_100015193705_100000075933 [0,1,0,0,0,1|1,0,1]=4 2546 B21R3.393077 Brc1cccc2c1cccc2NCc3ccncc3 207a_100009816864_100000186114 [0,1,0,0,0,1|2,0,0]=4 2547 B21R3.393077 Brc1cccc2c1cccc2OCc3ccncc3 7a_100010003857_100015193705 [0,1,0,0,0,1|2,0,0]=4 2548 B21R3.393077 Cc1cccc2c1ccnc2NCc3ccncc3 27a_100000210450_100012002547 [0,1,0,0,0,1|2,0,0]=4 2549 B21R3.393077 Cc1cccc2c1ccnc2SCc3ccncc3 62a_100015193705_100012002547 [0,1,0,0,0,1|2,0,0]=4 2550 B21R3.393077 Cc1cccc2c1nccc2NCc3ccncc3 27a_100000210450_100000751276 [0,1,0,0,0,1|1,0,1]=4 2551 B21R3.393077 Cc1cccc2c1nccc2SCc3ccncc3 62a_100015193705_100000751276 [0,1,0,0,0,1|1,0,1]=4 2552 B21R3.393077 Cc1cccc2c1ncnc2NCc3ccncc3 27a_100000210450_100000751292 [0,1,0,0,0,1|1,0,1]=4 2553 B21R3.393077 Cc1cccc2c1ncnc2SCc3ccncc3 62a_100015193705_100000751292 [0,1,0,0,0,1|1,0,1]=4 2554 B21R3.393077 Clc1cccc2c1cccc2NCc3ccncc3 207a_100000077128_100000186114 [0,1,0,0,0,1|2,0,0]=4 2555 B21R3.393077 Fc1cccc2c1cccc2SCc3ccncc3 62a_100009817034_100015193705 [0,1,0,0,0,1|2,0,0]=4 2556 B21R3.393077 Fc1cccc2c1cccc2SCc3ccncc3 62a_100015193705_100009817034 [0,1,0,0,0,1|2,0,0]=4 2557 B21R3.393077 Fc1cccc2c1ccnc2NCc3ccncc3 27a_100000210450_100012180906 [0,1,0,0,0,1|2,0,0]=4 2558 B21R3.393077 Fc1cccc2c1ccnc2SCc3ccncc3 62a_100015193705_100012180906 [0,1,0,0,0,1|2,0,0]=4 2559 B21R3.393077 Fc1cccc2c1cncc2SCc3ccncc3 62a_100010740057_100015193705 [0,1,0,0,0,1|1,0,1]=4 2560 B21R3.393077 Fc1cccc2c1cncc2SCc3ccncc3 62a_100015193705_100010740057 [0,1,0,0,0,1|1,0,1]=4 2561 B21R3.393077 Fc1cccc2c1nccc2NCc3ccncc3 27a_100000210450_100000751275 [0,1,0,0,0,1|1,0,1]=4 2562 B21R3.393077 Fc1cccc2c1nccc2SCc3ccncc3 62a_100011934723_100015193705 [0,1,0,0,0,1|1,0,1]=4 2563 B21R3.393077 Fc1cccc2c1nccc2SCc3ccncc3 62a_100015193705_100011934723 [0,1,0,0,0,1|1,0,1]=4 2564 B21R3.393077 Fc1cccc2c1ncnc2NCc3ccncc3 27a_100000210450_100000693626 [0,1,0,0,0,1|1,0,1]=4 2565 B21R3.393077 Fc1cccc2c1ncnc2SCc3ccncc3 62a_100015193705_100000693626 [0,1,0,0,0,1|1,0,1]=4 2566 B21R3.393077 Nc1cccc2c1cccc2SCc3ccncc3 62a_100009816864_100015193705 [0,1,0,0,0,1|2,0,0]=4 2567 B21R3.393077 Nc1cccc2c1ccnc2NCc3ccncc3 27a_100000210450_100000070072 [0,1,0,0,0,1|2,0,0]=4 2568 B21R3.393077 Nc1cccc2c1ccnc2SCc3ccncc3 62a_100015193705_100000070072 [0,1,0,0,0,1|2,0,0]=4 2569 B21R3.393077 Nc1cccc2c1nccc2NCc3ccncc3 27a_100000210450_100009892510 [0,1,0,0,0,1|1,0,1]=4 2570 B21R3.393077 Nc1cccc2c1nccc2SCc3ccncc3 62a_100015193705_100009892510 [0,1,0,0,0,1|1,0,1]=4 2571 B21R3.393077 Oc1cccc2c1cccc2NCc3ccncc3 207a_100000210686_100000186114 [0,1,0,0,0,1|2,0,0]=4 2572 B21R3.393077 Oc1cccc2c1cccc2SCc3ccncc3 62a_100015193705_100010003857 [0,1,0,0,0,1|2,0,0]=4 2573 B21R3.393077 Oc1cccc2c1nccc2NCc3ccncc3 27a_100000210450_100000703299 [0,1,0,0,0,1|1,0,1]=4 2574 B21R3.393077 Oc1cccc2c1nccc2SCc3ccncc3 62a_100015193705_100000703299 [0,1,0,0,0,1|1,0,1]=4 2575 B21R3.433959 Brc1ccc(c2c1cccc2)COc3ccncc3 34a_100000212176_100012352185 [0,1,0,0,0,1|2,0,0]=4 2576 B21R3.433959 Brc1ccc(c2c1cccc2)CSc3ccncc3 62a_100000728582_100012352185 [0,1,0,0,0,1|2,0,0]=4 2577 B21R3.433959 Brc1ccc(c2c1cccc2)CSc3ccncc3 62a_100012352185_100000728582 [0,1,0,0,0,1|2,0,0]=4 2578 B21R3.433959 Brc1ccc(c2c1cccc2)NCc3ccncc3 207a_100000766797_100000186114 [0,1,0,0,0,1|2,0,0]=4 2579 B21R3.433959 Brc1ccc(c2c1cccc2)OCc3ccncc3 7a_100000186334_100015193705 [0,1,0,0,0,1|2,0,0]=4 2580 B21R3.433959 Brc1ccc(c2c1cccc2)SCc3ccncc3 62a_100012339872_100015193705 [0,1,0,0,0,1|2,0,0]=4 2581 B21R3.433959 Brc1ccc(c2c1cccc2)SCc3ccncc3 62a_100015193705_100012339872 [0,1,0,0,0,1|2,0,0]=4 2582 B21R3.433959 Cc1ccc(c2c1cccc2)COc3ccncc3 34a_100000212176_100012073487 [0,1,0,0,0,1|2,0,0]=4 2583 B21R3.433959 Cc1ccc(c2c1cccc2)CSc3ccncc3 62a_100000728582_100012073487 [0,1,0,0,0,1|2,0,0]=4 2584 B21R3.433959 Cc1ccc(c2c1cccc2)CSc3ccncc3 62a_100012073487_100000728582 [0,1,0,0,0,1|2,0,0]=4 2585 B21R3.433959 Cc1ccc(c2c1cccc2)OCc3ccncc3 7a_100000074455_100015193705 [0,1,0,0,0,1|2,0,0]=4 2586 B21R3.433959 Cc1ccc(c2c1cccc2)SCc3ccncc3 62a_100011215156_100015193705 [0,1,0,0,0,1|2,0,0]=4 2587 B21R3.433959 Cc1ccc(c2c1cccc2)SCc3ccncc3 62a_100015193705_100011215156 [0,1,0,0,0,1|2,0,0]=4 2588 B21R3.433959 Cc1cnc(c2c1cccc2)NCc3ccncc3 27a_100000210450_100000112005 [0,1,0,0,0,1|2,0,0]=4 2589 B21R3.433959 Cc1cnc(c2c1cccc2)SCc3ccncc3 62a_100015193705_100000112005 [0,1,0,0,0,1|2,0,0]=4 2590 B21R3.433959 Cc1ncc(c2c1cccc2)SCc3ccncc3 62a_100010239772_100015193705 [0,1,0,0,0,1|1,0,1]=4 2591 B21R3.433959 Cc1ncc(c2c1cccc2)SCc3ccncc3 62a_100015193705_100010239772 [0,1,0,0,0,1|1,0,1]=4 2592 B21R3.433959 Clc1ccc(c2c1cccc2)NCc3ccncc3 207a_100011216319_100000186114 [0,1,0,0,0,1|2,0,0]=4 2593 B21R3.433959 Clc1ccc(c2c1cccc2)OCc3ccncc3 7a_100000211000_100015193705 [0,1,0,0,0,1|2,0,0]=4 2594 B21R3.433959 Clc1ncc(c2c1cccc2)OCc3ccncc3 7a_100000067196_100015193705 [0,1,0,0,0,1|1,0,1]=4 2595 B21R3.433959 Fc1ccc(c2c1cccc2)COc3ccncc3 34a_100000212176_100011988723 [0,1,0,0,0,1|2,0,0]=4 2596 B21R3.433959 Fc1ccc(c2c1cccc2)CSc3ccncc3 62a_100000728582_100011988723 [0,1,0,0,0,1|2,0,0]=4 2597 B21R3.433959 Fc1ccc(c2c1cccc2)CSc3ccncc3 62a_100011988723_100000728582 [0,1,0,0,0,1|2,0,0]=4 2598 B21R3.433959 Fc1ccc(c2c1cccc2)NCc3ccncc3 207a_100011988692_100000186114 [0,1,0,0,0,1|2,0,0]=4 2599 B21R3.433959 Fc1ccc(c2c1cccc2)OCc3ccncc3 7a_100000100223_100015193705 [0,1,0,0,0,1|2,0,0]=4 2600 B21R3.433959 Fc1ccc(c2c1cccc2)SCc3ccncc3 62a_100011218216_100015193705 [0,1,0,0,0,1|2,0,0]=4 2601 B21R3.433959 Fc1ccc(c2c1cccc2)SCc3ccncc3 62a_100015193705_100011218216 [0,1,0,0,0,1|2,0,0]=4 2602 B21R3.433959 Nc1ccc(c2c1cccc2)OCc3ccncc3 7a_100000705857_100015193705 [0,1,0,0,0,1|2,0,0]=4 2603 B21R3.433959 Nc1ccc(c2c1cccc2)SCc3ccncc3 62a_100000766797_100015193705 [0,1,0,0,0,1|2,0,0]=4 2604 B21R3.433959 Nc1cnc(c2c1cccc2)SCc3ccncc3 62a_100015193705_200009868590 [0,1,0,0,0,1|2,0,0]=4 2605 B21R3.433959 Nc1ncc(c2c1cccc2)SCc3ccncc3 62a_100010158575_100015193705 [0,1,0,0,0,1|1,0,1]=4 2606 B21R3.433959 Nc1ncc(c2c1cccc2)SCc3ccncc3 62a_100015193705_100010158575 [0,1,0,0,0,1|1,0,1]=4 2607 B21R3.433959 O=c1[nH]cc(c2c1cccn2)SCc3ccncc3 62a_100015193705_100009998689 [0,1,0,0,0,1|2,0,0]=4 2608 B21R3.433959 O=c1[nH]cc(c2c1cncc2)SCc3ccncc3 62a_100015193705_100010090797 [0,1,0,0,0,1|2,0,0]=4 2609 B21R3.433959 O=c1[nH]nc(c2c1cccc2)SCc3ccncc3 62a_100015193705_100010235092 [0,1,0,0,0,1|2,0,0]=4 2610 B21R3.433959 Oc1ccc(c2c1cccc2)SCc3ccncc3 62a_100015193705_100000186334 [0,1,0,0,0,1|2,0,0]=4 2611 B21R3.433959 Oc1cnc(c2c1cccc2)SCc3ccncc3 62a_100015193705_100000067196 [0,1,0,0,0,1|2,0,0]=4 2612 B21R3.433959 Oc1ncc(c2c1cccc2)SCc3ccncc3 62a_100015193705_100009816523 [0,1,0,0,0,1|1,0,1]=4 2613 B21R3.521193 CC(Cc1cccc2c1cccc2)c3ccccc3 271570a_100000062452_100000210605 [0,1,0,0,0,1|2,0,0]=4 2614 B21R3.521193 CC(Cc1ccnc2c1cccc2)c3ccccc3 271570a_100000062452_100011215880 [0,1,0,0,0,1|1,0,1]=4 2615 B21R3.521193 CC(Cc1cncc2c1cccc2)c3ccccc3 271570a_100000062452_100000187577 [0,1,0,0,0,1|1,0,1]=4 2616 B21R3.521193 CC(Cc1cnnc2c1cccc2)c3ccccc3 271570a_100000062452_100000063506 [0,1,0,0,0,1|1,0,1]=4 2617 B21R3.521193 CC(Cc1nccc2c1cccc2)c3ccccc3 271570a_100000062452_100011934041 [0,1,0,0,0,1|2,0,0]=4 2618 B21R3.521193 CC(Cc1ncnc2c1cccc2)c3ccccc3 271570a_100000062452_100000217608 [0,1,0,0,0,1|1,0,1]=4 2619 B21R3.521193 CC(Nc1ccnc2c1cccc2)c3ccncc3 27a_100000181269_100011215880 [0,1,0,0,0,1|1,0,1]=4 2620 B21R3.521193 CC(Nc1cnnc2c1cccc2)c3ccncc3 27a_100000181269_100000063506 [0,1,0,0,0,1|1,0,1]=4 2621 B21R3.521193 CC(Nc1nccc2c1cccc2)c3ccncc3 27a_100000181269_100011934041 [0,1,0,0,0,1|2,0,0]=4 2622 B21R3.521193 CC(Nc1ncnc2c1cccc2)c3ccncc3 27a_100000181269_100000217608 [0,1,0,0,0,1|1,0,1]=4 2623 B21R3.6679883 Brc1cccc2c1c(ccc2)NCc3ccncc3 207a_100010002837_100000186114 [0,1,0,0,0,1|2,0,0]=4 2624 B21R3.6679883 Brc1cccc2c1c(ccc2)OCc3ccncc3 7a_100010089961_100015193705 [0,1,0,0,0,1|2,0,0]=4 2625 B21R3.6679883 Brc1cccc2c1c(ccc2)SCc3ccncc3 62a_100010243825_100015193705 [0,1,0,0,0,1|2,0,0]=4 2626 B21R3.6679883 Brc1cccc2c1c(ccc2)SCc3ccncc3 62a_100015193705_100010243825 [0,1,0,0,0,1|2,0,0]=4 2627 B21R3.6679883 Cc1cccc2c1c(ccc2)NCc3ccncc3 207a_100009841044_100000186114 [0,1,0,0,0,1|2,0,0]=4 2628 B21R3.6679883 Cc1cccc2c1c(ccc2)NCc3ccncc3 7a_100009841044_100015193705 [0,1,0,0,0,1|2,0,0]=4 2629 B21R3.6679883 Cc1cccc2c1c(ccc2)SCc3ccncc3 62a_100015193705_100009995290 [0,1,0,0,0,1|2,0,0]=4 2630 B21R3.6679883 Clc1cccc2c1c(ccc2)NCc3ccncc3 207a_100009857565_100000186114 [0,1,0,0,0,1|2,0,0]=4 2631 B21R3.6679883 Fc1cccc2c1c(ccc2)NCc3ccncc3 207a_100009878580_100000186114 [0,1,0,0,0,1|2,0,0]=4 2632 B21R3.6679883 Fc1cccc2c1c(ccc2)NCc3ccncc3 7a_100009878580_100015193705 [0,1,0,0,0,1|2,0,0]=4 2633 B21R3.6679883 Fc1cccc2c1c(ccc2)SCc3ccncc3 62a_100010177852_100015193705 [0,1,0,0,0,1|2,0,0]=4 2634 B21R3.6679883 Fc1cccc2c1c(ccc2)SCc3ccncc3 62a_100015193705_100010177852 [0,1,0,0,0,1|2,0,0]=4 2635 B21R3.6679883 Fc1cccc2c1c(ncn2)NCc3ccncc3 27a_100000210450_100000743342 [0,1,0,0,0,1|1,0,1]=4 2636 B21R3.6679883 Fc1cccc2c1c(ncn2)SCc3ccncc3 62a_100000743342_100015193705 [0,1,0,0,0,1|1,0,1]=4 2637 B21R3.6679883 Fc1cccc2c1c(ncn2)SCc3ccncc3 62a_100015193705_100000743342 [0,1,0,0,0,1|1,0,1]=4 2638 B21R3.6679883 Nc1cccc2c1c(ccc2)SCc3ccncc3 62a_100010002837_100015193705 [0,1,0,0,0,1|2,0,0]=4 2639 B21R3.6679883 Nc1cccc2c1c(ccn2)NCc3ccncc3 27a_100000210450_100010263589 [0,1,0,0,0,1|1,0,1]=4 2640 B21R3.6679883 Nc1cccc2c1c(cnc2)SCc3ccncc3 62a_100000720362_100015193705 [0,1,0,0,0,1|1,0,1]=4 2641 B21R3.6679883 Nc1cccc2c1c(cnc2)SCc3ccncc3 62a_100015193705_100000720362 [0,1,0,0,0,1|1,0,1]=4 2642 B21R3.6679883 Oc1cccc2c1c(ccc2)SCc3ccncc3 62a_100015193705_100010089961 [0,1,0,0,0,1|2,0,0]=4 2643 B21R3.623 CC(COc1csc2c1cccc2)c3ccccc3 34a_100000077758_100000756946 [0,1,0,0,0,1|2,0,0]=4 2644 B21R3.623 CC(COc1csc2c1cccc2)c3ccccc3 7a_100000077758_100000756946 [0,1,0,0,0,1|2,0,0]=4 2645 B21R3.623 CC(CSc1c[nH]c2c1cccn2)c3ccccc3 62a_100000756946_100011934613 [0,1,0,0,0,1|2,0,0]=4 2646 B21R3.623 CC(CSc1c[nH]c2c1ccnc2)c3ccccc3 62a_100000756946_100010232032 [0,1,0,0,0,1|2,0,0]=4 2647 B21R3.623 CC(CSc1c[nH]c2c1cncc2)c3ccccc3 62a_100000756946_100000753697 [0,1,0,0,0,1|2,0,0]=4 2648 B21R3.623 CC(CSc1c[nH]c2c1nccc2)c3ccccc3 62a_100000756946_100009817151 [0,1,0,0,0,1|2,0,0]=4 2649 B21R3.623 CC(CSc1coc2c1cccc2)c3ccccc3 62a_100000756946_100009812202 [0,1,0,0,0,1|2,0,0]=4 2650 B21R3.623 CC(CSc1csc2c1cccc2)c3ccccc3 62a_100000756946_100009813928 [0,1,0,0,0,1|2,0,0]=4 2651 B21R3.623 CC(CSc1n[nH]c2c1cccc2)c3ccccc3 62a_100000756946_100000050141 [0,1,0,0,0,1|2,0,0]=4 2652 B21R3.623 CC(NCc1[nH]nc2c1cccc2)c3ccncc3 269862a_100011642502_100000185792 [0,1,0,0,0,1|1,0,1]=4 2653 B21R3.623 CC(NCc1c[nH]c2c1ccnc2)c3ccncc3 270004a_100000181269_100000087688 [0,1,0,0,0,1|1,0,0]=3 2654 B21R3.623 CC(NCc1cnc2n1cccc2)c3ccncc3 207a_100000181269_100000052358 [0,1,0,0,0,1|1,0,1]=4 2655 B21R3.623 CC(NCc1cnc2n1cccc2)c3ccncc3 269862a_100015187830_100000185792 [0,1,0,0,0,1|1,0,1]=4 2656 B21R3.623 CC(NCc1cnc2n1cccc2)c3ccncc3 270004a_100000181269_100000052358 [0,1,0,0,0,1|1,0,1]=4 2657 B21R3.623 CC(NCc1cnn2c1cccc2)c3ccncc3 207a_100000181269_100011787723 [0,1,0,0,0,1|1,0,1]=4 2658 B21R3.623 CC(NCc1cnn2c1cccc2)c3ccncc3 270004a_100000181269_100011787723 [0,1,0,0,0,1|1,0,1]=4 2659 B21R3.623 CC(NCc1coc2c1cccc2)c3ccncc3 207a_100000181269_100000688544 [0,1,0,0,0,1|1,0,0]=3 2660 B21R3.623 CC(NCc1coc2c1cccc2)c3ccncc3 270004a_100000181269_100000688544 [0,1,0,0,0,1|1,0,0]=3 2661 B21R3.623 CC(NCc1csc2c1cccc2)c3ccccc3 269862a_100000744611_100000185851 [0,1,0,0,0,1|2,0,0]=4 2662 B21R3.623 CC(NCc1csc2c1cccc2)c3ccccc3 34a_100000744611_100000211855 [0,1,0,0,0,1|2,0,0]=4 2663 B21R3.623 CC(NCc1csc2c1cccc2)c3ccncc3 207a_100000181269_100000239721 [0,1,0,0,0,1|1,0,0]=3 2664 B21R3.623 CC(NCc1csc2c1cccc2)c3ccncc3 2230a_100000181269_200000742921 [0,1,0,0,0,1|1,0,0]=3 2665 B21R3.623 CC(NCc1csc2c1cccc2)c3ccncc3 269862a_100000744611_100000185792 [0,1,0,0,0,1|1,0,0]=3 2666 B21R3.623 CC(NCc1csc2c1cccc2)c3ccncc3 270004a_100000181269_100000239721 [0,1,0,0,0,1|1,0,0]=3 2667 B21R3.623 CC(NCc1csc2c1cccc2)c3ccnnc3 269862a_100000744611_100012182992 [0,1,0,0,0,1|2,0,0]=4 2668 B21R3.623 CC(NCc1n[nH]c2c1cccc2)c3ccncc3 207a_100000181269_100000059708 [0,1,0,0,0,1|1,0,0]=3 2669 B21R3.623 CC(NCc1n[nH]c2c1cccc2)c3ccncc3 270004a_100000181269_100000059708 [0,1,0,0,0,1|1,0,0]=3 2670 B21R3.623 CC(OCc1csc2c1cccc2)c3ccccc3 34a_100011219454_100000211855 [0,1,0,0,0,1|2,0,0]=4 2671 B21R3.623 CC(SCc1csc2c1cccc2)c3ccccc3 62a_100000230085_200000742921 [0,1,0,0,0,1|2,0,0]=4 2672 B21R3.623 CC(SCc1csc2c1cccc2)c3ccccc3 62a_200000742921_100000230085 [0,1,0,0,0,1|2,0,0]=4 2673 B21R3.623 CN(CCc1c[nH]c2c1cccc2)c3ccccc3 2230a_100000210012_100011218569 [0,1,0,0,0,1|1,0,0]=3 2674 B21R3.623 CN(CCc1c[nH]c2c1cccc2)c3ccccc3 269982a_100000210012_100011218569 [0,1,0,0,0,1|1,0,0]=3 2675 B21R3.623 CN(CCc1c[nH]c2c1cccc2)c3ccccc3 34a_100000210012_100011218569 [0,1,0,0,0,1|1,0,0]=3 2676 B21R3.623 CN(CCc1c[nH]c2c1cccn2)c3ccccc3 2230a_100000210012_100009895007 [0,1,0,0,0,1|2,0,0]=4 2677 B21R3.623 CN(CCc1c[nH]c2c1cccn2)c3ccccc3 269982a_100000210012_100009895007 [0,1,0,0,0,1|2,0,0]=4 2678 B21R3.623 C[C@@H](NCc1c[nH]c2c1ccnc2)c3ccccc3 270004a_100000751104_100000087688 [0,1,0,0,0,1|2,0,0]=4 2679 B21R3.623 C[C@@H](NCc1coc2c1cccc2)c3ccccc3 207a_100000751104_100000688544 [0,1,0,0,0,1|2,0,0]=4 2680 B21R3.623 C[C@@H](NCc1coc2c1cccc2)c3ccccc3 270004a_100000751104_100000688544 [0,1,0,0,0,1|2,0,0]=4 2681 B21R3.623 C[C@@H](NCc1csc2c1cccc2)c3ccccc3 207a_100000751104_100000239721 [0,1,0,0,0,1|2,0,0]=4 2682 B21R3.623 C[C@@H](NCc1csc2c1cccc2)c3ccccc3 2230a_100000751104_200000742921 [0,1,0,0,0,1|2,0,0]=4 2683 B21R3.623 C[C@@H](NCc1csc2c1cccc2)c3ccccc3 270004a_100000751104_100000239721 [0,1,0,0,0,1|2,0,0]=4 2684 B21R3.623 C[C@@H](NCc1n[nH]c2c1cccc2)c3ccccc3 207a_100000751104_100000059708 [0,1,0,0,0,1|2,0,0]=4 2685 B21R3.623 C[C@@H](NCc1n[nH]c2c1cccc2)c3ccccc3 270004a_100000751104_100000059708 [0,1,0,0,0,1|2,0,0]=4 2686 B21R3.623 C[C@@H](OCc1csc2c1cccc2)c3ccccc3 34a_100000761318_200000742921 [0,1,0,0,0,1|2,0,0]=4 2687 B21R3.623 O=C(CCc1c[nH]c2c1cccc2)c3ccccc3 1458a_100000185807_100011218569 [0,1,0,0,0,1|1,0,0]=3 2688 B21R3.623 O=C(CCc1c[nH]c2c1cccn2)c3ccccc3 1458a_100000185807_100009895007 [0,1,0,0,0,1|2,0,0]=4 2689 B21R3.623 O=C(COc1csc2c1cccc2)c3ccncc3 7a_100000077758_100015248511 [0,1,0,0,0,1|1,0,1]=4 2690 B21R3.623 O=C(CSc1c[nH]c2c1cccn2)c3ccncc3 62a_100000027454_100011934613 [0,1,0,0,0,1|1,0,1]=4 2691 B21R3.623 O=C(CSc1c[nH]c2c1ccnc2)c3ccncc3 62a_100000027454_100010232032 [0,1,0,0,0,1|1,0,1]=4 2692 B21R3.623 O=C(CSc1c[nH]c2c1cncc2)c3ccncc3 62a_100000027454_100000753697 [0,1,0,0,0,1|1,0,1]=4 2693 B21R3.623 O=C(CSc1c[nH]c2c1nccc2)c3ccncc3 62a_100000027454_100009817151 [0,1,0,0,0,1|1,0,1]=4 2694 B21R3.623 O=C(CSc1coc2c1cccc2)c3ccncc3 62a_100000027454_100009812202 [0,1,0,0,0,1|1,0,1]=4 2695 B21R3.623 O=C(CSc1csc2c1cccc2)c3ccncc3 62a_100000027454_100009813928 [0,1,0,0,0,1|1,0,1]=4 2696 B21R3.623 O=C(CSc1n[nH]c2c1cccc2)c3ccncc3 62a_100000027454_100000050141 [0,1,0,0,0,1|1,0,1]=4 2697 B21R3.623 O=C(NCc1c[nH]c2c1cccc2)c3ccccc3 240690a_100015202335_100000185807 [0,1,0,0,0,1|1,0,1]=4 2698 B21R3.623 O=C(NCc1c[nH]c2c1cccc2)c3ccccc3 527a_100015202335_100000185807 [0,1,0,0,0,1|1,0,1]=4 2699 B21R3.623 OC(COc1csc2c1cccc2)c3ccccc3 34a_100000077758_100000185958 [0,1,0,0,0,1|2,0,0]=4 2700 B21R3.623 OC(COc1csc2c1cccc2)c3ccccc3 7a_100000077758_100000185958 [0,1,0,0,0,1|2,0,0]=4 2701 B21R3.623 OC(CSc1c[nH]c2c1cccn2)c3ccccc3 62a_100000185958_100011934613 [0,1,0,0,0,1|2,0,0]=4 2702 B21R3.623 OC(CSc1c[nH]c2c1ccnc2)c3ccccc3 62a_100000185958_100010232032 [0,1,0,0,0,1|2,0,0]=4 2703 B21R3.623 OC(CSc1c[nH]c2c1cncc2)c3ccccc3 62a_100000185958_100000753697 [0,1,0,0,0,1|2,0,0]=4 2704 B21R3.623 OC(CSc1c[nH]c2c1nccc2)c3ccccc3 62a_100000185958_100009817151 [0,1,0,0,0,1|2,0,0]=4 2705 B21R3.623 OC(CSc1coc2c1cccc2)c3ccccc3 62a_100000185958_100009812202 [0,1,0,0,0,1|2,0,0]=4 2706 B21R3.623 OC(CSc1csc2c1cccc2)c3ccccc3 62a_100000185958_100009813928 [0,1,0,0,0,1|2,0,0]=4 2707 B21R3.623 OC(CSc1n[nH]c2c1cccc2)c3ccccc3 62a_100000185958_100000050141 [0,1,0,0,0,1|2,0,0]=4 2708 B21R3.623 O[C@H](COc1csc2c1cccc2)c3ccccc3 34a_100000077758_100011933945 [0,1,0,0,0,1|2,0,0]=4 2709 B21R3.623 O[C@H](COc1csc2c1cccc2)c3ccccc3 7a_100000077758_100011933945 [0,1,0,0,0,1|2,0,0]=4 2710 B21R3.623 O[C@H](CSc1c[nH]c2c1cccn2)c3ccccc3 62a_100011933945_100011934613 [0,1,0,0,0,1|2,0,0]=4 2711 B21R3.623 O[C@H](CSc1c[nH]c2c1ccnc2)c3ccccc3 62a_100011933945_100010232032 [0,1,0,0,0,1|2,0,0]=4 2712 B21R3.623 O[C@H](CSc1c[nH]c2c1cncc2)c3ccccc3 62a_100011933945_100000753697 [0,1,0,0,0,1|2,0,0]=4 2713 B21R3.623 O[C@H](CSc1c[nH]c2c1nccc2)c3ccccc3 62a_100011933945_100009817151 [0,1,0,0,0,1|2,0,0]=4 2714 B21R3.623 O[C@H](CSc1coc2c1cccc2)c3ccccc3 62a_100011933945_100009812202 [0,1,0,0,0,1|2,0,0]=4 2715 B21R3.623 O[C@H](CSc1csc2c1cccc2)c3ccccc3 62a_100011933945_100009813928 [0,1,0,0,0,1|2,0,0]=4 2716 B21R3.623 O[C@H](CSc1n[nH]c2c1cccc2)c3ccccc3 62a_100011933945_100000050141 [0,1,0,0,0,1|2,0,0]=4 2717 B21R3.872 Brc1ccc(cc1)CCOc2csc3c2cccc3 34a_100000077758_100011740612 [0,1,0,0,0,1|2,0,0]=4 2718 B21R3.872 Brc1ccc(cc1)CCOc2csc3c2cccc3 7a_100000077758_100011740612 [0,1,0,0,0,1|2,0,0]=4 2719 B21R3.872 Brc1ccc(cc1)CCSc2c[nH]c3c2cccn3 62a_100011740612_100011934613 [0,1,0,0,0,1|2,0,0]=4 2720 B21R3.872 Brc1ccc(cc1)CCSc2c[nH]c3c2ccnc3 62a_100011740612_100010232032 [0,1,0,0,0,1|2,0,0]=4 2721 B21R3.872 Brc1ccc(cc1)CCSc2c[nH]c3c2cncc3 62a_100011740612_100000753697 [0,1,0,0,0,1|2,0,0]=4 2722 B21R3.872 Brc1ccc(cc1)CCSc2c[nH]c3c2nccc3 62a_100011740612_100009817151 [0,1,0,0,0,1|2,0,0]=4 2723 B21R3.872 Brc1ccc(cc1)CCSc2coc3c2cccc3 62a_100011740612_100009812202 [0,1,0,0,0,1|2,0,0]=4 2724 B21R3.872 Brc1ccc(cc1)CCSc2n[nH]c3c2cccc3 62a_100011740612_100000050141 [0,1,0,0,0,1|2,0,0]=4 2725 B21R3.872 Brc1ccc(cc1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000186029 [0,1,0,0,0,1|1,0,0]=3 2726 B21R3.872 Brc1ccc(cc1)CNCc2c[nH]c3c2ccnc3 270004a_100000174875_100000087688 [0,1,0,0,0,1|2,0,0]=4 2727 B21R3.872 Brc1ccc(cc1)CNCc2coc3c2cccc3 207a_100000174875_100000688544 [0,1,0,0,0,1|2,0,0]=4 2728 B21R3.872 Brc1ccc(cc1)CNCc2coc3c2cccc3 270004a_100000174875_100000688544 [0,1,0,0,0,1|2,0,0]=4 2729 B21R3.872 Brc1ccc(cc1)CNCc2csc3c2cccc3 207a_100000174875_100000239721 [0,1,0,0,0,1|2,0,0]=4 2730 B21R3.872 Brc1ccc(cc1)CNCc2csc3c2cccc3 207a_100000744611_100000186029 [0,1,0,0,0,1|2,0,0]=4 2731 B21R3.872 Brc1ccc(cc1)CNCc2csc3c2cccc3 2230a_100000174875_200000742921 [0,1,0,0,0,1|2,0,0]=4 2732 B21R3.872 Brc1ccc(cc1)CNCc2csc3c2cccc3 270004a_100000174875_100000239721 [0,1,0,0,0,1|2,0,0]=4 2733 B21R3.872 Brc1ccc(cc1)CNCc2csc3c2cccc3 270004a_100000744611_100000186029 [0,1,0,0,0,1|2,0,0]=4 2734 B21R3.872 Brc1ccc(cc1)CNCc2csc3c2cccc3 34a_100000174875_200000742921 [0,1,0,0,0,1|2,0,0]=4 2735 B21R3.872 Brc1ccc(cc1)CNCc2csc3c2cccc3 34a_100000744611_100000189115 [0,1,0,0,0,1|2,0,0]=4 2736 B21R3.872 Brc1ccc(cc1)CNCc2n[nH]c3c2cccc3 207a_100000174875_100000059708 [0,1,0,0,0,1|2,0,0]=4 2737 B21R3.872 Brc1ccc(cc1)CNCc2n[nH]c3c2cccc3 270004a_100000174875_100000059708 [0,1,0,0,0,1|2,0,0]=4 2738 B21R3.872 Brc1ccc(cc1)COCc2csc3c2cccc3 34a_100000695286_200000742921 [0,1,0,0,0,1|2,0,0]=4 2739 B21R3.872 Brc1ccc(cc1)COCc2csc3c2cccc3 34a_100011219454_100000189115 [0,1,0,0,0,1|2,0,0]=4 2740 B21R3.872 Brc1ccc(cc1)NCCc2c[nH]c3c2cccc3 2230a_100000210018_100011218569 [0,1,0,0,0,1|1,0,0]=3 2741 B21R3.872 Brc1ccc(cc1)NCCc2c[nH]c3c2cccc3 34a_100000210018_100011218569 [0,1,0,0,0,1|1,0,0]=3 2742 B21R3.872 Brc1ccc(cc1)NCCc2c[nH]c3c2cccn3 2230a_100000210018_100009895007 [0,1,0,0,0,1|2,0,0]=4 2743 B21R3.872 Brc1ccc(cc1)OCCc2c[nH]c3c2cccc3 34a_100000185759_100011218569 [0,1,0,0,0,1|1,0,0]=3 2744 B21R3.872 Brc1ccc(cc1)OCCc2c[nH]c3c2cccc3 7a_100000185759_100011218569 [0,1,0,0,0,1|1,0,0]=3 2745 B21R3.872 Brc1ccc(cc1)OCCc2c[nH]c3c2cccn3 7a_100000185759_100009895007 [0,1,0,0,0,1|2,0,0]=4 2746 B21R3.872 Brc1ccc(cc1)SCCc2c[nH]c3c2cccc3 62a_100000752885_100011218569 [0,1,0,0,0,1|1,0,0]=3 2747 B21R3.872 Brc1ccc(cc1)SCCc2c[nH]c3c2cccn3 62a_100000752885_100009895007 [0,1,0,0,0,1|2,0,0]=4 2748 B21R3.872 Brc1ccc(cn1)OCCc2c[nH]c3c2cccc3 34a_100000685995_100011218569 [0,1,0,0,0,1|2,0,0]=4 2749 B21R3.872 Brc1ccc(cn1)OCCc2c[nH]c3c2cccc3 7a_100000685995_100011218569 [0,1,0,0,0,1|2,0,0]=4 2750 B21R3.872 Brc1ccc(cn1)SCCc2c[nH]c3c2cccc3 62a_100009814638_100011218569 [0,1,0,0,0,1|2,0,0]=4 2751 B21R3.872 Brc1ccc(nc1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000754260 [0,1,0,0,0,1|2,0,0]=4 2752 B21R3.872 Brc1ccc(nc1)NCCc2c[nH]c3c2cccc3 27a_100000211132_100000686858 [0,1,0,0,0,1|2,0,0]=4 2753 B21R3.872 Brc1ccc(nc1)SCCc2c[nH]c3c2cccc3 62a_100000686858_100011218569 [0,1,0,0,0,1|2,0,0]=4 2754 B21R3.872 C[n+]1ccc(cc1)COCc2csc3c2cccc3 34a_100009831711_200000742921 [0,1,0,0,0,1|1,0,1]=4 2755 B21R3.872 Cc1ccc(cc1)CCOc2csc3c2cccc3 34a_100000077758_100011713686 [0,1,0,0,0,1|2,0,0]=4 2756 B21R3.872 Cc1ccc(cc1)CCOc2csc3c2cccc3 7a_100000077758_100011713686 [0,1,0,0,0,1|2,0,0]=4 2757 B21R3.872 Cc1ccc(cc1)CCSc2c[nH]c3c2cccn3 62a_100011713686_100011934613 [0,1,0,0,0,1|2,0,0]=4 2758 B21R3.872 Cc1ccc(cc1)CCSc2c[nH]c3c2ccnc3 62a_100011713686_100010232032 [0,1,0,0,0,1|2,0,0]=4 2759 B21R3.872 Cc1ccc(cc1)CCSc2c[nH]c3c2cncc3 62a_100011713686_100000753697 [0,1,0,0,0,1|2,0,0]=4 2760 B21R3.872 Cc1ccc(cc1)CCSc2c[nH]c3c2nccc3 62a_100011713686_100009817151 [0,1,0,0,0,1|2,0,0]=4 2761 B21R3.872 Cc1ccc(cc1)CCSc2coc3c2cccc3 62a_100011713686_100009812202 [0,1,0,0,0,1|2,0,0]=4 2762 B21R3.872 Cc1ccc(cc1)CCSc2csc3c2cccc3 62a_100011713686_100009813928 [0,1,0,0,0,1|2,0,0]=4 2763 B21R3.872 Cc1ccc(cc1)CCSc2n[nH]c3c2cccc3 62a_100011713686_100000050141 [0,1,0,0,0,1|2,0,0]=4 2764 B21R3.872 Cc1ccc(cc1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000211033 [0,1,0,0,0,1|1,0,0]=3 2765 B21R3.872 Cc1ccc(cc1)CNCc2c[nH]c3c2ccnc3 270004a_100000174908_100000087688 [0,1,0,0,0,1|2,0,0]=4 2766 B21R3.872 Cc1ccc(cc1)CNCc2coc3c2cccc3 207a_100000174908_100000688544 [0,1,0,0,0,1|2,0,0]=4 2767 B21R3.872 Cc1ccc(cc1)CNCc2coc3c2cccc3 270004a_100000174908_100000688544 [0,1,0,0,0,1|2,0,0]=4 2768 B21R3.872 Cc1ccc(cc1)CNCc2csc3c2cccc3 207a_100000174908_100000239721 [0,1,0,0,0,1|2,0,0]=4 2769 B21R3.872 Cc1ccc(cc1)CNCc2csc3c2cccc3 207a_100000744611_100000211033 [0,1,0,0,0,1|2,0,0]=4 2770 B21R3.872 Cc1ccc(cc1)CNCc2csc3c2cccc3 2230a_100000174908_200000742921 [0,1,0,0,0,1|2,0,0]=4 2771 B21R3.872 Cc1ccc(cc1)CNCc2csc3c2cccc3 270004a_100000174908_100000239721 [0,1,0,0,0,1|2,0,0]=4 2772 B21R3.872 Cc1ccc(cc1)CNCc2csc3c2cccc3 270004a_100000744611_100000211033 [0,1,0,0,0,1|2,0,0]=4 2773 B21R3.872 Cc1ccc(cc1)CNCc2csc3c2cccc3 34a_100000174908_200000742921 [0,1,0,0,0,1|2,0,0]=4 2774 B21R3.872 Cc1ccc(cc1)CNCc2csc3c2cccc3 34a_100000744611_100000210814 [0,1,0,0,0,1|2,0,0]=4 2775 B21R3.872 Cc1ccc(cc1)CNCc2n[nH]c3c2cccc3 207a_100000174908_100000059708 [0,1,0,0,0,1|2,0,0]=4 2776 B21R3.872 Cc1ccc(cc1)CNCc2n[nH]c3c2cccc3 270004a_100000174908_100000059708 [0,1,0,0,0,1|2,0,0]=4 2777 B21R3.872 Cc1ccc(cc1)COCc2csc3c2cccc3 34a_100011215236_200000742921 [0,1,0,0,0,1|2,0,0]=4 2778 B21R3.872 Cc1ccc(cc1)COCc2csc3c2cccc3 34a_100011219454_100000210814 [0,1,0,0,0,1|2,0,0]=4 2779 B21R3.872 Cc1ccc(cc1)CSCc2csc3c2cccc3 62a_100000210814_200000742921 [0,1,0,0,0,1|2,0,0]=4 2780 B21R3.872 Cc1ccc(cc1)CSCc2csc3c2cccc3 62a_200000742921_100000210814 [0,1,0,0,0,1|2,0,0]=4 2781 B21R3.872 Cc1ccc(cc1)NCCc2c[nH]c3c2cccc3 34a_100000124888_100011218569 [0,1,0,0,0,1|1,0,0]=3 2782 B21R3.872 Cc1ccc(cc1)OCCc2c[nH]c3c2cccc3 34a_100000210336_100011218569 [0,1,0,0,0,1|1,0,0]=3 2783 B21R3.872 Cc1ccc(cc1)OCCc2c[nH]c3c2cccc3 7a_100000210336_100011218569 [0,1,0,0,0,1|1,0,0]=3 2784 B21R3.872 Cc1ccc(cc1)OCCc2c[nH]c3c2cccn3 7a_100000210336_100009895007 [0,1,0,0,0,1|2,0,0]=4 2785 B21R3.872 Cc1ccc(cc1)SCCc2c[nH]c3c2cccc3 62a_100000186775_100011218569 [0,1,0,0,0,1|1,0,0]=3 2786 B21R3.872 Cc1ccc(cc1)SCCc2c[nH]c3c2cccn3 62a_100000186775_100009895007 [0,1,0,0,0,1|2,0,0]=4 2787 B21R3.872 Cc1ccc(cn1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000743784 [0,1,0,0,0,1|2,0,0]=4 2788 B21R3.872 Cc1ccc(cn1)OCCc2c[nH]c3c2cccc3 34a_100000745506_100011218569 [0,1,0,0,0,1|2,0,0]=4 2789 B21R3.872 Cc1ccc(cn1)OCCc2c[nH]c3c2cccc3 7a_100000745506_100011218569 [0,1,0,0,0,1|2,0,0]=4 2790 B21R3.872 Cc1ccc(cn1)SCCc2c[nH]c3c2cccc3 62a_100000751577_100011218569 [0,1,0,0,0,1|2,0,0]=4 2791 B21R3.872 Cc1ccc(nc1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000050478 [0,1,0,0,0,1|2,0,0]=4 2792 B21R3.872 Cc1ccc(nc1)OCCc2c[nH]c3c2cccc3 34a_100000759353_100011218569 [0,1,0,0,0,1|2,0,0]=4 2793 B21R3.872 Cc1ccc(nc1)SCCc2c[nH]c3c2cccc3 62a_100011192072_100011218569 [0,1,0,0,0,1|2,0,0]=4 2794 B21R3.872 Clc1ccc(cc1)CCOc2csc3c2cccc3 34a_100000077758_100011713675 [0,1,0,0,0,1|2,0,0]=4 2795 B21R3.872 Clc1ccc(cc1)CCOc2csc3c2cccc3 7a_100000077758_100011713675 [0,1,0,0,0,1|2,0,0]=4 2796 B21R3.872 Clc1ccc(cc1)CCSc2c[nH]c3c2cccn3 62a_100011713675_100011934613 [0,1,0,0,0,1|2,0,0]=4 2797 B21R3.872 Clc1ccc(cc1)CCSc2c[nH]c3c2ccnc3 62a_100011713675_100010232032 [0,1,0,0,0,1|2,0,0]=4 2798 B21R3.872 Clc1ccc(cc1)CCSc2c[nH]c3c2cncc3 62a_100011713675_100000753697 [0,1,0,0,0,1|2,0,0]=4 2799 B21R3.872 Clc1ccc(cc1)CCSc2c[nH]c3c2nccc3 62a_100011713675_100009817151 [0,1,0,0,0,1|2,0,0]=4 2800 B21R3.872 Clc1ccc(cc1)CCSc2coc3c2cccc3 62a_100011713675_100009812202 [0,1,0,0,0,1|2,0,0]=4 2801 B21R3.872 Clc1ccc(cc1)CCSc2csc3c2cccc3 62a_100011713675_100009813928 [0,1,0,0,0,1|2,0,0]=4 2802 B21R3.872 Clc1ccc(cc1)CCSc2n[nH]c3c2cccc3 62a_100011713675_100000050141 [0,1,0,0,0,1|2,0,0]=4 2803 B21R3.872 Clc1ccc(cc1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000189385 [0,1,0,0,0,1|1,0,0]=3 2804 B21R3.872 Clc1ccc(cc1)CNCc2c[nH]c3c2ccnc3 270004a_100000174871_100000087688 [0,1,0,0,0,1|2,0,0]=4 2805 B21R3.872 Clc1ccc(cc1)CNCc2coc3c2cccc3 207a_100000174871_100000688544 [0,1,0,0,0,1|2,0,0]=4 2806 B21R3.872 Clc1ccc(cc1)CNCc2coc3c2cccc3 270004a_100000174871_100000688544 [0,1,0,0,0,1|2,0,0]=4 2807 B21R3.872 Clc1ccc(cc1)CNCc2csc3c2cccc3 207a_100000174871_100000239721 [0,1,0,0,0,1|2,0,0]=4 2808 B21R3.872 Clc1ccc(cc1)CNCc2csc3c2cccc3 207a_100000744611_100000189385 [0,1,0,0,0,1|2,0,0]=4 2809 B21R3.872 Clc1ccc(cc1)CNCc2csc3c2cccc3 2230a_100000174871_200000742921 [0,1,0,0,0,1|2,0,0]=4 2810 B21R3.872 Clc1ccc(cc1)CNCc2csc3c2cccc3 270004a_100000174871_100000239721 [0,1,0,0,0,1|2,0,0]=4 2811 B21R3.872 Clc1ccc(cc1)CNCc2csc3c2cccc3 270004a_100000744611_100000189385 [0,1,0,0,0,1|2,0,0]=4 2812 B21R3.872 Clc1ccc(cc1)CNCc2csc3c2cccc3 34a_100000174871_200000742921 [0,1,0,0,0,1|2,0,0]=4 2813 B21R3.872 Clc1ccc(cc1)CNCc2csc3c2cccc3 34a_100000744611_100000694040 [0,1,0,0,0,1|2,0,0]=4 2814 B21R3.872 Clc1ccc(cc1)CNCc2n[nH]c3c2cccc3 207a_100000174871_100000059708 [0,1,0,0,0,1|2,0,0]=4 2815 B21R3.872 Clc1ccc(cc1)CNCc2n[nH]c3c2cccc3 270004a_100000174871_100000059708 [0,1,0,0,0,1|2,0,0]=4 2816 B21R3.872 Clc1ccc(cc1)COCc2csc3c2cccc3 34a_100000211118_200000742921 [0,1,0,0,0,1|2,0,0]=4 2817 B21R3.872 Clc1ccc(cc1)COCc2csc3c2cccc3 34a_100011219454_100000694040 [0,1,0,0,0,1|2,0,0]=4 2818 B21R3.872 Clc1ccc(cc1)CSCc2csc3c2cccc3 62a_100000187161_200000742921 [0,1,0,0,0,1|2,0,0]=4 2819 B21R3.872 Clc1ccc(cc1)CSCc2csc3c2cccc3 62a_200000742921_100000187161 [0,1,0,0,0,1|2,0,0]=4 2820 B21R3.872 Clc1ccc(cc1)NCCc2c[nH]c3c2cccc3 2230a_100000210052_100011218569 [0,1,0,0,0,1|1,0,0]=3 2821 B21R3.872 Clc1ccc(cc1)NCCc2c[nH]c3c2cccc3 34a_100000210052_100011218569 [0,1,0,0,0,1|1,0,0]=3 2822 B21R3.872 Clc1ccc(cc1)NCCc2c[nH]c3c2cccn3 2230a_100000210052_100009895007 [0,1,0,0,0,1|2,0,0]=4 2823 B21R3.872 Clc1ccc(cc1)OCCc2c[nH]c3c2cccc3 34a_100000210216_100011218569 [0,1,0,0,0,1|1,0,0]=3 2824 B21R3.872 Clc1ccc(cc1)OCCc2c[nH]c3c2cccc3 7a_100000210216_100011218569 [0,1,0,0,0,1|1,0,0]=3 2825 B21R3.872 Clc1ccc(cc1)OCCc2c[nH]c3c2cccn3 7a_100000210216_100009895007 [0,1,0,0,0,1|2,0,0]=4 2826 B21R3.872 Clc1ccc(cc1)SCCc2c[nH]c3c2cccc3 62a_100000755918_100011218569 [0,1,0,0,0,1|1,0,0]=3 2827 B21R3.872 Clc1ccc(cc1)SCCc2c[nH]c3c2cccn3 62a_100000755918_100009895007 [0,1,0,0,0,1|2,0,0]=4 2828 B21R3.872 Clc1ccc(cn1)OCCc2c[nH]c3c2cccc3 34a_100000744096_100011218569 [0,1,0,0,0,1|2,0,0]=4 2829 B21R3.872 Clc1ccc(cn1)OCCc2c[nH]c3c2cccc3 7a_100000744096_100011218569 [0,1,0,0,0,1|2,0,0]=4 2830 B21R3.872 Clc1ccc(cn1)SCCc2c[nH]c3c2cccc3 62a_100000034144_100011218569 [0,1,0,0,0,1|2,0,0]=4 2831 B21R3.872 Clc1ccc(nc1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100011361569 [0,1,0,0,0,1|2,0,0]=4 2832 B21R3.872 Clc1ccc(nc1)OCCc2c[nH]c3c2cccc3 34a_100011215309_100011218569 [0,1,0,0,0,1|2,0,0]=4 2833 B21R3.872 Clc1ccc(nc1)SCCc2c[nH]c3c2cccc3 62a_100011356976_100011218569 [0,1,0,0,0,1|2,0,0]=4 2834 B21R3.872 Fc1ccc(cc1)CCOc2csc3c2cccc3 34a_100000077758_100011217392 [0,1,0,0,0,1|2,0,0]=4 2835 B21R3.872 Fc1ccc(cc1)CCOc2csc3c2cccc3 7a_100000077758_100011217392 [0,1,0,0,0,1|2,0,0]=4 2836 B21R3.872 Fc1ccc(cc1)CCSc2c[nH]c3c2cccn3 62a_100011217392_100011934613 [0,1,0,0,0,1|2,0,0]=4 2837 B21R3.872 Fc1ccc(cc1)CCSc2c[nH]c3c2ccnc3 62a_100011217392_100010232032 [0,1,0,0,0,1|2,0,0]=4 2838 B21R3.872 Fc1ccc(cc1)CCSc2c[nH]c3c2cncc3 62a_100011217392_100000753697 [0,1,0,0,0,1|2,0,0]=4 2839 B21R3.872 Fc1ccc(cc1)CCSc2c[nH]c3c2nccc3 62a_100011217392_100009817151 [0,1,0,0,0,1|2,0,0]=4 2840 B21R3.872 Fc1ccc(cc1)CCSc2coc3c2cccc3 62a_100011217392_100009812202 [0,1,0,0,0,1|2,0,0]=4 2841 B21R3.872 Fc1ccc(cc1)CCSc2csc3c2cccc3 62a_100011217392_100009813928 [0,1,0,0,0,1|2,0,0]=4 2842 B21R3.872 Fc1ccc(cc1)CCSc2n[nH]c3c2cccc3 62a_100011217392_100000050141 [0,1,0,0,0,1|2,0,0]=4 2843 B21R3.872 Fc1ccc(cc1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000210084 [0,1,0,0,0,1|1,0,0]=3 2844 B21R3.872 Fc1ccc(cc1)CNCc2c[nH]c3c2ccnc3 270004a_100000174882_100000087688 [0,1,0,0,0,1|2,0,0]=4 2845 B21R3.872 Fc1ccc(cc1)CNCc2coc3c2cccc3 207a_100000174882_100000688544 [0,1,0,0,0,1|2,0,0]=4 2846 B21R3.872 Fc1ccc(cc1)CNCc2coc3c2cccc3 270004a_100000174882_100000688544 [0,1,0,0,0,1|2,0,0]=4 2847 B21R3.872 Fc1ccc(cc1)CNCc2csc3c2cccc3 207a_100000174882_100000239721 [0,1,0,0,0,1|2,0,0]=4 2848 B21R3.872 Fc1ccc(cc1)CNCc2csc3c2cccc3 207a_100000744611_100000210084 [0,1,0,0,0,1|2,0,0]=4 2849 B21R3.872 Fc1ccc(cc1)CNCc2csc3c2cccc3 2230a_100000174882_200000742921 [0,1,0,0,0,1|2,0,0]=4 2850 B21R3.872 Fc1ccc(cc1)CNCc2csc3c2cccc3 270004a_100000174882_100000239721 [0,1,0,0,0,1|2,0,0]=4 2851 B21R3.872 Fc1ccc(cc1)CNCc2csc3c2cccc3 270004a_100000744611_100000210084 [0,1,0,0,0,1|2,0,0]=4 2852 B21R3.872 Fc1ccc(cc1)CNCc2csc3c2cccc3 34a_100000174882_200000742921 [0,1,0,0,0,1|2,0,0]=4 2853 B21R3.872 Fc1ccc(cc1)CNCc2csc3c2cccc3 34a_100000744611_100000198546 [0,1,0,0,0,1|2,0,0]=4 2854 B21R3.872 Fc1ccc(cc1)CNCc2n[nH]c3c2cccc3 207a_100000174882_100000059708 [0,1,0,0,0,1|2,0,0]=4 2855 B21R3.872 Fc1ccc(cc1)CNCc2n[nH]c3c2cccc3 270004a_100000174882_100000059708 [0,1,0,0,0,1|2,0,0]=4 2856 B21R3.872 Fc1ccc(cc1)COCc2csc3c2cccc3 34a_100000210977_200000742921 [0,1,0,0,0,1|2,0,0]=4 2857 B21R3.872 Fc1ccc(cc1)COCc2csc3c2cccc3 34a_100011219454_100000198546 [0,1,0,0,0,1|2,0,0]=4 2858 B21R3.872 Fc1ccc(cc1)CSCc2csc3c2cccc3 62a_100000198546_200000742921 [0,1,0,0,0,1|2,0,0]=4 2859 B21R3.872 Fc1ccc(cc1)CSCc2csc3c2cccc3 62a_200000742921_100000187164 [0,1,0,0,0,1|2,0,0]=4 2860 B21R3.872 Fc1ccc(cc1)NCCc2c[nH]c3c2cccc3 34a_100000185862_100011218569 [0,1,0,0,0,1|1,0,0]=3 2861 B21R3.872 Fc1ccc(cc1)OCCc2c[nH]c3c2cccc3 34a_100000210339_100011218569 [0,1,0,0,0,1|1,0,0]=3 2862 B21R3.872 Fc1ccc(cc1)SCCc2c[nH]c3c2cccc3 62a_100000211213_100011218569 [0,1,0,0,0,1|1,0,0]=3 2863 B21R3.872 Fc1ccc(cc1)SCCc2c[nH]c3c2cccn3 62a_100000211213_100009895007 [0,1,0,0,0,1|2,0,0]=4 2864 B21R3.872 Fc1ccc(cn1)OCCc2c[nH]c3c2cccc3 34a_100000688820_100011218569 [0,1,0,0,0,1|2,0,0]=4 2865 B21R3.872 Fc1ccc(cn1)OCCc2c[nH]c3c2cccc3 7a_100000688820_100011218569 [0,1,0,0,0,1|2,0,0]=4 2866 B21R3.872 Fc1ccc(cn1)SCCc2c[nH]c3c2cccc3 62a_100000042367_100011218569 [0,1,0,0,0,1|2,0,0]=4 2867 B21R3.872 Fc1ccc(nc1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100011934744 [0,1,0,0,0,1|2,0,0]=4 2868 B21R3.872 Fc1ccc(nc1)OCCc2c[nH]c3c2cccc3 34a_100000742473_100011218569 [0,1,0,0,0,1|2,0,0]=4 2869 B21R3.872 Fc1ccc(nc1)SCCc2c[nH]c3c2cccc3 62a_100000744514_100011218569 [0,1,0,0,0,1|2,0,0]=4 2870 B21R3.872 Ic1ccc(cc1)CNCc2c[nH]c3c2ccnc3 270004a_100016989417_100000087688 [0,1,0,0,0,1|2,0,0]=4 2871 B21R3.872 Ic1ccc(cc1)CNCc2coc3c2cccc3 207a_100016989417_100000688544 [0,1,0,0,0,1|2,0,0]=4 2872 B21R3.872 Ic1ccc(cc1)CNCc2coc3c2cccc3 270004a_100016989417_100000688544 [0,1,0,0,0,1|2,0,0]=4 2873 B21R3.872 Ic1ccc(cc1)CNCc2csc3c2cccc3 207a_100000744611_100000188517 [0,1,0,0,0,1|2,0,0]=4 2874 B21R3.872 Ic1ccc(cc1)CNCc2csc3c2cccc3 207a_100016989417_100000239721 [0,1,0,0,0,1|2,0,0]=4 2875 B21R3.872 Ic1ccc(cc1)CNCc2csc3c2cccc3 2230a_100016989417_200000742921 [0,1,0,0,0,1|2,0,0]=4 2876 B21R3.872 Ic1ccc(cc1)CNCc2csc3c2cccc3 270004a_100016989417_100000239721 [0,1,0,0,0,1|2,0,0]=4 2877 B21R3.872 Ic1ccc(cc1)CNCc2csc3c2cccc3 34a_100000744611_100000189116 [0,1,0,0,0,1|2,0,0]=4 2878 B21R3.872 Ic1ccc(cc1)CNCc2csc3c2cccc3 34a_100016989417_200000742921 [0,1,0,0,0,1|2,0,0]=4 2879 B21R3.872 Ic1ccc(cc1)CNCc2n[nH]c3c2cccc3 207a_100016989417_100000059708 [0,1,0,0,0,1|2,0,0]=4 2880 B21R3.872 Ic1ccc(cc1)CNCc2n[nH]c3c2cccc3 270004a_100016989417_100000059708 [0,1,0,0,0,1|2,0,0]=4 2881 B21R3.872 Ic1ccc(cc1)COCc2csc3c2cccc3 34a_100000690907_200000742921 [0,1,0,0,0,1|2,0,0]=4 2882 B21R3.872 Ic1ccc(cc1)COCc2csc3c2cccc3 34a_100011219454_100000189116 [0,1,0,0,0,1|2,0,0]=4 2883 B21R3.872 Ic1ccc(cc1)CSCc2csc3c2cccc3 62a_100000189116_200000742921 [0,1,0,0,0,1|2,0,0]=4 2884 B21R3.872 Ic1ccc(cc1)CSCc2csc3c2cccc3 62a_200000742921_100000189116 [0,1,0,0,0,1|2,0,0]=4 2885 B21R3.872 Ic1ccc(cc1)NCCc2c[nH]c3c2cccc3 34a_100000185761_100011218569 [0,1,0,0,0,1|1,0,0]=3 2886 B21R3.872 Ic1ccc(cc1)OCCc2c[nH]c3c2cccc3 34a_100000212066_100011218569 [0,1,0,0,0,1|1,0,0]=3 2887 B21R3.872 Ic1ccc(cc1)OCCc2c[nH]c3c2cccc3 7a_100000212066_100011218569 [0,1,0,0,0,1|1,0,0]=3 2888 B21R3.872 Ic1ccc(cc1)OCCc2c[nH]c3c2cccn3 7a_100000212066_100009895007 [0,1,0,0,0,1|2,0,0]=4 2889 B21R3.872 Ic1ccc(cn1)OCCc2c[nH]c3c2cccc3 34a_100000687607_100011218569 [0,1,0,0,0,1|2,0,0]=4 2890 B21R3.872 Ic1ccc(cn1)OCCc2c[nH]c3c2cccc3 7a_100000687607_100011218569 [0,1,0,0,0,1|2,0,0]=4 2891 B21R3.872 Nc1ccc(cc1)COCc2csc3c2cccc3 34a_100011215238_200000742921 [0,1,0,0,0,1|2,0,0]=4 2892 B21R3.872 Nc1ccc(cc1)OCCc2c[nH]c3c2cccc3 34a_100000185829_100011218569 [0,1,0,0,0,1|1,0,0]=3 2893 B21R3.872 Nc1ccc(cc1)SCCc2c[nH]c3c2cccc3 62a_100000185761_100011218569 [0,1,0,0,0,1|1,0,0]=3 2894 B21R3.872 Nc1ccc(cc1)SCCc2c[nH]c3c2cccn3 62a_100000185761_100009895007 [0,1,0,0,0,1|2,0,0]=4 2895 B21R3.872 Nc1ccc(cn1)OCCc2c[nH]c3c2cccc3 34a_100015188713_100011218569 [0,1,0,0,0,1|2,0,0]=4 2896 B21R3.872 Nc1ccc(cn1)OCCc2c[nH]c3c2cccc3 7a_100015188713_100011218569 [0,1,0,0,0,1|2,0,0]=4 2897 B21R3.872 Nc1ccc(cn1)SCCc2c[nH]c3c2cccc3 62a_100000187370_100011218569 [0,1,0,0,0,1|2,0,0]=4 2898 B21R3.872 Nc1ccc(nc1)OCCc2c[nH]c3c2cccc3 34a_100000729260_100011218569 [0,1,0,0,0,1|2,0,0]=4 2899 B21R3.872 Nc1ccc(nc1)SCCc2c[nH]c3c2cccc3 62a_100000737798_100011218569 [0,1,0,0,0,1|2,0,0]=4 2900 B21R3.872 O=c1ccc(c[nH]1)OCCc2c[nH]c3c2cccc3 34a_100000075641_100011218569 [0,1,0,0,0,1|2,0,0]=4 2901 B21R3.872 O=c1ccc(c[nH]1)SCCc2c[nH]c3c2cccc3 62a_100000212171_100011218569 [0,1,0,0,0,1|2,0,0]=4 2902 B21R3.872 Oc1ccc(cc1)CCOc2csc3c2cccc3 7a_100000077758_100009816426 [0,1,0,0,0,1|2,0,0]=4 2903 B21R3.872 Oc1ccc(cc1)CCSc2c[nH]c3c2cccn3 62a_100009816426_100011934613 [0,1,0,0,0,1|2,0,0]=4 2904 B21R3.872 Oc1ccc(cc1)CCSc2c[nH]c3c2ccnc3 62a_100009816426_100010232032 [0,1,0,0,0,1|2,0,0]=4 2905 B21R3.872 Oc1ccc(cc1)CCSc2c[nH]c3c2cncc3 62a_100009816426_100000753697 [0,1,0,0,0,1|2,0,0]=4 2906 B21R3.872 Oc1ccc(cc1)CCSc2c[nH]c3c2nccc3 62a_100009816426_100009817151 [0,1,0,0,0,1|2,0,0]=4 2907 B21R3.872 Oc1ccc(cc1)CCSc2coc3c2cccc3 62a_100009816426_100009812202 [0,1,0,0,0,1|2,0,0]=4 2908 B21R3.872 Oc1ccc(cc1)CCSc2csc3c2cccc3 62a_100009816426_100009813928 [0,1,0,0,0,1|2,0,0]=4 2909 B21R3.872 Oc1ccc(cc1)CCSc2n[nH]c3c2cccc3 62a_100009816426_100000050141 [0,1,0,0,0,1|2,0,0]=4 2910 B21R3.872 Oc1ccc(cc1)CNCc2csc3c2cccc3 34a_100000185549_200000742921 [0,1,0,0,0,1|2,0,0]=4 2911 B21R3.872 Oc1ccc(cc1)NCCc2c[nH]c3c2cccc3 34a_100000185829_100011218569 [0,1,0,0,0,1|1,0,0]=3 2912 B21R3.872 Oc1ccc(nc1)SCCc2c[nH]c3c2cccc3 62a_100000685995_100011218569 [0,1,0,0,0,1|2,0,0]=4 2913 B21R3.872 [O-][n+]1ccc(cc1)COCc2csc3c2cccc3 34a_100000031831_200000742921 [0,1,0,0,0,1|1,0,1]=4 2914 B21R3.2808 CC(=NNc1ccncc1)c2c[nH]c3c2cccc3 4a_100000698918_100000187069 [0,1,0,0,0,1|1,0,1]=4 2915 B21R3.2808 CC(NCc1ccccc1)c2coc3c2cccc3 269862a_100015324214_100000751042 [0,1,0,0,0,1|2,0,0]=4 2916 B21R3.2808 CC(NCc1ccccc1)c2csc3c2cccc3 269862a_100015324214_100000689785 [0,1,0,0,0,1|2,0,0]=4 2917 B21R3.2808 CC(NCc1ccccc1)c2n[nH]c3c2cccc3 269862a_100015324214_100000087549 [0,1,0,0,0,1|2,0,0]=4 2918 B21R3.2808 CC(NCc1ccncc1)c2coc3c2cccc3 269862a_100000210450_100000751042 [0,1,0,0,0,1|1,0,0]=3 2919 B21R3.2808 CC(NCc1ccncc1)c2csc3c2cccc3 269862a_100000210450_100000689785 [0,1,0,0,0,1|1,0,0]=3 2920 B21R3.2808 CC(NCc1ccncc1)c2n[nH]c3c2cccc3 269862a_100000210450_100000087549 [0,1,0,0,0,1|1,0,0]=3 2921 B21R3.2808 CN(CCc1ccncc1)c2n[nH]c3c2cccn3 27a_100000742850_100009818534 [0,1,0,0,0,1|2,0,0]=4 2922 B21R3.2808 CN(CCc1ccncc1)c2n[nH]c3c2cncc3 27a_100000742850_100009820117 [0,1,0,0,0,1|2,0,0]=4 2923 B21R3.2808 CN(CCc1ccncc1)c2n[nH]c3c2nccc3 27a_100000742850_100009817118 [0,1,0,0,0,1|2,0,0]=4 2924 B21R3.2808 O=C(CCc1ccccc1)C2=CCc3c2cccc3 1458a_100000037392_100000765856 [0,1,0,0,0,1|2,0,0]=4 2925 B21R3.2808 O=C(CCc1ccncc1)C2=CCc3c2cccc3 1458a_100000037392_100000723409 [0,1,0,0,0,1|1,0,0]=3 2926 B21R3.2808 O=C(CCc1ccncc1)C2C=Cc3c2cccc3 1458a_200009832160_100000723409 [0,1,0,0,0,1|1,0,1]=4 2927 B21R3.2808 O=C(COc1ccccc1)c2c[nH]c3c2cccc3 7a_100000210340_100000183220 [0,1,0,0,0,1|1,0,1]=4 2928 B21R3.2808 O=C(CSc1ccccc1)c2c[nH]c3c2cccc3 62a_100000719477_100000183220 [0,1,0,0,0,1|1,0,1]=4 2929 B21R3.2808 O=C(CSc1ccncc1)c2c[nH]c3c2cccc3 62a_100000728582_100000183220 [0,1,0,0,0,1|0,0,1]=3 2930 B21R3.2808 O=C(CSc1ccncc1)c2coc3c2cccc3 62a_100000233777_100000728582 [0,1,0,0,0,1|1,0,1]=4 2931 B21R3.2808 O=C(CSc1ccncc1)c2csc3c2cccc3 62a_100000689783_100000728582 [0,1,0,0,0,1|1,0,1]=4 2932 B21R3.2808 O=C(CSc1ccncn1)c2c[nH]c3c2cccc3 62a_100000703185_100000183220 [0,1,0,0,0,1|1,0,1]=4 2933 B21R3.2808 O=C(CSc1ccnnc1)c2c[nH]c3c2cccc3 62a_100000732662_100000183220 [0,1,0,0,0,1|1,0,1]=4 2934 B21R3.2808 O=C(NCc1ccncc1)C2=CCc3c2cccc3 11a_100000210450_100000037392 [0,1,0,0,0,1|1,0,1]=4 2935 B21R3.2808 O=C(NCc1ccncc1)C2=CCc3c2cccc3 1626a_100000210450_100000037392 [0,1,0,0,0,1|1,0,1]=4 2936 B21R3.2808 O=C(NCc1ccncc1)C2=CCc3c2cccc3 240690a_100000210450_100000037392 [0,1,0,0,0,1|1,0,1]=4 2937 B21R3.8298 Brc1ccccc1CCOc2csc3c2cccc3 34a_100000077758_100012161201 [0,1,0,0,0,1|2,0,0]=4 2938 B21R3.8298 Brc1ccccc1CCOc2csc3c2cccc3 7a_100000077758_100012161201 [0,1,0,0,0,1|2,0,0]=4 2939 B21R3.8298 Brc1ccccc1CCSc2c[nH]c3c2cccn3 62a_100012161201_100011934613 [0,1,0,0,0,1|2,0,0]=4 2940 B21R3.8298 Brc1ccccc1CCSc2c[nH]c3c2ccnc3 62a_100012161201_100010232032 [0,1,0,0,0,1|2,0,0]=4 2941 B21R3.8298 Brc1ccccc1CCSc2c[nH]c3c2cncc3 62a_100012161201_100000753697 [0,1,0,0,0,1|2,0,0]=4 2942 B21R3.8298 Brc1ccccc1CCSc2c[nH]c3c2nccc3 62a_100012161201_100009817151 [0,1,0,0,0,1|2,0,0]=4 2943 B21R3.8298 Brc1ccccc1CCSc2coc3c2cccc3 62a_100012161201_100009812202 [0,1,0,0,0,1|2,0,0]=4 2944 B21R3.8298 Brc1ccccc1CCSc2n[nH]c3c2cccc3 62a_100012161201_100000050141 [0,1,0,0,0,1|2,0,0]=4 2945 B21R3.8298 Brc1ccccc1CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000211189 [0,1,0,0,0,1|1,0,0]=3 2946 B21R3.8298 Brc1ccccc1CNCc2c[nH]c3c2ccnc3 270004a_100000689332_100000087688 [0,1,0,0,0,1|2,0,0]=4 2947 B21R3.8298 Brc1ccccc1CNCc2coc3c2cccc3 207a_100000689332_100000688544 [0,1,0,0,0,1|2,0,0]=4 2948 B21R3.8298 Brc1ccccc1CNCc2coc3c2cccc3 270004a_100000689332_100000688544 [0,1,0,0,0,1|2,0,0]=4 2949 B21R3.8298 Brc1ccccc1CNCc2csc3c2cccc3 207a_100000689332_100000239721 [0,1,0,0,0,1|2,0,0]=4 2950 B21R3.8298 Brc1ccccc1CNCc2csc3c2cccc3 207a_100000744611_100000211189 [0,1,0,0,0,1|2,0,0]=4 2951 B21R3.8298 Brc1ccccc1CNCc2csc3c2cccc3 2230a_100000689332_200000742921 [0,1,0,0,0,1|2,0,0]=4 2952 B21R3.8298 Brc1ccccc1CNCc2csc3c2cccc3 270004a_100000689332_100000239721 [0,1,0,0,0,1|2,0,0]=4 2953 B21R3.8298 Brc1ccccc1CNCc2csc3c2cccc3 270004a_100000744611_100000211189 [0,1,0,0,0,1|2,0,0]=4 2954 B21R3.8298 Brc1ccccc1CNCc2csc3c2cccc3 34a_100000689332_200000742921 [0,1,0,0,0,1|2,0,0]=4 2955 B21R3.8298 Brc1ccccc1CNCc2csc3c2cccc3 34a_100000744611_100000184730 [0,1,0,0,0,1|2,0,0]=4 2956 B21R3.8298 Brc1ccccc1CNCc2n[nH]c3c2cccc3 207a_100000689332_100000059708 [0,1,0,0,0,1|2,0,0]=4 2957 B21R3.8298 Brc1ccccc1CNCc2n[nH]c3c2cccc3 270004a_100000689332_100000059708 [0,1,0,0,0,1|2,0,0]=4 2958 B21R3.8298 Brc1ccccc1COCc2csc3c2cccc3 34a_100000756307_200000742921 [0,1,0,0,0,1|2,0,0]=4 2959 B21R3.8298 Brc1ccccc1COCc2csc3c2cccc3 34a_100011219454_100000184730 [0,1,0,0,0,1|2,0,0]=4 2960 B21R3.8298 Brc1ccccc1NCCc2c[nH]c3c2cccc3 34a_100000210017_100011218569 [0,1,0,0,0,1|1,0,0]=3 2961 B21R3.8298 Brc1ccccc1OCCc2c[nH]c3c2cccc3 34a_100000181306_100011218569 [0,1,0,0,0,1|1,0,0]=3 2962 B21R3.8298 Brc1ccccc1OCCc2c[nH]c3c2cccc3 7a_100000181306_100011218569 [0,1,0,0,0,1|1,0,0]=3 2963 B21R3.8298 Brc1ccccc1OCCc2c[nH]c3c2cccn3 7a_100000181306_100009895007 [0,1,0,0,0,1|2,0,0]=4 2964 B21R3.8298 Brc1ccccc1SCCc2c[nH]c3c2cccc3 62a_100000695589_100011218569 [0,1,0,0,0,1|1,0,0]=3 2965 B21R3.8298 Brc1ccccc1SCCc2c[nH]c3c2cccn3 62a_100000695589_100009895007 [0,1,0,0,0,1|2,0,0]=4 2966 B21R3.8298 Brc1cccnc1CNCc2c[nH]c3c2cccc3 270004a_100015202335_100011934733 [0,1,0,0,0,1|2,0,0]=4 2967 B21R3.8298 Brc1cccnc1NCCc2c[nH]c3c2cccc3 27a_100000211132_100000696092 [0,1,0,0,0,1|2,0,0]=4 2968 B21R3.8298 Brc1cccnc1SCCc2c[nH]c3c2cccc3 62a_100000696092_100011218569 [0,1,0,0,0,1|2,0,0]=4 2969 B21R3.8298 Brc1ccncc1CNCc2c[nH]c3c2cccc3 270004a_100015202335_100009816821 [0,1,0,0,0,1|2,0,0]=4 2970 B21R3.8298 Brc1ccncc1SCCc2c[nH]c3c2cccc3 62a_100010138639_100011218569 [0,1,0,0,0,1|2,0,0]=4 2971 B21R3.8298 Brc1cnccc1CNCc2[nH]nc3c2cccc3 270004a_100011642502_100000755692 [0,1,0,0,0,1|1,0,1]=4 2972 B21R3.8298 Brc1cnccc1CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000755692 [0,1,0,0,0,1|0,0,0]=2 2973 B21R3.8298 Brc1cnccc1CNCc2c[nH]c3c2ccnc3 270004a_100020640021_100000087688 [0,1,0,0,0,1|1,0,0]=3 2974 B21R3.8298 Brc1cnccc1CNCc2cnc3n2cccc3 207a_100020640021_100000052358 [0,1,0,0,0,1|1,0,1]=4 2975 B21R3.8298 Brc1cnccc1CNCc2cnc3n2cccc3 270004a_100015187830_100000755692 [0,1,0,0,0,1|1,0,1]=4 2976 B21R3.8298 Brc1cnccc1CNCc2cnc3n2cccc3 270004a_100020640021_100000052358 [0,1,0,0,0,1|1,0,1]=4 2977 B21R3.8298 Brc1cnccc1CNCc2cnn3c2cccc3 207a_100020640021_100011787723 [0,1,0,0,0,1|1,0,1]=4 2978 B21R3.8298 Brc1cnccc1CNCc2cnn3c2cccc3 270004a_100020640021_100011787723 [0,1,0,0,0,1|1,0,1]=4 2979 B21R3.8298 Brc1cnccc1CNCc2coc3c2cccc3 207a_100020640021_100000688544 [0,1,0,0,0,1|1,0,0]=3 2980 B21R3.8298 Brc1cnccc1CNCc2coc3c2cccc3 270004a_100020640021_100000688544 [0,1,0,0,0,1|1,0,0]=3 2981 B21R3.8298 Brc1cnccc1CNCc2csc3c2cccc3 207a_100020640021_100000239721 [0,1,0,0,0,1|1,0,0]=3 2982 B21R3.8298 Brc1cnccc1CNCc2csc3c2cccc3 270004a_100000744611_100000755692 [0,1,0,0,0,1|1,0,0]=3 2983 B21R3.8298 Brc1cnccc1CNCc2csc3c2cccc3 270004a_100020640021_100000239721 [0,1,0,0,0,1|1,0,0]=3 2984 B21R3.8298 Brc1cnccc1CNCc2n[nH]c3c2cccc3 207a_100020640021_100000059708 [0,1,0,0,0,1|1,0,0]=3 2985 B21R3.8298 Brc1cnccc1CNCc2n[nH]c3c2cccc3 270004a_100020640021_100000059708 [0,1,0,0,0,1|1,0,0]=3 2986 B21R3.8298 Brc1cnccc1NCCc2c[nH]c3c2cccc3 27a_100000211132_100000726257 [0,1,0,0,0,1|0,0,0]=2 2987 B21R3.8298 Brc1cnccc1NCCc2coc3c2cccc3 27a_100011934666_100000726257 [0,1,0,0,0,1|1,0,0]=3 2988 B21R3.8298 Brc1cnccc1NCCn2cnc3c2cccc3 27a_100000746447_100000726257 [0,1,0,0,0,1|1,0,1]=4 2989 B21R3.8298 Brc1cnccc1NN=Cc2c[nH]c3c2cccc3 4a_100013404636_100000182151 [0,1,0,0,0,1|1,0,1]=4 2990 B21R3.8298 Brc1cnccc1OCCc2c[nH]c3c2cccc3 34a_100011996408_100011218569 [0,1,0,0,0,1|0,0,0]=2 2991 B21R3.8298 Brc1cnccc1SCCc2c[nH]c3c2cccc3 62a_100000726257_100011218569 [0,1,0,0,0,1|0,0,0]=2 2992 B21R3.8298 Brc1cnccc1SCCc2c[nH]c3c2cccn3 62a_100000726257_100009895007 [0,1,0,0,0,1|1,0,0]=3 2993 B21R3.8298 Brc1ncccc1OCCc2c[nH]c3c2cccc3 34a_100000744436_100011218569 [0,1,0,0,0,1|2,0,0]=4 2994 B21R3.8298 Brc1ncccc1OCCc2c[nH]c3c2cccc3 7a_100000744436_100011218569 [0,1,0,0,0,1|2,0,0]=4 2995 B21R3.8298 Brc1ncccc1SCCc2c[nH]c3c2cccc3 62a_100010202626_100011218569 [0,1,0,0,0,1|2,0,0]=4 2996 B21R3.8298 Cc1ccccc1CCOc2csc3c2cccc3 34a_100000077758_100011713688 [0,1,0,0,0,1|2,0,0]=4 2997 B21R3.8298 Cc1ccccc1CCOc2csc3c2cccc3 7a_100000077758_100011713688 [0,1,0,0,0,1|2,0,0]=4 2998 B21R3.8298 Cc1ccccc1CCSc2c[nH]c3c2cccn3 62a_100011713688_100011934613 [0,1,0,0,0,1|2,0,0]=4 2999 B21R3.8298 Cc1ccccc1CCSc2c[nH]c3c2ccnc3 62a_100011713688_100010232032 [0,1,0,0,0,1|2,0,0]=4 3000 B21R3.8298 Cc1ccccc1CCSc2c[nH]c3c2cncc3 62a_100011713688_100000753697 [0,1,0,0,0,1|2,0,0]=4 3001 B21R3.8298 Cc1ccccc1CCSc2c[nH]c3c2nccc3 62a_100011713688_100009817151 [0,1,0,0,0,1|2,0,0]=4 3002 B21R3.8298 Cc1ccccc1CCSc2coc3c2cccc3 62a_100011713688_100009812202 [0,1,0,0,0,1|2,0,0]=4 3003 B21R3.8298 Cc1ccccc1CCSc2csc3c2cccc3 62a_100011713688_100009813928 [0,1,0,0,0,1|2,0,0]=4 3004 B21R3.8298 Cc1ccccc1CCSc2n[nH]c3c2cccc3 62a_100011713688_100000050141 [0,1,0,0,0,1|2,0,0]=4 3005 B21R3.8298 Cc1ccccc1CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000211143 [0,1,0,0,0,1|1,0,0]=3 3006 B21R3.8298 Cc1ccccc1CNCc2c[nH]c3c2ccnc3 270004a_100000174972_100000087688 [0,1,0,0,0,1|2,0,0]=4 3007 B21R3.8298 Cc1ccccc1CNCc2coc3c2cccc3 207a_100000174972_100000688544 [0,1,0,0,0,1|2,0,0]=4 3008 B21R3.8298 Cc1ccccc1CNCc2coc3c2cccc3 270004a_100000174972_100000688544 [0,1,0,0,0,1|2,0,0]=4 3009 B21R3.8298 Cc1ccccc1CNCc2csc3c2cccc3 207a_100000174972_100000239721 [0,1,0,0,0,1|2,0,0]=4 3010 B21R3.8298 Cc1ccccc1CNCc2csc3c2cccc3 207a_100000744611_100000211143 [0,1,0,0,0,1|2,0,0]=4 3011 B21R3.8298 Cc1ccccc1CNCc2csc3c2cccc3 270004a_100000174972_100000239721 [0,1,0,0,0,1|2,0,0]=4 3012 B21R3.8298 Cc1ccccc1CNCc2csc3c2cccc3 270004a_100000744611_100000211143 [0,1,0,0,0,1|2,0,0]=4 3013 B21R3.8298 Cc1ccccc1CNCc2csc3c2cccc3 34a_100000174972_200000742921 [0,1,0,0,0,1|2,0,0]=4 3014 B21R3.8298 Cc1ccccc1CNCc2csc3c2cccc3 34a_100000744611_100000211839 [0,1,0,0,0,1|2,0,0]=4 3015 B21R3.8298 Cc1ccccc1CNCc2n[nH]c3c2cccc3 207a_100000174972_100000059708 [0,1,0,0,0,1|2,0,0]=4 3016 B21R3.8298 Cc1ccccc1CNCc2n[nH]c3c2cccc3 270004a_100000174972_100000059708 [0,1,0,0,0,1|2,0,0]=4 3017 B21R3.8298 Cc1ccccc1COCc2csc3c2cccc3 34a_100000698903_200000742921 [0,1,0,0,0,1|2,0,0]=4 3018 B21R3.8298 Cc1ccccc1COCc2csc3c2cccc3 34a_100011219454_100000211839 [0,1,0,0,0,1|2,0,0]=4 3019 B21R3.8298 Cc1ccccc1CSCc2csc3c2cccc3 62a_100000211839_200000742921 [0,1,0,0,0,1|2,0,0]=4 3020 B21R3.8298 Cc1ccccc1CSCc2csc3c2cccc3 62a_200000742921_100000211839 [0,1,0,0,0,1|2,0,0]=4 3021 B21R3.8298 Cc1ccccc1NCCc2c[nH]c3c2cccc3 34a_100015192222_100011218569 [0,1,0,0,0,1|1,0,0]=3 3022 B21R3.8298 Cc1ccccc1OCCc2c[nH]c3c2cccc3 34a_100000210338_100011218569 [0,1,0,0,0,1|1,0,0]=3 3023 B21R3.8298 Cc1ccccc1OCCc2c[nH]c3c2cccc3 7a_100000210338_100011218569 [0,1,0,0,0,1|1,0,0]=3 3024 B21R3.8298 Cc1ccccc1OCCc2c[nH]c3c2cccn3 7a_100000210338_100009895007 [0,1,0,0,0,1|2,0,0]=4 3025 B21R3.8298 Cc1ccccc1SCCc2c[nH]c3c2cccc3 62a_100000210755_100011218569 [0,1,0,0,0,1|1,0,0]=3 3026 B21R3.8298 Cc1ccccc1SCCc2c[nH]c3c2cccn3 62a_100000210755_100009895007 [0,1,0,0,0,1|2,0,0]=4 3027 B21R3.8298 Cc1cccnc1CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000698913 [0,1,0,0,0,1|2,0,0]=4 3028 B21R3.8298 Cc1cccnc1SCCc2c[nH]c3c2cccc3 62a_100000751373_100011218569 [0,1,0,0,0,1|2,0,0]=4 3029 B21R3.8298 Cc1ccncc1CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000685662 [0,1,0,0,0,1|2,0,0]=4 3030 B21R3.8298 Cc1ccncc1OCCc2c[nH]c3c2cccc3 34a_100011997053_100011218569 [0,1,0,0,0,1|2,0,0]=4 3031 B21R3.8298 Cc1ccncc1OCCc2c[nH]c3c2cccc3 7a_100011997053_100011218569 [0,1,0,0,0,1|2,0,0]=4 3032 B21R3.8298 Cc1ccncc1SCCc2c[nH]c3c2cccc3 62a_100000761580_100011218569 [0,1,0,0,0,1|2,0,0]=4 3033 B21R3.8298 Cc1cnccc1CNCc2c[nH]c3c2ccnc3 270004a_100000708811_100000087688 [0,1,0,0,0,1|1,0,0]=3 3034 B21R3.8298 Cc1cnccc1CNCc2cnc3n2cccc3 207a_100000708811_100000052358 [0,1,0,0,0,1|1,0,1]=4 3035 B21R3.8298 Cc1cnccc1CNCc2cnc3n2cccc3 2230a_100015187830_100020672808 [0,1,0,0,0,1|1,0,1]=4 3036 B21R3.8298 Cc1cnccc1CNCc2cnc3n2cccc3 270004a_100000708811_100000052358 [0,1,0,0,0,1|1,0,1]=4 3037 B21R3.8298 Cc1cnccc1CNCc2cnn3c2cccc3 207a_100000708811_100011787723 [0,1,0,0,0,1|1,0,1]=4 3038 B21R3.8298 Cc1cnccc1CNCc2cnn3c2cccc3 270004a_100000708811_100011787723 [0,1,0,0,0,1|1,0,1]=4 3039 B21R3.8298 Cc1cnccc1CNCc2coc3c2cccc3 207a_100000708811_100000688544 [0,1,0,0,0,1|1,0,0]=3 3040 B21R3.8298 Cc1cnccc1CNCc2coc3c2cccc3 270004a_100000708811_100000688544 [0,1,0,0,0,1|1,0,0]=3 3041 B21R3.8298 Cc1cnccc1CNCc2csc3c2cccc3 207a_100000708811_100000239721 [0,1,0,0,0,1|1,0,0]=3 3042 B21R3.8298 Cc1cnccc1CNCc2csc3c2cccc3 270004a_100000708811_100000239721 [0,1,0,0,0,1|1,0,0]=3 3043 B21R3.8298 Cc1cnccc1CNCc2csc3c2cccc3 34a_100000744611_100020672809 [0,1,0,0,0,1|1,0,0]=3 3044 B21R3.8298 Cc1cnccc1CNCc2n[nH]c3c2cccc3 207a_100000708811_100000059708 [0,1,0,0,0,1|1,0,0]=3 3045 B21R3.8298 Cc1cnccc1CNCc2n[nH]c3c2cccc3 270004a_100000708811_100000059708 [0,1,0,0,0,1|1,0,0]=3 3046 B21R3.8298 Cc1cnccc1COCc2csc3c2cccc3 34a_100011219454_100020672809 [0,1,0,0,0,1|1,0,0]=3 3047 B21R3.8298 Cc1cnccc1COCc2csc3c2cccc3 34a_100011997032_200000742921 [0,1,0,0,0,1|1,0,0]=3 3048 B21R3.8298 Cc1cnccc1COCc2noc3c2cccc3 34a_100011997032_100009813815 [0,1,0,0,0,1|2,0,0]=4 3049 B21R3.8298 Cc1cnccc1CSCc2csc3c2cccc3 62a_100020672808_200000742921 [0,1,0,0,0,1|1,0,0]=3 3050 B21R3.8298 Cc1cnccc1CSCc2csc3c2cccc3 62a_200000742921_100020672808 [0,1,0,0,0,1|1,0,0]=3 3051 B21R3.8298 Cc1cnccc1CSCc2noc3c2cccc3 62a_100009813815_100020672808 [0,1,0,0,0,1|2,0,0]=4 3052 B21R3.8298 Cc1cnccc1CSCc2noc3c2cccc3 62a_100020672808_100009813815 [0,1,0,0,0,1|2,0,0]=4 3053 B21R3.8298 Cc1cnccc1NCCc2c[nH]c3c2cccc3 27a_100000211132_100000765111 [0,1,0,0,0,1|0,0,0]=2 3054 B21R3.8298 Cc1cnccc1NCCc2coc3c2cccc3 27a_100011934666_100000765111 [0,1,0,0,0,1|1,0,0]=3 3055 B21R3.8298 Cc1cnccc1NCCn2cnc3c2cccc3 27a_100000746447_100000765111 [0,1,0,0,0,1|1,0,1]=4 3056 B21R3.8298 Cc1cnccc1NN=Cc2c[nH]c3c2cccc3 4a_100011935204_100000182151 [0,1,0,0,0,1|1,0,1]=4 3057 B21R3.8298 Cc1cnccc1OCCc2c[nH]c3c2cccc3 34a_100000694293_100011218569 [0,1,0,0,0,1|0,0,0]=2 3058 B21R3.8298 Cc1cnccc1SCCc2c[nH]c3c2cccc3 62a_100000765111_100011218569 [0,1,0,0,0,1|0,0,0]=2 3059 B21R3.8298 Cc1cnccc1SCCc2c[nH]c3c2cccn3 62a_100000765111_100009895007 [0,1,0,0,0,1|1,0,0]=3 3060 B21R3.8298 Cc1cncnc1NCCc2c[nH]c3c2cccc3 27a_100000211132_100011998708 [0,1,0,0,0,1|1,0,0]=3 3061 B21R3.8298 Cc1cncnc1NCCc2coc3c2cccc3 27a_100011934666_100011998708 [0,1,0,0,0,1|2,0,0]=4 3062 B21R3.8298 Cc1cncnc1SCCc2c[nH]c3c2cccc3 62a_100011998708_100011218569 [0,1,0,0,0,1|1,0,0]=3 3063 B21R3.8298 Cc1cncnc1SCCc2c[nH]c3c2cccn3 62a_100011998708_100009895007 [0,1,0,0,0,1|2,0,0]=4 3064 B21R3.8298 Cc1ncccc1CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000751968 [0,1,0,0,0,1|2,0,0]=4 3065 B21R3.8298 Cc1ncccc1OCCc2c[nH]c3c2cccc3 34a_100000745507_100011218569 [0,1,0,0,0,1|2,0,0]=4 3066 B21R3.8298 Cc1ncccc1OCCc2c[nH]c3c2cccc3 7a_100000745507_100011218569 [0,1,0,0,0,1|2,0,0]=4 3067 B21R3.8298 Cc1ncccc1SCCc2c[nH]c3c2cccc3 62a_100000751574_100011218569 [0,1,0,0,0,1|2,0,0]=4 3068 B21R3.8298 Clc1ccccc1CCOc2csc3c2cccc3 34a_100000077758_100011713703 [0,1,0,0,0,1|2,0,0]=4 3069 B21R3.8298 Clc1ccccc1CCOc2csc3c2cccc3 7a_100000077758_100011713703 [0,1,0,0,0,1|2,0,0]=4 3070 B21R3.8298 Clc1ccccc1CCSc2c[nH]c3c2cccn3 62a_100011713703_100011934613 [0,1,0,0,0,1|2,0,0]=4 3071 B21R3.8298 Clc1ccccc1CCSc2c[nH]c3c2ccnc3 62a_100011713703_100010232032 [0,1,0,0,0,1|2,0,0]=4 3072 B21R3.8298 Clc1ccccc1CCSc2c[nH]c3c2cncc3 62a_100011713703_100000753697 [0,1,0,0,0,1|2,0,0]=4 3073 B21R3.8298 Clc1ccccc1CCSc2c[nH]c3c2nccc3 62a_100011713703_100009817151 [0,1,0,0,0,1|2,0,0]=4 3074 B21R3.8298 Clc1ccccc1CCSc2coc3c2cccc3 62a_100011713703_100009812202 [0,1,0,0,0,1|2,0,0]=4 3075 B21R3.8298 Clc1ccccc1CCSc2csc3c2cccc3 62a_100011713703_100009813928 [0,1,0,0,0,1|2,0,0]=4 3076 B21R3.8298 Clc1ccccc1CCSc2n[nH]c3c2cccc3 62a_100011713703_100000050141 [0,1,0,0,0,1|2,0,0]=4 3077 B21R3.8298 Clc1ccccc1CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000210073 [0,1,0,0,0,1|1,0,0]=3 3078 B21R3.8298 Clc1ccccc1CNCc2c[nH]c3c2ccnc3 270004a_100000174879_100000087688 [0,1,0,0,0,1|2,0,0]=4 3079 B21R3.8298 Clc1ccccc1CNCc2coc3c2cccc3 207a_100000174879_100000688544 [0,1,0,0,0,1|2,0,0]=4 3080 B21R3.8298 Clc1ccccc1CNCc2coc3c2cccc3 270004a_100000174879_100000688544 [0,1,0,0,0,1|2,0,0]=4 3081 B21R3.8298 Clc1ccccc1CNCc2csc3c2cccc3 207a_100000174879_100000239721 [0,1,0,0,0,1|2,0,0]=4 3082 B21R3.8298 Clc1ccccc1CNCc2csc3c2cccc3 207a_100000744611_100000210073 [0,1,0,0,0,1|2,0,0]=4 3083 B21R3.8298 Clc1ccccc1CNCc2csc3c2cccc3 2230a_100000174879_200000742921 [0,1,0,0,0,1|2,0,0]=4 3084 B21R3.8298 Clc1ccccc1CNCc2csc3c2cccc3 270004a_100000174879_100000239721 [0,1,0,0,0,1|2,0,0]=4 3085 B21R3.8298 Clc1ccccc1CNCc2csc3c2cccc3 270004a_100000744611_100000210073 [0,1,0,0,0,1|2,0,0]=4 3086 B21R3.8298 Clc1ccccc1CNCc2csc3c2cccc3 34a_100000174879_200000742921 [0,1,0,0,0,1|2,0,0]=4 3087 B21R3.8298 Clc1ccccc1CNCc2csc3c2cccc3 34a_100000744611_100000187162 [0,1,0,0,0,1|2,0,0]=4 3088 B21R3.8298 Clc1ccccc1CNCc2n[nH]c3c2cccc3 207a_100000174879_100000059708 [0,1,0,0,0,1|2,0,0]=4 3089 B21R3.8298 Clc1ccccc1CNCc2n[nH]c3c2cccc3 270004a_100000174879_100000059708 [0,1,0,0,0,1|2,0,0]=4 3090 B21R3.8298 Clc1ccccc1COCc2csc3c2cccc3 34a_100000210847_200000742921 [0,1,0,0,0,1|2,0,0]=4 3091 B21R3.8298 Clc1ccccc1COCc2csc3c2cccc3 34a_100011219454_100000187162 [0,1,0,0,0,1|2,0,0]=4 3092 B21R3.8298 Clc1ccccc1CSCc2csc3c2cccc3 62a_100000187162_200000742921 [0,1,0,0,0,1|2,0,0]=4 3093 B21R3.8298 Clc1ccccc1CSCc2csc3c2cccc3 62a_200000742921_100000187162 [0,1,0,0,0,1|2,0,0]=4 3094 B21R3.8298 Clc1ccccc1NCCc2c[nH]c3c2cccc3 34a_100000185783_100011218569 [0,1,0,0,0,1|1,0,0]=3 3095 B21R3.8298 Clc1ccccc1OCCc2c[nH]c3c2cccc3 34a_100000210172_100011218569 [0,1,0,0,0,1|1,0,0]=3 3096 B21R3.8298 Clc1ccccc1OCCc2c[nH]c3c2cccc3 7a_100000210172_100011218569 [0,1,0,0,0,1|1,0,0]=3 3097 B21R3.8298 Clc1ccccc1OCCc2c[nH]c3c2cccn3 7a_100000210172_100009895007 [0,1,0,0,0,1|2,0,0]=4 3098 B21R3.8298 Clc1ccccc1SCCc2c[nH]c3c2cccc3 62a_100000764095_100011218569 [0,1,0,0,0,1|1,0,0]=3 3099 B21R3.8298 Clc1ccccc1SCCc2c[nH]c3c2cccn3 62a_100000764095_100009895007 [0,1,0,0,0,1|2,0,0]=4 3100 B21R3.8298 Clc1cccnc1CNCc2c[nH]c3c2cccc3 270004a_100015202335_100012001307 [0,1,0,0,0,1|2,0,0]=4 3101 B21R3.8298 Clc1cccnc1OCCc2c[nH]c3c2cccc3 34a_100011290957_100011218569 [0,1,0,0,0,1|2,0,0]=4 3102 B21R3.8298 Clc1cccnc1SCCc2c[nH]c3c2cccc3 62a_100011356963_100011218569 [0,1,0,0,0,1|2,0,0]=4 3103 B21R3.8298 Clc1ccncc1CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000050567 [0,1,0,0,0,1|2,0,0]=4 3104 B21R3.8298 Clc1ccncc1OCCc2c[nH]c3c2cccc3 34a_100011996695_100011218569 [0,1,0,0,0,1|2,0,0]=4 3105 B21R3.8298 Clc1ccncc1SCCc2c[nH]c3c2cccc3 62a_100009995489_100011218569 [0,1,0,0,0,1|2,0,0]=4 3106 B21R3.8298 Clc1cnccc1CNCc2[nH]nc3c2cccc3 207a_100011642502_100011934409 [0,1,0,0,0,1|1,0,1]=4 3107 B21R3.8298 Clc1cnccc1CNCc2[nH]nc3c2cccc3 270004a_100011642502_100011934409 [0,1,0,0,0,1|1,0,1]=4 3108 B21R3.8298 Clc1cnccc1CNCc2c[nH]c3c2cccc3 270004a_100015202335_100011934409 [0,1,0,0,0,1|0,0,0]=2 3109 B21R3.8298 Clc1cnccc1CNCc2cnc3n2cccc3 207a_100015187830_100011934409 [0,1,0,0,0,1|1,0,1]=4 3110 B21R3.8298 Clc1cnccc1CNCc2cnc3n2cccc3 2230a_100015187830_100000763264 [0,1,0,0,0,1|1,0,1]=4 3111 B21R3.8298 Clc1cnccc1CNCc2cnc3n2cccc3 270004a_100015187830_100011934409 [0,1,0,0,0,1|1,0,1]=4 3112 B21R3.8298 Clc1cnccc1CNCc2csc3c2cccc3 207a_100000744611_100011934409 [0,1,0,0,0,1|1,0,0]=3 3113 B21R3.8298 Clc1cnccc1CNCc2csc3c2cccc3 270004a_100000744611_100011934409 [0,1,0,0,0,1|1,0,0]=3 3114 B21R3.8298 Clc1cnccc1CSCc2csc3c2cccc3 62a_100000763264_200000742921 [0,1,0,0,0,1|1,0,0]=3 3115 B21R3.8298 Clc1cnccc1CSCc2csc3c2cccc3 62a_200000742921_100000763264 [0,1,0,0,0,1|1,0,0]=3 3116 B21R3.8298 Clc1cnccc1CSCc2noc3c2cccc3 62a_100000763264_100009813815 [0,1,0,0,0,1|2,0,0]=4 3117 B21R3.8298 Clc1cnccc1CSCc2noc3c2cccc3 62a_100009813815_100000763264 [0,1,0,0,0,1|2,0,0]=4 3118 B21R3.8298 Clc1cnccc1OCCc2c[nH]c3c2cccc3 34a_100011997054_100011218569 [0,1,0,0,0,1|0,0,0]=2 3119 B21R3.8298 Clc1cnccc1SCCc2c[nH]c3c2cccc3 62a_100000708259_100011218569 [0,1,0,0,0,1|0,0,0]=2 3120 B21R3.8298 Clc1cnccc1SCCc2c[nH]c3c2cccn3 62a_100000708259_100009895007 [0,1,0,0,0,1|1,0,0]=3 3121 B21R3.8298 Clc1ncccc1OCCc2c[nH]c3c2cccc3 34a_100000757616_100011218569 [0,1,0,0,0,1|2,0,0]=4 3122 B21R3.8298 Clc1ncccc1OCCc2c[nH]c3c2cccc3 7a_100000757616_100011218569 [0,1,0,0,0,1|2,0,0]=4 3123 B21R3.8298 Clc1ncccc1SCCc2c[nH]c3c2cccc3 62a_100000036424_100011218569 [0,1,0,0,0,1|2,0,0]=4 3124 B21R3.8298 Fc1ccccc1CCOc2csc3c2cccc3 34a_100000077758_100000720011 [0,1,0,0,0,1|2,0,0]=4 3125 B21R3.8298 Fc1ccccc1CCOc2csc3c2cccc3 7a_100000077758_100000720011 [0,1,0,0,0,1|2,0,0]=4 3126 B21R3.8298 Fc1ccccc1CCSc2c[nH]c3c2cccn3 62a_100011713696_100011934613 [0,1,0,0,0,1|2,0,0]=4 3127 B21R3.8298 Fc1ccccc1CCSc2c[nH]c3c2ccnc3 62a_100011713696_100010232032 [0,1,0,0,0,1|2,0,0]=4 3128 B21R3.8298 Fc1ccccc1CCSc2c[nH]c3c2cncc3 62a_100011713696_100000753697 [0,1,0,0,0,1|2,0,0]=4 3129 B21R3.8298 Fc1ccccc1CCSc2c[nH]c3c2nccc3 62a_100011713696_100009817151 [0,1,0,0,0,1|2,0,0]=4 3130 B21R3.8298 Fc1ccccc1CCSc2coc3c2cccc3 62a_100011713696_100009812202 [0,1,0,0,0,1|2,0,0]=4 3131 B21R3.8298 Fc1ccccc1CCSc2csc3c2cccc3 62a_100011713696_100009813928 [0,1,0,0,0,1|2,0,0]=4 3132 B21R3.8298 Fc1ccccc1CCSc2n[nH]c3c2cccc3 62a_100011713696_100000050141 [0,1,0,0,0,1|2,0,0]=4 3133 B21R3.8298 Fc1ccccc1CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000210811 [0,1,0,0,0,1|1,0,0]=3 3134 B21R3.8298 Fc1ccccc1CNCc2c[nH]c3c2ccnc3 270004a_100000174869_100000087688 [0,1,0,0,0,1|2,0,0]=4 3135 B21R3.8298 Fc1ccccc1CNCc2coc3c2cccc3 207a_100000174869_100000688544 [0,1,0,0,0,1|2,0,0]=4 3136 B21R3.8298 Fc1ccccc1CNCc2coc3c2cccc3 270004a_100000174869_100000688544 [0,1,0,0,0,1|2,0,0]=4 3137 B21R3.8298 Fc1ccccc1CNCc2csc3c2cccc3 207a_100000174869_100000239721 [0,1,0,0,0,1|2,0,0]=4 3138 B21R3.8298 Fc1ccccc1CNCc2csc3c2cccc3 207a_100000744611_100000210811 [0,1,0,0,0,1|2,0,0]=4 3139 B21R3.8298 Fc1ccccc1CNCc2csc3c2cccc3 270004a_100000174869_100000239721 [0,1,0,0,0,1|2,0,0]=4 3140 B21R3.8298 Fc1ccccc1CNCc2csc3c2cccc3 270004a_100000744611_100000210811 [0,1,0,0,0,1|2,0,0]=4 3141 B21R3.8298 Fc1ccccc1CNCc2csc3c2cccc3 34a_100000174869_200000742921 [0,1,0,0,0,1|2,0,0]=4 3142 B21R3.8298 Fc1ccccc1CNCc2csc3c2cccc3 34a_100000744611_100000211605 [0,1,0,0,0,1|2,0,0]=4 3143 B21R3.8298 Fc1ccccc1CNCc2n[nH]c3c2cccc3 207a_100000174869_100000059708 [0,1,0,0,0,1|2,0,0]=4 3144 B21R3.8298 Fc1ccccc1CNCc2n[nH]c3c2cccc3 270004a_100000174869_100000059708 [0,1,0,0,0,1|2,0,0]=4 3145 B21R3.8298 Fc1ccccc1COCc2csc3c2cccc3 34a_100000211962_200000742921 [0,1,0,0,0,1|2,0,0]=4 3146 B21R3.8298 Fc1ccccc1COCc2csc3c2cccc3 34a_100011219454_100000211605 [0,1,0,0,0,1|2,0,0]=4 3147 B21R3.8298 Fc1ccccc1CSCc2csc3c2cccc3 62a_100000211605_200000742921 [0,1,0,0,0,1|2,0,0]=4 3148 B21R3.8298 Fc1ccccc1CSCc2csc3c2cccc3 62a_200000742921_100000211605 [0,1,0,0,0,1|2,0,0]=4 3149 B21R3.8298 Fc1ccccc1NCCc2c[nH]c3c2cccc3 34a_100000210422_100011218569 [0,1,0,0,0,1|1,0,0]=3 3150 B21R3.8298 Fc1ccccc1OCCc2c[nH]c3c2cccc3 34a_100000210171_100011218569 [0,1,0,0,0,1|1,0,0]=3 3151 B21R3.8298 Fc1ccccc1OCCc2c[nH]c3c2cccc3 7a_100000210171_100011218569 [0,1,0,0,0,1|1,0,0]=3 3152 B21R3.8298 Fc1ccccc1OCCc2c[nH]c3c2cccn3 7a_100000210171_100009895007 [0,1,0,0,0,1|2,0,0]=4 3153 B21R3.8298 Fc1ccccc1SCCc2c[nH]c3c2cccc3 62a_100011215700_100011218569 [0,1,0,0,0,1|1,0,0]=3 3154 B21R3.8298 Fc1ccccc1SCCc2c[nH]c3c2cccn3 62a_100011215700_100009895007 [0,1,0,0,0,1|2,0,0]=4 3155 B21R3.8298 Fc1cccnc1CNCc2c[nH]c3c2cccc3 270004a_100015202335_100011934734 [0,1,0,0,0,1|2,0,0]=4 3156 B21R3.8298 Fc1cccnc1OCCc2c[nH]c3c2cccc3 34a_100011219419_100011218569 [0,1,0,0,0,1|2,0,0]=4 3157 B21R3.8298 Fc1cccnc1SCCc2c[nH]c3c2cccc3 62a_100000685392_100011218569 [0,1,0,0,0,1|2,0,0]=4 3158 B21R3.8298 Fc1ccncc1SCCc2c[nH]c3c2cccc3 62a_100009820683_100011218569 [0,1,0,0,0,1|2,0,0]=4 3159 B21R3.8298 Fc1cnccc1CNCc2c[nH]c3c2ccnc3 270004a_100011935246_100000087688 [0,1,0,0,0,1|1,0,0]=3 3160 B21R3.8298 Fc1cnccc1CNCc2cnc3n2cccc3 207a_100011935246_100000052358 [0,1,0,0,0,1|1,0,1]=4 3161 B21R3.8298 Fc1cnccc1CNCc2cnc3n2cccc3 270004a_100011935246_100000052358 [0,1,0,0,0,1|1,0,1]=4 3162 B21R3.8298 Fc1cnccc1CNCc2cnn3c2cccc3 207a_100011935246_100011787723 [0,1,0,0,0,1|1,0,1]=4 3163 B21R3.8298 Fc1cnccc1CNCc2cnn3c2cccc3 270004a_100011935246_100011787723 [0,1,0,0,0,1|1,0,1]=4 3164 B21R3.8298 Fc1cnccc1CNCc2coc3c2cccc3 207a_100011935246_100000688544 [0,1,0,0,0,1|1,0,0]=3 3165 B21R3.8298 Fc1cnccc1CNCc2coc3c2cccc3 270004a_100011935246_100000688544 [0,1,0,0,0,1|1,0,0]=3 3166 B21R3.8298 Fc1cnccc1CNCc2csc3c2cccc3 207a_100011935246_100000239721 [0,1,0,0,0,1|1,0,0]=3 3167 B21R3.8298 Fc1cnccc1CNCc2csc3c2cccc3 270004a_100011935246_100000239721 [0,1,0,0,0,1|1,0,0]=3 3168 B21R3.8298 Fc1cnccc1CNCc2csc3c2cccc3 34a_100011935246_200000742921 [0,1,0,0,0,1|1,0,0]=3 3169 B21R3.8298 Fc1cnccc1CNCc2n[nH]c3c2cccc3 207a_100011935246_100000059708 [0,1,0,0,0,1|1,0,0]=3 3170 B21R3.8298 Fc1cnccc1CNCc2n[nH]c3c2cccc3 270004a_100011935246_100000059708 [0,1,0,0,0,1|1,0,0]=3 3171 B21R3.8298 Fc1cnccc1CNCc2noc3c2cccc3 34a_100011935246_100009813815 [0,1,0,0,0,1|2,0,0]=4 3172 B21R3.8298 Fc1cnccc1COCc2csc3c2cccc3 34a_100012172863_200000742921 [0,1,0,0,0,1|1,0,0]=3 3173 B21R3.8298 Fc1cnccc1COCc2noc3c2cccc3 34a_100012172863_100009813815 [0,1,0,0,0,1|2,0,0]=4 3174 B21R3.8298 Fc1cnccc1NCCc2c[nH]c3c2cccc3 27a_100000211132_100000035921 [0,1,0,0,0,1|0,0,0]=2 3175 B21R3.8298 Fc1cnccc1NCCc2coc3c2cccc3 27a_100011934666_100000035921 [0,1,0,0,0,1|1,0,0]=3 3176 B21R3.8298 Fc1cnccc1NCCn2cnc3c2cccc3 27a_100000746447_100000035921 [0,1,0,0,0,1|1,0,1]=4 3177 B21R3.8298 Fc1cnccc1OCCc2c[nH]c3c2cccc3 34a_200000081243_100011218569 [0,1,0,0,0,1|0,0,0]=2 3178 B21R3.8298 Fc1cnccc1SCCc2c[nH]c3c2cccc3 62a_100000047030_100011218569 [0,1,0,0,0,1|0,0,0]=2 3179 B21R3.8298 Fc1cnccc1SCCc2c[nH]c3c2cccn3 62a_100000047030_100009895007 [0,1,0,0,0,1|1,0,0]=3 3180 B21R3.8298 Fc1cncnc1NCCc2c[nH]c3c2cccc3 27a_100000211132_100000069762 [0,1,0,0,0,1|1,0,0]=3 3181 B21R3.8298 Fc1cncnc1NCCc2coc3c2cccc3 27a_100011934666_100000069762 [0,1,0,0,0,1|2,0,0]=4 3182 B21R3.8298 Fc1cncnc1SCCc2c[nH]c3c2cccc3 62a_100000069762_100011218569 [0,1,0,0,0,1|1,0,0]=3 3183 B21R3.8298 Fc1cncnc1SCCc2c[nH]c3c2cccn3 62a_100000069762_100009895007 [0,1,0,0,0,1|2,0,0]=4 3184 B21R3.8298 Fc1ncccc1OCCc2c[nH]c3c2cccc3 34a_100000061740_100011218569 [0,1,0,0,0,1|2,0,0]=4 3185 B21R3.8298 Fc1ncccc1OCCc2c[nH]c3c2cccc3 7a_100000061740_100011218569 [0,1,0,0,0,1|2,0,0]=4 3186 B21R3.8298 Fc1ncccc1SCCc2c[nH]c3c2cccc3 62a_100009816115_100011218569 [0,1,0,0,0,1|2,0,0]=4 3187 B21R3.8298 Ic1ccccc1CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000010305 [0,1,0,0,0,1|1,0,0]=3 3188 B21R3.8298 Ic1ccccc1CNCc2c[nH]c3c2ccnc3 270004a_100015347259_100000087688 [0,1,0,0,0,1|2,0,0]=4 3189 B21R3.8298 Ic1ccccc1CNCc2coc3c2cccc3 207a_100015347259_100000688544 [0,1,0,0,0,1|2,0,0]=4 3190 B21R3.8298 Ic1ccccc1CNCc2coc3c2cccc3 270004a_100015347259_100000688544 [0,1,0,0,0,1|2,0,0]=4 3191 B21R3.8298 Ic1ccccc1CNCc2csc3c2cccc3 207a_100000744611_100000010305 [0,1,0,0,0,1|2,0,0]=4 3192 B21R3.8298 Ic1ccccc1CNCc2csc3c2cccc3 207a_100015347259_100000239721 [0,1,0,0,0,1|2,0,0]=4 3193 B21R3.8298 Ic1ccccc1CNCc2csc3c2cccc3 270004a_100000744611_100000010305 [0,1,0,0,0,1|2,0,0]=4 3194 B21R3.8298 Ic1ccccc1CNCc2csc3c2cccc3 270004a_100015347259_100000239721 [0,1,0,0,0,1|2,0,0]=4 3195 B21R3.8298 Ic1ccccc1CNCc2csc3c2cccc3 34a_100000744611_100011215278 [0,1,0,0,0,1|2,0,0]=4 3196 B21R3.8298 Ic1ccccc1CNCc2n[nH]c3c2cccc3 207a_100015347259_100000059708 [0,1,0,0,0,1|2,0,0]=4 3197 B21R3.8298 Ic1ccccc1CNCc2n[nH]c3c2cccc3 270004a_100015347259_100000059708 [0,1,0,0,0,1|2,0,0]=4 3198 B21R3.8298 Ic1ccccc1COCc2csc3c2cccc3 34a_100000187465_200000742921 [0,1,0,0,0,1|2,0,0]=4 3199 B21R3.8298 Ic1ccccc1COCc2csc3c2cccc3 34a_100011219454_100011215278 [0,1,0,0,0,1|2,0,0]=4 3200 B21R3.8298 Ic1ccccc1CSCc2csc3c2cccc3 62a_100011216222_200000742921 [0,1,0,0,0,1|2,0,0]=4 3201 B21R3.8298 Ic1ccccc1CSCc2csc3c2cccc3 62a_200000742921_100011216222 [0,1,0,0,0,1|2,0,0]=4 3202 B21R3.8298 Ic1ccccc1NCCc2c[nH]c3c2cccc3 34a_100000210053_100011218569 [0,1,0,0,0,1|1,0,0]=3 3203 B21R3.8298 Ic1ccccc1OCCc2c[nH]c3c2cccc3 34a_100000739446_100011218569 [0,1,0,0,0,1|1,0,0]=3 3204 B21R3.8298 Ic1ccccc1OCCc2c[nH]c3c2cccc3 7a_100000739446_100011218569 [0,1,0,0,0,1|1,0,0]=3 3205 B21R3.8298 Ic1ccccc1OCCc2c[nH]c3c2cccn3 7a_100000739446_100009895007 [0,1,0,0,0,1|2,0,0]=4 3206 B21R3.8298 Ic1ccncc1OCCc2c[nH]c3c2cccc3 34a_100000050107_100011218569 [0,1,0,0,0,1|2,0,0]=4 3207 B21R3.8298 Ic1ncccc1OCCc2c[nH]c3c2cccc3 34a_100000034122_100011218569 [0,1,0,0,0,1|2,0,0]=4 3208 B21R3.8298 Ic1ncccc1OCCc2c[nH]c3c2cccc3 7a_100000034122_100011218569 [0,1,0,0,0,1|2,0,0]=4 3209 B21R3.8298 Nc1ccccc1COCc2csc3c2cccc3 34a_100000212039_200000742921 [0,1,0,0,0,1|2,0,0]=4 3210 B21R3.8298 Nc1ccccc1OCCc2c[nH]c3c2cccc3 34a_100000185747_100011218569 [0,1,0,0,0,1|1,0,0]=3 3211 B21R3.8298 Nc1ccccc1OCCc2c[nH]c3c2cccc3 7a_100000185747_100011218569 [0,1,0,0,0,1|1,0,0]=3 3212 B21R3.8298 Nc1ccccc1OCCc2c[nH]c3c2cccn3 7a_100000185747_100009895007 [0,1,0,0,0,1|2,0,0]=4 3213 B21R3.8298 Nc1ccccc1SCCc2c[nH]c3c2cccc3 62a_100000210017_100011218569 [0,1,0,0,0,1|1,0,0]=3 3214 B21R3.8298 Nc1ccccc1SCCc2c[nH]c3c2cccn3 62a_100000210017_100009895007 [0,1,0,0,0,1|2,0,0]=4 3215 B21R3.8298 Nc1cccnc1OCCc2c[nH]c3c2cccc3 34a_100000746358_100011218569 [0,1,0,0,0,1|2,0,0]=4 3216 B21R3.8298 Nc1cccnc1SCCc2c[nH]c3c2cccc3 62a_100000688686_100011218569 [0,1,0,0,0,1|2,0,0]=4 3217 B21R3.8298 Nc1ccncc1OCCc2c[nH]c3c2cccc3 34a_100000753702_100011218569 [0,1,0,0,0,1|2,0,0]=4 3218 B21R3.8298 Nc1ccncc1SCCc2c[nH]c3c2cccc3 62a_100000047001_100011218569 [0,1,0,0,0,1|2,0,0]=4 3219 B21R3.8298 Nc1cnccc1SCCc2c[nH]c3c2cccc3 62a_100000756074_100011218569 [0,1,0,0,0,1|0,0,0]=2 3220 B21R3.8298 Nc1cnccc1SCCc2c[nH]c3c2cccn3 62a_100000756074_100009895007 [0,1,0,0,0,1|1,0,0]=3 3221 B21R3.8298 Nc1cncnc1NCCc2c[nH]c3c2cccc3 27a_100000211132_100000709731 [0,1,0,0,0,1|1,0,0]=3 3222 B21R3.8298 Nc1cncnc1NCCc2coc3c2cccc3 27a_100011934666_100000709731 [0,1,0,0,0,1|2,0,0]=4 3223 B21R3.8298 Nc1cncnc1SCCc2c[nH]c3c2cccc3 62a_100000709731_100011218569 [0,1,0,0,0,1|1,0,0]=3 3224 B21R3.8298 Nc1cncnc1SCCc2c[nH]c3c2cccn3 62a_100000709731_100009895007 [0,1,0,0,0,1|2,0,0]=4 3225 B21R3.8298 Nc1cnncc1SCCc2c[nH]c3c2cccc3 62a_100009829405_100011218569 [0,1,0,0,0,1|1,0,0]=3 3226 B21R3.8298 Nc1cnncc1SCCc2c[nH]c3c2cccn3 62a_100009829405_100009895007 [0,1,0,0,0,1|2,0,0]=4 3227 B21R3.8298 Nc1ncccc1OCCc2c[nH]c3c2cccc3 34a_100000211975_100011218569 [0,1,0,0,0,1|2,0,0]=4 3228 B21R3.8298 Nc1ncccc1OCCc2c[nH]c3c2cccc3 7a_100000211975_100011218569 [0,1,0,0,0,1|2,0,0]=4 3229 B21R3.8298 Nc1ncccc1SCCc2c[nH]c3c2cccc3 62a_100000045569_100011218569 [0,1,0,0,0,1|2,0,0]=4 3230 B21R3.8298 O=c1[nH]nccc1NCCc2c[nH]c3c2cccc3 27a_100000211132_100000087129 [0,1,0,0,0,1|1,0,0]=3 3231 B21R3.8298 O=c1[nH]nccc1NCCc2coc3c2cccc3 27a_100011934666_100000087129 [0,1,0,0,0,1|2,0,0]=4 3232 B21R3.8298 O=c1cc[nH]cc1SCCc2c[nH]c3c2cccc3 62a_100009998708_100011218569 [0,1,0,0,0,1|2,0,0]=4 3233 B21R3.8298 O=c1ccocc1OCCc2c[nH]c3c2cccc3 34a_100000060831_100011218569 [0,1,0,0,0,1|2,0,0]=4 3234 B21R3.8298 O=c1occcc1OCCc2c[nH]c3c2cccc3 34a_100000077404_100011218569 [0,1,0,0,0,1|2,0,0]=4 3235 B21R3.8298 O=c1occcc1OCCc2c[nH]c3c2cccc3 7a_100000077404_100011218569 [0,1,0,0,0,1|2,0,0]=4 3236 B21R3.8298 Oc1ccccc1CCOc2csc3c2cccc3 34a_100000077758_100000722297 [0,1,0,0,0,1|2,0,0]=4 3237 B21R3.8298 Oc1ccccc1CCOc2csc3c2cccc3 7a_100000077758_100000722297 [0,1,0,0,0,1|2,0,0]=4 3238 B21R3.8298 Oc1ccccc1CCSc2c[nH]c3c2cccn3 62a_100000722297_100011934613 [0,1,0,0,0,1|2,0,0]=4 3239 B21R3.8298 Oc1ccccc1CCSc2c[nH]c3c2ccnc3 62a_100000722297_100010232032 [0,1,0,0,0,1|2,0,0]=4 3240 B21R3.8298 Oc1ccccc1CCSc2c[nH]c3c2cncc3 62a_100000722297_100000753697 [0,1,0,0,0,1|2,0,0]=4 3241 B21R3.8298 Oc1ccccc1CCSc2c[nH]c3c2nccc3 62a_100000722297_100009817151 [0,1,0,0,0,1|2,0,0]=4 3242 B21R3.8298 Oc1ccccc1CCSc2coc3c2cccc3 62a_100000722297_100009812202 [0,1,0,0,0,1|2,0,0]=4 3243 B21R3.8298 Oc1ccccc1CCSc2csc3c2cccc3 62a_100000722297_100009813928 [0,1,0,0,0,1|2,0,0]=4 3244 B21R3.8298 Oc1ccccc1CCSc2n[nH]c3c2cccc3 62a_100000722297_100000050141 [0,1,0,0,0,1|2,0,0]=4 3245 B21R3.8298 Oc1ccccc1CNCc2c[nH]c3c2ccnc3 270004a_100000185550_100000087688 [0,1,0,0,0,1|2,0,0]=4 3246 B21R3.8298 Oc1ccccc1CNCc2coc3c2cccc3 207a_100000185550_100000688544 [0,1,0,0,0,1|2,0,0]=4 3247 B21R3.8298 Oc1ccccc1CNCc2coc3c2cccc3 270004a_100000185550_100000688544 [0,1,0,0,0,1|2,0,0]=4 3248 B21R3.8298 Oc1ccccc1CNCc2csc3c2cccc3 207a_100000185550_100000239721 [0,1,0,0,0,1|2,0,0]=4 3249 B21R3.8298 Oc1ccccc1CNCc2csc3c2cccc3 270004a_100000185550_100000239721 [0,1,0,0,0,1|2,0,0]=4 3250 B21R3.8298 Oc1ccccc1CNCc2csc3c2cccc3 34a_100000185550_200000742921 [0,1,0,0,0,1|2,0,0]=4 3251 B21R3.8298 Oc1ccccc1CNCc2n[nH]c3c2cccc3 207a_100000185550_100000059708 [0,1,0,0,0,1|2,0,0]=4 3252 B21R3.8298 Oc1ccccc1CNCc2n[nH]c3c2cccc3 270004a_100000185550_100000059708 [0,1,0,0,0,1|2,0,0]=4 3253 B21R3.8298 Oc1ccccc1NCCc2c[nH]c3c2cccc3 34a_100000185747_100011218569 [0,1,0,0,0,1|1,0,0]=3 3254 B21R3.8298 Oc1ccccc1SCCc2c[nH]c3c2cccc3 62a_100000739446_100011218569 [0,1,0,0,0,1|1,0,0]=3 3255 B21R3.8298 Oc1ccccc1SCCc2c[nH]c3c2cccn3 62a_100000739446_100009895007 [0,1,0,0,0,1|2,0,0]=4 3256 B21R3.8298 Oc1cccnc1SCCc2c[nH]c3c2cccc3 62a_100000034122_100011218569 [0,1,0,0,0,1|2,0,0]=4 3257 B21R3.8298 Oc1cnccc1SCCc2c[nH]c3c2cccc3 62a_100009817591_100011218569 [0,1,0,0,0,1|0,0,0]=2 3258 B21R3.8298 Oc1cnccc1SCCc2c[nH]c3c2cccn3 62a_100009817591_100009895007 [0,1,0,0,0,1|1,0,0]=3 3259 B21R3.8298 Oc1ncccc1CNCc2c[nH]c3c2cccc3 270004a_100015202335_100011998315 [0,1,0,0,0,1|2,0,0]=4 3260 B21R3.8298 Oc1ncccc1SCCc2c[nH]c3c2cccc3 62a_100000760158_100011218569 [0,1,0,0,0,1|2,0,0]=4 3261 B21R3.8298 S=c1cc[nH]cc1SCCc2c[nH]c3c2cccc3 62a_200012280681_100011218569 [0,1,0,0,0,1|2,0,0]=4 3262 B21R3.8298 [O-][n+]1ccccc1OCCc2c[nH]c3c2cccc3 7a_100000211761_100011218569 [0,1,0,0,0,1|2,0,0]=4 3263 B21R3.8418 Brc1cc2[nH]cc(c2cn1)SCCc3ccccc3 62a_100000765856_100010206817 [0,1,0,0,0,1|2,0,0]=4 3264 B21R3.8418 Brc1cc2[nH]cc(c2cn1)SCCc3ccccc3 62a_100010206817_100011218657 [0,1,0,0,0,1|2,0,0]=4 3265 B21R3.8418 Brc1cc2[nH]cc(c2cn1)SCCc3ccncc3 62a_100000723409_100010206817 [0,1,0,0,0,1|1,0,0]=3 3266 B21R3.8418 Brc1cc2[nH]cc(c2cn1)SCCc3ccncc3 62a_100010206817_100000723409 [0,1,0,0,0,1|1,0,0]=3 3267 B21R3.8418 Brc1ccc2c(c1)C=CC2=NNCc3ccncc3 4a_100000736929_100010210589 [0,1,0,0,0,1|2,0,0]=4 3268 B21R3.8418 Brc1ccc2c(c[nH]c2c1)C=NNc3ccncc3 4a_100000698918_100011361519 [0,1,0,0,0,1|1,0,1]=4 3269 B21R3.8418 Brc1ccc2c(n[nH]c2c1)CNCc3ccccc3 207a_100015324214_100009817233 [0,1,0,0,0,1|2,0,0]=4 3270 B21R3.8418 Brc1ccc2c(n[nH]c2c1)CNCc3ccccc3 270004a_100015324214_100009817233 [0,1,0,0,0,1|2,0,0]=4 3271 B21R3.8418 Brc1ccc2c(n[nH]c2c1)SCCc3ccccc3 62a_100000765856_100010186045 [0,1,0,0,0,1|2,0,0]=4 3272 B21R3.8418 Brc1ccc2c(n[nH]c2c1)SCCc3ccccc3 62a_100010186045_100011218657 [0,1,0,0,0,1|2,0,0]=4 3273 B21R3.8418 Brc1ccc2c(n[nH]c2c1)SCCc3ccncc3 62a_100000723409_100010186045 [0,1,0,0,0,1|1,0,0]=3 3274 B21R3.8418 Brc1ccc2c(n[nH]c2c1)SCCc3ccncc3 62a_100010186045_100000723409 [0,1,0,0,0,1|1,0,0]=3 3275 B21R3.8418 Brc1ccn2c(cnc2c1)SCCc3ccncc3 62a_100000723409_100010730183 [0,1,0,0,0,1|1,0,1]=4 3276 B21R3.8418 Brc1ccn2c(cnc2c1)SCCc3ccncc3 62a_100010730183_100000723409 [0,1,0,0,0,1|1,0,1]=4 3277 B21R3.8418 Brc1cnc2c(c[nH]c2c1)CNCc3ccccc3 270004a_100015324214_100010168556 [0,1,0,0,0,1|2,0,0]=4 3278 B21R3.8418 Brc1cnc2c(c[nH]c2c1)SCCc3ccccc3 62a_100000765856_100010208019 [0,1,0,0,0,1|2,0,0]=4 3279 B21R3.8418 Brc1cnc2c(c[nH]c2c1)SCCc3ccccc3 62a_100010208019_100011218657 [0,1,0,0,0,1|2,0,0]=4 3280 B21R3.8418 Brc1cnc2c(c[nH]c2c1)SCCc3ccncc3 62a_100000723409_100010208019 [0,1,0,0,0,1|1,0,0]=3 3281 B21R3.8418 Brc1cnc2c(c[nH]c2c1)SCCc3ccncc3 62a_100010208019_100000723409 [0,1,0,0,0,1|1,0,0]=3 3282 B21R3.8418 Brc1cnc2c(n[nH]c2c1)NCCc3ccncc3 27a_100000742849_100010289622 [0,1,0,0,0,1|2,0,0]=4 3283 B21R3.8418 Brc1cnc2c(n[nH]c2c1)SCCc3ccncc3 62a_100000723409_100010289622 [0,1,0,0,0,1|2,0,0]=4 3284 B21R3.8418 Cc1ccc2c(c[nH]c2c1)C=NNc3ccncc3 4a_100000698918_100000743239 [0,1,0,0,0,1|1,0,1]=4 3285 B21R3.8418 Cc1ccc2c(c[nH]c2c1)CCNc3ccncn3 27a_100000709966_100000703185 [0,1,0,0,0,1|1,0,0]=3 3286 B21R3.8418 Cc1ccc2c(n[nH]c2c1)SCCc3ccccc3 62a_100000765856_100000049534 [0,1,0,0,0,1|2,0,0]=4 3287 B21R3.8418 Cc1ccc2c(n[nH]c2c1)SCCc3ccncc3 62a_100000723409_100000049534 [0,1,0,0,0,1|1,0,0]=3 3288 B21R3.8418 Cc1ccn2c(cnc2c1)SCCc3ccncc3 62a_100000723409_100011934683 [0,1,0,0,0,1|1,0,1]=4 3289 B21R3.8418 Clc1cc2[nH]cc(c2cn1)SCCc3ccccc3 62a_100000765856_100010206812 [0,1,0,0,0,1|2,0,0]=4 3290 B21R3.8418 Clc1cc2[nH]cc(c2cn1)SCCc3ccncc3 62a_100000723409_100010206812 [0,1,0,0,0,1|1,0,0]=3 3291 B21R3.8418 Clc1cc2[nH]nc(c2cn1)SCCc3ccncc3 62a_100000723409_100010134411 [0,1,0,0,0,1|2,0,0]=4 3292 B21R3.8418 Clc1ccc2c(c[nH]c2c1)C=NNc3ccncc3 4a_100000698918_100000743236 [0,1,0,0,0,1|1,0,1]=4 3293 B21R3.8418 Clc1ccc2c(c[nH]c2n1)SCCc3ccccc3 62a_100000765856_100010168512 [0,1,0,0,0,1|2,0,0]=4 3294 B21R3.8418 Clc1ccc2c(c[nH]c2n1)SCCc3ccncc3 62a_100000723409_100010168512 [0,1,0,0,0,1|1,0,0]=3 3295 B21R3.8418 Clc1ccc2c(n[nH]c2c1)CNCc3ccccc3 207a_100015324214_100000086628 [0,1,0,0,0,1|2,0,0]=4 3296 B21R3.8418 Clc1ccc2c(n[nH]c2c1)CNCc3ccccc3 270004a_100015324214_100000086628 [0,1,0,0,0,1|2,0,0]=4 3297 B21R3.8418 Clc1ccc2c(n[nH]c2c1)SCCc3ccccc3 62a_100000765856_100000049627 [0,1,0,0,0,1|2,0,0]=4 3298 B21R3.8418 Clc1ccc2c(n[nH]c2c1)SCCc3ccncc3 62a_100000723409_100000049627 [0,1,0,0,0,1|1,0,0]=3 3299 B21R3.8418 Clc1ccc2c(n[nH]c2n1)SCCc3ccncc3 62a_100000723409_100010117091 [0,1,0,0,0,1|2,0,0]=4 3300 B21R3.8418 Clc1ncc2c(c[nH]c2n1)SCCc3ccncc3 62a_100000723409_100010173707 [0,1,0,0,0,1|2,0,0]=4 3301 B21R3.8418 Fc1ccc2c(c[nH]c2c1)C=NNc3ccncc3 4a_100000698918_100000743237 [0,1,0,0,0,1|1,0,1]=4 3302 B21R3.8418 Fc1ccc2c(c[nH]c2c1)CCNc3ccncn3 27a_100000709932_100000703185 [0,1,0,0,0,1|1,0,0]=3 3303 B21R3.8418 Fc1ccc2c(c[nH]c2n1)SCCc3ccccc3 62a_100000765856_100010168364 [0,1,0,0,0,1|2,0,0]=4 3304 B21R3.8418 Fc1ccc2c(c[nH]c2n1)SCCc3ccncc3 62a_100000723409_100010168364 [0,1,0,0,0,1|1,0,0]=3 3305 B21R3.8418 Fc1ccc2c(n[nH]c2c1)CNCc3ccccc3 207a_100015324214_100000086633 [0,1,0,0,0,1|2,0,0]=4 3306 B21R3.8418 Fc1ccc2c(n[nH]c2c1)CNCc3ccccc3 270004a_100015324214_100000086633 [0,1,0,0,0,1|2,0,0]=4 3307 B21R3.8418 Fc1ccc2c(n[nH]c2c1)SCCc3ccccc3 62a_100000765856_100000049990 [0,1,0,0,0,1|2,0,0]=4 3308 B21R3.8418 Fc1ccc2c(n[nH]c2c1)SCCc3ccncc3 62a_100000723409_100000049990 [0,1,0,0,0,1|1,0,0]=3 3309 B21R3.8418 Fc1ccn2c(cnc2c1)SCCc3ccncc3 62a_100000723409_100020640160 [0,1,0,0,0,1|1,0,1]=4 3310 B21R3.8418 Fc1ccn2c(cnc2c1)SCCc3ccncc3 62a_100020640160_100000723409 [0,1,0,0,0,1|1,0,1]=4 3311 B21R3.8418 Nc1ccc2c(n[nH]c2c1)SCCc3ccccc3 62a_100000765856_100009816878 [0,1,0,0,0,1|2,0,0]=4 3312 B21R3.8418 Nc1ccc2c(n[nH]c2c1)SCCc3ccncc3 62a_100000723409_100009816878 [0,1,0,0,0,1|1,0,0]=3 3313 B21R3.19837 Brc1[nH]c2ccccc2c1C=NNc3ccncc3 4a_100000698918_100010159312 [0,1,0,0,0,1|1,0,1]=4 3314 B21R3.19837 Cc1[nH]c2ccccc2c1C=NNc3ccncc3 4a_100000698918_100000186307 [0,1,0,0,0,1|1,0,1]=4 3315 B21R3.19837 Cc1[nH]c2ccccc2c1CCNc3ccncn3 27a_100000750322_100000703185 [0,1,0,0,0,1|1,0,0]=3 3316 B21R3.19837 Cc1[nH]c2ncccc2c1SCCc3ccccc3 62a_100000765856_100010174266 [0,1,0,0,0,1|2,0,0]=4 3317 B21R3.19837 Cc1[nH]c2ncccc2c1SCCc3ccncc3 62a_100000723409_100010174266 [0,1,0,0,0,1|1,0,0]=3 3318 B21R3.19837 Cc1nc2ccccn2c1SCCc3ccncc3 62a_100000723409_100000762796 [0,1,0,0,0,1|1,0,1]=4 3319 B21R3.19837 Cc1nc2ccccn2c1SCCc3ccncc3 62a_100000762796_100000723409 [0,1,0,0,0,1|1,0,1]=4 3320 B21R3.19837 Cc1oc2ccccc2c1SCCc3ccccc3 62a_100000765856_200010236113 [0,1,0,0,0,1|2,0,0]=4 3321 B21R3.19837 Cc1oc2ccccc2c1SCCc3ccncc3 62a_100000723409_200010236113 [0,1,0,0,0,1|1,0,0]=3 3322 B21R3.19837 Cc1sc2ccccc2c1CNCc3ccccc3 207a_100015324214_100000066825 [0,1,0,0,0,1|2,0,0]=4 3323 B21R3.19837 Cc1sc2ccccc2c1CNCc3ccccc3 270004a_100015324214_100000066825 [0,1,0,0,0,1|2,0,0]=4 3324 B21R3.19837 Cc1sc2ccccc2c1SCCc3ccccc3 62a_100000765856_100010002616 [0,1,0,0,0,1|2,0,0]=4 3325 B21R3.19837 Cc1sc2ccccc2c1SCCc3ccccc3 62a_100010002616_100011218657 [0,1,0,0,0,1|2,0,0]=4 3326 B21R3.19837 Cc1sc2ccccc2c1SCCc3ccncc3 62a_100000723409_100010002616 [0,1,0,0,0,1|1,0,0]=3 3327 B21R3.19837 Cc1sc2ccccc2c1SCCc3ccncc3 62a_100010002616_100000723409 [0,1,0,0,0,1|1,0,0]=3 3328 B21R3.19837 Clc1[nH]c2ccccc2c1C=NNc3ccncc3 4a_100000698918_100000017700 [0,1,0,0,0,1|1,0,1]=4 3329 B21R3.19837 Cn1nc2ccccc2c1SCCc3ccncc3 62a_100000723409_100010163699 [0,1,0,0,0,1|1,0,1]=4 3330 B21R3.19837 Cn1nc2ccccc2c1SCCc3ccncc3 62a_100010163699_100000723409 [0,1,0,0,0,1|1,0,1]=4 3331 B21R3.19837 O=C1Nc2ccccc2C1=NNCc3ccccc3 4a_100000007032_100000185742 [0,1,0,0,0,1|2,0,0]=4 3332 B21R3.19837 O=C1Nc2ccccc2C1=NNCc3ccncc3 4a_100000736929_100000185742 [0,1,0,0,0,1|1,0,0]=3 3333 B21R3.19837 O=C1Nc2ccccc2C1SCCc3ccccc3 62a_100000765856_200009996675 [0,1,0,0,0,1|1,0,1]=4 3334 B21R3.19837 O=C1Nc2ccccc2C1SCCc3ccncc3 62a_100000723409_200009996675 [0,1,0,0,0,1|0,0,1]=3 3335 B21R3.19837 O=C1Nc2ncccc2C1=NNCc3ccncc3 4a_100000736929_100000098433 [0,1,0,0,0,1|2,0,0]=4 3336 B21R3.19837 O=C1Sc2ccccc2C1=NNCc3ccncc3 4a_100000736929_100011996146 [0,1,0,0,0,1|2,0,0]=4 3337 B21R3.19837 O=c1[nH]c2ccccc2n1CCNc3ccncn3 27a_203549771432_100000703185 [0,1,0,0,0,1|2,0,0]=4 3338 B21R3.19837 O=c1[nH]c2ccccc2n1CCOc3ccccc3 7a_100000210340_203549783246 [0,1,0,0,0,1|2,0,0]=4 3339 B21R3.21587 Brc1cc(ccn1)CNCc2[nH]nc3c2cccc3 270004a_100011642502_100009814634 [0,1,0,0,0,1|1,0,1]=4 3340 B21R3.21587 Brc1cc(ccn1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100009814634 [0,1,0,0,0,1|0,0,0]=2 3341 B21R3.21587 Brc1cc(ccn1)CNCc2c[nH]c3c2ccnc3 270004a_100025757509_100000087688 [0,1,0,0,0,1|1,0,0]=3 3342 B21R3.21587 Brc1cc(ccn1)CNCc2cnc3n2cccc3 2230a_100015187830_100010243470 [0,1,0,0,0,1|1,0,1]=4 3343 B21R3.21587 Brc1cc(ccn1)CNCc2cnc3n2cccc3 270004a_100015187830_100009814634 [0,1,0,0,0,1|1,0,1]=4 3344 B21R3.21587 Brc1cc(ccn1)CNCc2cnc3n2cccc3 270004a_100025757509_100000052358 [0,1,0,0,0,1|1,0,1]=4 3345 B21R3.21587 Brc1cc(ccn1)CNCc2cnn3c2cccc3 270004a_100025757509_100011787723 [0,1,0,0,0,1|1,0,1]=4 3346 B21R3.21587 Brc1cc(ccn1)CNCc2coc3c2cccc3 270004a_100025757509_100000688544 [0,1,0,0,0,1|1,0,0]=3 3347 B21R3.21587 Brc1cc(ccn1)CNCc2csc3c2cccc3 2230a_100025757509_200000742921 [0,1,0,0,0,1|1,0,0]=3 3348 B21R3.21587 Brc1cc(ccn1)CNCc2csc3c2cccc3 270004a_100000744611_100009814634 [0,1,0,0,0,1|1,0,0]=3 3349 B21R3.21587 Brc1cc(ccn1)CNCc2csc3c2cccc3 270004a_100025757509_100000239721 [0,1,0,0,0,1|1,0,0]=3 3350 B21R3.21587 Brc1cc(ccn1)CNCc2csc3c2cccc3 34a_100000744611_100010243470 [0,1,0,0,0,1|1,0,0]=3 3351 B21R3.21587 Brc1cc(ccn1)CNCc2csc3c2cccc3 34a_100025757509_200000742921 [0,1,0,0,0,1|1,0,0]=3 3352 B21R3.21587 Brc1cc(ccn1)CNCc2n[nH]c3c2cccc3 270004a_100025757509_100000059708 [0,1,0,0,0,1|1,0,0]=3 3353 B21R3.21587 Brc1cc(ccn1)CNCc2noc3c2cccc3 34a_100025757509_100009813815 [0,1,0,0,0,1|2,0,0]=4 3354 B21R3.21587 Brc1cc(ccn1)COCc2csc3c2cccc3 34a_100009814636_200000742921 [0,1,0,0,0,1|1,0,0]=3 3355 B21R3.21587 Brc1cc(ccn1)COCc2csc3c2cccc3 34a_100011219454_100010243470 [0,1,0,0,0,1|1,0,0]=3 3356 B21R3.21587 Brc1cc(ccn1)COCc2noc3c2cccc3 34a_100009814636_100009813815 [0,1,0,0,0,1|2,0,0]=4 3357 B21R3.21587 Brc1cc(ccn1)COCc2noc3c2cccc3 7a_100009814636_100009813815 [0,1,0,0,0,1|2,0,0]=4 3358 B21R3.21587 Brc1cc(ccn1)CSCc2csc3c2cccc3 62a_100010254460_200000742921 [0,1,0,0,0,1|1,0,0]=3 3359 B21R3.21587 Brc1cc(ccn1)CSCc2csc3c2cccc3 62a_200000742921_100010243470 [0,1,0,0,0,1|1,0,0]=3 3360 B21R3.21587 Brc1cc(ccn1)CSCc2noc3c2cccc3 62a_100009813815_100010243470 [0,1,0,0,0,1|2,0,0]=4 3361 B21R3.21587 Brc1cc(ccn1)CSCc2noc3c2cccc3 62a_100010254460_100009813815 [0,1,0,0,0,1|2,0,0]=4 3362 B21R3.21587 Brc1cc(ccn1)SCCc2c[nH]c3c2cccc3 62a_100009814637_100011218569 [0,1,0,0,0,1|0,0,0]=2 3363 B21R3.21587 Brc1cc(ccn1)SCCc2c[nH]c3c2cccn3 62a_100009814637_100009895007 [0,1,0,0,0,1|1,0,0]=3 3364 B21R3.21587 Brc1cccc(c1)CCOc2csc3c2cccc3 34a_100000077758_100011740638 [0,1,0,0,0,1|2,0,0]=4 3365 B21R3.21587 Brc1cccc(c1)CCOc2csc3c2cccc3 7a_100000077758_100011740638 [0,1,0,0,0,1|2,0,0]=4 3366 B21R3.21587 Brc1cccc(c1)CCSc2c[nH]c3c2cccn3 62a_100011740638_100011934613 [0,1,0,0,0,1|2,0,0]=4 3367 B21R3.21587 Brc1cccc(c1)CCSc2c[nH]c3c2ccnc3 62a_100011740638_100010232032 [0,1,0,0,0,1|2,0,0]=4 3368 B21R3.21587 Brc1cccc(c1)CCSc2c[nH]c3c2cncc3 62a_100011740638_100000753697 [0,1,0,0,0,1|2,0,0]=4 3369 B21R3.21587 Brc1cccc(c1)CCSc2c[nH]c3c2nccc3 62a_100011740638_100009817151 [0,1,0,0,0,1|2,0,0]=4 3370 B21R3.21587 Brc1cccc(c1)CCSc2coc3c2cccc3 62a_100011740638_100009812202 [0,1,0,0,0,1|2,0,0]=4 3371 B21R3.21587 Brc1cccc(c1)CCSc2n[nH]c3c2cccc3 62a_100011740638_100000050141 [0,1,0,0,0,1|2,0,0]=4 3372 B21R3.21587 Brc1cccc(c1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000210085 [0,1,0,0,0,1|1,0,0]=3 3373 B21R3.21587 Brc1cccc(c1)CNCc2c[nH]c3c2ccnc3 270004a_100000174977_100000087688 [0,1,0,0,0,1|2,0,0]=4 3374 B21R3.21587 Brc1cccc(c1)CNCc2coc3c2cccc3 207a_100000174977_100000688544 [0,1,0,0,0,1|2,0,0]=4 3375 B21R3.21587 Brc1cccc(c1)CNCc2coc3c2cccc3 270004a_100000174977_100000688544 [0,1,0,0,0,1|2,0,0]=4 3376 B21R3.21587 Brc1cccc(c1)CNCc2csc3c2cccc3 207a_100000174977_100000239721 [0,1,0,0,0,1|2,0,0]=4 3377 B21R3.21587 Brc1cccc(c1)CNCc2csc3c2cccc3 207a_100000744611_100000210085 [0,1,0,0,0,1|2,0,0]=4 3378 B21R3.21587 Brc1cccc(c1)CNCc2csc3c2cccc3 2230a_100000174977_200000742921 [0,1,0,0,0,1|2,0,0]=4 3379 B21R3.21587 Brc1cccc(c1)CNCc2csc3c2cccc3 270004a_100000174977_100000239721 [0,1,0,0,0,1|2,0,0]=4 3380 B21R3.21587 Brc1cccc(c1)CNCc2csc3c2cccc3 270004a_100000744611_100000210085 [0,1,0,0,0,1|2,0,0]=4 3381 B21R3.21587 Brc1cccc(c1)CNCc2csc3c2cccc3 34a_100000174977_200000742921 [0,1,0,0,0,1|2,0,0]=4 3382 B21R3.21587 Brc1cccc(c1)CNCc2csc3c2cccc3 34a_100000744611_100000698116 [0,1,0,0,0,1|2,0,0]=4 3383 B21R3.21587 Brc1cccc(c1)CNCc2n[nH]c3c2cccc3 207a_100000174977_100000059708 [0,1,0,0,0,1|2,0,0]=4 3384 B21R3.21587 Brc1cccc(c1)CNCc2n[nH]c3c2cccc3 270004a_100000174977_100000059708 [0,1,0,0,0,1|2,0,0]=4 3385 B21R3.21587 Brc1cccc(c1)COCc2csc3c2cccc3 34a_100000687537_200000742921 [0,1,0,0,0,1|2,0,0]=4 3386 B21R3.21587 Brc1cccc(c1)COCc2csc3c2cccc3 34a_100011219454_100000698116 [0,1,0,0,0,1|2,0,0]=4 3387 B21R3.21587 Brc1cccc(c1)NCCc2c[nH]c3c2cccc3 34a_100000210019_100011218569 [0,1,0,0,0,1|1,0,0]=3 3388 B21R3.21587 Brc1cccc(c1)OCCc2c[nH]c3c2cccc3 34a_100000210342_100011218569 [0,1,0,0,0,1|1,0,0]=3 3389 B21R3.21587 Brc1cccc(c1)OCCc2c[nH]c3c2cccc3 7a_100000210342_100011218569 [0,1,0,0,0,1|1,0,0]=3 3390 B21R3.21587 Brc1cccc(c1)OCCc2c[nH]c3c2cccn3 7a_100000210342_100009895007 [0,1,0,0,0,1|2,0,0]=4 3391 B21R3.21587 Brc1cccc(c1)SCCc2c[nH]c3c2cccc3 62a_100000691529_100011218569 [0,1,0,0,0,1|1,0,0]=3 3392 B21R3.21587 Brc1cccc(c1)SCCc2c[nH]c3c2cccn3 62a_100000691529_100009895007 [0,1,0,0,0,1|2,0,0]=4 3393 B21R3.21587 Brc1cccc(n1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000688028 [0,1,0,0,0,1|2,0,0]=4 3394 B21R3.21587 Brc1cccc(n1)SCCc2c[nH]c3c2cccc3 62a_100000684672_100011218569 [0,1,0,0,0,1|2,0,0]=4 3395 B21R3.21587 Brc1ccnc(c1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100009818557 [0,1,0,0,0,1|2,0,0]=4 3396 B21R3.21587 Brc1cncc(c1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000687066 [0,1,0,0,0,1|2,0,0]=4 3397 B21R3.21587 Brc1cncc(c1)OCCc2c[nH]c3c2cccc3 34a_100000754920_100011218569 [0,1,0,0,0,1|2,0,0]=4 3398 B21R3.21587 Brc1cncc(c1)OCCc2c[nH]c3c2cccc3 7a_100000754920_100011218569 [0,1,0,0,0,1|2,0,0]=4 3399 B21R3.21587 Brc1cncc(c1)SCCc2c[nH]c3c2cccc3 62a_100000728054_100011218569 [0,1,0,0,0,1|2,0,0]=4 3400 B21R3.21587 C[n+]1cccc(c1)SCCc2c[nH]c3c2cccc3 62a_100009996589_100011218569 [0,1,0,0,0,1|2,0,0]=4 3401 B21R3.21587 Cc1cc(ccn1)CNCc2[nH]nc3c2cccc3 207a_100011642502_100011361630 [0,1,0,0,0,1|1,0,1]=4 3402 B21R3.21587 Cc1cc(ccn1)CNCc2[nH]nc3c2cccc3 270004a_100011642502_100011361630 [0,1,0,0,0,1|1,0,1]=4 3403 B21R3.21587 Cc1cc(ccn1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100011361630 [0,1,0,0,0,1|0,0,0]=2 3404 B21R3.21587 Cc1cc(ccn1)CNCc2c[nH]c3c2ccnc3 270004a_100011934566_100000087688 [0,1,0,0,0,1|1,0,0]=3 3405 B21R3.21587 Cc1cc(ccn1)CNCc2cnc3n2cccc3 207a_100011934566_100000052358 [0,1,0,0,0,1|1,0,1]=4 3406 B21R3.21587 Cc1cc(ccn1)CNCc2cnc3n2cccc3 207a_100015187830_100011361630 [0,1,0,0,0,1|1,0,1]=4 3407 B21R3.21587 Cc1cc(ccn1)CNCc2cnc3n2cccc3 2230a_100015187830_200020672517 [0,1,0,0,0,1|1,0,1]=4 3408 B21R3.21587 Cc1cc(ccn1)CNCc2cnc3n2cccc3 270004a_100011934566_100000052358 [0,1,0,0,0,1|1,0,1]=4 3409 B21R3.21587 Cc1cc(ccn1)CNCc2cnc3n2cccc3 270004a_100015187830_100011361630 [0,1,0,0,0,1|1,0,1]=4 3410 B21R3.21587 Cc1cc(ccn1)CNCc2cnn3c2cccc3 207a_100011934566_100011787723 [0,1,0,0,0,1|1,0,1]=4 3411 B21R3.21587 Cc1cc(ccn1)CNCc2cnn3c2cccc3 270004a_100011934566_100011787723 [0,1,0,0,0,1|1,0,1]=4 3412 B21R3.21587 Cc1cc(ccn1)CNCc2coc3c2cccc3 207a_100011934566_100000688544 [0,1,0,0,0,1|1,0,0]=3 3413 B21R3.21587 Cc1cc(ccn1)CNCc2coc3c2cccc3 270004a_100011934566_100000688544 [0,1,0,0,0,1|1,0,0]=3 3414 B21R3.21587 Cc1cc(ccn1)CNCc2csc3c2cccc3 207a_100000744611_100011361630 [0,1,0,0,0,1|1,0,0]=3 3415 B21R3.21587 Cc1cc(ccn1)CNCc2csc3c2cccc3 207a_100011934566_100000239721 [0,1,0,0,0,1|1,0,0]=3 3416 B21R3.21587 Cc1cc(ccn1)CNCc2csc3c2cccc3 270004a_100000744611_100011361630 [0,1,0,0,0,1|1,0,0]=3 3417 B21R3.21587 Cc1cc(ccn1)CNCc2csc3c2cccc3 270004a_100011934566_100000239721 [0,1,0,0,0,1|1,0,0]=3 3418 B21R3.21587 Cc1cc(ccn1)CNCc2csc3c2cccc3 34a_100000744611_200020672517 [0,1,0,0,0,1|1,0,0]=3 3419 B21R3.21587 Cc1cc(ccn1)CNCc2csc3c2cccc3 34a_100011934566_200000742921 [0,1,0,0,0,1|1,0,0]=3 3420 B21R3.21587 Cc1cc(ccn1)CNCc2n[nH]c3c2cccc3 207a_100011934566_100000059708 [0,1,0,0,0,1|1,0,0]=3 3421 B21R3.21587 Cc1cc(ccn1)CNCc2n[nH]c3c2cccc3 270004a_100011934566_100000059708 [0,1,0,0,0,1|1,0,0]=3 3422 B21R3.21587 Cc1cc(ccn1)CNCc2noc3c2cccc3 34a_100011934566_100009813815 [0,1,0,0,0,1|2,0,0]=4 3423 B21R3.21587 Cc1cc(ccn1)COCc2csc3c2cccc3 34a_100011219454_200020672517 [0,1,0,0,0,1|1,0,0]=3 3424 B21R3.21587 Cc1cc(ccn1)COCc2csc3c2cccc3 34a_100011998630_200000742921 [0,1,0,0,0,1|1,0,0]=3 3425 B21R3.21587 Cc1cc(ccn1)COCc2noc3c2cccc3 34a_100011998630_100009813815 [0,1,0,0,0,1|2,0,0]=4 3426 B21R3.21587 Cc1cc(ccn1)CSCc2csc3c2cccc3 62a_200000742921_200020672517 [0,1,0,0,0,1|1,0,0]=3 3427 B21R3.21587 Cc1cc(ccn1)CSCc2csc3c2cccc3 62a_200020672517_200000742921 [0,1,0,0,0,1|1,0,0]=3 3428 B21R3.21587 Cc1cc(ccn1)CSCc2noc3c2cccc3 62a_100009813815_200020672517 [0,1,0,0,0,1|2,0,0]=4 3429 B21R3.21587 Cc1cc(ccn1)CSCc2noc3c2cccc3 62a_200020672517_100009813815 [0,1,0,0,0,1|2,0,0]=4 3430 B21R3.21587 Cc1cc(ccn1)NCCc2c[nH]c3c2cccc3 27a_100000211132_100000758586 [0,1,0,0,0,1|0,0,0]=2 3431 B21R3.21587 Cc1cc(ccn1)NCCc2coc3c2cccc3 27a_100011934666_100000758586 [0,1,0,0,0,1|1,0,0]=3 3432 B21R3.21587 Cc1cc(ccn1)NCCn2cnc3c2cccc3 27a_100000746447_100000758586 [0,1,0,0,0,1|1,0,1]=4 3433 B21R3.21587 Cc1cc(ccn1)OCCc2c[nH]c3c2cccc3 34a_100000688365_100011218569 [0,1,0,0,0,1|0,0,0]=2 3434 B21R3.21587 Cc1cc(ccn1)SCCc2c[nH]c3c2cccc3 62a_100000758586_100011218569 [0,1,0,0,0,1|0,0,0]=2 3435 B21R3.21587 Cc1cc(ccn1)SCCc2c[nH]c3c2cccn3 62a_100000758586_100009895007 [0,1,0,0,0,1|1,0,0]=3 3436 B21R3.21587 Cc1cc(ncn1)NCCc2c[nH]c3c2cccc3 27a_100000211132_100000744208 [0,1,0,0,0,1|1,0,0]=3 3437 B21R3.21587 Cc1cc(ncn1)NCCc2coc3c2cccc3 27a_100011934666_100000744208 [0,1,0,0,0,1|2,0,0]=4 3438 B21R3.21587 Cc1cc(ncn1)SCCc2c[nH]c3c2cccc3 62a_100000744208_100011218569 [0,1,0,0,0,1|1,0,0]=3 3439 B21R3.21587 Cc1cc(ncn1)SCCc2c[nH]c3c2cccn3 62a_100000744208_100009895007 [0,1,0,0,0,1|2,0,0]=4 3440 B21R3.21587 Cc1cccc(c1)CCOc2csc3c2cccc3 34a_100000077758_100011713685 [0,1,0,0,0,1|2,0,0]=4 3441 B21R3.21587 Cc1cccc(c1)CCOc2csc3c2cccc3 7a_100000077758_100011713685 [0,1,0,0,0,1|2,0,0]=4 3442 B21R3.21587 Cc1cccc(c1)CCSc2c[nH]c3c2cccn3 62a_100011713685_100011934613 [0,1,0,0,0,1|2,0,0]=4 3443 B21R3.21587 Cc1cccc(c1)CCSc2c[nH]c3c2ccnc3 62a_100011713685_100010232032 [0,1,0,0,0,1|2,0,0]=4 3444 B21R3.21587 Cc1cccc(c1)CCSc2c[nH]c3c2cncc3 62a_100011713685_100000753697 [0,1,0,0,0,1|2,0,0]=4 3445 B21R3.21587 Cc1cccc(c1)CCSc2c[nH]c3c2nccc3 62a_100011713685_100009817151 [0,1,0,0,0,1|2,0,0]=4 3446 B21R3.21587 Cc1cccc(c1)CCSc2coc3c2cccc3 62a_100011713685_100009812202 [0,1,0,0,0,1|2,0,0]=4 3447 B21R3.21587 Cc1cccc(c1)CCSc2csc3c2cccc3 62a_100011713685_100009813928 [0,1,0,0,0,1|2,0,0]=4 3448 B21R3.21587 Cc1cccc(c1)CCSc2n[nH]c3c2cccc3 62a_100011713685_100000050141 [0,1,0,0,0,1|2,0,0]=4 3449 B21R3.21587 Cc1cccc(c1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000211157 [0,1,0,0,0,1|1,0,0]=3 3450 B21R3.21587 Cc1cccc(c1)CNCc2c[nH]c3c2ccnc3 270004a_100000185548_100000087688 [0,1,0,0,0,1|2,0,0]=4 3451 B21R3.21587 Cc1cccc(c1)CNCc2coc3c2cccc3 207a_100000185548_100000688544 [0,1,0,0,0,1|2,0,0]=4 3452 B21R3.21587 Cc1cccc(c1)CNCc2coc3c2cccc3 270004a_100000185548_100000688544 [0,1,0,0,0,1|2,0,0]=4 3453 B21R3.21587 Cc1cccc(c1)CNCc2csc3c2cccc3 207a_100000185548_100000239721 [0,1,0,0,0,1|2,0,0]=4 3454 B21R3.21587 Cc1cccc(c1)CNCc2csc3c2cccc3 207a_100000744611_100000211157 [0,1,0,0,0,1|2,0,0]=4 3455 B21R3.21587 Cc1cccc(c1)CNCc2csc3c2cccc3 2230a_100000185548_200000742921 [0,1,0,0,0,1|2,0,0]=4 3456 B21R3.21587 Cc1cccc(c1)CNCc2csc3c2cccc3 270004a_100000185548_100000239721 [0,1,0,0,0,1|2,0,0]=4 3457 B21R3.21587 Cc1cccc(c1)CNCc2csc3c2cccc3 270004a_100000744611_100000211157 [0,1,0,0,0,1|2,0,0]=4 3458 B21R3.21587 Cc1cccc(c1)CNCc2csc3c2cccc3 34a_100000185548_200000742921 [0,1,0,0,0,1|2,0,0]=4 3459 B21R3.21587 Cc1cccc(c1)CNCc2csc3c2cccc3 34a_100000744611_100000211840 [0,1,0,0,0,1|2,0,0]=4 3460 B21R3.21587 Cc1cccc(c1)CNCc2n[nH]c3c2cccc3 207a_100000185548_100000059708 [0,1,0,0,0,1|2,0,0]=4 3461 B21R3.21587 Cc1cccc(c1)CNCc2n[nH]c3c2cccc3 270004a_100000185548_100000059708 [0,1,0,0,0,1|2,0,0]=4 3462 B21R3.21587 Cc1cccc(c1)COCc2csc3c2cccc3 34a_100011217746_200000742921 [0,1,0,0,0,1|2,0,0]=4 3463 B21R3.21587 Cc1cccc(c1)COCc2csc3c2cccc3 34a_100011219454_100000211840 [0,1,0,0,0,1|2,0,0]=4 3464 B21R3.21587 Cc1cccc(c1)CSCc2csc3c2cccc3 62a_100000211840_200000742921 [0,1,0,0,0,1|2,0,0]=4 3465 B21R3.21587 Cc1cccc(c1)CSCc2csc3c2cccc3 62a_200000742921_100000211840 [0,1,0,0,0,1|2,0,0]=4 3466 B21R3.21587 Cc1cccc(c1)NCCc2c[nH]c3c2cccc3 2230a_100000188690_100011218569 [0,1,0,0,0,1|1,0,0]=3 3467 B21R3.21587 Cc1cccc(c1)NCCc2c[nH]c3c2cccc3 34a_100000188690_100011218569 [0,1,0,0,0,1|1,0,0]=3 3468 B21R3.21587 Cc1cccc(c1)NCCc2c[nH]c3c2cccn3 2230a_100000188690_100009895007 [0,1,0,0,0,1|2,0,0]=4 3469 B21R3.21587 Cc1cccc(c1)OCCc2c[nH]c3c2cccc3 34a_100000210337_100011218569 [0,1,0,0,0,1|1,0,0]=3 3470 B21R3.21587 Cc1cccc(c1)OCCc2c[nH]c3c2cccc3 7a_100000210337_100011218569 [0,1,0,0,0,1|1,0,0]=3 3471 B21R3.21587 Cc1cccc(c1)OCCc2c[nH]c3c2cccn3 7a_100000210337_100009895007 [0,1,0,0,0,1|2,0,0]=4 3472 B21R3.21587 Cc1cccc(c1)SCCc2c[nH]c3c2cccc3 62a_100011215228_100011218569 [0,1,0,0,0,1|1,0,0]=3 3473 B21R3.21587 Cc1cccc(c1)SCCc2c[nH]c3c2cccn3 62a_100011215228_100009895007 [0,1,0,0,0,1|2,0,0]=4 3474 B21R3.21587 Cc1cccc(n1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100011215050 [0,1,0,0,0,1|2,0,0]=4 3475 B21R3.21587 Cc1cccc(n1)SCCc2c[nH]c3c2cccc3 62a_100000742759_100011218569 [0,1,0,0,0,1|2,0,0]=4 3476 B21R3.21587 Cc1ccnc(c1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100011361488 [0,1,0,0,0,1|2,0,0]=4 3477 B21R3.21587 Cc1ccnc(c1)SCCc2c[nH]c3c2cccc3 62a_100000750283_100011218569 [0,1,0,0,0,1|2,0,0]=4 3478 B21R3.21587 Cc1cncc(c1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100011998712 [0,1,0,0,0,1|2,0,0]=4 3479 B21R3.21587 Cc1cncc(c1)OCCc2c[nH]c3c2cccc3 34a_100011830280_100011218569 [0,1,0,0,0,1|2,0,0]=4 3480 B21R3.21587 Cc1cncc(c1)OCCc2c[nH]c3c2cccc3 7a_100011830280_100011218569 [0,1,0,0,0,1|2,0,0]=4 3481 B21R3.21587 Cc1cncc(c1)SCCc2c[nH]c3c2cccc3 62a_100000760492_100011218569 [0,1,0,0,0,1|2,0,0]=4 3482 B21R3.21587 Cc1nccc(n1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100011361539 [0,1,0,0,0,1|1,0,0]=3 3483 B21R3.21587 Cc1nccc(n1)CNCc2csc3c2cccc3 270004a_100000744611_100011361539 [0,1,0,0,0,1|2,0,0]=4 3484 B21R3.21587 Cc1nccc(n1)NCCc2c[nH]c3c2cccc3 27a_100000211132_100000749937 [0,1,0,0,0,1|1,0,0]=3 3485 B21R3.21587 Cc1nccc(n1)NCCc2coc3c2cccc3 27a_100011934666_100000749937 [0,1,0,0,0,1|2,0,0]=4 3486 B21R3.21587 Cc1nccc(n1)SCCc2c[nH]c3c2cccc3 62a_100000749937_100011218569 [0,1,0,0,0,1|1,0,0]=3 3487 B21R3.21587 Cc1nccc(n1)SCCc2c[nH]c3c2cccn3 62a_100000749937_100009895007 [0,1,0,0,0,1|2,0,0]=4 3488 B21R3.21587 Clc1cc(ccn1)CNCc2[nH]nc3c2cccc3 270004a_100011642502_100011290808 [0,1,0,0,0,1|1,0,1]=4 3489 B21R3.21587 Clc1cc(ccn1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100011290808 [0,1,0,0,0,1|0,0,0]=2 3490 B21R3.21587 Clc1cc(ccn1)CNCc2c[nH]c3c2ccnc3 270004a_100015205668_100000087688 [0,1,0,0,0,1|1,0,0]=3 3491 B21R3.21587 Clc1cc(ccn1)CNCc2cnc3n2cccc3 2230a_100015187830_100000764220 [0,1,0,0,0,1|1,0,1]=4 3492 B21R3.21587 Clc1cc(ccn1)CNCc2cnc3n2cccc3 270004a_100015187830_100011290808 [0,1,0,0,0,1|1,0,1]=4 3493 B21R3.21587 Clc1cc(ccn1)CNCc2cnc3n2cccc3 270004a_100015205668_100000052358 [0,1,0,0,0,1|1,0,1]=4 3494 B21R3.21587 Clc1cc(ccn1)CNCc2cnn3c2cccc3 270004a_100015205668_100011787723 [0,1,0,0,0,1|1,0,1]=4 3495 B21R3.21587 Clc1cc(ccn1)CNCc2coc3c2cccc3 270004a_100015205668_100000688544 [0,1,0,0,0,1|1,0,0]=3 3496 B21R3.21587 Clc1cc(ccn1)CNCc2csc3c2cccc3 2230a_100015205668_200000742921 [0,1,0,0,0,1|1,0,0]=3 3497 B21R3.21587 Clc1cc(ccn1)CNCc2csc3c2cccc3 270004a_100000744611_100011290808 [0,1,0,0,0,1|1,0,0]=3 3498 B21R3.21587 Clc1cc(ccn1)CNCc2csc3c2cccc3 270004a_100015205668_100000239721 [0,1,0,0,0,1|1,0,0]=3 3499 B21R3.21587 Clc1cc(ccn1)CNCc2csc3c2cccc3 34a_100000744611_100000764220 [0,1,0,0,0,1|1,0,0]=3 3500 B21R3.21587 Clc1cc(ccn1)CNCc2csc3c2cccc3 34a_100015205668_200000742921 [0,1,0,0,0,1|1,0,0]=3 3501 B21R3.21587 Clc1cc(ccn1)CNCc2n[nH]c3c2cccc3 270004a_100015205668_100000059708 [0,1,0,0,0,1|1,0,0]=3 3502 B21R3.21587 Clc1cc(ccn1)CNCc2noc3c2cccc3 34a_100015205668_100009813815 [0,1,0,0,0,1|2,0,0]=4 3503 B21R3.21587 Clc1cc(ccn1)COCc2csc3c2cccc3 34a_100000748751_200000742921 [0,1,0,0,0,1|1,0,0]=3 3504 B21R3.21587 Clc1cc(ccn1)COCc2csc3c2cccc3 34a_100011219454_100000764220 [0,1,0,0,0,1|1,0,0]=3 3505 B21R3.21587 Clc1cc(ccn1)COCc2noc3c2cccc3 34a_100000748751_100009813815 [0,1,0,0,0,1|2,0,0]=4 3506 B21R3.21587 Clc1cc(ccn1)CSCc2csc3c2cccc3 62a_100000764220_200000742921 [0,1,0,0,0,1|1,0,0]=3 3507 B21R3.21587 Clc1cc(ccn1)CSCc2csc3c2cccc3 62a_200000742921_100000764220 [0,1,0,0,0,1|1,0,0]=3 3508 B21R3.21587 Clc1cc(ccn1)CSCc2noc3c2cccc3 62a_100000764220_100009813815 [0,1,0,0,0,1|2,0,0]=4 3509 B21R3.21587 Clc1cc(ccn1)CSCc2noc3c2cccc3 62a_100009813815_100000764220 [0,1,0,0,0,1|2,0,0]=4 3510 B21R3.21587 Clc1cc(ccn1)NN=Cc2c[nH]c3c2cccc3 4a_100000089018_100000182151 [0,1,0,0,0,1|1,0,1]=4 3511 B21R3.21587 Clc1cc(ccn1)OCCc2c[nH]c3c2cccc3 34a_100000762945_100011218569 [0,1,0,0,0,1|0,0,0]=2 3512 B21R3.21587 Clc1cc(ccn1)SCCc2c[nH]c3c2cccc3 62a_100000035001_100011218569 [0,1,0,0,0,1|0,0,0]=2 3513 B21R3.21587 Clc1cc(ccn1)SCCc2c[nH]c3c2cccn3 62a_100000035001_100009895007 [0,1,0,0,0,1|1,0,0]=3 3514 B21R3.21587 Clc1cc(cnn1)OCCc2c[nH]c3c2cccc3 34a_200010734679_100011218569 [0,1,0,0,0,1|1,0,0]=3 3515 B21R3.21587 Clc1cc(ncn1)SCCc2c[nH]c3c2cccc3 62a_100010161198_100011218569 [0,1,0,0,0,1|1,0,0]=3 3516 B21R3.21587 Clc1cc(ncn1)SCCc2c[nH]c3c2cccn3 62a_100010161198_100009895007 [0,1,0,0,0,1|2,0,0]=4 3517 B21R3.21587 Clc1cccc(c1)CCOc2csc3c2cccc3 34a_100000077758_100011713710 [0,1,0,0,0,1|2,0,0]=4 3518 B21R3.21587 Clc1cccc(c1)CCOc2csc3c2cccc3 7a_100000077758_100011713710 [0,1,0,0,0,1|2,0,0]=4 3519 B21R3.21587 Clc1cccc(c1)CCSc2c[nH]c3c2cccn3 62a_100011713710_100011934613 [0,1,0,0,0,1|2,0,0]=4 3520 B21R3.21587 Clc1cccc(c1)CCSc2c[nH]c3c2ccnc3 62a_100011713710_100010232032 [0,1,0,0,0,1|2,0,0]=4 3521 B21R3.21587 Clc1cccc(c1)CCSc2c[nH]c3c2cncc3 62a_100011713710_100000753697 [0,1,0,0,0,1|2,0,0]=4 3522 B21R3.21587 Clc1cccc(c1)CCSc2c[nH]c3c2nccc3 62a_100011713710_100009817151 [0,1,0,0,0,1|2,0,0]=4 3523 B21R3.21587 Clc1cccc(c1)CCSc2coc3c2cccc3 62a_100011713710_100009812202 [0,1,0,0,0,1|2,0,0]=4 3524 B21R3.21587 Clc1cccc(c1)CCSc2csc3c2cccc3 62a_100011713710_100009813928 [0,1,0,0,0,1|2,0,0]=4 3525 B21R3.21587 Clc1cccc(c1)CCSc2n[nH]c3c2cccc3 62a_100011713710_100000050141 [0,1,0,0,0,1|2,0,0]=4 3526 B21R3.21587 Clc1cccc(c1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000210801 [0,1,0,0,0,1|1,0,0]=3 3527 B21R3.21587 Clc1cccc(c1)CNCc2c[nH]c3c2ccnc3 270004a_100000174878_100000087688 [0,1,0,0,0,1|2,0,0]=4 3528 B21R3.21587 Clc1cccc(c1)CNCc2coc3c2cccc3 207a_100000174878_100000688544 [0,1,0,0,0,1|2,0,0]=4 3529 B21R3.21587 Clc1cccc(c1)CNCc2coc3c2cccc3 270004a_100000174878_100000688544 [0,1,0,0,0,1|2,0,0]=4 3530 B21R3.21587 Clc1cccc(c1)CNCc2csc3c2cccc3 207a_100000174878_100000239721 [0,1,0,0,0,1|2,0,0]=4 3531 B21R3.21587 Clc1cccc(c1)CNCc2csc3c2cccc3 207a_100000744611_100000210801 [0,1,0,0,0,1|2,0,0]=4 3532 B21R3.21587 Clc1cccc(c1)CNCc2csc3c2cccc3 2230a_100000174878_200000742921 [0,1,0,0,0,1|2,0,0]=4 3533 B21R3.21587 Clc1cccc(c1)CNCc2csc3c2cccc3 270004a_100000174878_100000239721 [0,1,0,0,0,1|2,0,0]=4 3534 B21R3.21587 Clc1cccc(c1)CNCc2csc3c2cccc3 270004a_100000744611_100000210801 [0,1,0,0,0,1|2,0,0]=4 3535 B21R3.21587 Clc1cccc(c1)CNCc2csc3c2cccc3 34a_100000174878_200000742921 [0,1,0,0,0,1|2,0,0]=4 3536 B21R3.21587 Clc1cccc(c1)CNCc2csc3c2cccc3 34a_100000744611_100000187163 [0,1,0,0,0,1|2,0,0]=4 3537 B21R3.21587 Clc1cccc(c1)CNCc2n[nH]c3c2cccc3 207a_100000174878_100000059708 [0,1,0,0,0,1|2,0,0]=4 3538 B21R3.21587 Clc1cccc(c1)CNCc2n[nH]c3c2cccc3 270004a_100000174878_100000059708 [0,1,0,0,0,1|2,0,0]=4 3539 B21R3.21587 Clc1cccc(c1)COCc2csc3c2cccc3 34a_100000241301_200000742921 [0,1,0,0,0,1|2,0,0]=4 3540 B21R3.21587 Clc1cccc(c1)COCc2csc3c2cccc3 34a_100011219454_100000187163 [0,1,0,0,0,1|2,0,0]=4 3541 B21R3.21587 Clc1cccc(c1)CSCc2csc3c2cccc3 62a_100000187163_200000742921 [0,1,0,0,0,1|2,0,0]=4 3542 B21R3.21587 Clc1cccc(c1)CSCc2csc3c2cccc3 62a_200000742921_100000187163 [0,1,0,0,0,1|2,0,0]=4 3543 B21R3.21587 Clc1cccc(c1)NCCc2c[nH]c3c2cccc3 34a_100000185859_100011218569 [0,1,0,0,0,1|1,0,0]=3 3544 B21R3.21587 Clc1cccc(c1)OCCc2c[nH]c3c2cccc3 34a_100000210295_100011218569 [0,1,0,0,0,1|1,0,0]=3 3545 B21R3.21587 Clc1cccc(c1)OCCc2c[nH]c3c2cccc3 7a_100000210295_100011218569 [0,1,0,0,0,1|1,0,0]=3 3546 B21R3.21587 Clc1cccc(c1)OCCc2c[nH]c3c2cccn3 7a_100000210295_100009895007 [0,1,0,0,0,1|2,0,0]=4 3547 B21R3.21587 Clc1cccc(c1)SCCc2c[nH]c3c2cccc3 62a_100000699651_100011218569 [0,1,0,0,0,1|1,0,0]=3 3548 B21R3.21587 Clc1cccc(c1)SCCc2c[nH]c3c2cccn3 62a_100000699651_100009895007 [0,1,0,0,0,1|2,0,0]=4 3549 B21R3.21587 Clc1cccc(n1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100011361687 [0,1,0,0,0,1|2,0,0]=4 3550 B21R3.21587 Clc1cccc(n1)SCCc2c[nH]c3c2cccc3 62a_100000051397_100011218569 [0,1,0,0,0,1|2,0,0]=4 3551 B21R3.21587 Clc1ccnc(c1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100011998288 [0,1,0,0,0,1|2,0,0]=4 3552 B21R3.21587 Clc1ccnc(c1)SCCc2c[nH]c3c2cccc3 62a_100010167805_100011218569 [0,1,0,0,0,1|2,0,0]=4 3553 B21R3.21587 Clc1cncc(c1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000088910 [0,1,0,0,0,1|2,0,0]=4 3554 B21R3.21587 Clc1cncc(c1)OCCc2c[nH]c3c2cccc3 7a_100000032511_100011218569 [0,1,0,0,0,1|2,0,0]=4 3555 B21R3.21587 Clc1cncc(c1)SCCc2c[nH]c3c2cccc3 62a_100000049639_100011218569 [0,1,0,0,0,1|2,0,0]=4 3556 B21R3.21587 Clc1nccc(n1)CNCc2csc3c2cccc3 34a_100000744611_100000099655 [0,1,0,0,0,1|2,0,0]=4 3557 B21R3.21587 Clc1nccc(n1)COCc2csc3c2cccc3 34a_100011219454_100000099655 [0,1,0,0,0,1|2,0,0]=4 3558 B21R3.21587 Clc1nccc(n1)CSCc2csc3c2cccc3 62a_100000099655_200000742921 [0,1,0,0,0,1|2,0,0]=4 3559 B21R3.21587 Clc1nccc(n1)CSCc2csc3c2cccc3 62a_200000742921_100000099655 [0,1,0,0,0,1|2,0,0]=4 3560 B21R3.21587 Clc1nccc(n1)SCCc2c[nH]c3c2cccc3 62a_100010154678_100011218569 [0,1,0,0,0,1|1,0,0]=3 3561 B21R3.21587 Clc1nccc(n1)SCCc2c[nH]c3c2cccn3 62a_100010154678_100009895007 [0,1,0,0,0,1|2,0,0]=4 3562 B21R3.21587 Fc1cc(ccn1)CNCc2[nH]nc3c2cccc3 270004a_100011642502_100000068331 [0,1,0,0,0,1|1,0,1]=4 3563 B21R3.21587 Fc1cc(ccn1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000068331 [0,1,0,0,0,1|0,0,0]=2 3564 B21R3.21587 Fc1cc(ccn1)CNCc2c[nH]c3c2ccnc3 270004a_100015188774_100000087688 [0,1,0,0,0,1|1,0,0]=3 3565 B21R3.21587 Fc1cc(ccn1)CNCc2cnc3n2cccc3 270004a_100015187830_100000068331 [0,1,0,0,0,1|1,0,1]=4 3566 B21R3.21587 Fc1cc(ccn1)CNCc2cnc3n2cccc3 270004a_100015188774_100000052358 [0,1,0,0,0,1|1,0,1]=4 3567 B21R3.21587 Fc1cc(ccn1)CNCc2cnn3c2cccc3 270004a_100015188774_100011787723 [0,1,0,0,0,1|1,0,1]=4 3568 B21R3.21587 Fc1cc(ccn1)CNCc2coc3c2cccc3 270004a_100015188774_100000688544 [0,1,0,0,0,1|1,0,0]=3 3569 B21R3.21587 Fc1cc(ccn1)CNCc2csc3c2cccc3 2230a_100015188774_200000742921 [0,1,0,0,0,1|1,0,0]=3 3570 B21R3.21587 Fc1cc(ccn1)CNCc2csc3c2cccc3 270004a_100000744611_100000068331 [0,1,0,0,0,1|1,0,0]=3 3571 B21R3.21587 Fc1cc(ccn1)CNCc2csc3c2cccc3 270004a_100015188774_100000239721 [0,1,0,0,0,1|1,0,0]=3 3572 B21R3.21587 Fc1cc(ccn1)CNCc2csc3c2cccc3 34a_100015188774_200000742921 [0,1,0,0,0,1|1,0,0]=3 3573 B21R3.21587 Fc1cc(ccn1)CNCc2n[nH]c3c2cccc3 270004a_100015188774_100000059708 [0,1,0,0,0,1|1,0,0]=3 3574 B21R3.21587 Fc1cc(ccn1)CNCc2noc3c2cccc3 34a_100015188774_100009813815 [0,1,0,0,0,1|2,0,0]=4 3575 B21R3.21587 Fc1cc(ccn1)COCc2csc3c2cccc3 34a_100000082451_200000742921 [0,1,0,0,0,1|1,0,0]=3 3576 B21R3.21587 Fc1cc(ccn1)COCc2noc3c2cccc3 34a_100000082451_100009813815 [0,1,0,0,0,1|2,0,0]=4 3577 B21R3.21587 Fc1cc(ccn1)NCCc2c[nH]c3c2cccc3 27a_100000211132_100009816116 [0,1,0,0,0,1|0,0,0]=2 3578 B21R3.21587 Fc1cc(ccn1)NCCc2coc3c2cccc3 27a_100011934666_100009816116 [0,1,0,0,0,1|1,0,0]=3 3579 B21R3.21587 Fc1cc(ccn1)NCCn2cnc3c2cccc3 27a_100000746447_100009816116 [0,1,0,0,0,1|1,0,1]=4 3580 B21R3.21587 Fc1cc(ccn1)OCCc2c[nH]c3c2cccc3 34a_100000732698_100011218569 [0,1,0,0,0,1|0,0,0]=2 3581 B21R3.21587 Fc1cc(ccn1)SCCc2c[nH]c3c2cccc3 62a_100009816116_100011218569 [0,1,0,0,0,1|0,0,0]=2 3582 B21R3.21587 Fc1cc(ccn1)SCCc2c[nH]c3c2cccn3 62a_100009816116_100009895007 [0,1,0,0,0,1|1,0,0]=3 3583 B21R3.21587 Fc1cc(ncn1)NCCc2c[nH]c3c2cccc3 27a_100000211132_200009880791 [0,1,0,0,0,1|1,0,0]=3 3584 B21R3.21587 Fc1cc(ncn1)NCCc2coc3c2cccc3 27a_100011934666_200009880791 [0,1,0,0,0,1|2,0,0]=4 3585 B21R3.21587 Fc1cc(ncn1)SCCc2c[nH]c3c2cccc3 62a_200009880791_100011218569 [0,1,0,0,0,1|1,0,0]=3 3586 B21R3.21587 Fc1cc(ncn1)SCCc2c[nH]c3c2cccn3 62a_200009880791_100009895007 [0,1,0,0,0,1|2,0,0]=4 3587 B21R3.21587 Fc1cccc(c1)CCOc2csc3c2cccc3 34a_100000077758_100011217235 [0,1,0,0,0,1|2,0,0]=4 3588 B21R3.21587 Fc1cccc(c1)CCOc2csc3c2cccc3 7a_100000077758_100011217235 [0,1,0,0,0,1|2,0,0]=4 3589 B21R3.21587 Fc1cccc(c1)CCSc2c[nH]c3c2cccn3 62a_100011217235_100011934613 [0,1,0,0,0,1|2,0,0]=4 3590 B21R3.21587 Fc1cccc(c1)CCSc2c[nH]c3c2ccnc3 62a_100011217235_100010232032 [0,1,0,0,0,1|2,0,0]=4 3591 B21R3.21587 Fc1cccc(c1)CCSc2c[nH]c3c2cncc3 62a_100011217235_100000753697 [0,1,0,0,0,1|2,0,0]=4 3592 B21R3.21587 Fc1cccc(c1)CCSc2c[nH]c3c2nccc3 62a_100011217235_100009817151 [0,1,0,0,0,1|2,0,0]=4 3593 B21R3.21587 Fc1cccc(c1)CCSc2coc3c2cccc3 62a_100011217235_100009812202 [0,1,0,0,0,1|2,0,0]=4 3594 B21R3.21587 Fc1cccc(c1)CCSc2csc3c2cccc3 62a_100011217235_100009813928 [0,1,0,0,0,1|2,0,0]=4 3595 B21R3.21587 Fc1cccc(c1)CCSc2n[nH]c3c2cccc3 62a_100011217235_100000050141 [0,1,0,0,0,1|2,0,0]=4 3596 B21R3.21587 Fc1cccc(c1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000210812 [0,1,0,0,0,1|1,0,0]=3 3597 B21R3.21587 Fc1cccc(c1)CNCc2c[nH]c3c2ccnc3 270004a_100000174948_100000087688 [0,1,0,0,0,1|2,0,0]=4 3598 B21R3.21587 Fc1cccc(c1)CNCc2coc3c2cccc3 207a_100000174948_100000688544 [0,1,0,0,0,1|2,0,0]=4 3599 B21R3.21587 Fc1cccc(c1)CNCc2coc3c2cccc3 270004a_100000174948_100000688544 [0,1,0,0,0,1|2,0,0]=4 3600 B21R3.21587 Fc1cccc(c1)CNCc2csc3c2cccc3 207a_100000174948_100000239721 [0,1,0,0,0,1|2,0,0]=4 3601 B21R3.21587 Fc1cccc(c1)CNCc2csc3c2cccc3 207a_100000744611_100000210812 [0,1,0,0,0,1|2,0,0]=4 3602 B21R3.21587 Fc1cccc(c1)CNCc2csc3c2cccc3 2230a_100000174948_200000742921 [0,1,0,0,0,1|2,0,0]=4 3603 B21R3.21587 Fc1cccc(c1)CNCc2csc3c2cccc3 270004a_100000174948_100000239721 [0,1,0,0,0,1|2,0,0]=4 3604 B21R3.21587 Fc1cccc(c1)CNCc2csc3c2cccc3 270004a_100000744611_100000210812 [0,1,0,0,0,1|2,0,0]=4 3605 B21R3.21587 Fc1cccc(c1)CNCc2csc3c2cccc3 34a_100000174948_200000742921 [0,1,0,0,0,1|2,0,0]=4 3606 B21R3.21587 Fc1cccc(c1)CNCc2csc3c2cccc3 34a_100000744611_100000187166 [0,1,0,0,0,1|2,0,0]=4 3607 B21R3.21587 Fc1cccc(c1)CNCc2n[nH]c3c2cccc3 207a_100000174948_100000059708 [0,1,0,0,0,1|2,0,0]=4 3608 B21R3.21587 Fc1cccc(c1)CNCc2n[nH]c3c2cccc3 270004a_100000174948_100000059708 [0,1,0,0,0,1|2,0,0]=4 3609 B21R3.21587 Fc1cccc(c1)COCc2csc3c2cccc3 34a_100000210976_200000742921 [0,1,0,0,0,1|2,0,0]=4 3610 B21R3.21587 Fc1cccc(c1)COCc2csc3c2cccc3 34a_100011219454_100000187166 [0,1,0,0,0,1|2,0,0]=4 3611 B21R3.21587 Fc1cccc(c1)CSCc2csc3c2cccc3 62a_100000230114_200000742921 [0,1,0,0,0,1|2,0,0]=4 3612 B21R3.21587 Fc1cccc(c1)CSCc2csc3c2cccc3 62a_200000742921_100000230114 [0,1,0,0,0,1|2,0,0]=4 3613 B21R3.21587 Fc1cccc(c1)NCCc2c[nH]c3c2cccc3 34a_100000210047_100011218569 [0,1,0,0,0,1|1,0,0]=3 3614 B21R3.21587 Fc1cccc(c1)OCCc2c[nH]c3c2cccc3 34a_100000210426_100011218569 [0,1,0,0,0,1|1,0,0]=3 3615 B21R3.21587 Fc1cccc(c1)OCCc2c[nH]c3c2cccc3 7a_100000210426_100011218569 [0,1,0,0,0,1|1,0,0]=3 3616 B21R3.21587 Fc1cccc(c1)OCCc2c[nH]c3c2cccn3 7a_100000210426_100009895007 [0,1,0,0,0,1|2,0,0]=4 3617 B21R3.21587 Fc1cccc(c1)SCCc2c[nH]c3c2cccc3 62a_100000685547_100011218569 [0,1,0,0,0,1|1,0,0]=3 3618 B21R3.21587 Fc1cccc(c1)SCCc2c[nH]c3c2cccn3 62a_100000685547_100009895007 [0,1,0,0,0,1|2,0,0]=4 3619 B21R3.21587 Fc1cccc(n1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000050434 [0,1,0,0,0,1|2,0,0]=4 3620 B21R3.21587 Fc1cccc(n1)NCCc2c[nH]c3c2cccc3 27a_100000211132_100009815982 [0,1,0,0,0,1|2,0,0]=4 3621 B21R3.21587 Fc1cccc(n1)OCCc2c[nH]c3c2cccc3 34a_100011432558_100011218569 [0,1,0,0,0,1|2,0,0]=4 3622 B21R3.21587 Fc1cccc(n1)SCCc2c[nH]c3c2cccc3 62a_100009815982_100011218569 [0,1,0,0,0,1|2,0,0]=4 3623 B21R3.21587 Fc1ccnc(c1)NCCc2c[nH]c3c2cccc3 27a_100000211132_100000764206 [0,1,0,0,0,1|2,0,0]=4 3624 B21R3.21587 Fc1ccnc(c1)SCCc2c[nH]c3c2cccc3 62a_100000764206_100011218569 [0,1,0,0,0,1|2,0,0]=4 3625 B21R3.21587 Fc1cncc(c1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100011361476 [0,1,0,0,0,1|2,0,0]=4 3626 B21R3.21587 Fc1cncc(c1)OCCc2c[nH]c3c2cccc3 34a_100011830296_100011218569 [0,1,0,0,0,1|2,0,0]=4 3627 B21R3.21587 Fc1cncc(c1)OCCc2c[nH]c3c2cccc3 7a_100011830296_100011218569 [0,1,0,0,0,1|2,0,0]=4 3628 B21R3.21587 Fc1cncc(c1)SCCc2c[nH]c3c2cccc3 62a_100000744099_100011218569 [0,1,0,0,0,1|2,0,0]=4 3629 B21R3.21587 Ic1cccc(c1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000014684 [0,1,0,0,0,1|1,0,0]=3 3630 B21R3.21587 Ic1cccc(c1)CNCc2c[nH]c3c2ccnc3 270004a_100000106179_100000087688 [0,1,0,0,0,1|2,0,0]=4 3631 B21R3.21587 Ic1cccc(c1)CNCc2coc3c2cccc3 207a_100000106179_100000688544 [0,1,0,0,0,1|2,0,0]=4 3632 B21R3.21587 Ic1cccc(c1)CNCc2coc3c2cccc3 270004a_100000106179_100000688544 [0,1,0,0,0,1|2,0,0]=4 3633 B21R3.21587 Ic1cccc(c1)CNCc2csc3c2cccc3 207a_100000106179_100000239721 [0,1,0,0,0,1|2,0,0]=4 3634 B21R3.21587 Ic1cccc(c1)CNCc2csc3c2cccc3 207a_100000744611_100000014684 [0,1,0,0,0,1|2,0,0]=4 3635 B21R3.21587 Ic1cccc(c1)CNCc2csc3c2cccc3 2230a_100000106179_200000742921 [0,1,0,0,0,1|2,0,0]=4 3636 B21R3.21587 Ic1cccc(c1)CNCc2csc3c2cccc3 270004a_100000106179_100000239721 [0,1,0,0,0,1|2,0,0]=4 3637 B21R3.21587 Ic1cccc(c1)CNCc2csc3c2cccc3 270004a_100000744611_100000014684 [0,1,0,0,0,1|2,0,0]=4 3638 B21R3.21587 Ic1cccc(c1)CNCc2csc3c2cccc3 34a_100000106179_200000742921 [0,1,0,0,0,1|2,0,0]=4 3639 B21R3.21587 Ic1cccc(c1)CNCc2csc3c2cccc3 34a_100000744611_100011218688 [0,1,0,0,0,1|2,0,0]=4 3640 B21R3.21587 Ic1cccc(c1)CNCc2n[nH]c3c2cccc3 207a_100000106179_100000059708 [0,1,0,0,0,1|2,0,0]=4 3641 B21R3.21587 Ic1cccc(c1)CNCc2n[nH]c3c2cccc3 270004a_100000106179_100000059708 [0,1,0,0,0,1|2,0,0]=4 3642 B21R3.21587 Ic1cccc(c1)COCc2csc3c2cccc3 34a_100011215336_200000742921 [0,1,0,0,0,1|2,0,0]=4 3643 B21R3.21587 Ic1cccc(c1)COCc2csc3c2cccc3 34a_100011219454_100011218688 [0,1,0,0,0,1|2,0,0]=4 3644 B21R3.21587 Ic1cccc(c1)CSCc2csc3c2cccc3 62a_100011218688_200000742921 [0,1,0,0,0,1|2,0,0]=4 3645 B21R3.21587 Ic1cccc(c1)CSCc2csc3c2cccc3 62a_200000742921_100011218688 [0,1,0,0,0,1|2,0,0]=4 3646 B21R3.21587 Ic1cccc(c1)NCCc2c[nH]c3c2cccc3 34a_100000211102_100011218569 [0,1,0,0,0,1|1,0,0]=3 3647 B21R3.21587 Ic1cccc(c1)OCCc2c[nH]c3c2cccc3 34a_100000211634_100011218569 [0,1,0,0,0,1|1,0,0]=3 3648 B21R3.21587 Ic1cccc(c1)OCCc2c[nH]c3c2cccc3 7a_100000211634_100011218569 [0,1,0,0,0,1|1,0,0]=3 3649 B21R3.21587 Ic1cccc(c1)OCCc2c[nH]c3c2cccn3 7a_100000211634_100009895007 [0,1,0,0,0,1|2,0,0]=4 3650 B21R3.21587 Nc1cc(ccn1)OCCc2c[nH]c3c2cccc3 34a_100011834064_100011218569 [0,1,0,0,0,1|0,0,0]=2 3651 B21R3.21587 Nc1cc(ccn1)SCCc2c[nH]c3c2cccc3 62a_100000049665_100011218569 [0,1,0,0,0,1|0,0,0]=2 3652 B21R3.21587 Nc1cc(ccn1)SCCc2c[nH]c3c2cccn3 62a_100000049665_100009895007 [0,1,0,0,0,1|1,0,0]=3 3653 B21R3.21587 Nc1cc(cnn1)OCCc2c[nH]c3c2cccc3 34a_200015193112_100011218569 [0,1,0,0,0,1|1,0,0]=3 3654 B21R3.21587 Nc1cc(cnn1)SCCc2c[nH]c3c2cccc3 62a_100000130277_100011218569 [0,1,0,0,0,1|1,0,0]=3 3655 B21R3.21587 Nc1cc(cnn1)SCCc2c[nH]c3c2cccn3 62a_100000130277_100009895007 [0,1,0,0,0,1|2,0,0]=4 3656 B21R3.21587 Nc1cc(ncn1)NCCc2c[nH]c3c2cccc3 27a_100000211132_100000701291 [0,1,0,0,0,1|1,0,0]=3 3657 B21R3.21587 Nc1cc(ncn1)NCCc2coc3c2cccc3 27a_100011934666_100000701291 [0,1,0,0,0,1|2,0,0]=4 3658 B21R3.21587 Nc1cc(ncn1)SCCc2c[nH]c3c2cccc3 62a_100000701291_100011218569 [0,1,0,0,0,1|1,0,0]=3 3659 B21R3.21587 Nc1cc(ncn1)SCCc2c[nH]c3c2cccn3 62a_100000701291_100009895007 [0,1,0,0,0,1|2,0,0]=4 3660 B21R3.21587 Nc1cccc(c1)COCc2csc3c2cccc3 34a_100000211919_200000742921 [0,1,0,0,0,1|2,0,0]=4 3661 B21R3.21587 Nc1cccc(c1)OCCc2c[nH]c3c2cccc3 34a_100000210217_100011218569 [0,1,0,0,0,1|1,0,0]=3 3662 B21R3.21587 Nc1cccc(c1)SCCc2c[nH]c3c2cccc3 62a_100000210019_100011218569 [0,1,0,0,0,1|1,0,0]=3 3663 B21R3.21587 Nc1cccc(c1)SCCc2c[nH]c3c2cccn3 62a_100000210019_100009895007 [0,1,0,0,0,1|2,0,0]=4 3664 B21R3.21587 Nc1cccc(n1)SCCc2c[nH]c3c2cccc3 62a_100000740741_100011218569 [0,1,0,0,0,1|2,0,0]=4 3665 B21R3.21587 Nc1ccnc(c1)SCCc2c[nH]c3c2cccc3 62a_100009814236_100011218569 [0,1,0,0,0,1|2,0,0]=4 3666 B21R3.21587 Nc1cncc(c1)OCCc2c[nH]c3c2cccc3 34a_100011997051_100011218569 [0,1,0,0,0,1|2,0,0]=4 3667 B21R3.21587 Nc1cncc(c1)SCCc2c[nH]c3c2cccc3 62a_100000687067_100011218569 [0,1,0,0,0,1|2,0,0]=4 3668 B21R3.21587 Nc1nccc(n1)NCCc2c[nH]c3c2cccc3 27a_100000211132_100000055538 [0,1,0,0,0,1|1,0,0]=3 3669 B21R3.21587 Nc1nccc(n1)NCCc2coc3c2cccc3 27a_100011934666_100000055538 [0,1,0,0,0,1|2,0,0]=4 3670 B21R3.21587 Nc1nccc(n1)SCCc2c[nH]c3c2cccc3 62a_100000055538_100011218569 [0,1,0,0,0,1|1,0,0]=3 3671 B21R3.21587 Nc1nccc(n1)SCCc2c[nH]c3c2cccn3 62a_100000055538_100009895007 [0,1,0,0,0,1|2,0,0]=4 3672 B21R3.21587 Nc1ncnc(n1)NCCc2c[nH]c3c2cccc3 27a_100000211132_100000123831 [0,1,0,0,0,1|2,0,0]=4 3673 B21R3.21587 Nc1ncnc(n1)SCCc2c[nH]c3c2cccc3 62a_100000123831_100011218569 [0,1,0,0,0,1|2,0,0]=4 3674 B21R3.21587 O=c1cc(cc[nH]1)NCCc2c[nH]c3c2cccc3 27a_100000211132_100000061649 [0,1,0,0,0,1|0,0,1]=3 3675 B21R3.21587 O=c1cc(cc[nH]1)NCCc2coc3c2cccc3 27a_100011934666_100000061649 [0,1,0,0,0,1|1,0,1]=4 3676 B21R3.21587 O=c1cc(cc[nH]1)OCCc2c[nH]c3c2cccc3 34a_100000032262_100011218569 [0,1,0,0,0,1|0,0,1]=3 3677 B21R3.21587 O=c1cc(cc[nH]1)SCCc2c[nH]c3c2cccc3 62a_100009816521_100011218569 [0,1,0,0,0,1|0,0,1]=3 3678 B21R3.21587 O=c1cc(cc[nH]1)SCCc2c[nH]c3c2cccn3 62a_100009816521_100009895007 [0,1,0,0,0,1|1,0,1]=4 3679 B21R3.21587 O=c1cc(nc[nH]1)SCCc2c[nH]c3c2cccc3 62a_100012002517_100011218569 [0,1,0,0,0,1|1,0,1]=4 3680 B21R3.21587 O=c1cc[nH]c(c1)SCCc2c[nH]c3c2cccc3 62a_100009817434_100011218569 [0,1,0,0,0,1|2,0,0]=4 3681 B21R3.21587 O=c1cccc([nH]1)OCCc2c[nH]c3c2cccc3 34a_100000033347_100011218569 [0,1,0,0,0,1|2,0,0]=4 3682 B21R3.21587 O=c1nc(cc[nH]1)NCCc2c[nH]c3c2cccc3 27a_100000211132_200000134032 [0,1,0,0,0,1|1,0,1]=4 3683 B21R3.21587 Oc1cc(ccn1)CNCc2[nH]nc3c2cccc3 207a_100011642502_100000688113 [0,1,0,0,0,1|1,0,1]=4 3684 B21R3.21587 Oc1cc(ccn1)CNCc2cnc3n2cccc3 207a_100015187830_100000688113 [0,1,0,0,0,1|1,0,1]=4 3685 B21R3.21587 Oc1cc(ccn1)CNCc2csc3c2cccc3 207a_100000744611_100000688113 [0,1,0,0,0,1|1,0,0]=3 3686 B21R3.21587 Oc1cc(ncn1)NCCc2c[nH]c3c2cccc3 27a_100000211132_100000765262 [0,1,0,0,0,1|1,0,0]=3 3687 B21R3.21587 Oc1cc(ncn1)NCCc2coc3c2cccc3 27a_100011934666_100000765262 [0,1,0,0,0,1|2,0,0]=4 3688 B21R3.21587 Oc1cccc(c1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100000188321 [0,1,0,0,0,1|1,0,0]=3 3689 B21R3.21587 Oc1cccc(c1)CNCc2c[nH]c3c2ccnc3 270004a_100000743036_100000087688 [0,1,0,0,0,1|2,0,0]=4 3690 B21R3.21587 Oc1cccc(c1)CNCc2coc3c2cccc3 207a_100000743036_100000688544 [0,1,0,0,0,1|2,0,0]=4 3691 B21R3.21587 Oc1cccc(c1)CNCc2coc3c2cccc3 270004a_100000743036_100000688544 [0,1,0,0,0,1|2,0,0]=4 3692 B21R3.21587 Oc1cccc(c1)CNCc2csc3c2cccc3 207a_100000743036_100000239721 [0,1,0,0,0,1|2,0,0]=4 3693 B21R3.21587 Oc1cccc(c1)CNCc2csc3c2cccc3 207a_100000744611_100000188321 [0,1,0,0,0,1|2,0,0]=4 3694 B21R3.21587 Oc1cccc(c1)CNCc2csc3c2cccc3 2230a_100000743036_200000742921 [0,1,0,0,0,1|2,0,0]=4 3695 B21R3.21587 Oc1cccc(c1)CNCc2csc3c2cccc3 270004a_100000743036_100000239721 [0,1,0,0,0,1|2,0,0]=4 3696 B21R3.21587 Oc1cccc(c1)CNCc2csc3c2cccc3 270004a_100000744611_100000188321 [0,1,0,0,0,1|2,0,0]=4 3697 B21R3.21587 Oc1cccc(c1)CNCc2csc3c2cccc3 34a_100000743036_200000742921 [0,1,0,0,0,1|2,0,0]=4 3698 B21R3.21587 Oc1cccc(c1)CNCc2csc3c2cccc3 34a_100000744611_100011660834 [0,1,0,0,0,1|2,0,0]=4 3699 B21R3.21587 Oc1cccc(c1)CNCc2n[nH]c3c2cccc3 207a_100000743036_100000059708 [0,1,0,0,0,1|2,0,0]=4 3700 B21R3.21587 Oc1cccc(c1)CNCc2n[nH]c3c2cccc3 270004a_100000743036_100000059708 [0,1,0,0,0,1|2,0,0]=4 3701 B21R3.21587 Oc1cccc(c1)COCc2csc3c2cccc3 34a_100011219454_100011660834 [0,1,0,0,0,1|2,0,0]=4 3702 B21R3.21587 Oc1cccc(c1)CSCc2csc3c2cccc3 62a_100011660834_200000742921 [0,1,0,0,0,1|2,0,0]=4 3703 B21R3.21587 Oc1cccc(c1)CSCc2csc3c2cccc3 62a_200000742921_100011660834 [0,1,0,0,0,1|2,0,0]=4 3704 B21R3.21587 Oc1cccc(c1)NCCc2c[nH]c3c2cccc3 34a_100000210217_100011218569 [0,1,0,0,0,1|1,0,0]=3 3705 B21R3.21587 Oc1cncc(c1)CNCc2c[nH]c3c2cccc3 270004a_100015202335_100012187055 [0,1,0,0,0,1|2,0,0]=4 3706 B21R3.21587 Oc1cncc(c1)SCCc2c[nH]c3c2cccc3 62a_100000754920_100011218569 [0,1,0,0,0,1|2,0,0]=4 3707 B21R3.21587 [O-][n+]1cccc(c1)OCCc2c[nH]c3c2cccc3 34a_100000039713_100011218569 [0,1,0,0,0,1|2,0,0]=4 3708 B21R3.21587 [O-][n+]1cccc(c1)OCCc2c[nH]c3c2cccc3 7a_100000039713_100011218569 [0,1,0,0,0,1|2,0,0]=4 3709 B21R3.21587 [S]c1cccc(c1)SCCc2c[nH]c3c2cccc3 62a_114929384022_100011218569 [0,1,0,0,0,1|1,0,0]=3 3710 B21R3.21587 [S]c1cccc(c1)SCCc2c[nH]c3c2cccn3 62a_114929384022_100009895007 [0,1,0,0,0,1|2,0,0]=4 3711 B21R3.24497 CC(Cc1ccccc1)Oc2csc3c2cccc3 34a_100000077758_200011218536 [0,1,0,0,0,1|2,0,0]=4 3712 B21R3.24497 CC(Cc1ccccc1)Oc2csc3c2cccc3 7a_100000077758_200011218536 [0,1,0,0,0,1|2,0,0]=4 3713 B21R3.24497 CC(Cc1ccccc1)Sc2c[nH]c3c2cccn3 62a_200011218536_100011934613 [0,1,0,0,0,1|2,0,0]=4 3714 B21R3.24497 CC(Cc1ccccc1)Sc2c[nH]c3c2ccnc3 62a_200011218536_100010232032 [0,1,0,0,0,1|2,0,0]=4 3715 B21R3.24497 CC(Cc1ccccc1)Sc2c[nH]c3c2cncc3 62a_200011218536_100000753697 [0,1,0,0,0,1|2,0,0]=4 3716 B21R3.24497 CC(Cc1ccccc1)Sc2c[nH]c3c2nccc3 62a_200011218536_100009817151 [0,1,0,0,0,1|2,0,0]=4 3717 B21R3.24497 CC(Cc1ccccc1)Sc2coc3c2cccc3 62a_200011218536_100009812202 [0,1,0,0,0,1|2,0,0]=4 3718 B21R3.24497 CC(Cc1ccccc1)Sc2csc3c2cccc3 62a_200011218536_100009813928 [0,1,0,0,0,1|2,0,0]=4 3719 B21R3.24497 CC(Cc1ccccc1)Sc2n[nH]c3c2cccc3 62a_200011218536_100000050141 [0,1,0,0,0,1|2,0,0]=4 3720 B21R3.24497 CN(Cc1ccccc1)Cc2c[nH]c3c2ccnc3 270004a_100000186898_100000087688 [0,1,0,0,0,1|2,0,0]=4 3721 B21R3.24497 CN(Cc1ccccc1)Cc2coc3c2cccc3 270004a_100000186898_100000688544 [0,1,0,0,0,1|2,0,0]=4 3722 B21R3.24497 CN(Cc1ccccc1)Cc2csc3c2cccc3 2230a_100000186898_200000742921 [0,1,0,0,0,1|2,0,0]=4 3723 B21R3.24497 CN(Cc1ccccc1)Cc2csc3c2cccc3 269982a_100000186898_200000742921 [0,1,0,0,0,1|2,0,0]=4 3724 B21R3.24497 CN(Cc1ccccc1)Cc2csc3c2cccc3 270004a_100000186898_100000239721 [0,1,0,0,0,1|2,0,0]=4 3725 B21R3.24497 CN(Cc1ccccc1)Cc2n[nH]c3c2cccc3 270004a_100000186898_100000059708 [0,1,0,0,0,1|2,0,0]=4 3726 B21R3.24497 CN(Cc1ccncc1)Cc2c[nH]c3c2ccnc3 270004a_100000187231_100000087688 [0,1,0,0,0,1|1,0,0]=3 3727 B21R3.24497 CN(Cc1ccncc1)Cc2cnc3n2cccc3 2230a_100015184908_100015193705 [0,1,0,0,0,1|1,0,1]=4 3728 B21R3.24497 CN(Cc1ccncc1)Cc2cnc3n2cccc3 269982a_100015184908_100015193705 [0,1,0,0,0,1|1,0,1]=4 3729 B21R3.24497 CN(Cc1ccncc1)Cc2cnc3n2cccc3 270004a_100000187231_100000052358 [0,1,0,0,0,1|1,0,1]=4 3730 B21R3.24497 CN(Cc1ccncc1)Cc2cnn3c2cccc3 270004a_100000187231_100011787723 [0,1,0,0,0,1|1,0,1]=4 3731 B21R3.24497 CN(Cc1ccncc1)Cc2coc3c2cccc3 270004a_100000187231_100000688544 [0,1,0,0,0,1|1,0,0]=3 3732 B21R3.24497 CN(Cc1ccncc1)Cc2csc3c2cccc3 2230a_100000187231_200000742921 [0,1,0,0,0,1|1,0,0]=3 3733 B21R3.24497 CN(Cc1ccncc1)Cc2csc3c2cccc3 269982a_100000187231_200000742921 [0,1,0,0,0,1|1,0,0]=3 3734 B21R3.24497 CN(Cc1ccncc1)Cc2csc3c2cccc3 270004a_100000187231_100000239721 [0,1,0,0,0,1|1,0,0]=3 3735 B21R3.24497 CN(Cc1ccncc1)Cc2n[nH]c3c2cccc3 270004a_100000187231_100000059708 [0,1,0,0,0,1|1,0,0]=3 3736 B21R3.24497 O=C(Cc1c[nH]c2c1cccc2)Nc3ccccc3 11a_100000106764_100000183835 [0,1,0,0,0,1|1,0,1]=4 3737 B21R3.24497 O=C(Cc1c[nH]c2c1cccc2)Nc3ccccc3 22a_100000106764_100000183835 [0,1,0,0,0,1|1,0,1]=4 3738 B21R3.24497 O=C(Cc1c[nH]c2c1cccc2)Nc3ccccc3 527a_100000106764_100000183835 [0,1,0,0,0,1|1,0,1]=4 3739 B21R3.24497 O=C(Cc1ccccc1)Cc2c[nH]c3c2cccc3 1458a_100000183835_100015291786 [0,1,0,0,0,1|1,0,0]=3 3740 B21R3.24497 O=C(Cc1ccccc1)Cc2c[nH]c3c2cccn3 1458a_100000687015_100015291786 [0,1,0,0,0,1|2,0,0]=4 3741 B21R3.24497 O=C(Cc1ccccc1)Cc2coc3c2cccc3 1458a_100000217546_100015291786 [0,1,0,0,0,1|2,0,0]=4 3742 B21R3.24497 O=C(Cc1ccccc1)Cc2csc3c2cccc3 1458a_100000741031_100015291786 [0,1,0,0,0,1|2,0,0]=4 3743 B21R3.24497 O=C(Cc1ccccc1)Cc2n[nH]c3c2cccc3 1458a_100000044345_100015291786 [0,1,0,0,0,1|2,0,0]=4 3744 B21R3.24497 O=C(Cc1ccccn1)Cc2c[nH]c3c2cccc3 1458a_100000183835_100000721315 [0,1,0,0,0,1|2,0,0]=4 3745 B21R3.24497 O=C(Cc1cccnc1)Cc2c[nH]c3c2cccc3 1458a_100000183835_100000733263 [0,1,0,0,0,1|2,0,0]=4 3746 B21R3.24497 O=C(Cc1ccncc1)C[n+]2csc3c2cccc3 1458a_100009813389_100000705612 [0,1,0,0,0,1|2,0,0]=4 3747 B21R3.24497 O=C(Cc1ccncc1)Cc2c[nH]c3c2cccc3 1458a_100000183835_100000705612 [0,1,0,0,0,1|0,0,0]=2 3748 B21R3.24497 O=C(Cc1ccncc1)Cc2c[nH]c3c2cccn3 1458a_100000687015_100000705612 [0,1,0,0,0,1|1,0,0]=3 3749 B21R3.24497 O=C(Cc1ccncc1)Cc2cnc3n2cccc3 1458a_100000070654_100000705612 [0,1,0,0,0,1|1,0,1]=4 3750 B21R3.24497 O=C(Cc1ccncc1)Cc2coc3c2cccc3 1458a_100000217546_100000705612 [0,1,0,0,0,1|1,0,0]=3 3751 B21R3.24497 O=C(Cc1ccncc1)Cc2csc3c2cccc3 1458a_100000741031_100000705612 [0,1,0,0,0,1|1,0,0]=3 3752 B21R3.24497 O=C(Cc1ccncc1)Cc2n[nH]c3c2cccc3 1458a_100000044345_100000705612 [0,1,0,0,0,1|1,0,0]=3 3753 B21R3.24497 O=C(Cc1ccncc1)Cc2noc3c2cccc3 1458a_100000205995_100000705612 [0,1,0,0,0,1|2,0,0]=4 3754 B21R3.24497 O=C(Cc1ccncc1)Cn2ccc3c2cccc3 1458a_100000743657_100000705612 [0,1,0,0,0,1|2,0,0]=4 3755 B21R3.24497 O=C(Cc1ccncc1)Cn2cnc3c2cccc3 1458a_100025771165_100000705612 [0,1,0,0,0,1|1,0,1]=4 3756 B21R3.237380 Brc1cc2c(n[nH]c2cn1)SCCc3ccncc3 62a_100000723409_100010296430 [0,1,0,0,0,1|2,0,0]=4 3757 B21R3.237380 Brc1cc2c(n[nH]c2cn1)SCCc3ccncc3 62a_100010296430_100000723409 [0,1,0,0,0,1|2,0,0]=4 3758 B21R3.237380 Brc1ccc2[nH]cc(c2c1)C=NNc3ccncc3 4a_100000698918_100000187850 [0,1,0,0,0,1|1,0,1]=4 3759 B21R3.237380 Brc1ccc2[nH]cc(c2c1)CCNc3ccncn3 27a_100016990496_100000703185 [0,1,0,0,0,1|1,0,0]=3 3760 B21R3.237380 Brc1ccc2[nH]cc(c2n1)SCCc3ccccc3 62a_100000765856_100010168532 [0,1,0,0,0,1|2,0,0]=4 3761 B21R3.237380 Brc1ccc2[nH]cc(c2n1)SCCc3ccccc3 62a_100010168532_100011218657 [0,1,0,0,0,1|2,0,0]=4 3762 B21R3.237380 Brc1ccc2[nH]cc(c2n1)SCCc3ccncc3 62a_100000723409_100010168532 [0,1,0,0,0,1|1,0,0]=3 3763 B21R3.237380 Brc1ccc2[nH]cc(c2n1)SCCc3ccncc3 62a_100010168532_100000723409 [0,1,0,0,0,1|1,0,0]=3 3764 B21R3.237380 Brc1ccc2[nH]nc(c2c1)CNCc3ccccc3 207a_100015324214_100009888965 [0,1,0,0,0,1|2,0,0]=4 3765 B21R3.237380 Brc1ccc2[nH]nc(c2c1)CNCc3ccccc3 270004a_100015324214_100009888965 [0,1,0,0,0,1|2,0,0]=4 3766 B21R3.237380 Brc1ccc2[nH]nc(c2c1)SCCc3ccccc3 62a_100000765856_100010186058 [0,1,0,0,0,1|2,0,0]=4 3767 B21R3.237380 Brc1ccc2[nH]nc(c2c1)SCCc3ccncc3 62a_100000723409_100010186058 [0,1,0,0,0,1|1,0,0]=3 3768 B21R3.237380 Brc1ccc2[nH]nc(c2n1)SCCc3ccncc3 62a_100000723409_200010370904 [0,1,0,0,0,1|2,0,0]=4 3769 B21R3.237380 Brc1ccc2ncc(n2c1)SCCc3ccncc3 62a_100000723409_100012343615 [0,1,0,0,0,1|1,0,1]=4 3770 B21R3.237380 Brc1ccc2ncc(n2c1)SCCc3ccncc3 62a_100012343615_100000723409 [0,1,0,0,0,1|1,0,1]=4 3771 B21R3.237380 Brc1ccc2scc(c2c1)CCNc3ccncn3 27a_100016989105_100000703185 [0,1,0,0,0,1|2,0,0]=4 3772 B21R3.237380 Brc1ccc2scc(c2c1)CNCc3ccccc3 207a_100015324214_100009814807 [0,1,0,0,0,1|2,0,0]=4 3773 B21R3.237380 Brc1ccc2scc(c2c1)CNCc3ccccc3 270004a_100015324214_100009814807 [0,1,0,0,0,1|2,0,0]=4 3774 B21R3.237380 Brc1ccn2ncc(c2c1)SCCc3ccncc3 62a_100000723409_100015721393 [0,1,0,0,0,1|1,0,1]=4 3775 B21R3.237380 Brc1ccn2ncc(c2c1)SCCc3ccncc3 62a_100015721393_100000723409 [0,1,0,0,0,1|1,0,1]=4 3776 B21R3.237380 Brc1cnc2[nH]cc(c2c1)SCCc3ccccc3 62a_100000765856_100011290788 [0,1,0,0,0,1|2,0,0]=4 3777 B21R3.237380 Brc1cnc2[nH]cc(c2c1)SCCc3ccccc3 62a_100011290788_100011218657 [0,1,0,0,0,1|2,0,0]=4 3778 B21R3.237380 Brc1cnc2[nH]cc(c2c1)SCCc3ccncc3 62a_100000723409_100011290788 [0,1,0,0,0,1|1,0,0]=3 3779 B21R3.237380 Brc1cnc2[nH]cc(c2c1)SCCc3ccncc3 62a_100011290788_100000723409 [0,1,0,0,0,1|1,0,0]=3 3780 B21R3.237380 Brc1cnc2[nH]cc(c2n1)SCCc3ccncc3 62a_100000723409_100010212349 [0,1,0,0,0,1|2,0,0]=4 3781 B21R3.237380 Brc1cnc2[nH]cc(c2n1)SCCc3ccncc3 62a_100010212349_100000723409 [0,1,0,0,0,1|2,0,0]=4 3782 B21R3.237380 Brc1cnc2[nH]nc(c2c1)SCCc3ccncc3 62a_100000723409_100010212350 [0,1,0,0,0,1|2,0,0]=4 3783 B21R3.237380 Brc1cnc2[nH]nc(c2c1)SCCc3ccncc3 62a_100010212350_100000723409 [0,1,0,0,0,1|2,0,0]=4 3784 B21R3.237380 Cc1ccc2[nH]cc(c2c1)C=NNc3ccncc3 4a_100000698918_100000757390 [0,1,0,0,0,1|1,0,1]=4 3785 B21R3.237380 Cc1ccc2[nH]cc(c2c1)CCNc3ccncn3 27a_100000008874_100000703185 [0,1,0,0,0,1|1,0,0]=3 3786 B21R3.237380 Cc1ccc2[nH]cc(c2n1)SCCc3ccccc3 62a_100000765856_100010212567 [0,1,0,0,0,1|2,0,0]=4 3787 B21R3.237380 Cc1ccc2[nH]cc(c2n1)SCCc3ccncc3 62a_100000723409_100010212567 [0,1,0,0,0,1|1,0,0]=3 3788 B21R3.237380 Cc1ccc2[nH]nc(c2c1)CNCc3ccccc3 207a_100015324214_100000050950 [0,1,0,0,0,1|2,0,0]=4 3789 B21R3.237380 Cc1ccc2[nH]nc(c2c1)CNCc3ccccc3 270004a_100015324214_100000050950 [0,1,0,0,0,1|2,0,0]=4 3790 B21R3.237380 Cc1ccc2[nH]nc(c2c1)SCCc3ccccc3 62a_100000765856_100000123028 [0,1,0,0,0,1|2,0,0]=4 3791 B21R3.237380 Cc1ccc2[nH]nc(c2c1)SCCc3ccncc3 62a_100000723409_100000123028 [0,1,0,0,0,1|1,0,0]=3 3792 B21R3.237380 Cc1ccc2ncc(n2c1)SCCc3ccncc3 62a_100000723409_100012351729 [0,1,0,0,0,1|1,0,1]=4 3793 B21R3.237380 Cc1cnc2[nH]cc(c2c1)SCCc3ccccc3 62a_100000765856_100010246215 [0,1,0,0,0,1|2,0,0]=4 3794 B21R3.237380 Cc1cnc2[nH]cc(c2c1)SCCc3ccncc3 62a_100000723409_100010246215 [0,1,0,0,0,1|1,0,0]=3 3795 B21R3.237380 Clc1cc2c(c[nH]c2cn1)SCCc3ccccc3 62a_100000765856_100010168685 [0,1,0,0,0,1|2,0,0]=4 3796 B21R3.237380 Clc1cc2c(c[nH]c2cn1)SCCc3ccncc3 62a_100000723409_100010168685 [0,1,0,0,0,1|1,0,0]=3 3797 B21R3.237380 Clc1cc2c(c[nH]c2nn1)SCCc3ccncc3 62a_100000723409_100161115472 [0,1,0,0,0,1|2,0,0]=4 3798 B21R3.237380 Clc1cc2c(n[nH]c2cn1)SCCc3ccncc3 62a_100000723409_100010134363 [0,1,0,0,0,1|2,0,0]=4 3799 B21R3.237380 Clc1ccc2[nH]cc(c2c1)C=NNc3ccncc3 4a_100000698918_100011218521 [0,1,0,0,0,1|1,0,1]=4 3800 B21R3.237380 Clc1ccc2[nH]cc(c2c1)CCNc3ccncn3 27a_100000763428_100000703185 [0,1,0,0,0,1|1,0,0]=3 3801 B21R3.237380 Clc1ccc2[nH]cc(c2n1)SCCc3ccccc3 62a_100000765856_100010168529 [0,1,0,0,0,1|2,0,0]=4 3802 B21R3.237380 Clc1ccc2[nH]cc(c2n1)SCCc3ccncc3 62a_100000723409_100010168529 [0,1,0,0,0,1|1,0,0]=3 3803 B21R3.237380 Clc1ccc2[nH]nc(c2c1)CNCc3ccccc3 207a_100015324214_100000086617 [0,1,0,0,0,1|2,0,0]=4 3804 B21R3.237380 Clc1ccc2[nH]nc(c2c1)CNCc3ccccc3 270004a_100015324214_100000086617 [0,1,0,0,0,1|2,0,0]=4 3805 B21R3.237380 Clc1ccc2[nH]nc(c2c1)SCCc3ccccc3 62a_100000765856_100010174404 [0,1,0,0,0,1|2,0,0]=4 3806 B21R3.237380 Clc1ccc2[nH]nc(c2c1)SCCc3ccncc3 62a_100000723409_100010174404 [0,1,0,0,0,1|1,0,0]=3 3807 B21R3.237380 Clc1ccc2[nH]nc(c2n1)SCCc3ccncc3 62a_100000723409_100102525187 [0,1,0,0,0,1|2,0,0]=4 3808 B21R3.237380 Clc1ccc2ncc(n2c1)SCCc3ccncc3 62a_100000723409_200012351726 [0,1,0,0,0,1|1,0,1]=4 3809 B21R3.237380 Clc1ccc2ncc(n2c1)SCCc3ccncc3 62a_200012351726_100000723409 [0,1,0,0,0,1|1,0,1]=4 3810 B21R3.237380 Clc1ccc2scc(c2c1)CNCc3ccccc3 207a_100015324214_100000040578 [0,1,0,0,0,1|2,0,0]=4 3811 B21R3.237380 Clc1ccc2scc(c2c1)CNCc3ccccc3 2230a_100015324214_100009814428 [0,1,0,0,0,1|2,0,0]=4 3812 B21R3.237380 Clc1ccc2scc(c2c1)CNCc3ccccc3 270004a_100015324214_100000040578 [0,1,0,0,0,1|2,0,0]=4 3813 B21R3.237380 Clc1ccc2scc(c2c1)CNCc3ccccc3 34a_100015324214_100009814428 [0,1,0,0,0,1|2,0,0]=4 3814 B21R3.237380 Clc1ccc2scc(c2c1)COCc3ccccc3 34a_100000210790_100009814428 [0,1,0,0,0,1|2,0,0]=4 3815 B21R3.237380 Clc1ccc2scc(c2c1)COCc3ccccc3 34a_200000043707_100015291786 [0,1,0,0,0,1|2,0,0]=4 3816 B21R3.237380 Clc1ccc2scc(c2c1)COCc3ccccc3 7a_100000210790_100009814428 [0,1,0,0,0,1|2,0,0]=4 3817 B21R3.237380 Clc1ccc2scc(c2c1)COCc3ccccc3 7a_200000043707_100000211182 [0,1,0,0,0,1|2,0,0]=4 3818 B21R3.237380 Clc1ccc2scc(c2c1)COCc3ccncc3 7a_200000043707_100015193705 [0,1,0,0,0,1|1,0,0]=3 3819 B21R3.237380 Clc1ccc2scc(c2c1)CSCc3ccccc3 62a_100000211182_100009814428 [0,1,0,0,0,1|2,0,0]=4 3820 B21R3.237380 Clc1ccc2scc(c2c1)CSCc3ccccc3 62a_100009814428_100015291786 [0,1,0,0,0,1|2,0,0]=4 3821 B21R3.237380 Clc1ccc2scc(c2c1)CSCc3ccncc3 62a_100009814428_100015193705 [0,1,0,0,0,1|1,0,0]=3 3822 B21R3.237380 Clc1ccc2scc(c2c1)CSCc3ccncc3 62a_100015193705_100009814428 [0,1,0,0,0,1|1,0,0]=3 3823 B21R3.237380 Clc1cnc2[nH]cc(c2c1)SCCc3ccccc3 62a_100000765856_100000050100 [0,1,0,0,0,1|2,0,0]=4 3824 B21R3.237380 Clc1cnc2[nH]cc(c2c1)SCCc3ccncc3 62a_100000723409_100000050100 [0,1,0,0,0,1|1,0,0]=3 3825 B21R3.237380 Clc1cnc2[nH]nc(c2c1)SCCc3ccncc3 62a_100000723409_100010289580 [0,1,0,0,0,1|2,0,0]=4 3826 B21R3.237380 Fc1ccc2[nH]cc(c2c1)C=NNc3ccncc3 4a_100000698918_100000747633 [0,1,0,0,0,1|1,0,1]=4 3827 B21R3.237380 Fc1ccc2[nH]cc(c2c1)CCNc3ccncn3 27a_100000725365_100000703185 [0,1,0,0,0,1|1,0,0]=3 3828 B21R3.237380 Fc1ccc2[nH]nc(c2c1)CNCc3ccccc3 207a_100015324214_100000084349 [0,1,0,0,0,1|2,0,0]=4 3829 B21R3.237380 Fc1ccc2[nH]nc(c2c1)CNCc3ccccc3 270004a_100015324214_100000084349 [0,1,0,0,0,1|2,0,0]=4 3830 B21R3.237380 Fc1ccc2[nH]nc(c2c1)SCCc3ccccc3 62a_100000765856_100011934747 [0,1,0,0,0,1|2,0,0]=4 3831 B21R3.237380 Fc1ccc2[nH]nc(c2c1)SCCc3ccncc3 62a_100000723409_100011934747 [0,1,0,0,0,1|1,0,0]=3 3832 B21R3.237380 Fc1ccc2ncc(n2c1)SCCc3ccncc3 62a_100000723409_100012350704 [0,1,0,0,0,1|1,0,1]=4 3833 B21R3.237380 Fc1ccc2ncc(n2c1)SCCc3ccncc3 62a_100012350704_100000723409 [0,1,0,0,0,1|1,0,1]=4 3834 B21R3.237380 Fc1ccc2scc(c2c1)CNCc3ccccc3 2230a_100015324214_100010109839 [0,1,0,0,0,1|2,0,0]=4 3835 B21R3.237380 Fc1ccc2scc(c2c1)CNCc3ccccc3 34a_100015324214_100010109839 [0,1,0,0,0,1|2,0,0]=4 3836 B21R3.237380 Fc1ccc2scc(c2c1)COCc3ccccc3 34a_100000210790_100010109839 [0,1,0,0,0,1|2,0,0]=4 3837 B21R3.237380 Fc1ccc2scc(c2c1)COCc3ccccc3 7a_100000210790_100010109839 [0,1,0,0,0,1|2,0,0]=4 3838 B21R3.237380 Fc1ccc2scc(c2c1)CSCc3ccccc3 62a_100000211182_100010109839 [0,1,0,0,0,1|2,0,0]=4 3839 B21R3.237380 Fc1ccc2scc(c2c1)CSCc3ccccc3 62a_100010109839_100015291786 [0,1,0,0,0,1|2,0,0]=4 3840 B21R3.237380 Fc1ccc2scc(c2c1)CSCc3ccncc3 62a_100010109839_100015193705 [0,1,0,0,0,1|1,0,0]=3 3841 B21R3.237380 Fc1ccc2scc(c2c1)CSCc3ccncc3 62a_100015193705_100010109839 [0,1,0,0,0,1|1,0,0]=3 3842 B21R3.237380 Fc1cnc2[nH]cc(c2c1)SCCc3ccccc3 62a_100000765856_100010168383 [0,1,0,0,0,1|2,0,0]=4 3843 B21R3.237380 Fc1cnc2[nH]cc(c2c1)SCCc3ccncc3 62a_100000723409_100010168383 [0,1,0,0,0,1|1,0,0]=3 3844 B21R3.237380 Fc1cnc2[nH]nc(c2c1)SCCc3ccncc3 62a_100000723409_100010289577 [0,1,0,0,0,1|2,0,0]=4 3845 B21R3.237380 Ic1ccc2[nH]cc(c2c1)C=NNc3ccncc3 4a_100000698918_100010871809 [0,1,0,0,0,1|1,0,1]=4 3846 B21R3.237380 Nc1ccc2[nH]nc(c2c1)SCCc3ccccc3 62a_100000765856_100012353729 [0,1,0,0,0,1|2,0,0]=4 3847 B21R3.237380 Nc1ccc2[nH]nc(c2c1)SCCc3ccncc3 62a_100000723409_100012353729 [0,1,0,0,0,1|1,0,0]=3 3848 B21R3.237380 Nc1ccc2ncc(n2c1)SCCc3ccncc3 62a_100000723409_102495324787 [0,1,0,0,0,1|1,0,1]=4 3849 B21R3.237380 Nc1ccc2ncc(n2c1)SCCc3ccncc3 62a_102495324787_100000723409 [0,1,0,0,0,1|1,0,1]=4 3850 B21R3.237380 Nc1ccc2scc(c2c1)SCCc3ccccc3 62a_100000765856_100011178648 [0,1,0,0,0,1|2,0,0]=4 3851 B21R3.237380 Nc1ccc2scc(c2c1)SCCc3ccccc3 62a_100011178648_100011218657 [0,1,0,0,0,1|2,0,0]=4 3852 B21R3.237380 Nc1ccc2scc(c2c1)SCCc3ccncc3 62a_100000723409_100011178648 [0,1,0,0,0,1|1,0,0]=3 3853 B21R3.237380 Nc1ccc2scc(c2c1)SCCc3ccncc3 62a_100011178648_100000723409 [0,1,0,0,0,1|1,0,0]=3 3854 B21R3.237380 Nc1cnc2[nH]cc(c2c1)SCCc3ccccc3 62a_100000765856_100010168510 [0,1,0,0,0,1|2,0,0]=4 3855 B21R3.237380 Nc1cnc2[nH]cc(c2c1)SCCc3ccncc3 62a_100000723409_100010168510 [0,1,0,0,0,1|1,0,0]=3 3856 B21R3.237380 Nc1cnc2[nH]nc(c2c1)SCCc3ccncc3 62a_100000723409_100010174952 [0,1,0,0,0,1|2,0,0]=4 3857 B21R3.237380 Oc1ccc2[nH]cc(c2c1)C=NNc3ccncc3 4a_100000698918_100000059740 [0,1,0,0,0,1|1,0,1]=4 3858 B21R3.237380 Oc1ccc2[nH]cc(c2c1)CCNc3ccncn3 27a_100000009091_100000703185 [0,1,0,0,0,1|1,0,0]=3 3859 B21R3.397206 Brc1cccc2c1[nH]cc2C=NNc3ccncc3 4a_100000698918_100009814786 [0,1,0,0,0,1|1,0,1]=4 3860 B21R3.397206 Brc1cccc2c1[nH]cc2CNCc3ccccc3 270004a_100015324214_100009814786 [0,1,0,0,0,1|1,0,0]=3 3861 B21R3.397206 Brc1cccc2c1[nH]cc2CNCc3ccccn3 270004a_100000210449_100009814786 [0,1,0,0,0,1|2,0,0]=4 3862 B21R3.397206 Brc1cccc2c1[nH]cc2CNCc3cccnc3 270004a_100000210453_100009814786 [0,1,0,0,0,1|2,0,0]=4 3863 B21R3.397206 Brc1cccc2c1[nH]nc2CNCc3ccccc3 207a_100015324214_100009814788 [0,1,0,0,0,1|2,0,0]=4 3864 B21R3.397206 Brc1cccc2c1[nH]nc2CNCc3ccccc3 270004a_100015324214_100009814788 [0,1,0,0,0,1|2,0,0]=4 3865 B21R3.397206 Brc1cccc2c1[nH]nc2SCCc3ccccc3 62a_100000765856_100010197283 [0,1,0,0,0,1|2,0,0]=4 3866 B21R3.397206 Brc1cccc2c1[nH]nc2SCCc3ccncc3 62a_100000723409_100010197283 [0,1,0,0,0,1|1,0,0]=3 3867 B21R3.397206 Brc1cccn2c1ncc2SCCc3ccncc3 62a_100000723409_100013004016 [0,1,0,0,0,1|1,0,1]=4 3868 B21R3.397206 Brc1cccn2c1ncc2SCCc3ccncc3 62a_100013004016_100000723409 [0,1,0,0,0,1|1,0,1]=4 3869 B21R3.397206 Cc1cccc2c1[nH]cc2C=NNc3ccncc3 4a_100000698918_100000040139 [0,1,0,0,0,1|1,0,1]=4 3870 B21R3.397206 Cc1cccc2c1[nH]cc2CCNc3ccncn3 27a_100015184521_100000703185 [0,1,0,0,0,1|1,0,0]=3 3871 B21R3.397206 Cc1cccc2c1[nH]cc2CNCc3ccccc3 270004a_100015324214_100000040139 [0,1,0,0,0,1|1,0,0]=3 3872 B21R3.397206 Cc1cccc2c1[nH]cc2CNCc3ccccn3 270004a_100000210449_100000040139 [0,1,0,0,0,1|2,0,0]=4 3873 B21R3.397206 Cc1cccc2c1[nH]cc2CNCc3cccnc3 270004a_100000210453_100000040139 [0,1,0,0,0,1|2,0,0]=4 3874 B21R3.397206 Cc1cccc2c1[nH]nc2CNCc3ccccc3 207a_100015324214_100000050344 [0,1,0,0,0,1|2,0,0]=4 3875 B21R3.397206 Cc1cccc2c1[nH]nc2CNCc3ccccc3 270004a_100015324214_100000050344 [0,1,0,0,0,1|2,0,0]=4 3876 B21R3.397206 Cc1cccc2c1[nH]nc2SCCc3ccccc3 62a_100000765856_100010186057 [0,1,0,0,0,1|2,0,0]=4 3877 B21R3.397206 Cc1cccc2c1[nH]nc2SCCc3ccncc3 62a_100000723409_100010186057 [0,1,0,0,0,1|1,0,0]=3 3878 B21R3.397206 Cc1cccn2c1ncc2SCCc3ccncc3 62a_100000723409_100012351083 [0,1,0,0,0,1|1,0,1]=4 3879 B21R3.397206 Clc1cccc2c1[nH]cc2C=NNc3ccncc3 4a_100000698918_100011361501 [0,1,0,0,0,1|1,0,1]=4 3880 B21R3.397206 Clc1cccc2c1[nH]cc2CNCc3ccccc3 270004a_100015324214_100011361501 [0,1,0,0,0,1|1,0,0]=3 3881 B21R3.397206 Clc1cccc2c1[nH]cc2CNCc3ccccn3 270004a_100000210449_100011361501 [0,1,0,0,0,1|2,0,0]=4 3882 B21R3.397206 Clc1cccc2c1[nH]cc2CNCc3cccnc3 270004a_100000210453_100011361501 [0,1,0,0,0,1|2,0,0]=4 3883 B21R3.397206 Clc1cccc2c1[nH]nc2SCCc3ccccc3 62a_100000765856_100000050086 [0,1,0,0,0,1|2,0,0]=4 3884 B21R3.397206 Clc1cccc2c1[nH]nc2SCCc3ccncc3 62a_100000723409_100000050086 [0,1,0,0,0,1|1,0,0]=3 3885 B21R3.397206 Clc1cccn2c1ncc2SCCc3ccncc3 62a_100000723409_100010025871 [0,1,0,0,0,1|1,0,1]=4 3886 B21R3.397206 Clc1ccnc2c1[nH]cc2SCCc3ccccc3 62a_100000765856_100010168581 [0,1,0,0,0,1|2,0,0]=4 3887 B21R3.397206 Clc1ccnc2c1[nH]cc2SCCc3ccncc3 62a_100000723409_100010168581 [0,1,0,0,0,1|1,0,0]=3 3888 B21R3.397206 Clc1nccc2c1[nH]nc2SCCc3ccncc3 62a_100000723409_100010009562 [0,1,0,0,0,1|2,0,0]=4 3889 B21R3.397206 Clc1ncnc2c1[nH]cc2SCCc3ccncc3 62a_100000723409_100010988924 [0,1,0,0,0,1|2,0,0]=4 3890 B21R3.397206 Fc1cccc2c1[nH]nc2SCCc3ccccc3 62a_100000765856_100010231504 [0,1,0,0,0,1|2,0,0]=4 3891 B21R3.397206 Fc1cccc2c1[nH]nc2SCCc3ccncc3 62a_100000723409_100010231504 [0,1,0,0,0,1|1,0,0]=3 3892 B21R3.397206 Fc1cccn2c1ncc2SCCc3ccncc3 62a_100000723409_100009817165 [0,1,0,0,0,1|1,0,1]=4 3893 B21R3.397206 Fc1cccn2c1ncc2SCCc3ccncc3 62a_100009817165_100000723409 [0,1,0,0,0,1|1,0,1]=4 3894 B21R3.397206 Nc1cccc2c1[nH]nc2SCCc3ccccc3 62a_100000765856_100009888981 [0,1,0,0,0,1|2,0,0]=4 3895 B21R3.397206 Nc1cccc2c1[nH]nc2SCCc3ccncc3 62a_100000723409_100009888981 [0,1,0,0,0,1|1,0,0]=3 3896 B21R3.397206 O=c1[nH]cnc2c1[nH]cc2SCCc3ccncc3 62a_100000723409_200010089858 [0,1,0,0,0,1|2,0,0]=4 3897 B21R3.397206 Oc1cccc2c1[nH]nc2SCCc3ccccc3 62a_100000765856_200010988877 [0,1,0,0,0,1|2,0,0]=4 3898 B21R3.397206 Oc1cccc2c1[nH]nc2SCCc3ccncc3 62a_100000723409_200010988877 [0,1,0,0,0,1|1,0,0]=3 3899 B21R3.397206 Oc1cccn2c1ncc2SCCc3ccncc3 62a_100000723409_200020799507 [0,1,0,0,0,1|1,0,1]=4 3900 B21R3.398561 Brc1cccc2c1c(c[nH]2)C=NNc3ccncc3 4a_100000698918_100000693042 [0,1,0,0,0,1|1,0,1]=4 3901 B21R3.398561 Brc1cccc2c1c(n[nH]2)SCCc3ccccc3 62a_100000765856_100010186043 [0,1,0,0,0,1|2,0,0]=4 3902 B21R3.398561 Brc1cccc2c1c(n[nH]2)SCCc3ccncc3 62a_100000723409_100010186043 [0,1,0,0,0,1|1,0,0]=3 3903 B21R3.398561 Brc1ccnc2c1c(c[nH]2)SCCc3ccccc3 62a_100000765856_100010212587 [0,1,0,0,0,1|2,0,0]=4 3904 B21R3.398561 Brc1ccnc2c1c(c[nH]2)SCCc3ccccc3 62a_100010212587_100011218657 [0,1,0,0,0,1|2,0,0]=4 3905 B21R3.398561 Brc1ccnc2c1c(c[nH]2)SCCc3ccncc3 62a_100000723409_100010212587 [0,1,0,0,0,1|1,0,0]=3 3906 B21R3.398561 Brc1ccnc2c1c(c[nH]2)SCCc3ccncc3 62a_100010212587_100000723409 [0,1,0,0,0,1|1,0,0]=3 3907 B21R3.398561 Brc1nccc2c1c(n[nH]2)SCCc3ccncc3 62a_100000723409_100010370910 [0,1,0,0,0,1|2,0,0]=4 3908 B21R3.398561 Brc1nccc2c1c(n[nH]2)SCCc3ccncc3 62a_100010370910_100000723409 [0,1,0,0,0,1|2,0,0]=4 3909 B21R3.398561 Cc1cccc2c1c(c[nH]2)C=NNc3ccncc3 4a_100000698918_100000743823 [0,1,0,0,0,1|1,0,1]=4 3910 B21R3.398561 Cc1cccc2c1c(n[nH]2)SCCc3ccccc3 62a_100000765856_100000049903 [0,1,0,0,0,1|2,0,0]=4 3911 B21R3.398561 Cc1cccc2c1c(n[nH]2)SCCc3ccncc3 62a_100000723409_100000049903 [0,1,0,0,0,1|1,0,0]=3 3912 B21R3.398561 Cc1cccc2n1c(cn2)SCCc3ccncc3 62a_100000723409_100012566946 [0,1,0,0,0,1|1,0,1]=4 3913 B21R3.398561 Clc1cccc2c1c(c[nH]2)C=NNc3ccncc3 4a_100000698918_100011934431 [0,1,0,0,0,1|1,0,1]=4 3914 B21R3.398561 Clc1cccc2c1c(n[nH]2)SCCc3ccccc3 62a_100000765856_100000049730 [0,1,0,0,0,1|2,0,0]=4 3915 B21R3.398561 Clc1cccc2c1c(n[nH]2)SCCc3ccncc3 62a_100000723409_100000049730 [0,1,0,0,0,1|1,0,0]=3 3916 B21R3.398561 Clc1ccnc2c1c(c[nH]2)SCCc3ccccc3 62a_100000765856_100011356983 [0,1,0,0,0,1|2,0,0]=4 3917 B21R3.398561 Clc1ccnc2c1c(c[nH]2)SCCc3ccncc3 62a_100000723409_100011356983 [0,1,0,0,0,1|1,0,0]=3 3918 B21R3.398561 Clc1ccnc2c1c(n[nH]2)SCCc3ccncc3 62a_100000723409_100010090772 [0,1,0,0,0,1|2,0,0]=4 3919 B21R3.398561 Clc1nccc2c1c(n[nH]2)SCCc3ccncc3 62a_100000723409_100010080173 [0,1,0,0,0,1|2,0,0]=4 3920 B21R3.398561 Clc1ncnc2c1c(c[nH]2)SCCc3ccncc3 62a_100000723409_100000062014 [0,1,0,0,0,1|2,0,0]=4 3921 B21R3.398561 Fc1cccc2c1c(c[nH]2)C=NNc3ccncc3 4a_100000698918_100000684713 [0,1,0,0,0,1|1,0,1]=4 3922 B21R3.398561 Fc1cccc2c1c(n[nH]2)SCCc3ccccc3 62a_100000765856_100000049989 [0,1,0,0,0,1|2,0,0]=4 3923 B21R3.398561 Fc1cccc2c1c(n[nH]2)SCCc3ccncc3 62a_100000723409_100000049989 [0,1,0,0,0,1|1,0,0]=3 3924 B21R3.398561 Fc1ccnc2c1c(c[nH]2)SCCc3ccccc3 62a_100000765856_100010168365 [0,1,0,0,0,1|2,0,0]=4 3925 B21R3.398561 Fc1ccnc2c1c(c[nH]2)SCCc3ccncc3 62a_100000723409_100010168365 [0,1,0,0,0,1|1,0,0]=3 3926 B21R3.398561 Nc1cccc2c1c(n[nH]2)SCCc3ccccc3 62a_100000765856_100010186038 [0,1,0,0,0,1|2,0,0]=4 3927 B21R3.398561 Nc1cccc2c1c(n[nH]2)SCCc3ccncc3 62a_100000723409_100010186038 [0,1,0,0,0,1|1,0,0]=3 3928 B21R3.398561 Nc1nccc2c1c(co2)SCCc3ccncc3 62a_100000723409_200010135222 [0,1,0,0,0,1|2,0,0]=4 3929 B21R3.398561 Nc1nccc2c1c(co2)SCCc3ccncc3 62a_200010135222_100000723409 [0,1,0,0,0,1|2,0,0]=4 3930 B21R3.398561 Nc1nccc2c1c(cs2)SCCc3ccncc3 62a_200010188537_100000723409 [0,1,0,0,0,1|2,0,0]=4 3931 B21R3.398561 Nc1ncnc2c1c(c[nH]2)SCCc3ccncc3 62a_100000723409_100010179808 [0,1,0,0,0,1|2,0,0]=4 3932 B21R3.398561 Nc1ncnc2c1c(c[nH]2)SCCc3ccncc3 62a_100010179808_100000723409 [0,1,0,0,0,1|2,0,0]=4 3933 B21R3.398561 O=c1[nH]cnc2c1c(c[nH]2)SCCc3ccncc3 62a_100000723409_100010220714 [0,1,0,0,0,1|2,0,0]=4 3934 B21R3.398561 Oc1cccc2c1c(c[nH]2)C=NNc3ccncc3 4a_100000698918_100000050372 [0,1,0,0,0,1|1,0,1]=4 3935 B21R3.4959521 Cn1cc(c2c1cccc2)C=NNc3ccncc3 4a_100000698918_100000182148 [0,1,0,0,0,1|1,0,1]=4 3936 B21R3.4959521 Cn1cc(c2c1cccc2)CNCc3ccccc3 207a_100011997738_100015611070 [0,1,0,0,0,1|1,0,0]=3 3937 B21R3.4959521 Cn1cc(c2c1cccc2)CNCc3ccccc3 270004a_100011997738_100015611070 [0,1,0,0,0,1|1,0,0]=3 3938 B21R3.4959521 Cn1cc(c2c1cccc2)CNCc3ccccc3 34a_100011997738_100015291786 [0,1,0,0,0,1|1,0,0]=3 3939 B21R3.4959521 Cn1cc(c2c1cccc2)CNCc3ccccn3 207a_100011997738_100000209966 [0,1,0,0,0,1|2,0,0]=4 3940 B21R3.4959521 Cn1cc(c2c1cccc2)CNCc3ccccn3 270004a_100011997738_100000209966 [0,1,0,0,0,1|2,0,0]=4 3941 B21R3.4959521 Cn1cc(c2c1cccc2)CNCc3ccccn3 34a_100011997738_100000721315 [0,1,0,0,0,1|2,0,0]=4 3942 B21R3.4959521 Cn1cc(c2c1cccc2)CNCc3cccnc3 207a_100011997738_100000209961 [0,1,0,0,0,1|2,0,0]=4 3943 B21R3.4959521 Cn1cc(c2c1cccc2)CNCc3cccnc3 270004a_100011997738_100000209961 [0,1,0,0,0,1|2,0,0]=4 3944 B21R3.4959521 Cn1cc(c2c1cccc2)CNCc3cccnc3 34a_100011997738_100000733263 [0,1,0,0,0,1|2,0,0]=4 3945 B21R3.4959521 Cn1cc(c2c1cccc2)CNCc3ccncc3 207a_100011997738_100000186114 [0,1,0,0,0,1|0,0,0]=2 3946 B21R3.4959521 Cn1cc(c2c1cccc2)CNCc3ccnnc3 270004a_100011997738_100011934578 [0,1,0,0,0,1|1,0,0]=3 3947 B21R3.4959521 Cn1cc(c2c1nccc2)SCCc3ccccc3 62a_100000765856_100010205794 [0,1,0,0,0,1|2,0,0]=4 3948 B21R3.4959521 Cn1cc(c2c1nccc2)SCCc3ccncc3 62a_100000723409_100010205794 [0,1,0,0,0,1|1,0,0]=3 3949 B21R3.4959521 Cn1cc(c2c1ncnc2)NCCc3ccncc3 27a_100000742849_200011012545 [0,1,0,0,0,1|2,0,0]=4 3950 B21R3.4959521 Cn1cc(c2c1ncnc2)SCCc3ccncc3 62a_100000723409_200011012545 [0,1,0,0,0,1|2,0,0]=4 3951 B21R3.4959521 Cn1cc(c2c1ncnc2)SCCc3ccncc3 62a_200011012545_100000723409 [0,1,0,0,0,1|2,0,0]=4 3952 B21R3.4959521 Cn1nc(c2c1cccc2)CNCc3ccccc3 207a_100015324214_100011361492 [0,1,0,0,0,1|2,0,0]=4 3953 B21R3.4959521 Cn1nc(c2c1cccc2)CNCc3ccccc3 207a_200011934655_100015611070 [0,1,0,0,0,1|2,0,0]=4 3954 B21R3.4959521 Cn1nc(c2c1cccc2)CNCc3ccccc3 270004a_100015324214_100011361492 [0,1,0,0,0,1|2,0,0]=4 3955 B21R3.4959521 Cn1nc(c2c1cccc2)CNCc3ccccc3 270004a_200011934655_100015611070 [0,1,0,0,0,1|2,0,0]=4 3956 B21R3.4959521 Cn1nc(c2c1cccc2)CNCc3ccccc3 34a_200011934655_100015291786 [0,1,0,0,0,1|2,0,0]=4 3957 B21R3.4959521 Cn1nc(c2c1cccc2)CNCc3ccncc3 207a_200011934655_100000186114 [0,1,0,0,0,1|1,0,0]=3 3958 B21R3.4959521 Cn1nc(c2c1cccc2)CNCc3ccnnc3 270004a_200011934655_100011934578 [0,1,0,0,0,1|2,0,0]=4 3959 B21R3.4959521 Cn1nc(c2c1cccc2)COCc3ccccc3 34a_100011934675_100015291786 [0,1,0,0,0,1|2,0,0]=4 3960 B21R3.4959521 Cn1nc(c2c1cccc2)SCCc3ccccc3 62a_100000765856_100009817141 [0,1,0,0,0,1|2,0,0]=4 3961 B21R3.4959521 Cn1nc(c2c1cccc2)SCCc3ccccc3 62a_100009817141_100011218657 [0,1,0,0,0,1|2,0,0]=4 3962 B21R3.4959521 Cn1nc(c2c1cccc2)SCCc3ccncc3 62a_100000723409_100009817141 [0,1,0,0,0,1|1,0,0]=3 3963 B21R3.4959521 Cn1nc(c2c1cccc2)SCCc3ccncc3 62a_100009817141_100000723409 [0,1,0,0,0,1|1,0,0]=3 3964 B21R3.4959521 Cn1nc(c2c1cccn2)SCCc3ccncc3 62a_100000723409_100000761950 [0,1,0,0,0,1|2,0,0]=4 3965 B21R3.4959521 Cn1nc(c2c1nccc2)NCCc3ccncc3 27a_100000742849_100010248644 [0,1,0,0,0,1|2,0,0]=4 3966 B21R3.4959521 Cn1nc(c2c1nccc2)SCCc3ccncc3 62a_100000723409_100010248644 [0,1,0,0,0,1|2,0,0]=4 3967 B21R3.4959521 Cn1nc(c2c1nccc2)SCCc3ccncc3 62a_100010248644_100000723409 [0,1,0,0,0,1|2,0,0]=4 3968 B21R3.505 Brc1cc2ccccc2cc1NCc3ccncc3 7a_100009991566_100015193705 [0,1,0,0,0,1|2,0,0]=4 3969 B21R3.505 Brc1cc2ccccc2cc1OCc3ccncc3 7a_100009817189_100015193705 [0,1,0,0,0,1|2,0,0]=4 3970 B21R3.505 Brc1cc2ccccc2cc1SCc3ccncc3 62a_100015193705_200010169544 [0,1,0,0,0,1|2,0,0]=4 3971 B21R3.505 Brc1cc2ccccc2cc1SCc3ccncc3 62a_200010169544_100015193705 [0,1,0,0,0,1|2,0,0]=4 3972 B21R3.505 Brc1cc2ccccc2nc1SCc3ccncc3 62a_100010072790_100015193705 [0,1,0,0,0,1|2,0,0]=4 3973 B21R3.505 Brc1cc2ccccc2nc1SCc3ccncc3 62a_100015193705_100010072790 [0,1,0,0,0,1|2,0,0]=4 3974 B21R3.505 Cc1cc2ccccc2cc1OCc3ccncc3 7a_100000091601_100015193705 [0,1,0,0,0,1|2,0,0]=4 3975 B21R3.505 Cc1cc2ccccc2nc1NCc3ccncc3 27a_100000210450_100000751756 [0,1,0,0,0,1|2,0,0]=4 3976 B21R3.505 Cc1cc2ccccc2nc1SCc3ccncc3 62a_100015193705_100000751756 [0,1,0,0,0,1|2,0,0]=4 3977 B21R3.505 Cc1nc2ccccc2cc1OCc3ccncc3 7a_200000079175_100015193705 [0,1,0,0,0,1|1,0,1]=4 3978 B21R3.505 Cc1nc2ccccc2nc1NCc3ccncc3 27a_100000210450_100000185947 [0,1,0,0,0,1|1,0,1]=4 3979 B21R3.505 Cc1nc2ccccc2nc1SCc3ccncc3 62a_100000757254_100015193705 [0,1,0,0,0,1|1,0,1]=4 3980 B21R3.505 Cc1nc2ccccc2nc1SCc3ccncc3 62a_100015193705_100000185947 [0,1,0,0,0,1|1,0,1]=4 3981 B21R3.505 Clc1cc2ccccc2cc1SCc3ccncc3 62a_100010152806_100015193705 [0,1,0,0,0,1|2,0,0]=4 3982 B21R3.505 Clc1cc2ccccc2cc1SCc3ccncc3 62a_100015193705_100010152806 [0,1,0,0,0,1|2,0,0]=4 3983 B21R3.505 Clc1nc2ccccc2cc1COc3ccncc3 34a_100000212176_100000189640 [0,1,0,0,0,1|1,0,1]=4 3984 B21R3.505 Clc1nc2ccccc2cc1CSc3ccncc3 62a_100000728582_100000189640 [0,1,0,0,0,1|1,0,1]=4 3985 B21R3.505 Clc1nc2ccccc2cc1OCc3ccncc3 7a_200000100762_100015193705 [0,1,0,0,0,1|1,0,1]=4 3986 B21R3.505 Clc1nc2ccccc2cc1SCc3ccncc3 62a_100015193705_100010220712 [0,1,0,0,0,1|1,0,1]=4 3987 B21R3.505 Fc1nc2ccccc2cc1SCc3ccncc3 62a_100011158909_100015193705 [0,1,0,0,0,1|1,0,1]=4 3988 B21R3.505 Fc1nc2ccccc2cc1SCc3ccncc3 62a_100015193705_100011158909 [0,1,0,0,0,1|1,0,1]=4 3989 B21R3.505 Nc1cc2ccccc2cc1OCc3ccncc3 7a_106744474703_100015193705 [0,1,0,0,0,1|2,0,0]=4 3990 B21R3.505 Nc1cc2ccccc2cc1SCc3ccncc3 62a_100009991566_100015193705 [0,1,0,0,0,1|2,0,0]=4 3991 B21R3.505 Nc1cc2ccccc2cc1SCc3ccncc3 62a_100015193705_100009991566 [0,1,0,0,0,1|2,0,0]=4 3992 B21R3.505 Nc1nc2ccccc2cc1SCc3ccncc3 62a_100010135404_100015193705 [0,1,0,0,0,1|1,0,1]=4 3993 B21R3.505 Nc1nc2ccccc2nc1NCc3ccncc3 27a_100000210450_100000009970 [0,1,0,0,0,1|1,0,1]=4 3994 B21R3.505 O=c1[nH]c2ccccc2nc1COc3ccccc3 7a_100000210340_100000736137 [0,1,0,0,0,1|2,0,0]=4 3995 B21R3.505 O=c1[nH]c2ccccc2nc1CSc3ccccc3 62a_100000736137_100000041952 [0,1,0,0,0,1|2,0,0]=4 3996 B21R3.505 O=c1[nH]c2ccccc2nc1CSc3ccncc3 62a_100000736137_100000728582 [0,1,0,0,0,1|1,0,0]=3 3997 B21R3.505 O=c1[nH]c2ccccc2nc1CSc3ccncn3 62a_100000736137_100000703185 [0,1,0,0,0,1|2,0,0]=4 3998 B21R3.505 O=c1[nH]c2ccccc2nc1CSc3ccnnc3 62a_100000736137_100000732662 [0,1,0,0,0,1|2,0,0]=4 3999 B21R3.505 O=c1oc2ccccc2cc1OCc3ccncc3 7a_100000061252_100015193705 [0,1,0,0,0,1|2,0,0]=4 4000 B21R3.505 O=c1oc2ccccc2cc1SCc3ccncc3 62a_100015193705_200000187772 [0,1,0,0,0,1|2,0,0]=4 4001 B21R3.505 Oc1cc2ccccc2cc1SCc3ccncc3 62a_100015193705_100009817189 [0,1,0,0,0,1|2,0,0]=4 4002 B21R3.505 Oc1cc2ccccc2nc1SCc3ccncc3 62a_100015193705_200000100762 [0,1,0,0,0,1|2,0,0]=4 4003 B21R3.505 Oc1nc2ccccc2cc1SCc3ccncc3 62a_100015193705_200009820883 [0,1,0,0,0,1|1,0,1]=4 4004 B21R3.24438 CN(Cc1ccncc1)c2ccc3ccccc3c2 2230a_100000181211_100015193705 [0,1,0,0,0,1|2,0,0]=4 4005 B21R3.24438 CN(Cc1ccncc1)c2ccc3ccccc3c2 269982a_100000181211_100015193705 [0,1,0,0,0,1|2,0,0]=4 4006 B21R3.24438 CN(Cc1ccncc1)c2ccc3ccccc3n2 27a_100000187231_100011291633 [0,1,0,0,0,1|2,0,0]=4 4007 B21R3.24438 CN(Cc1ccncc1)c2cnc3ccccc3n2 27a_100000187231_100000756483 [0,1,0,0,0,1|1,0,1]=4 4008 B21R3.24438 O=C(Cc1ccncc1)c2ccc3ccccc3c2 1458a_100000210637_100000705612 [0,1,0,0,0,1|1,0,1]=4 4009 B21R3.24492 CC(Cc1ccc2ccccc2c1)c3ccccc3 271570a_100000062452_100000233703 [0,1,0,0,0,1|2,0,0]=4 4010 B21R3.24492 CC(Cc1ccc2ccccc2n1)c3ccccc3 271570a_100000062452_100011291633 [0,1,0,0,0,1|2,0,0]=4 4011 B21R3.24492 CC(Cc1cnc2ccccc2c1)c3ccccc3 271570a_100000062452_100000737414 [0,1,0,0,0,1|1,0,1]=4 4012 B21R3.24492 CC(Cc1cnc2ccccc2n1)c3ccccc3 271570a_100000062452_100000756483 [0,1,0,0,0,1|1,0,1]=4 4013 B21R3.24492 CC(Nc1ccc2ccccc2n1)c3ccncc3 27a_100000181269_100011291633 [0,1,0,0,0,1|2,0,0]=4 4014 B21R3.24492 CC(Nc1cnc2ccccc2n1)c3ccncc3 27a_100000181269_100000756483 [0,1,0,0,0,1|1,0,1]=4 4015 B21R3.153116 Brc1ccc2ccc(cc2c1)NCc3ccncc3 207a_100010090036_100000186114 [0,1,0,0,0,1|2,0,0]=4 4016 B21R3.153116 Brc1ccc2ccc(cc2c1)NCc3ccncc3 7a_100010090036_100015193705 [0,1,0,0,0,1|2,0,0]=4 4017 B21R3.153116 Brc1ccc2ccc(cc2c1)OCc3ccncc3 7a_100009816537_100015193705 [0,1,0,0,0,1|2,0,0]=4 4018 B21R3.153116 Brc1ccc2ncc(cc2c1)OCc3ccncc3 7a_100000703654_100015193705 [0,1,0,0,0,1|1,0,1]=4 4019 B21R3.153116 Brc1ccc2ncc(cc2c1)SCc3ccncc3 62a_100010740133_100015193705 [0,1,0,0,0,1|1,0,1]=4 4020 B21R3.153116 Brc1ccc2ncc(cc2c1)SCc3ccncc3 62a_100015193705_100010740133 [0,1,0,0,0,1|1,0,1]=4 4021 B21R3.153116 Cc1ccc2ccc(cc2c1)OCc3ccncc3 7a_100000091598_100015193705 [0,1,0,0,0,1|2,0,0]=4 4022 B21R3.153116 Cc1ccc2ncc(cc2c1)SCc3ccncc3 62a_100015193705_100015841224 [0,1,0,0,0,1|1,0,1]=4 4023 B21R3.153116 Clc1ccc2ccc(nc2c1)COc3ccncc3 34a_100000212176_100010196396 [0,1,0,0,0,1|2,0,0]=4 4024 B21R3.153116 Clc1ccc2ccc(nc2c1)CSc3ccncc3 62a_100000728582_100010196396 [0,1,0,0,0,1|2,0,0]=4 4025 B21R3.153116 Clc1ccc2ccc(nc2c1)CSc3ccncc3 62a_100010196396_100000728582 [0,1,0,0,0,1|2,0,0]=4 4026 B21R3.153116 Clc1ccc2ncc(cc2c1)SCc3ccncc3 62a_100015193705_100015929906 [0,1,0,0,0,1|1,0,1]=4 4027 B21R3.153116 Clc1ccc2ncc(cc2c1)SCc3ccncc3 62a_100015929906_100015193705 [0,1,0,0,0,1|1,0,1]=4 4028 B21R3.153116 Nc1ccc2ccc(cc2c1)OCc3ccncc3 7a_100015378740_100015193705 [0,1,0,0,0,1|2,0,0]=4 4029 B21R3.153116 Nc1ccc2ccc(cc2c1)SCc3ccncc3 62a_100010090036_100015193705 [0,1,0,0,0,1|2,0,0]=4 4030 B21R3.153116 Nc1ccc2ccc(cc2c1)SCc3ccncc3 62a_100015193705_100010090036 [0,1,0,0,0,1|2,0,0]=4 4031 B21R3.153116 Nc1ccc2ncc(cc2c1)SCc3ccncc3 62a_100009888932_100015193705 [0,1,0,0,0,1|1,0,1]=4 4032 B21R3.153116 Nc1ccc2ncc(cc2c1)SCc3ccncc3 62a_100015193705_100009888932 [0,1,0,0,0,1|1,0,1]=4 4033 B21R3.153116 Oc1ccc2ccc(cc2c1)NCc3ccncc3 7a_100015378740_100015193705 [0,1,0,0,0,1|2,0,0]=4 4034 B21R3.153116 Oc1ccc2ccc(cc2c1)SCc3ccncc3 62a_100015193705_100009816537 [0,1,0,0,0,1|2,0,0]=4 4035 B21R3.153116 Oc1ccc2ccc(nc2c1)SCc3ccncc3 62a_100015193705_100000079174 [0,1,0,0,0,1|2,0,0]=4 4036 B21R3.153116 Oc1ccc2ncc(cc2c1)SCc3ccncc3 62a_100015193705_100010137430 [0,1,0,0,0,1|1,0,1]=4 4037 B21R3.153116 Oc1ccc2ncc(nc2c1)NCc3ccncc3 27a_100000210450_200020640061 [0,1,0,0,0,1|1,0,1]=4 4038 B21R3.153116 Oc1ccc2ncc(nc2c1)SCc3ccncc3 62a_100015193705_200020640061 [0,1,0,0,0,1|1,0,1]=4 4039 B21R3.153330 Brc1ccc2cc(ccc2c1)COc3ccncc3 34a_100000212176_100012356510 [0,1,0,0,0,1|2,0,0]=4 4040 B21R3.153330 Brc1ccc2cc(ccc2c1)CSc3ccncc3 62a_100000728582_100012356510 [0,1,0,0,0,1|2,0,0]=4 4041 B21R3.153330 Brc1ccc2cc(ccc2c1)CSc3ccncc3 62a_100012356510_100000728582 [0,1,0,0,0,1|2,0,0]=4 4042 B21R3.153330 Brc1ccc2cc(ccc2c1)NCc3ccncc3 207a_100000185457_100000186114 [0,1,0,0,0,1|2,0,0]=4 4043 B21R3.153330 Brc1ccc2cc(ccc2c1)NCc3ccncc3 7a_100000185457_100015193705 [0,1,0,0,0,1|2,0,0]=4 4044 B21R3.153330 Brc1ccc2cc(ccc2c1)OCc3ccncc3 7a_100000185455_100015193705 [0,1,0,0,0,1|2,0,0]=4 4045 B21R3.153330 Brc1ccc2cc(ccc2c1)SCc3ccncc3 62a_100012344972_100015193705 [0,1,0,0,0,1|2,0,0]=4 4046 B21R3.153330 Brc1ccc2cc(ccc2c1)SCc3ccncc3 62a_100015193705_100012344972 [0,1,0,0,0,1|2,0,0]=4 4047 B21R3.153330 Cc1ccc2cc(ccc2c1)OCc3ccncc3 7a_100000074090_100015193705 [0,1,0,0,0,1|2,0,0]=4 4048 B21R3.153330 Cc1ccc2nc(ccc2c1)COc3ccncc3 34a_100000212176_100009884411 [0,1,0,0,0,1|2,0,0]=4 4049 B21R3.153330 Cc1ccc2nc(ccc2c1)CSc3ccncc3 62a_100000728582_100009884411 [0,1,0,0,0,1|2,0,0]=4 4050 B21R3.153330 Cc1ccc2nc(ccc2c1)CSc3ccncc3 62a_100009884411_100000728582 [0,1,0,0,0,1|2,0,0]=4 4051 B21R3.153330 Cc1ccc2nc(ccc2c1)NCc3ccncc3 27a_100000210450_100011865911 [0,1,0,0,0,1|2,0,0]=4 4052 B21R3.153330 Cc1ccc2nc(ccc2c1)SCc3ccncc3 62a_100015193705_100011865911 [0,1,0,0,0,1|2,0,0]=4 4053 B21R3.153330 Cc1ccc2nc(ccc2c1)SCc3ccncc3 62a_200000181977_100015193705 [0,1,0,0,0,1|2,0,0]=4 4054 B21R3.153330 Clc1ccc2cc(ccc2c1)OCc3ccncc3 7a_100000074905_100015193705 [0,1,0,0,0,1|2,0,0]=4 4055 B21R3.153330 Clc1ccc2cc(cnc2c1)SCc3ccncc3 62a_100015193705_100015716233 [0,1,0,0,0,1|1,0,1]=4 4056 B21R3.153330 Clc1ccc2cc(cnc2c1)SCc3ccncc3 62a_100015716233_100015193705 [0,1,0,0,0,1|1,0,1]=4 4057 B21R3.153330 Fc1ccc2cc(ccc2c1)OCc3ccncc3 7a_100009847029_100015193705 [0,1,0,0,0,1|2,0,0]=4 4058 B21R3.153330 Fc1ccc2cc(ccc2c1)SCc3ccncc3 62a_100009817052_100015193705 [0,1,0,0,0,1|2,0,0]=4 4059 B21R3.153330 Fc1ccc2cc(ccc2c1)SCc3ccncc3 62a_100015193705_100009817052 [0,1,0,0,0,1|2,0,0]=4 4060 B21R3.153330 Fc1ccc2cc(cnc2c1)OCc3ccncc3 7a_100012184162_100015193705 [0,1,0,0,0,1|1,0,1]=4 4061 B21R3.153330 Fc1ccc2nc(ccc2c1)NCc3ccncc3 27a_100000210450_100011998705 [0,1,0,0,0,1|2,0,0]=4 4062 B21R3.153330 Fc1ccc2nc(ccc2c1)SCc3ccncc3 62a_100015193705_100011998705 [0,1,0,0,0,1|2,0,0]=4 4063 B21R3.153330 Fc1ccc2nc(ccc2c1)SCc3ccncc3 62a_200012355665_100015193705 [0,1,0,0,0,1|2,0,0]=4 4064 B21R3.153330 Fc1ccc2nc(cnc2c1)NCc3ccncc3 27a_100000210450_100000098432 [0,1,0,0,0,1|1,0,1]=4 4065 B21R3.153330 Fc1ccc2nc(cnc2c1)SCc3ccncc3 62a_100000098432_100015193705 [0,1,0,0,0,1|1,0,1]=4 4066 B21R3.153330 Fc1ccc2nc(cnc2c1)SCc3ccncc3 62a_100015193705_100000098432 [0,1,0,0,0,1|1,0,1]=4 4067 B21R3.153330 Nc1ccc2cc(ccc2c1)SCc3ccncc3 62a_100000185457_100015193705 [0,1,0,0,0,1|2,0,0]=4 4068 B21R3.153330 Nc1ccc2cc(ccc2c1)SCc3ccncc3 62a_100015193705_100000185457 [0,1,0,0,0,1|2,0,0]=4 4069 B21R3.153330 Nc1ccc2cc(cnc2c1)SCc3ccncc3 62a_100015193705_200010264087 [0,1,0,0,0,1|1,0,1]=4 4070 B21R3.153330 Nc1ccc2cc(cnc2c1)SCc3ccncc3 62a_200010264087_100015193705 [0,1,0,0,0,1|1,0,1]=4 4071 B21R3.153330 Nc1ccc2nc(cnc2c1)NCc3ccncc3 27a_100000210450_100009885871 [0,1,0,0,0,1|1,0,1]=4 4072 B21R3.153330 Nc1ccc2nc(cnc2c1)SCc3ccncc3 62a_100015193705_100009885871 [0,1,0,0,0,1|1,0,1]=4 4073 B21R3.153330 Oc1ccc2cc(ccc2c1)SCc3ccncc3 62a_100015193705_100000185455 [0,1,0,0,0,1|2,0,0]=4 4074 B21R3.153330 Oc1ccc2cc(cnc2c1)SCc3ccncc3 62a_100015193705_200010153753 [0,1,0,0,0,1|1,0,1]=4 4075 B21R3.153330 Oc1ccc2nc(ccc2c1)SCc3ccncc3 62a_100015193705_100009849208 [0,1,0,0,0,1|2,0,0]=4 4076 B21R3.153330 Oc1ccc2nc(cnc2c1)NCc3ccncc3 27a_100000210450_200010664160 [0,1,0,0,0,1|1,0,1]=4 4077 B21R3.153330 Oc1ccc2nc(cnc2c1)SCc3ccncc3 62a_100015193705_200010664160 [0,1,0,0,0,1|1,0,1]=4 4078 B21R3.218733 Brc1cnccc1CNc2ccc3ccccc3n2 27a_100020640021_100011291633 [0,1,0,0,0,1|2,0,0]=4 4079 B21R3.218733 Brc1cnccc1CNc2cnc3ccccc3n2 27a_100020640021_100000756483 [0,1,0,0,0,1|1,0,1]=4 4080 B21R3.218733 Brc1cnccc1NCc2ccc3ccccc3c2 27a_100000739491_100000726257 [0,1,0,0,0,1|2,0,0]=4 4081 B21R3.218733 Brc1cnccc1NCc2ccc3ccccc3n2 27a_100015185970_100000726257 [0,1,0,0,0,1|2,0,0]=4 4082 B21R3.218733 Brc1cnccc1NCc2cnc3ccccc3c2 27a_100000742225_100000726257 [0,1,0,0,0,1|1,0,1]=4 4083 B21R3.218733 Brc1cnccc1OCc2ccc3ccccc3c2 34a_100011996408_100011216711 [0,1,0,0,0,1|2,0,0]=4 4084 B21R3.218733 Brc1cnccc1OCc2ccc3ccccc3n2 34a_100011996408_100000737579 [0,1,0,0,0,1|2,0,0]=4 4085 B21R3.218733 Brc1cnccc1SCc2ccc3ccccc3c2 62a_100000726257_100011216711 [0,1,0,0,0,1|2,0,0]=4 4086 B21R3.218733 Brc1cnccc1SCc2ccc3ccccc3c2 62a_100011216711_100000726257 [0,1,0,0,0,1|2,0,0]=4 4087 B21R3.218733 Brc1cnccc1SCc2ccc3ccccc3n2 62a_100000726257_100000737579 [0,1,0,0,0,1|2,0,0]=4 4088 B21R3.218733 Brc1cnccc1SCc2ccc3ccccc3n2 62a_100000737579_100000726257 [0,1,0,0,0,1|2,0,0]=4 4089 B21R3.218733 Brc1cnccc1SCc2cnc3ccccc3n2 62a_100000726257_200000751123 [0,1,0,0,0,1|1,0,1]=4 4090 B21R3.218733 Brc1cnccc1SCc2cnc3ccccc3n2 62a_200000751123_100000726257 [0,1,0,0,0,1|1,0,1]=4 4091 B21R3.218733 Cc1cnccc1CNc2ccc3ccccc3c2 34a_100000211940_100020672809 [0,1,0,0,0,1|2,0,0]=4 4092 B21R3.218733 Cc1cnccc1CNc2ccc3ccccc3c2 7a_100000211940_100020672808 [0,1,0,0,0,1|2,0,0]=4 4093 B21R3.218733 Cc1cnccc1CNc2ccc3ccccc3n2 27a_100000708811_100011291633 [0,1,0,0,0,1|2,0,0]=4 4094 B21R3.218733 Cc1cnccc1CNc2cnc3ccccc3n2 27a_100000708811_100000756483 [0,1,0,0,0,1|1,0,1]=4 4095 B21R3.218733 Cc1cnccc1COc2ccc3ccccc3c2 34a_100000185828_100020672809 [0,1,0,0,0,1|2,0,0]=4 4096 B21R3.218733 Cc1cnccc1COc2ccc3ccccc3c2 7a_100000185828_100020672808 [0,1,0,0,0,1|2,0,0]=4 4097 B21R3.218733 Cc1cnccc1COc2cnc3ccccc3c2 34a_100011934006_100020672809 [0,1,0,0,0,1|1,0,1]=4 4098 B21R3.218733 Cc1cnccc1COc2cnc3ccccc3c2 7a_100011934006_100020672808 [0,1,0,0,0,1|1,0,1]=4 4099 B21R3.218733 Cc1cnccc1CSc2ccc3ccccc3c2 62a_100020672808_100000233703 [0,1,0,0,0,1|2,0,0]=4 4100 B21R3.218733 Cc1cnccc1CSc2ccc3ccccc3n2 62a_100011291633_100020672808 [0,1,0,0,0,1|2,0,0]=4 4101 B21R3.218733 Cc1cnccc1CSc2ccc3ccccc3n2 62a_100020672808_100011291633 [0,1,0,0,0,1|2,0,0]=4 4102 B21R3.218733 Cc1cnccc1CSc2cnc3ccccc3c2 62a_100020672808_100000737414 [0,1,0,0,0,1|1,0,1]=4 4103 B21R3.218733 Cc1cnccc1CSc2cnc3ccccc3n2 62a_100000756483_100020672808 [0,1,0,0,0,1|1,0,1]=4 4104 B21R3.218733 Cc1cnccc1CSc2cnc3ccccc3n2 62a_100020672808_100000756483 [0,1,0,0,0,1|1,0,1]=4 4105 B21R3.218733 Cc1cnccc1NCc2ccc3ccccc3c2 27a_100000739491_100000765111 [0,1,0,0,0,1|2,0,0]=4 4106 B21R3.218733 Cc1cnccc1NCc2ccc3ccccc3n2 27a_100015185970_100000765111 [0,1,0,0,0,1|2,0,0]=4 4107 B21R3.218733 Cc1cnccc1NCc2cnc3ccccc3c2 27a_100000742225_100000765111 [0,1,0,0,0,1|1,0,1]=4 4108 B21R3.218733 Cc1cnccc1OCc2ccc3ccccc3c2 34a_100000694293_100011216711 [0,1,0,0,0,1|2,0,0]=4 4109 B21R3.218733 Cc1cnccc1OCc2ccc3ccccc3n2 34a_100000694293_100000737579 [0,1,0,0,0,1|2,0,0]=4 4110 B21R3.218733 Cc1cnccc1SCc2ccc3ccccc3c2 62a_100000765111_100011216711 [0,1,0,0,0,1|2,0,0]=4 4111 B21R3.218733 Cc1cnccc1SCc2ccc3ccccc3c2 62a_100011216711_100000765111 [0,1,0,0,0,1|2,0,0]=4 4112 B21R3.218733 Cc1cnccc1SCc2ccc3ccccc3n2 62a_100000737579_100000765111 [0,1,0,0,0,1|2,0,0]=4 4113 B21R3.218733 Cc1cnccc1SCc2ccc3ccccc3n2 62a_100000765111_100000737579 [0,1,0,0,0,1|2,0,0]=4 4114 B21R3.218733 Cc1cnccc1SCc2cnc3ccccc3n2 62a_100000765111_200000751123 [0,1,0,0,0,1|1,0,1]=4 4115 B21R3.218733 Cc1cnccc1SCc2cnc3ccccc3n2 62a_200000751123_100000765111 [0,1,0,0,0,1|1,0,1]=4 4116 B21R3.218733 Clc1cnccc1CNc2ccc3ccccc3c2 207a_100000211940_100011934409 [0,1,0,0,0,1|2,0,0]=4 4117 B21R3.218733 Clc1cnccc1CNc2ccc3ccccc3c2 7a_100000211940_100000763264 [0,1,0,0,0,1|2,0,0]=4 4118 B21R3.218733 Clc1cnccc1COc2ccc3ccccc3c2 7a_100000185828_100000763264 [0,1,0,0,0,1|2,0,0]=4 4119 B21R3.218733 Clc1cnccc1COc2cnc3ccccc3c2 7a_100011934006_100000763264 [0,1,0,0,0,1|1,0,1]=4 4120 B21R3.218733 Clc1cnccc1CSc2ccc3ccccc3c2 62a_100000763264_100000233703 [0,1,0,0,0,1|2,0,0]=4 4121 B21R3.218733 Clc1cnccc1CSc2ccc3ccccc3n2 62a_100000763264_100011291633 [0,1,0,0,0,1|2,0,0]=4 4122 B21R3.218733 Clc1cnccc1CSc2ccc3ccccc3n2 62a_100011291633_100000763264 [0,1,0,0,0,1|2,0,0]=4 4123 B21R3.218733 Clc1cnccc1CSc2cnc3ccccc3c2 62a_100000763264_100000737414 [0,1,0,0,0,1|1,0,1]=4 4124 B21R3.218733 Clc1cnccc1CSc2cnc3ccccc3n2 62a_100000756483_100000763264 [0,1,0,0,0,1|1,0,1]=4 4125 B21R3.218733 Clc1cnccc1CSc2cnc3ccccc3n2 62a_100000763264_100000756483 [0,1,0,0,0,1|1,0,1]=4 4126 B21R3.218733 Clc1cnccc1OCc2ccc3ccccc3c2 34a_100011997054_100011216711 [0,1,0,0,0,1|2,0,0]=4 4127 B21R3.218733 Clc1cnccc1OCc2ccc3ccccc3n2 34a_100011997054_100000737579 [0,1,0,0,0,1|2,0,0]=4 4128 B21R3.218733 Clc1cnccc1SCc2ccc3ccccc3c2 62a_100000708259_100011216711 [0,1,0,0,0,1|2,0,0]=4 4129 B21R3.218733 Clc1cnccc1SCc2ccc3ccccc3c2 62a_100011216711_100000708259 [0,1,0,0,0,1|2,0,0]=4 4130 B21R3.218733 Clc1cnccc1SCc2ccc3ccccc3n2 62a_100000708259_100000737579 [0,1,0,0,0,1|2,0,0]=4 4131 B21R3.218733 Clc1cnccc1SCc2ccc3ccccc3n2 62a_100000737579_100000708259 [0,1,0,0,0,1|2,0,0]=4 4132 B21R3.218733 Clc1cnccc1SCc2cnc3ccccc3n2 62a_100000708259_200000751123 [0,1,0,0,0,1|1,0,1]=4 4133 B21R3.218733 Clc1cnccc1SCc2cnc3ccccc3n2 62a_200000751123_100000708259 [0,1,0,0,0,1|1,0,1]=4 4134 B21R3.218733 Fc1cnccc1CNc2ccc3ccccc3n2 27a_100011935246_100011291633 [0,1,0,0,0,1|2,0,0]=4 4135 B21R3.218733 Fc1cnccc1CNc2cnc3ccccc3n2 27a_100011935246_100000756483 [0,1,0,0,0,1|1,0,1]=4 4136 B21R3.218733 Fc1cnccc1NCc2ccc3ccccc3c2 27a_100000739491_100000035921 [0,1,0,0,0,1|2,0,0]=4 4137 B21R3.218733 Fc1cnccc1NCc2ccc3ccccc3n2 27a_100015185970_100000035921 [0,1,0,0,0,1|2,0,0]=4 4138 B21R3.218733 Fc1cnccc1NCc2cnc3ccccc3c2 27a_100000742225_100000035921 [0,1,0,0,0,1|1,0,1]=4 4139 B21R3.218733 Fc1cnccc1OCc2ccc3ccccc3c2 34a_200000081243_100011216711 [0,1,0,0,0,1|2,0,0]=4 4140 B21R3.218733 Fc1cnccc1OCc2ccc3ccccc3n2 34a_200000081243_100000737579 [0,1,0,0,0,1|2,0,0]=4 4141 B21R3.218733 Fc1cnccc1SCc2ccc3ccccc3c2 62a_100000047030_100011216711 [0,1,0,0,0,1|2,0,0]=4 4142 B21R3.218733 Fc1cnccc1SCc2ccc3ccccc3c2 62a_100011216711_100000047030 [0,1,0,0,0,1|2,0,0]=4 4143 B21R3.218733 Fc1cnccc1SCc2ccc3ccccc3n2 62a_100000047030_100000737579 [0,1,0,0,0,1|2,0,0]=4 4144 B21R3.218733 Fc1cnccc1SCc2ccc3ccccc3n2 62a_100000737579_100000047030 [0,1,0,0,0,1|2,0,0]=4 4145 B21R3.218733 Fc1cnccc1SCc2cnc3ccccc3n2 62a_100000047030_200000751123 [0,1,0,0,0,1|1,0,1]=4 4146 B21R3.218733 Fc1cnccc1SCc2cnc3ccccc3n2 62a_200000751123_100000047030 [0,1,0,0,0,1|1,0,1]=4 4147 B21R3.218733 Nc1cnccc1SCc2ccc3ccccc3c2 62a_100000756074_100011216711 [0,1,0,0,0,1|2,0,0]=4 4148 B21R3.218733 Nc1cnccc1SCc2ccc3ccccc3c2 62a_100011216711_100000756074 [0,1,0,0,0,1|2,0,0]=4 4149 B21R3.218733 Nc1cnccc1SCc2ccc3ccccc3n2 62a_100000737579_100000756074 [0,1,0,0,0,1|2,0,0]=4 4150 B21R3.218733 Nc1cnccc1SCc2ccc3ccccc3n2 62a_100000756074_100000737579 [0,1,0,0,0,1|2,0,0]=4 4151 B21R3.218733 Nc1cnccc1SCc2cnc3ccccc3n2 62a_100000756074_200000751123 [0,1,0,0,0,1|1,0,1]=4 4152 B21R3.218733 Nc1cnccc1SCc2cnc3ccccc3n2 62a_200000751123_100000756074 [0,1,0,0,0,1|1,0,1]=4 4153 B21R3.218733 Oc1cnccc1SCc2ccc3ccccc3c2 62a_100009817591_100011216711 [0,1,0,0,0,1|2,0,0]=4 4154 B21R3.218733 Oc1cnccc1SCc2ccc3ccccc3c2 62a_100011216711_100009817591 [0,1,0,0,0,1|2,0,0]=4 4155 B21R3.218733 Oc1cnccc1SCc2ccc3ccccc3n2 62a_100000737579_100009817591 [0,1,0,0,0,1|2,0,0]=4 4156 B21R3.218733 Oc1cnccc1SCc2ccc3ccccc3n2 62a_100009817591_100000737579 [0,1,0,0,0,1|2,0,0]=4 4157 B21R3.218733 Oc1cnccc1SCc2cnc3ccccc3n2 62a_100009817591_200000751123 [0,1,0,0,0,1|1,0,1]=4 4158 B21R3.218733 Oc1cnccc1SCc2cnc3ccccc3n2 62a_200000751123_100009817591 [0,1,0,0,0,1|1,0,1]=4 4159 B21R3.397713 Brc1cccc2c1ncc(c2)SCc3ccncc3 62a_100010204298_100015193705 [0,1,0,0,0,1|1,0,1]=4 4160 B21R3.397713 Brc1cccc2c1ncc(c2)SCc3ccncc3 62a_100015193705_100010204298 [0,1,0,0,0,1|1,0,1]=4 4161 B21R3.397713 Cc1cccc2c1ncc(c2)SCc3ccncc3 62a_100015193705_100009829671 [0,1,0,0,0,1|1,0,1]=4 4162 B21R3.397713 Clc1cccc2c1ncc(c2)SCc3ccncc3 62a_100015193705_100000759377 [0,1,0,0,0,1|1,0,1]=4 4163 B21R3.397713 Fc1cccc2c1ncc(c2)OCc3ccncc3 7a_100012184956_100015193705 [0,1,0,0,0,1|1,0,1]=4 4164 B21R3.397713 Fc1cccc2c1ncc(c2)SCc3ccncc3 62a_100000049890_100015193705 [0,1,0,0,0,1|1,0,1]=4 4165 B21R3.397713 Fc1cccc2c1ncc(c2)SCc3ccncc3 62a_100015193705_100000049890 [0,1,0,0,0,1|1,0,1]=4 4166 B21R3.397713 Nc1cccc2c1ccc(c2)OCc3ccncc3 7a_100000034668_100015193705 [0,1,0,0,0,1|2,0,0]=4 4167 B21R3.397713 Nc1cccc2c1ccc(c2)SCc3ccncc3 62a_100010090037_100015193705 [0,1,0,0,0,1|2,0,0]=4 4168 B21R3.397713 Nc1cccc2c1ccc(c2)SCc3ccncc3 62a_100015193705_100010090037 [0,1,0,0,0,1|2,0,0]=4 4169 B21R3.397713 Nc1cccc2c1ncc(c2)SCc3ccncc3 62a_100015193705_100000702407 [0,1,0,0,0,1|1,0,1]=4 4170 B21R3.397713 Oc1cccc2c1ccc(c2)NCc3ccncc3 7a_100000035793_100015193705 [0,1,0,0,0,1|2,0,0]=4 4171 B21R3.397713 Oc1cccc2c1ccc(c2)SCc3ccncc3 62a_100015193705_100010202202 [0,1,0,0,0,1|2,0,0]=4 4172 B21R3.444247 Brc1cc(cc2c1cccc2)NCc3ccncc3 207a_100010089974_100000186114 [0,1,0,0,0,1|2,0,0]=4 4173 B21R3.444247 Brc1cc(cc2c1cccc2)NCc3ccncc3 7a_100010089974_100015193705 [0,1,0,0,0,1|2,0,0]=4 4174 B21R3.444247 Brc1cc(cc2c1cccc2)OCc3ccncc3 7a_100010001680_100015193705 [0,1,0,0,0,1|2,0,0]=4 4175 B21R3.444247 Cc1cc(nc2c1cccc2)NCc3ccncc3 27a_100000210450_100000184993 [0,1,0,0,0,1|2,0,0]=4 4176 B21R3.444247 Cc1cc(nc2c1cccc2)SCc3ccncc3 62a_100012354972_100015193705 [0,1,0,0,0,1|2,0,0]=4 4177 B21R3.444247 Cc1cc(nc2c1cccc2)SCc3ccncc3 62a_100015193705_100000184993 [0,1,0,0,0,1|2,0,0]=4 4178 B21R3.444247 Nc1cc(cc2c1cccc2)SCc3ccncc3 62a_100010171453_100015193705 [0,1,0,0,0,1|2,0,0]=4 4179 B21R3.444247 Nc1cc(cc2c1cccc2)SCc3ccncc3 62a_100015193705_100010171453 [0,1,0,0,0,1|2,0,0]=4 4180 B21R3.444247 Nc1cc(nc2c1cccc2)SCc3ccncc3 62a_100010197925_100015193705 [0,1,0,0,0,1|2,0,0]=4 4181 B21R3.444247 O=c1cc([nH]c2c1cccc2)SCc3ccncc3 62a_100015193705_100000090176 [0,1,0,0,0,1|2,0,0]=4 4182 B21R3.444247 Oc1cc(cc2c1cccc2)SCc3ccncc3 62a_100015193705_100010089979 [0,1,0,0,0,1|2,0,0]=4 4183 B21R3.469780 Brc1cc(ccn1)CNc2ccc3ccccc3c2 34a_100000211940_100010243470 [0,1,0,0,0,1|2,0,0]=4 4184 B21R3.469780 Brc1cc(ccn1)CNc2ccc3ccccc3c2 7a_100000211940_100010254460 [0,1,0,0,0,1|2,0,0]=4 4185 B21R3.469780 Brc1cc(ccn1)CNc2ccc3ccccc3n2 27a_100025757509_100011291633 [0,1,0,0,0,1|2,0,0]=4 4186 B21R3.469780 Brc1cc(ccn1)CNc2cnc3ccccc3n2 27a_100025757509_100000756483 [0,1,0,0,0,1|1,0,1]=4 4187 B21R3.469780 Brc1cc(ccn1)COc2ccc3ccccc3c2 34a_100000185828_100010243470 [0,1,0,0,0,1|2,0,0]=4 4188 B21R3.469780 Brc1cc(ccn1)COc2ccc3ccccc3c2 7a_100000185828_100010254460 [0,1,0,0,0,1|2,0,0]=4 4189 B21R3.469780 Brc1cc(ccn1)COc2cnc3ccccc3c2 34a_100011934006_100010243470 [0,1,0,0,0,1|1,0,1]=4 4190 B21R3.469780 Brc1cc(ccn1)COc2cnc3ccccc3c2 7a_100011934006_100010254460 [0,1,0,0,0,1|1,0,1]=4 4191 B21R3.469780 Brc1cc(ccn1)CSc2ccc3ccccc3c2 62a_100010254460_100000233703 [0,1,0,0,0,1|2,0,0]=4 4192 B21R3.469780 Brc1cc(ccn1)CSc2ccc3ccccc3n2 62a_100010254460_100011291633 [0,1,0,0,0,1|2,0,0]=4 4193 B21R3.469780 Brc1cc(ccn1)CSc2ccc3ccccc3n2 62a_100011291633_100010243470 [0,1,0,0,0,1|2,0,0]=4 4194 B21R3.469780 Brc1cc(ccn1)CSc2cnc3ccccc3c2 62a_100010254460_100000737414 [0,1,0,0,0,1|1,0,1]=4 4195 B21R3.469780 Brc1cc(ccn1)CSc2cnc3ccccc3n2 62a_100000756483_100010243470 [0,1,0,0,0,1|1,0,1]=4 4196 B21R3.469780 Brc1cc(ccn1)CSc2cnc3ccccc3n2 62a_100010254460_100000756483 [0,1,0,0,0,1|1,0,1]=4 4197 B21R3.469780 Brc1cc(ccn1)SCc2ccc3ccccc3c2 62a_100009814637_100011216711 [0,1,0,0,0,1|2,0,0]=4 4198 B21R3.469780 Brc1cc(ccn1)SCc2ccc3ccccc3c2 62a_100011216711_100009814637 [0,1,0,0,0,1|2,0,0]=4 4199 B21R3.469780 Brc1cc(ccn1)SCc2ccc3ccccc3n2 62a_100000737579_100009814637 [0,1,0,0,0,1|2,0,0]=4 4200 B21R3.469780 Brc1cc(ccn1)SCc2ccc3ccccc3n2 62a_100009814637_100000737579 [0,1,0,0,0,1|2,0,0]=4 4201 B21R3.469780 Brc1cc(ccn1)SCc2cnc3ccccc3n2 62a_100009814637_200000751123 [0,1,0,0,0,1|1,0,1]=4 4202 B21R3.469780 Brc1cc(ccn1)SCc2cnc3ccccc3n2 62a_200000751123_100009814637 [0,1,0,0,0,1|1,0,1]=4 4203 B21R3.469780 Cc1cc(ccn1)CNc2ccc3ccccc3c2 207a_100000211940_100011361630 [0,1,0,0,0,1|2,0,0]=4 4204 B21R3.469780 Cc1cc(ccn1)CNc2ccc3ccccc3c2 34a_100000211940_200020672517 [0,1,0,0,0,1|2,0,0]=4 4205 B21R3.469780 Cc1cc(ccn1)CNc2ccc3ccccc3c2 7a_100000211940_200020672517 [0,1,0,0,0,1|2,0,0]=4 4206 B21R3.469780 Cc1cc(ccn1)CNc2ccc3ccccc3n2 27a_100011934566_100011291633 [0,1,0,0,0,1|2,0,0]=4 4207 B21R3.469780 Cc1cc(ccn1)CNc2cnc3ccccc3n2 27a_100011934566_100000756483 [0,1,0,0,0,1|1,0,1]=4 4208 B21R3.469780 Cc1cc(ccn1)COc2ccc3ccccc3c2 34a_100000185828_200020672517 [0,1,0,0,0,1|2,0,0]=4 4209 B21R3.469780 Cc1cc(ccn1)COc2ccc3ccccc3c2 7a_100000185828_200020672517 [0,1,0,0,0,1|2,0,0]=4 4210 B21R3.469780 Cc1cc(ccn1)COc2cnc3ccccc3c2 34a_100011934006_200020672517 [0,1,0,0,0,1|1,0,1]=4 4211 B21R3.469780 Cc1cc(ccn1)COc2cnc3ccccc3c2 7a_100011934006_200020672517 [0,1,0,0,0,1|1,0,1]=4 4212 B21R3.469780 Cc1cc(ccn1)CSc2ccc3ccccc3c2 62a_200020672517_100000233703 [0,1,0,0,0,1|2,0,0]=4 4213 B21R3.469780 Cc1cc(ccn1)CSc2ccc3ccccc3n2 62a_100011291633_200020672517 [0,1,0,0,0,1|2,0,0]=4 4214 B21R3.469780 Cc1cc(ccn1)CSc2ccc3ccccc3n2 62a_200020672517_100011291633 [0,1,0,0,0,1|2,0,0]=4 4215 B21R3.469780 Cc1cc(ccn1)CSc2cnc3ccccc3c2 62a_200020672517_100000737414 [0,1,0,0,0,1|1,0,1]=4 4216 B21R3.469780 Cc1cc(ccn1)CSc2cnc3ccccc3n2 62a_100000756483_200020672517 [0,1,0,0,0,1|1,0,1]=4 4217 B21R3.469780 Cc1cc(ccn1)CSc2cnc3ccccc3n2 62a_200020672517_100000756483 [0,1,0,0,0,1|1,0,1]=4 4218 B21R3.469780 Cc1cc(ccn1)NCc2ccc3ccccc3c2 27a_100000739491_100000758586 [0,1,0,0,0,1|2,0,0]=4 4219 B21R3.469780 Cc1cc(ccn1)NCc2ccc3ccccc3n2 27a_100015185970_100000758586 [0,1,0,0,0,1|2,0,0]=4 4220 B21R3.469780 Cc1cc(ccn1)NCc2cnc3ccccc3c2 27a_100000742225_100000758586 [0,1,0,0,0,1|1,0,1]=4 4221 B21R3.469780 Cc1cc(ccn1)OCc2ccc3ccccc3c2 34a_100000688365_100011216711 [0,1,0,0,0,1|2,0,0]=4 4222 B21R3.469780 Cc1cc(ccn1)OCc2ccc3ccccc3n2 34a_100000688365_100000737579 [0,1,0,0,0,1|2,0,0]=4 4223 B21R3.469780 Cc1cc(ccn1)SCc2ccc3ccccc3c2 62a_100000758586_100011216711 [0,1,0,0,0,1|2,0,0]=4 4224 B21R3.469780 Cc1cc(ccn1)SCc2ccc3ccccc3c2 62a_100011216711_100000758586 [0,1,0,0,0,1|2,0,0]=4 4225 B21R3.469780 Cc1cc(ccn1)SCc2ccc3ccccc3n2 62a_100000737579_100000758586 [0,1,0,0,0,1|2,0,0]=4 4226 B21R3.469780 Cc1cc(ccn1)SCc2ccc3ccccc3n2 62a_100000758586_100000737579 [0,1,0,0,0,1|2,0,0]=4 4227 B21R3.469780 Cc1cc(ccn1)SCc2cnc3ccccc3n2 62a_100000758586_200000751123 [0,1,0,0,0,1|1,0,1]=4 4228 B21R3.469780 Cc1cc(ccn1)SCc2cnc3ccccc3n2 62a_200000751123_100000758586 [0,1,0,0,0,1|1,0,1]=4 4229 B21R3.469780 Clc1cc(ccn1)CNc2ccc3ccccc3c2 34a_100000211940_100000764220 [0,1,0,0,0,1|2,0,0]=4 4230 B21R3.469780 Clc1cc(ccn1)CNc2ccc3ccccc3c2 7a_100000211940_100000764220 [0,1,0,0,0,1|2,0,0]=4 4231 B21R3.469780 Clc1cc(ccn1)CNc2ccc3ccccc3n2 27a_100015205668_100011291633 [0,1,0,0,0,1|2,0,0]=4 4232 B21R3.469780 Clc1cc(ccn1)CNc2cnc3ccccc3n2 27a_100015205668_100000756483 [0,1,0,0,0,1|1,0,1]=4 4233 B21R3.469780 Clc1cc(ccn1)COc2ccc3ccccc3c2 34a_100000185828_100000764220 [0,1,0,0,0,1|2,0,0]=4 4234 B21R3.469780 Clc1cc(ccn1)COc2ccc3ccccc3c2 7a_100000185828_100000764220 [0,1,0,0,0,1|2,0,0]=4 4235 B21R3.469780 Clc1cc(ccn1)COc2cnc3ccccc3c2 34a_100011934006_100000764220 [0,1,0,0,0,1|1,0,1]=4 4236 B21R3.469780 Clc1cc(ccn1)COc2cnc3ccccc3c2 7a_100011934006_100000764220 [0,1,0,0,0,1|1,0,1]=4 4237 B21R3.469780 Clc1cc(ccn1)CSc2ccc3ccccc3c2 62a_100000764220_100000233703 [0,1,0,0,0,1|2,0,0]=4 4238 B21R3.469780 Clc1cc(ccn1)CSc2ccc3ccccc3n2 62a_100000764220_100011291633 [0,1,0,0,0,1|2,0,0]=4 4239 B21R3.469780 Clc1cc(ccn1)CSc2ccc3ccccc3n2 62a_100011291633_100000764220 [0,1,0,0,0,1|2,0,0]=4 4240 B21R3.469780 Clc1cc(ccn1)CSc2cnc3ccccc3c2 62a_100000764220_100000737414 [0,1,0,0,0,1|1,0,1]=4 4241 B21R3.469780 Clc1cc(ccn1)CSc2cnc3ccccc3n2 62a_100000756483_100000764220 [0,1,0,0,0,1|1,0,1]=4 4242 B21R3.469780 Clc1cc(ccn1)CSc2cnc3ccccc3n2 62a_100000764220_100000756483 [0,1,0,0,0,1|1,0,1]=4 4243 B21R3.469780 Clc1cc(ccn1)OCc2ccc3ccccc3c2 34a_100000762945_100011216711 [0,1,0,0,0,1|2,0,0]=4 4244 B21R3.469780 Clc1cc(ccn1)OCc2ccc3ccccc3n2 34a_100000762945_100000737579 [0,1,0,0,0,1|2,0,0]=4 4245 B21R3.469780 Clc1cc(ccn1)SCc2ccc3ccccc3c2 62a_100000035001_100011216711 [0,1,0,0,0,1|2,0,0]=4 4246 B21R3.469780 Clc1cc(ccn1)SCc2ccc3ccccc3c2 62a_100011216711_100000035001 [0,1,0,0,0,1|2,0,0]=4 4247 B21R3.469780 Clc1cc(ccn1)SCc2ccc3ccccc3n2 62a_100000035001_100000737579 [0,1,0,0,0,1|2,0,0]=4 4248 B21R3.469780 Clc1cc(ccn1)SCc2ccc3ccccc3n2 62a_100000737579_100000035001 [0,1,0,0,0,1|2,0,0]=4 4249 B21R3.469780 Clc1cc(ccn1)SCc2cnc3ccccc3n2 62a_100000035001_200000751123 [0,1,0,0,0,1|1,0,1]=4 4250 B21R3.469780 Clc1cc(ccn1)SCc2cnc3ccccc3n2 62a_200000751123_100000035001 [0,1,0,0,0,1|1,0,1]=4 4251 B21R3.469780 Fc1cc(ccn1)CNc2ccc3ccccc3n2 27a_100015188774_100011291633 [0,1,0,0,0,1|2,0,0]=4 4252 B21R3.469780 Fc1cc(ccn1)CNc2cnc3ccccc3n2 27a_100015188774_100000756483 [0,1,0,0,0,1|1,0,1]=4 4253 B21R3.469780 Fc1cc(ccn1)NCc2ccc3ccccc3c2 27a_100000739491_100009816116 [0,1,0,0,0,1|2,0,0]=4 4254 B21R3.469780 Fc1cc(ccn1)NCc2ccc3ccccc3n2 27a_100015185970_100009816116 [0,1,0,0,0,1|2,0,0]=4 4255 B21R3.469780 Fc1cc(ccn1)NCc2cnc3ccccc3c2 27a_100000742225_100009816116 [0,1,0,0,0,1|1,0,1]=4 4256 B21R3.469780 Fc1cc(ccn1)OCc2ccc3ccccc3c2 34a_100000732698_100011216711 [0,1,0,0,0,1|2,0,0]=4 4257 B21R3.469780 Fc1cc(ccn1)OCc2ccc3ccccc3n2 34a_100000732698_100000737579 [0,1,0,0,0,1|2,0,0]=4 4258 B21R3.469780 Fc1cc(ccn1)SCc2ccc3ccccc3c2 62a_100009816116_100011216711 [0,1,0,0,0,1|2,0,0]=4 4259 B21R3.469780 Fc1cc(ccn1)SCc2ccc3ccccc3c2 62a_100011216711_100009816116 [0,1,0,0,0,1|2,0,0]=4 4260 B21R3.469780 Fc1cc(ccn1)SCc2ccc3ccccc3n2 62a_100000737579_100009816116 [0,1,0,0,0,1|2,0,0]=4 4261 B21R3.469780 Fc1cc(ccn1)SCc2ccc3ccccc3n2 62a_100009816116_100000737579 [0,1,0,0,0,1|2,0,0]=4 4262 B21R3.469780 Fc1cc(ccn1)SCc2cnc3ccccc3n2 62a_100009816116_200000751123 [0,1,0,0,0,1|1,0,1]=4 4263 B21R3.469780 Fc1cc(ccn1)SCc2cnc3ccccc3n2 62a_200000751123_100009816116 [0,1,0,0,0,1|1,0,1]=4 4264 B21R3.469780 Nc1cc(ccn1)OCc2ccc3ccccc3c2 34a_100011834064_100011216711 [0,1,0,0,0,1|2,0,0]=4 4265 B21R3.469780 Nc1cc(ccn1)OCc2ccc3ccccc3n2 34a_100011834064_100000737579 [0,1,0,0,0,1|2,0,0]=4 4266 B21R3.469780 Nc1cc(ccn1)SCc2ccc3ccccc3c2 62a_100000049665_100011216711 [0,1,0,0,0,1|2,0,0]=4 4267 B21R3.469780 Nc1cc(ccn1)SCc2ccc3ccccc3c2 62a_100011216711_100000049665 [0,1,0,0,0,1|2,0,0]=4 4268 B21R3.469780 Nc1cc(ccn1)SCc2ccc3ccccc3n2 62a_100000049665_100000737579 [0,1,0,0,0,1|2,0,0]=4 4269 B21R3.469780 Nc1cc(ccn1)SCc2ccc3ccccc3n2 62a_100000737579_100000049665 [0,1,0,0,0,1|2,0,0]=4 4270 B21R3.469780 Nc1cc(ccn1)SCc2cnc3ccccc3n2 62a_100000049665_200000751123 [0,1,0,0,0,1|1,0,1]=4 4271 B21R3.469780 Nc1cc(ccn1)SCc2cnc3ccccc3n2 62a_200000751123_100000049665 [0,1,0,0,0,1|1,0,1]=4 4272 B21R3.469780 Oc1cc(ccn1)CNc2ccc3ccccc3c2 207a_100000211940_100000688113 [0,1,0,0,0,1|2,0,0]=4 4273 B21R3.469780 Oc1cc(ccn1)CNc2ccc3ccccc3n2 27a_100000748557_100011291633 [0,1,0,0,0,1|2,0,0]=4 4274 B21R3.469780 Oc1cc(ccn1)CNc2cnc3ccccc3n2 27a_100000748557_100000756483 [0,1,0,0,0,1|1,0,1]=4 4275 B21R3.3944604 Brc1c(ccc2c1cccc2)COc3ccncc3 34a_100000212176_100009813938 [0,1,0,0,0,1|2,0,0]=4 4276 B21R3.3944604 Brc1c(ccc2c1cccc2)CSc3ccncc3 62a_100000728582_100009813938 [0,1,0,0,0,1|2,0,0]=4 4277 B21R3.3944604 Brc1c(ccc2c1cccc2)CSc3ccncc3 62a_100009813938_100000728582 [0,1,0,0,0,1|2,0,0]=4 4278 B21R3.3944604 Brc1c(ccc2c1cccc2)OCc3ccncc3 7a_100000183829_100015193705 [0,1,0,0,0,1|2,0,0]=4 4279 B21R3.3944604 Brc1c(ccc2c1cccc2)SCc3ccncc3 62a_100015193705_200010089984 [0,1,0,0,0,1|2,0,0]=4 4280 B21R3.3944604 Brc1c(ccc2c1cccc2)SCc3ccncc3 62a_200010089984_100015193705 [0,1,0,0,0,1|2,0,0]=4 4281 B21R3.3944604 Cc1c(ccc2c1cccc2)OCc3ccncc3 7a_100009830054_100015193705 [0,1,0,0,0,1|2,0,0]=4 4282 B21R3.3944604 Cc1c(ccc2c1cccc2)SCc3ccncc3 62a_100010221197_100015193705 [0,1,0,0,0,1|2,0,0]=4 4283 B21R3.3944604 Cc1c(ccc2c1cccc2)SCc3ccncc3 62a_100015193705_100010221197 [0,1,0,0,0,1|2,0,0]=4 4284 B21R3.3944604 Clc1c(ccc2c1cccc2)OCc3ccncc3 7a_100000029778_100015193705 [0,1,0,0,0,1|2,0,0]=4 4285 B21R3.3944604 Clc1c(cnc2c1cccc2)SCc3ccncc3 62a_100015193705_100012352519 [0,1,0,0,0,1|1,0,1]=4 4286 B21R3.3944604 Fc1c(ccc2c1cccc2)SCc3ccncc3 62a_100009832041_100015193705 [0,1,0,0,0,1|2,0,0]=4 4287 B21R3.3944604 Fc1c(ccc2c1cccc2)SCc3ccncc3 62a_100015193705_100009832041 [0,1,0,0,0,1|2,0,0]=4 4288 B21R3.3944604 Ic1c(ccc2c1cccc2)OCc3ccncc3 7a_100000041551_100015193705 [0,1,0,0,0,1|2,0,0]=4 4289 B21R3.3944604 Nc1c(ccc2c1cccc2)OCc3ccncc3 7a_100000007056_100015193705 [0,1,0,0,0,1|2,0,0]=4 4290 B21R3.3944604 Nc1c(ccc2c1cccc2)SCc3ccncc3 62a_100009817101_100015193705 [0,1,0,0,0,1|2,0,0]=4 4291 B21R3.3944604 Nc1c(cnc2c1cccc2)SCc3ccncc3 62a_100009995562_100015193705 [0,1,0,0,0,1|1,0,1]=4 4292 B21R3.3944604 Nc1c(cnc2c1cccc2)SCc3ccncc3 62a_100015193705_100009995562 [0,1,0,0,0,1|1,0,1]=4 4293 B21R3.3944604 O=c1c(c[nH]c2c1cccc2)SCc3ccccc3 62a_100000211182_100012348052 [0,1,0,0,0,1|2,0,0]=4 4294 B21R3.3944604 O=c1c(c[nH]c2c1cccc2)SCc3ccncc3 62a_100015193705_100012348052 [0,1,0,0,0,1|1,0,0]=3 4295 B21R3.3944604 O=c1c(coc2c1cccc2)SCc3ccncc3 62a_100015193705_100009813851 [0,1,0,0,0,1|2,0,0]=4 4296 B21R3.3944604 Oc1c(ccc2c1cccc2)SCc3ccncc3 62a_100015193705_100009996032 [0,1,0,0,0,1|2,0,0]=4 4297 B21R3.6681832 Brc1cccc2c1cc(cc2)OCc3ccncc3 7a_100010169565_100015193705 [0,1,0,0,0,1|2,0,0]=4 4298 B21R3.6681832 Cc1cccc2c1cc(cc2)OCc3ccncc3 7a_200000091600_100015193705 [0,1,0,0,0,1|2,0,0]=4 4299 B21R3.6681832 Cc1cccc2c1cc(cc2)SCc3ccncc3 62a_100015193705_100010089936 [0,1,0,0,0,1|2,0,0]=4 4300 B21R3.6681832 Cc1cccc2c1nc(cc2)NCc3ccncc3 27a_100000210450_100012002297 [0,1,0,0,0,1|2,0,0]=4 4301 B21R3.6681832 Cc1cccc2c1nc(cc2)SCc3ccncc3 62a_100015193705_100012002297 [0,1,0,0,0,1|2,0,0]=4 4302 B21R3.6681832 Fc1cccc2c1cc(cc2)OCc3ccncc3 7a_100000091619_100015193705 [0,1,0,0,0,1|2,0,0]=4 4303 B21R3.6681832 Fc1cccc2c1nc(cc2)SCc3ccncc3 62a_100015193705_100012017632 [0,1,0,0,0,1|2,0,0]=4 4304 B21R3.6681832 Nc1cccc2c1cc(cc2)OCc3ccncc3 7a_100000034012_100015193705 [0,1,0,0,0,1|2,0,0]=4 4305 B21R3.6681832 Nc1cccc2c1cc(cc2)SCc3ccncc3 62a_100010090012_100015193705 [0,1,0,0,0,1|2,0,0]=4 4306 B21R3.6681832 Nc1cccc2c1cc(cc2)SCc3ccncc3 62a_100015193705_100010090012 [0,1,0,0,0,1|2,0,0]=4 4307 B21R3.6681832 Nc1cccc2c1cc(cn2)SCc3ccncc3 62a_100010264086_100015193705 [0,1,0,0,0,1|1,0,1]=4 4308 B21R3.6681832 Nc1cccc2c1cc(cn2)SCc3ccncc3 62a_100015193705_100010264086 [0,1,0,0,0,1|1,0,1]=4 4309 B21R3.6681832 Oc1cccc2c1cc(cc2)SCc3ccncc3 62a_100015193705_100010089991 [0,1,0,0,0,1|2,0,0]=4 4310 B21R3.6681832 Oc1cccc2c1cc(cn2)SCc3ccncc3 62a_100015193705_200010153752 [0,1,0,0,0,1|1,0,1]=4 4311 B21R3.6681832 Oc1cccc2c1nc(cc2)NCc3ccncc3 27a_100000210450_100010153751 [0,1,0,0,0,1|2,0,0]=4 4312 B21R3.6681832 Oc1cccc2c1nc(cc2)SCc3ccncc3 62a_100015193705_100000013812 [0,1,0,0,0,1|2,0,0]=4 4313 B21R3.8284 Cc1cnccc1CC(=O)C2=CCc3c2cccc3 1458a_100000037392_100020672808 [0,2,0,0,0,0|1,0,1]=4 4314 B21R3.8284 O=C(Cc1ccncc1Cl)C2=CCc3c2cccc3 1458a_100000037392_100000763264 [0,2,0,0,0,0|1,0,1]=4 4315 B21R3.19566 CN(Cc1ccncc1)C2C(=O)Nc3c2cccc3 269982a_100000187231_200009996675 [0,2,0,0,0,0|1,0,1]=4 4316 B21R3.21581 Cc1cc(ccn1)CC(=O)C2=CCc3c2cccc3 1458a_100000037392_200020672517 [0,2,0,0,0,0|1,0,1]=4 4317 B21R3.21581 O=C(Cc1ccnc(c1)Br)C2=CCc3c2cccc3 1458a_100000037392_100010243470 [0,2,0,0,0,0|1,0,1]=4 4318 B21R3.21581 O=C(Cc1ccnc(c1)Cl)C2=CCc3c2cccc3 1458a_100000037392_100000764220 [0,2,0,0,0,0|1,0,1]=4 4319 B21R3.8415 CC(Cc1n[nH]c2c1ccc(c2)Br)c3ccccc3 271570a_100000062452_100010186045 [0,2,0,0,0,0|2,0,0]=4 4320 B21R3.8415 CC(Cc1n[nH]c2c1ccc(c2)Cl)c3ccccc3 271570a_100000062452_100000049627 [0,2,0,0,0,0|2,0,0]=4 4321 B21R3.8415 CC(Cc1n[nH]c2c1ccc(c2)F)c3ccccc3 271570a_100000062452_100000049990 [0,2,0,0,0,0|2,0,0]=4 4322 B21R3.8415 CC(Cc1n[nH]c2c1ccc(c2)N)c3ccccc3 271570a_100000062452_100009816878 [0,2,0,0,0,0|2,0,0]=4 4323 B21R3.8415 Cc1ccc2c(n[nH]c2c1)CC(C)c3ccccc3 271570a_100000062452_100000049534 [0,2,0,0,0,0|2,0,0]=4 4324 B21R3.19579 Cc1oc2ccccc2c1CC(C)c3ccccc3 271570a_100000062452_200010236113 [0,2,0,0,0,0|2,0,0]=4 4325 B21R3.19579 Cc1sc2ccccc2c1CC(C)c3ccccc3 271570a_100000062452_100010002616 [0,2,0,0,0,0|2,0,0]=4 4326 B21R3.237377 CC(Cc1c[nH]c2c1cc(cn2)F)c3ccccc3 271570a_100000062452_100010168383 [0,2,0,0,0,0|2,0,0]=4 4327 B21R3.237377 CC(Cc1csc2c1cc(cc2)N)c3ccccc3 271570a_100000062452_100011178648 [0,2,0,0,0,0|2,0,0]=4 4328 B21R3.237377 CC(Cc1n[nH]c2c1cc(cc2)Br)c3ccccc3 271570a_100000062452_100010186058 [0,2,0,0,0,0|2,0,0]=4 4329 B21R3.237377 CC(Cc1n[nH]c2c1cc(cc2)Cl)c3ccccc3 271570a_100000062452_100010174404 [0,2,0,0,0,0|2,0,0]=4 4330 B21R3.237377 CC(Cc1n[nH]c2c1cc(cc2)F)c3ccccc3 271570a_100000062452_100011934747 [0,2,0,0,0,0|2,0,0]=4 4331 B21R3.237377 CC(Cc1n[nH]c2c1cc(cc2)N)c3ccccc3 271570a_100000062452_100012353729 [0,2,0,0,0,0|2,0,0]=4 4332 B21R3.237377 Cc1ccc2[nH]nc(c2c1)CC(C)c3ccccc3 271570a_100000062452_100000123028 [0,2,0,0,0,0|2,0,0]=4 4333 B21R3.237377 Cc1cnc2[nH]cc(c2c1)CC(C)c3ccccc3 271570a_100000062452_100010246215 [0,2,0,0,0,0|2,0,0]=4 4334 B21R3.398289 CC(Cc1n[nH]c2c1cccc2Br)c3ccccc3 271570a_100000062452_100010197283 [0,2,0,0,0,0|2,0,0]=4 4335 B21R3.398289 CC(Cc1n[nH]c2c1cccc2Cl)c3ccccc3 271570a_100000062452_100000050086 [0,2,0,0,0,0|2,0,0]=4 4336 B21R3.398289 CC(Cc1n[nH]c2c1cccc2F)c3ccccc3 271570a_100000062452_100010231504 [0,2,0,0,0,0|2,0,0]=4 4337 B21R3.398289 CC(Cc1n[nH]c2c1cccc2N)c3ccccc3 271570a_100000062452_100009888981 [0,2,0,0,0,0|2,0,0]=4 4338 B21R3.398289 CC(Cc1n[nH]c2c1cccc2O)c3ccccc3 271570a_100000062452_200010988877 [0,2,0,0,0,0|2,0,0]=4 4339 B21R3.398289 Cc1cccc2c1[nH]nc2CC(C)c3ccccc3 271570a_100000062452_100010186057 [0,2,0,0,0,0|2,0,0]=4 4340 B21R3.398559 CC(Cc1c[nH]c2c1c(ccn2)Br)c3ccccc3 271570a_100000062452_100010212587 [0,2,0,0,0,0|2,0,0]=4 4341 B21R3.398559 CC(Cc1c[nH]c2c1c(ccn2)F)c3ccccc3 271570a_100000062452_100010168365 [0,2,0,0,0,0|2,0,0]=4 4342 B21R3.398559 CC(Cc1c[nH]c2c1c(ncc2)O)c3ccccc3 271570a_100000062452_100010168626 [0,2,0,0,0,0|2,0,0]=4 4343 B21R3.398559 CC(Cc1n[nH]c2c1c(ccc2)Br)c3ccccc3 271570a_100000062452_100010186043 [0,2,0,0,0,0|2,0,0]=4 4344 B21R3.398559 CC(Cc1n[nH]c2c1c(ccc2)Cl)c3ccccc3 271570a_100000062452_100000049730 [0,2,0,0,0,0|2,0,0]=4 4345 B21R3.398559 CC(Cc1n[nH]c2c1c(ccc2)F)c3ccccc3 271570a_100000062452_100000049989 [0,2,0,0,0,0|2,0,0]=4 4346 B21R3.398559 CC(Cc1n[nH]c2c1c(ccc2)N)c3ccccc3 271570a_100000062452_100010186038 [0,2,0,0,0,0|2,0,0]=4 4347 B21R3.398559 Cc1cccc2c1c(n[nH]2)CC(C)c3ccccc3 271570a_100000062452_100000049903 [0,2,0,0,0,0|2,0,0]=4 4348 B21R3.4959518 CC(Cc1cn(c2c1cccn2)C)c3ccccc3 271570a_100000062452_100010205794 [0,2,0,0,0,0|2,0,0]=4 4349 B21R3.4959518 CC(Cc1nn(c2c1cccc2)C)c3ccccc3 271570a_100000062452_100009817141 [0,2,0,0,0,0|2,0,0]=4 4350 B21R3.4571 COc1cc2[nH]cc(c2cn1)SCc3ccncc3 62a_100015193705_200010168631 [0,2,0,0,0,0|2,0,0]=4 4351 B21R3.4571 COc1ccc2c(n[nH]c2c1)SCc3ccncc3 62a_100015193705_100000049672 [0,2,0,0,0,0|2,0,0]=4 4352 B21R3.4571 COc1cnc2c(c[nH]c2c1)SCc3ccncc3 62a_100015193705_200010168573 [0,2,0,0,0,0|2,0,0]=4 4353 B21R3.4571 N#Cc1ccc2c(c[nH]c2c1)SCc3ccccc3 62a_100000211182_200014310816 [0,2,0,0,0,0|2,0,0]=4 4354 B21R3.4571 N#Cc1ccc2c(c[nH]c2c1)SCc3ccncc3 62a_100015193705_200014310816 [0,2,0,0,0,0|1,0,0]=3 4355 B21R3.4571 N#Cc1ccc2c(n[nH]c2c1)SCc3ccncc3 62a_100015193705_100010232206 [0,2,0,0,0,0|2,0,0]=4 4356 B21R3.4571 O=Cc1ccc2c(c[nH]c2c1)SCc3ccccc3 62a_100000211182_200010296436 [0,2,0,0,0,0|2,0,0]=4 4357 B21R3.4571 O=Cc1ccc2c(c[nH]c2c1)SCc3ccncc3 62a_100015193705_200010296436 [0,2,0,0,0,0|1,0,0]=3 4358 B21R3.4571 O=Cc1ccc2c(n[nH]c2c1)SCc3ccncc3 62a_100015193705_100010231508 [0,2,0,0,0,0|2,0,0]=4 4359 B21R3.8525 Cc1ccc2c(c1)NC(=O)C2=NNc3ccncc3 4a_100000698918_200000027159 [0,2,0,0,0,0|2,0,0]=4 4360 B21R3.8525 O=C1Nc2cc(ccc2C1=NNc3ccncc3)Br 4a_100000698918_100000239657 [0,2,0,0,0,0|2,0,0]=4 4361 B21R3.8525 O=C1Nc2cc(ccc2C1=NNc3ccncc3)Cl 4a_100000698918_100000741123 [0,2,0,0,0,0|2,0,0]=4 4362 B21R3.8525 O=C1Nc2cc(ccc2C1=NNc3ccncc3)F 4a_100000698918_100000212334 [0,2,0,0,0,0|2,0,0]=4 4363 B21R3.8525 O=C1Nc2cc(ccc2C1=NNc3ccncc3)I 4a_100000698918_100000049690 [0,2,0,0,0,0|2,0,0]=4 4364 B21R3.162360 Cc1ccc2c(n[nH]c2c1)SCc3ccncc3C 62a_100020672808_100000049534 [0,2,0,0,0,0|2,0,0]=4 4365 B21R3.162360 Cc1ccc2c(n[nH]c2c1)SCc3ccncc3Cl 62a_100000763264_100000049534 [0,2,0,0,0,0|2,0,0]=4 4366 B21R3.162360 Cc1cnccc1CSc2c[nH]c3c2ccc(n3)Cl 62a_100020672808_100010168512 [0,2,0,0,0,0|2,0,0]=4 4367 B21R3.162360 Cc1cnccc1CSc2c[nH]c3c2ccc(n3)F 62a_100020672808_100010168364 [0,2,0,0,0,0|2,0,0]=4 4368 B21R3.162360 Cc1cnccc1CSc2c[nH]c3c2cnc(c3)Br 62a_100010206817_100020672808 [0,2,0,0,0,0|2,0,0]=4 4369 B21R3.162360 Cc1cnccc1CSc2c[nH]c3c2cnc(c3)Br 62a_100020672808_100010206817 [0,2,0,0,0,0|2,0,0]=4 4370 B21R3.162360 Cc1cnccc1CSc2c[nH]c3c2cnc(c3)Cl 62a_100020672808_100010206812 [0,2,0,0,0,0|2,0,0]=4 4371 B21R3.162360 Cc1cnccc1CSc2c[nH]c3c2ncc(c3)Br 62a_100010208019_100020672808 [0,2,0,0,0,0|2,0,0]=4 4372 B21R3.162360 Cc1cnccc1CSc2c[nH]c3c2ncc(c3)Br 62a_100020672808_100010208019 [0,2,0,0,0,0|2,0,0]=4 4373 B21R3.162360 Cc1cnccc1CSc2n[nH]c3c2ccc(c3)Br 62a_100010186045_100020672808 [0,2,0,0,0,0|2,0,0]=4 4374 B21R3.162360 Cc1cnccc1CSc2n[nH]c3c2ccc(c3)Br 62a_100020672808_100010186045 [0,2,0,0,0,0|2,0,0]=4 4375 B21R3.162360 Cc1cnccc1CSc2n[nH]c3c2ccc(c3)Cl 62a_100020672808_100000049627 [0,2,0,0,0,0|2,0,0]=4 4376 B21R3.162360 Cc1cnccc1CSc2n[nH]c3c2ccc(c3)F 62a_100020672808_100000049990 [0,2,0,0,0,0|2,0,0]=4 4377 B21R3.162360 Cc1cnccc1CSc2n[nH]c3c2ccc(c3)N 62a_100020672808_100009816878 [0,2,0,0,0,0|2,0,0]=4 4378 B21R3.162360 Clc1cc2[nH]cc(c2cn1)SCc3ccncc3Cl 62a_100000763264_100010206812 [0,2,0,0,0,0|2,0,0]=4 4379 B21R3.162360 Clc1ccc2c(c[nH]c2n1)SCc3ccncc3Cl 62a_100000763264_100010168512 [0,2,0,0,0,0|2,0,0]=4 4380 B21R3.162360 Clc1ccc2c(n[nH]c2c1)SCc3ccncc3Cl 62a_100000763264_100000049627 [0,2,0,0,0,0|2,0,0]=4 4381 B21R3.162360 Clc1cnccc1CSc2c[nH]c3c2cnc(c3)Br 62a_100000763264_100010206817 [0,2,0,0,0,0|2,0,0]=4 4382 B21R3.162360 Clc1cnccc1CSc2c[nH]c3c2cnc(c3)Br 62a_100010206817_100000763264 [0,2,0,0,0,0|2,0,0]=4 4383 B21R3.162360 Clc1cnccc1CSc2c[nH]c3c2ncc(c3)Br 62a_100000763264_100010208019 [0,2,0,0,0,0|2,0,0]=4 4384 B21R3.162360 Clc1cnccc1CSc2c[nH]c3c2ncc(c3)Br 62a_100010208019_100000763264 [0,2,0,0,0,0|2,0,0]=4 4385 B21R3.162360 Clc1cnccc1CSc2n[nH]c3c2ccc(c3)Br 62a_100000763264_100010186045 [0,2,0,0,0,0|2,0,0]=4 4386 B21R3.162360 Clc1cnccc1CSc2n[nH]c3c2ccc(c3)Br 62a_100010186045_100000763264 [0,2,0,0,0,0|2,0,0]=4 4387 B21R3.162360 Fc1ccc2c(c[nH]c2n1)SCc3ccncc3Cl 62a_100000763264_100010168364 [0,2,0,0,0,0|2,0,0]=4 4388 B21R3.162360 Fc1ccc2c(n[nH]c2c1)SCc3ccncc3Cl 62a_100000763264_100000049990 [0,2,0,0,0,0|2,0,0]=4 4389 B21R3.162360 Nc1ccc2c(n[nH]c2c1)SCc3ccncc3Cl 62a_100000763264_100009816878 [0,2,0,0,0,0|2,0,0]=4 4390 B21R3.198313 Cc1cc2[nH]nc(c2cc1Br)SCc3ccncc3 62a_100015193705_200015481476 [0,2,0,0,0,0|2,0,0]=4 4391 B21R3.198313 Cc1cc2[nH]nc(c2cc1Br)SCc3ccncc3 62a_200015481476_100015193705 [0,2,0,0,0,0|2,0,0]=4 4392 B21R3.198313 Cc1cc2[nH]nc(c2cc1N)SCc3ccncc3 62a_100015193705_100010199655 [0,2,0,0,0,0|2,0,0]=4 4393 B21R3.198313 Clc1cc2[nH]nc(c2cc1Br)SCc3ccncc3 62a_100015193705_100025705592 [0,2,0,0,0,0|2,0,0]=4 4394 B21R3.198313 Clc1cc2[nH]nc(c2cc1Br)SCc3ccncc3 62a_100025705592_100015193705 [0,2,0,0,0,0|2,0,0]=4 4395 B21R3.198313 Clc1cc2[nH]nc(c2cc1Cl)SCc3ccncc3 62a_100015193705_100010977401 [0,2,0,0,0,0|2,0,0]=4 4396 B21R3.198313 Fc1cc2[nH]nc(c2cc1Br)SCc3ccncc3 62a_100010170943_100015193705 [0,2,0,0,0,0|2,0,0]=4 4397 B21R3.198313 Fc1cc2[nH]nc(c2cc1Br)SCc3ccncc3 62a_100015193705_100010170943 [0,2,0,0,0,0|2,0,0]=4 4398 B21R3.198313 Fc1cc2c(n[nH]c2cc1Br)SCc3ccncc3 62a_100010144800_100015193705 [0,2,0,0,0,0|2,0,0]=4 4399 B21R3.198313 Fc1cc2c(n[nH]c2cc1Br)SCc3ccncc3 62a_100015193705_100010144800 [0,2,0,0,0,0|2,0,0]=4 4400 B21R3.246731 Clc1cc(c2c(c[nH]c2c1)CNc3ccccc3)Br 270302a_100000106764_100015724453 [0,2,0,0,0,0|2,0,0]=4 4401 B21R3.246731 Clc1cc(c2c(n[nH]c2c1)SCc3ccncc3)Cl 62a_100015193705_200010186120 [0,2,0,0,0,0|2,0,0]=4 4402 B21R3.246731 Clc1cc(cc2c1c(n[nH]2)SCc3ccncc3)Br 62a_100015193705_100010186188 [0,2,0,0,0,0|2,0,0]=4 4403 B21R3.246731 Fc1cc(cc2c1c(n[nH]2)SCc3ccncc3)Cl 62a_100015193705_100000049905 [0,2,0,0,0,0|2,0,0]=4 4404 B21R3.437300 Cc1ccc2c(nn(c2c1)C)SCc3ccncc3 62a_100015193705_100010073239 [0,2,0,0,0,0|2,0,0]=4 4405 B21R3.437300 Cn1nc(c2c1cc(cc2)Br)SCc3ccncc3 62a_100010161269_100015193705 [0,2,0,0,0,0|2,0,0]=4 4406 B21R3.437300 Cn1nc(c2c1cc(cc2)Br)SCc3ccncc3 62a_100015193705_100010161269 [0,2,0,0,0,0|2,0,0]=4 4407 B21R3.437300 Cn1nc(c2c1cc(cc2)F)SCc3ccncc3 62a_100010161261_100015193705 [0,2,0,0,0,0|2,0,0]=4 4408 B21R3.437300 Cn1nc(c2c1cc(cc2)F)SCc3ccncc3 62a_100015193705_100010161261 [0,2,0,0,0,0|2,0,0]=4 4409 B21R3.437300 Cn1nc(c2c1cc(cc2)N)SCc3ccncc3 62a_100010163569_100015193705 [0,2,0,0,0,0|2,0,0]=4 4410 B21R3.437300 Cn1nc(c2c1cc(cc2)N)SCc3ccncc3 62a_100015193705_100010163569 [0,2,0,0,0,0|2,0,0]=4 4411 B21R3.3821114 Brc1cc(ccn1)CSc2c[nH]c3c2cnc(c3)Br 62a_100010206817_100010243470 [0,2,0,0,0,0|2,0,0]=4 4412 B21R3.3821114 Brc1cc(ccn1)CSc2c[nH]c3c2cnc(c3)Br 62a_100010254460_100010206817 [0,2,0,0,0,0|2,0,0]=4 4413 B21R3.3821114 Brc1ccc2c(n[nH]c2c1)SCc3ccnc(c3)Br 62a_100010186045_100010243470 [0,2,0,0,0,0|2,0,0]=4 4414 B21R3.3821114 Brc1ccc2c(n[nH]c2c1)SCc3ccnc(c3)Br 62a_100010254460_100010186045 [0,2,0,0,0,0|2,0,0]=4 4415 B21R3.3821114 Brc1cnc2c(c[nH]c2c1)SCc3ccnc(c3)Br 62a_100010208019_100010243470 [0,2,0,0,0,0|2,0,0]=4 4416 B21R3.3821114 Brc1cnc2c(c[nH]c2c1)SCc3ccnc(c3)Br 62a_100010254460_100010208019 [0,2,0,0,0,0|2,0,0]=4 4417 B21R3.3821114 Cc1cc(ccn1)CSc2c[nH]c3c2ccc(n3)Cl 62a_200020672517_100010168512 [0,2,0,0,0,0|2,0,0]=4 4418 B21R3.3821114 Cc1cc(ccn1)CSc2c[nH]c3c2ccc(n3)F 62a_200020672517_100010168364 [0,2,0,0,0,0|2,0,0]=4 4419 B21R3.3821114 Cc1cc(ccn1)CSc2c[nH]c3c2cnc(c3)Br 62a_100010206817_200020672517 [0,2,0,0,0,0|2,0,0]=4 4420 B21R3.3821114 Cc1cc(ccn1)CSc2c[nH]c3c2cnc(c3)Br 62a_200020672517_100010206817 [0,2,0,0,0,0|2,0,0]=4 4421 B21R3.3821114 Cc1cc(ccn1)CSc2c[nH]c3c2cnc(c3)Cl 62a_200020672517_100010206812 [0,2,0,0,0,0|2,0,0]=4 4422 B21R3.3821114 Cc1cc(ccn1)CSc2c[nH]c3c2ncc(c3)Br 62a_100010208019_200020672517 [0,2,0,0,0,0|2,0,0]=4 4423 B21R3.3821114 Cc1cc(ccn1)CSc2c[nH]c3c2ncc(c3)Br 62a_200020672517_100010208019 [0,2,0,0,0,0|2,0,0]=4 4424 B21R3.3821114 Cc1cc(ccn1)CSc2n[nH]c3c2ccc(c3)Br 62a_100010186045_200020672517 [0,2,0,0,0,0|2,0,0]=4 4425 B21R3.3821114 Cc1cc(ccn1)CSc2n[nH]c3c2ccc(c3)Br 62a_200020672517_100010186045 [0,2,0,0,0,0|2,0,0]=4 4426 B21R3.3821114 Cc1cc(ccn1)CSc2n[nH]c3c2ccc(c3)Cl 62a_200020672517_100000049627 [0,2,0,0,0,0|2,0,0]=4 4427 B21R3.3821114 Cc1cc(ccn1)CSc2n[nH]c3c2ccc(c3)F 62a_200020672517_100000049990 [0,2,0,0,0,0|2,0,0]=4 4428 B21R3.3821114 Cc1cc(ccn1)CSc2n[nH]c3c2ccc(c3)N 62a_200020672517_100009816878 [0,2,0,0,0,0|2,0,0]=4 4429 B21R3.3821114 Cc1ccc2c(n[nH]c2c1)SCc3ccnc(c3)Br 62a_100010254460_100000049534 [0,2,0,0,0,0|2,0,0]=4 4430 B21R3.3821114 Cc1ccc2c(n[nH]c2c1)SCc3ccnc(c3)C 62a_200020672517_100000049534 [0,2,0,0,0,0|2,0,0]=4 4431 B21R3.3821114 Cc1ccc2c(n[nH]c2c1)SCc3ccnc(c3)Cl 62a_100000764220_100000049534 [0,2,0,0,0,0|2,0,0]=4 4432 B21R3.3821114 Clc1cc(ccn1)CSc2c[nH]c3c2ccc(n3)Cl 62a_100000764220_100010168512 [0,2,0,0,0,0|2,0,0]=4 4433 B21R3.3821114 Clc1cc(ccn1)CSc2c[nH]c3c2cnc(c3)Br 62a_100000764220_100010206817 [0,2,0,0,0,0|2,0,0]=4 4434 B21R3.3821114 Clc1cc(ccn1)CSc2c[nH]c3c2cnc(c3)Br 62a_100010206817_100000764220 [0,2,0,0,0,0|2,0,0]=4 4435 B21R3.3821114 Clc1cc(ccn1)CSc2c[nH]c3c2cnc(c3)Cl 62a_100000764220_100010206812 [0,2,0,0,0,0|2,0,0]=4 4436 B21R3.3821114 Clc1cc(ccn1)CSc2c[nH]c3c2ncc(c3)Br 62a_100000764220_100010208019 [0,2,0,0,0,0|2,0,0]=4 4437 B21R3.3821114 Clc1cc(ccn1)CSc2c[nH]c3c2ncc(c3)Br 62a_100010208019_100000764220 [0,2,0,0,0,0|2,0,0]=4 4438 B21R3.3821114 Clc1cc(ccn1)CSc2n[nH]c3c2ccc(c3)Br 62a_100000764220_100010186045 [0,2,0,0,0,0|2,0,0]=4 4439 B21R3.3821114 Clc1cc(ccn1)CSc2n[nH]c3c2ccc(c3)Br 62a_100010186045_100000764220 [0,2,0,0,0,0|2,0,0]=4 4440 B21R3.3821114 Clc1cc2[nH]cc(c2cn1)SCc3ccnc(c3)Br 62a_100010254460_100010206812 [0,2,0,0,0,0|2,0,0]=4 4441 B21R3.3821114 Clc1ccc2c(c[nH]c2n1)SCc3ccnc(c3)Br 62a_100010254460_100010168512 [0,2,0,0,0,0|2,0,0]=4 4442 B21R3.3821114 Clc1ccc2c(n[nH]c2c1)SCc3ccnc(c3)Br 62a_100010254460_100000049627 [0,2,0,0,0,0|2,0,0]=4 4443 B21R3.3821114 Clc1ccc2c(n[nH]c2c1)SCc3ccnc(c3)Cl 62a_100000764220_100000049627 [0,2,0,0,0,0|2,0,0]=4 4444 B21R3.3821114 Fc1ccc2c(c[nH]c2n1)SCc3ccnc(c3)Br 62a_100010254460_100010168364 [0,2,0,0,0,0|2,0,0]=4 4445 B21R3.3821114 Fc1ccc2c(c[nH]c2n1)SCc3ccnc(c3)Cl 62a_100000764220_100010168364 [0,2,0,0,0,0|2,0,0]=4 4446 B21R3.3821114 Fc1ccc2c(n[nH]c2c1)SCc3ccnc(c3)Br 62a_100010254460_100000049990 [0,2,0,0,0,0|2,0,0]=4 4447 B21R3.3821114 Fc1ccc2c(n[nH]c2c1)SCc3ccnc(c3)Cl 62a_100000764220_100000049990 [0,2,0,0,0,0|2,0,0]=4 4448 B21R3.3821114 Nc1ccc2c(n[nH]c2c1)SCc3ccnc(c3)Br 62a_100010254460_100009816878 [0,2,0,0,0,0|2,0,0]=4 4449 B21R3.3821114 Nc1ccc2c(n[nH]c2c1)SCc3ccnc(c3)Cl 62a_100000764220_100009816878 [0,2,0,0,0,0|2,0,0]=4 4450 B21R3.7968 Cc1c(ccnc1Cl)SCc2csc3c2cccc3 62a_100000047055_200000742921 [0,2,0,0,0,0|2,0,0]=4 4451 B21R3.7968 Cc1c(ccnc1Cl)SCc2csc3c2cccc3 62a_200000742921_100000047055 [0,2,0,0,0,0|2,0,0]=4 4452 B21R3.7968 Cc1c(ccnc1F)NCc2csc3c2cccc3 27a_100000744611_100010006593 [0,2,0,0,0,0|2,0,0]=4 4453 B21R3.7968 Cc1c(ccnc1F)SCc2csc3c2cccc3 62a_100010006593_200000742921 [0,2,0,0,0,0|2,0,0]=4 4454 B21R3.7968 Cc1c(ccnc1F)SCc2csc3c2cccc3 62a_200000742921_100010006593 [0,2,0,0,0,0|2,0,0]=4 4455 B21R3.7968 Cc1c(ccnc1N)SCc2csc3c2cccc3 62a_100009865460_200000742921 [0,2,0,0,0,0|2,0,0]=4 4456 B21R3.7968 Cc1c(ccnc1N)SCc2csc3c2cccc3 62a_200000742921_100009865460 [0,2,0,0,0,0|2,0,0]=4 4457 B21R3.7968 Cc1c(ccnc1O)SCc2csc3c2cccc3 62a_100009858498_200000742921 [0,2,0,0,0,0|2,0,0]=4 4458 B21R3.7968 Cc1c(ccnc1O)SCc2csc3c2cccc3 62a_200000742921_100009858498 [0,2,0,0,0,0|2,0,0]=4 4459 B21R3.7968 Cc1nccc(c1C)SCc2csc3c2cccc3 62a_100009846815_200000742921 [0,2,0,0,0,0|2,0,0]=4 4460 B21R3.7968 Cc1nccc(c1C)SCc2csc3c2cccc3 62a_200000742921_100009846815 [0,2,0,0,0,0|2,0,0]=4 4461 B21R3.7968 Cc1nccc(c1Cl)NCc2csc3c2cccc3 27a_100000744611_100000698670 [0,2,0,0,0,0|2,0,0]=4 4462 B21R3.7968 Cc1nccc(c1Cl)SCc2csc3c2cccc3 62a_100000698670_200000742921 [0,2,0,0,0,0|2,0,0]=4 4463 B21R3.7968 Cc1nccc(c1Cl)SCc2csc3c2cccc3 62a_200000742921_100000698670 [0,2,0,0,0,0|2,0,0]=4 4464 B21R3.7968 Cc1nccc(c1F)NCc2csc3c2cccc3 27a_100000744611_100009849794 [0,2,0,0,0,0|2,0,0]=4 4465 B21R3.7968 Cc1nccc(c1F)SCc2csc3c2cccc3 62a_100009849794_200000742921 [0,2,0,0,0,0|2,0,0]=4 4466 B21R3.7968 Cc1nccc(c1F)SCc2csc3c2cccc3 62a_200000742921_100009849794 [0,2,0,0,0,0|2,0,0]=4 4467 B21R3.7968 Cc1nccc(c1N)SCc2csc3c2cccc3 62a_100009885578_200000742921 [0,2,0,0,0,0|2,0,0]=4 4468 B21R3.7968 Cc1nccc(c1N)SCc2csc3c2cccc3 62a_200000742921_100009885578 [0,2,0,0,0,0|2,0,0]=4 4469 B21R3.7968 Clc1nccc(c1Br)OCc2csc3c2cccc3 34a_100010136240_200000742921 [0,2,0,0,0,0|2,0,0]=4 4470 B21R3.7968 Clc1nccc(c1Cl)OCc2csc3c2cccc3 34a_100009860235_200000742921 [0,2,0,0,0,0|2,0,0]=4 4471 B21R3.7968 Clc1nccc(c1Cl)SCc2csc3c2cccc3 62a_100010246212_200000742921 [0,2,0,0,0,0|2,0,0]=4 4472 B21R3.7968 Clc1nccc(c1Cl)SCc2csc3c2cccc3 62a_200000742921_100010246212 [0,2,0,0,0,0|2,0,0]=4 4473 B21R3.7968 Fc1c(ccnc1Br)OCc2csc3c2cccc3 34a_100009876375_200000742921 [0,2,0,0,0,0|2,0,0]=4 4474 B21R3.7968 Fc1c(ccnc1Br)SCc2csc3c2cccc3 62a_200000742921_200015269031 [0,2,0,0,0,0|2,0,0]=4 4475 B21R3.7968 Fc1c(ccnc1Br)SCc2csc3c2cccc3 62a_200015269031_200000742921 [0,2,0,0,0,0|2,0,0]=4 4476 B21R3.7968 Fc1c(ccnc1Cl)OCc2csc3c2cccc3 34a_100009856406_200000742921 [0,2,0,0,0,0|2,0,0]=4 4477 B21R3.7968 Fc1c(ccnc1Cl)SCc2csc3c2cccc3 62a_100010150473_200000742921 [0,2,0,0,0,0|2,0,0]=4 4478 B21R3.7968 Fc1c(ccnc1Cl)SCc2csc3c2cccc3 62a_200000742921_100010150473 [0,2,0,0,0,0|2,0,0]=4 4479 B21R3.7968 Fc1nccc(c1Br)NCc2csc3c2cccc3 27a_100000744611_100010006599 [0,2,0,0,0,0|2,0,0]=4 4480 B21R3.7968 Fc1nccc(c1Br)SCc2csc3c2cccc3 62a_100010006599_200000742921 [0,2,0,0,0,0|2,0,0]=4 4481 B21R3.7968 Fc1nccc(c1Br)SCc2csc3c2cccc3 62a_200000742921_100010006599 [0,2,0,0,0,0|2,0,0]=4 4482 B21R3.7968 Fc1nccc(c1Cl)NCc2csc3c2cccc3 27a_100000744611_100010067886 [0,2,0,0,0,0|2,0,0]=4 4483 B21R3.7968 Fc1nccc(c1Cl)SCc2csc3c2cccc3 62a_100010067886_200000742921 [0,2,0,0,0,0|2,0,0]=4 4484 B21R3.7968 Fc1nccc(c1Cl)SCc2csc3c2cccc3 62a_200000742921_100010067886 [0,2,0,0,0,0|2,0,0]=4 4485 B21R3.7968 Fc1nccc(c1F)NCc2csc3c2cccc3 27a_100000744611_100010214882 [0,2,0,0,0,0|2,0,0]=4 4486 B21R3.7968 Fc1nccc(c1F)SCc2csc3c2cccc3 62a_100010214882_200000742921 [0,2,0,0,0,0|2,0,0]=4 4487 B21R3.7968 Fc1nccc(c1F)SCc2csc3c2cccc3 62a_200000742921_100010214882 [0,2,0,0,0,0|2,0,0]=4 4488 B21R3.7968 Nc1c(ccnc1Cl)OCc2csc3c2cccc3 34a_100000128729_200000742921 [0,2,0,0,0,0|2,0,0]=4 4489 B21R3.7968 Nc1nccc(c1Cl)SCc2csc3c2cccc3 62a_100010735111_200000742921 [0,2,0,0,0,0|2,0,0]=4 4490 B21R3.7968 Nc1nccc(c1Cl)SCc2csc3c2cccc3 62a_200000742921_100010735111 [0,2,0,0,0,0|2,0,0]=4 4491 B21R3.7968 Nc1nccc(c1F)SCc2csc3c2cccc3 62a_100010077785_200000742921 [0,2,0,0,0,0|2,0,0]=4 4492 B21R3.7968 Nc1nccc(c1F)SCc2csc3c2cccc3 62a_200000742921_100010077785 [0,2,0,0,0,0|2,0,0]=4 4493 B21R3.7968 Nc1nccc(c1N)SCc2csc3c2cccc3 62a_100000124095_200000742921 [0,2,0,0,0,0|2,0,0]=4 4494 B21R3.7968 Oc1c(ccnc1Cl)SCc2csc3c2cccc3 62a_200000742921_100010067911 [0,2,0,0,0,0|2,0,0]=4 4495 B21R3.34239 CCc1cnccc1SCc2csc3c2cccc3 62a_100025704421_200000742921 [0,2,0,0,0,0|2,0,0]=4 4496 B21R3.34239 CCc1cnccc1SCc2csc3c2cccc3 62a_200000742921_100025704421 [0,2,0,0,0,0|2,0,0]=4 4497 B21R3.34239 COc1cnccc1COc2csc3c2cccc3 7a_100000077758_100020635607 [0,2,0,0,0,0|2,0,0]=4 4498 B21R3.34239 COc1cnccc1CSc2c[nH]c3c2cccn3 62a_100020635607_100011934613 [0,2,0,0,0,0|2,0,0]=4 4499 B21R3.34239 COc1cnccc1CSc2c[nH]c3c2ccnc3 62a_100020635607_100010232032 [0,2,0,0,0,0|2,0,0]=4 4500 B21R3.34239 COc1cnccc1CSc2c[nH]c3c2cncc3 62a_100020635607_100000753697 [0,2,0,0,0,0|2,0,0]=4 4501 B21R3.34239 COc1cnccc1CSc2c[nH]c3c2nccc3 62a_100020635607_100009817151 [0,2,0,0,0,0|2,0,0]=4 4502 B21R3.34239 COc1cnccc1CSc2coc3c2cccc3 62a_100020635607_100009812202 [0,2,0,0,0,0|2,0,0]=4 4503 B21R3.34239 COc1cnccc1CSc2csc3c2cccc3 62a_100020635607_100009813928 [0,2,0,0,0,0|2,0,0]=4 4504 B21R3.34239 COc1cnccc1CSc2n[nH]c3c2cccc3 62a_100020635607_100000050141 [0,2,0,0,0,0|2,0,0]=4 4505 B21R3.34239 COc1cnccc1SCc2csc3c2cccc3 62a_100016988167_200000742921 [0,2,0,0,0,0|2,0,0]=4 4506 B21R3.34239 COc1cnccc1SCc2csc3c2cccc3 62a_200000742921_100016988167 [0,2,0,0,0,0|2,0,0]=4 4507 B21R3.34239 N#Cc1cnccc1NCc2csc3c2cccc3 27a_100000744611_100000687039 [0,2,0,0,0,0|2,0,0]=4 4508 B21R3.34239 N#Cc1cnccc1SCc2csc3c2cccc3 62a_200000742921_100000687039 [0,2,0,0,0,0|2,0,0]=4 4509 B21R3.34239 O=Cc1cnccc1SCc2csc3c2cccc3 62a_100000050567_200000742921 [0,2,0,0,0,0|2,0,0]=4 4510 B21R3.34239 O=Cc1cnccc1SCc2csc3c2cccc3 62a_200000742921_100000050567 [0,2,0,0,0,0|2,0,0]=4 4511 B21R3.34239 OCc1cnccc1NCc2csc3c2cccc3 27a_100000744611_100000117392 [0,2,0,0,0,0|2,0,0]=4 4512 B21R3.34239 OCc1cnccc1SCc2csc3c2cccc3 62a_100000117392_200000742921 [0,2,0,0,0,0|2,0,0]=4 4513 B21R3.34239 OCc1cnccc1SCc2csc3c2cccc3 62a_200000742921_100000117392 [0,2,0,0,0,0|2,0,0]=4 4514 B21R3.213570 Cc1cncc(c1SCc2csc3c2cccc3)C 62a_100009817138_200000742921 [0,2,0,0,0,0|2,0,0]=4 4515 B21R3.213570 Cc1cncc(c1SCc2csc3c2cccc3)C 62a_200000742921_100009817138 [0,2,0,0,0,0|2,0,0]=4 4516 B21R3.213570 Clc1cncc(c1COc2csc3c2cccc3)Cl 34a_100000077758_200009872113 [0,2,0,0,0,0|2,0,0]=4 4517 B21R3.213570 Clc1cncc(c1COc2csc3c2cccc3)Cl 7a_100000077758_200009872113 [0,2,0,0,0,0|2,0,0]=4 4518 B21R3.213570 Clc1cncc(c1CSc2c[nH]c3c2cccn3)Cl 62a_200009872113_100011934613 [0,2,0,0,0,0|2,0,0]=4 4519 B21R3.213570 Clc1cncc(c1CSc2c[nH]c3c2ccnc3)Cl 62a_200009872113_100010232032 [0,2,0,0,0,0|2,0,0]=4 4520 B21R3.213570 Clc1cncc(c1CSc2c[nH]c3c2cncc3)Cl 62a_200009872113_100000753697 [0,2,0,0,0,0|2,0,0]=4 4521 B21R3.213570 Clc1cncc(c1CSc2c[nH]c3c2nccc3)Cl 62a_200009872113_100009817151 [0,2,0,0,0,0|2,0,0]=4 4522 B21R3.213570 Clc1cncc(c1CSc2coc3c2cccc3)Cl 62a_200009872113_100009812202 [0,2,0,0,0,0|2,0,0]=4 4523 B21R3.213570 Clc1cncc(c1CSc2csc3c2cccc3)Cl 62a_200009872113_100009813928 [0,2,0,0,0,0|2,0,0]=4 4524 B21R3.213570 Clc1cncc(c1CSc2n[nH]c3c2cccc3)Cl 62a_200009872113_100000050141 [0,2,0,0,0,0|2,0,0]=4 4525 B21R3.213570 Clc1cncc(c1SCc2csc3c2cccc3)Cl 62a_100000036193_200000742921 [0,2,0,0,0,0|2,0,0]=4 4526 B21R3.213570 Clc1cncc(c1SCc2csc3c2cccc3)Cl 62a_200000742921_100000036193 [0,2,0,0,0,0|2,0,0]=4 4527 B21R3.213570 Fc1cncc(c1SCc2csc3c2cccc3)F 62a_100000760538_200000742921 [0,2,0,0,0,0|2,0,0]=4 4528 B21R3.213570 Fc1cncc(c1SCc2csc3c2cccc3)F 62a_200000742921_100000760538 [0,2,0,0,0,0|2,0,0]=4 4529 B21R3.218734 Cc1cccc2c1[nH]nc2SCc3ccncc3Cl 62a_100000763264_100010186057 [0,2,0,0,0,0|2,0,0]=4 4530 B21R3.218734 Cc1cnccc1CSc2c[nH]c3c2nccc3Cl 62a_100020672808_100010168581 [0,2,0,0,0,0|2,0,0]=4 4531 B21R3.218734 Cc1cnccc1CSc2n[nH]c3c2cccc3Br 62a_100020672808_100010197283 [0,2,0,0,0,0|2,0,0]=4 4532 B21R3.218734 Cc1cnccc1CSc2n[nH]c3c2cccc3C 62a_100020672808_100010186057 [0,2,0,0,0,0|2,0,0]=4 4533 B21R3.218734 Cc1cnccc1CSc2n[nH]c3c2cccc3Cl 62a_100020672808_100000050086 [0,2,0,0,0,0|2,0,0]=4 4534 B21R3.218734 Cc1cnccc1CSc2n[nH]c3c2cccc3F 62a_100020672808_100010231504 [0,2,0,0,0,0|2,0,0]=4 4535 B21R3.218734 Cc1cnccc1CSc2n[nH]c3c2cccc3N 62a_100020672808_100009888981 [0,2,0,0,0,0|2,0,0]=4 4536 B21R3.218734 Cc1cnccc1CSc2n[nH]c3c2cccc3O 62a_100020672808_200010988877 [0,2,0,0,0,0|2,0,0]=4 4537 B21R3.218734 Clc1cnccc1CSc2c[nH]c3c2nccc3Cl 62a_100000763264_100010168581 [0,2,0,0,0,0|2,0,0]=4 4538 B21R3.218734 Clc1cnccc1CSc2n[nH]c3c2cccc3Br 62a_100000763264_100010197283 [0,2,0,0,0,0|2,0,0]=4 4539 B21R3.218734 Clc1cnccc1CSc2n[nH]c3c2cccc3Cl 62a_100000763264_100000050086 [0,2,0,0,0,0|2,0,0]=4 4540 B21R3.218734 Fc1cccc2c1[nH]nc2SCc3ccncc3Cl 62a_100000763264_100010231504 [0,2,0,0,0,0|2,0,0]=4 4541 B21R3.218734 Nc1cccc2c1[nH]nc2SCc3ccncc3Cl 62a_100000763264_100009888981 [0,2,0,0,0,0|2,0,0]=4 4542 B21R3.218734 Oc1cccc2c1[nH]nc2SCc3ccncc3Cl 62a_100000763264_200010988877 [0,2,0,0,0,0|2,0,0]=4 4543 B21R3.442342 Cc1cnccc1CSc2cn(c3c2cccn3)C 62a_100020672808_100010205794 [0,2,0,0,0,0|2,0,0]=4 4544 B21R3.442342 Cc1cnccc1CSc2nn(c3c2cccc3)C 62a_100009817141_100020672808 [0,2,0,0,0,0|2,0,0]=4 4545 B21R3.442342 Cc1cnccc1CSc2nn(c3c2cccc3)C 62a_100020672808_100009817141 [0,2,0,0,0,0|2,0,0]=4 4546 B21R3.442342 Cc1cnccc1NCc2cn(c3c2cccc3)C 27a_100011997738_100000765111 [0,2,0,0,0,0|1,0,0]=3 4547 B21R3.442342 Cc1cnccc1NCc2nn(c3c2cccc3)C 27a_200011934655_100000765111 [0,2,0,0,0,0|2,0,0]=4 4548 B21R3.442342 Cc1cncnc1NCc2cn(c3c2cccc3)C 27a_100011997738_100011998708 [0,2,0,0,0,0|2,0,0]=4 4549 B21R3.442342 Cn1cc(c2c1cccc2)CNc3ccn[nH]c3=O 27a_100011997738_100000087129 [0,2,0,0,0,0|2,0,0]=4 4550 B21R3.442342 Cn1cc(c2c1cccc2)CNc3ccncc3Br 27a_100011997738_100000726257 [0,2,0,0,0,0|1,0,0]=3 4551 B21R3.442342 Cn1cc(c2c1cccc2)CNc3ccncc3F 27a_100011997738_100000035921 [0,2,0,0,0,0|1,0,0]=3 4552 B21R3.442342 Cn1cc(c2c1cccc2)CNc3ncncc3F 27a_100011997738_100000069762 [0,2,0,0,0,0|2,0,0]=4 4553 B21R3.442342 Cn1cc(c2c1cccc2)CNc3ncncc3N 27a_100011997738_100000709731 [0,2,0,0,0,0|2,0,0]=4 4554 B21R3.442342 Cn1cc(c2c1nccc2)SCc3ccncc3Cl 62a_100000763264_100010205794 [0,2,0,0,0,0|2,0,0]=4 4555 B21R3.442342 Cn1nc(c2c1cccc2)CNc3ccncc3Br 27a_200011934655_100000726257 [0,2,0,0,0,0|2,0,0]=4 4556 B21R3.442342 Cn1nc(c2c1cccc2)CNc3ccncc3F 27a_200011934655_100000035921 [0,2,0,0,0,0|2,0,0]=4 4557 B21R3.442342 Cn1nc(c2c1cccc2)SCc3ccncc3Cl 62a_100000763264_100009817141 [0,2,0,0,0,0|2,0,0]=4 4558 B21R3.442342 Cn1nc(c2c1cccc2)SCc3ccncc3Cl 62a_100009817141_100000763264 [0,2,0,0,0,0|2,0,0]=4 4559 B21R3.442558 Cc1[nH]c2ncccc2c1SCc3ccncc3Cl 62a_100000763264_100010174266 [0,2,0,0,0,0|2,0,0]=4 4560 B21R3.442558 Cc1cnccc1CSC2C(=O)Nc3c2cccc3 62a_100020672808_200009996675 [0,2,0,0,0,0|1,0,1]=4 4561 B21R3.442558 Cc1cnccc1CSc2c([nH]c3c2cccn3)C 62a_100020672808_100010174266 [0,2,0,0,0,0|2,0,0]=4 4562 B21R3.442558 Cc1cnccc1CSc2c(oc3c2cccc3)C 62a_100020672808_200010236113 [0,2,0,0,0,0|2,0,0]=4 4563 B21R3.442558 Cc1cnccc1CSc2c(sc3c2cccc3)C 62a_100010002616_100020672808 [0,2,0,0,0,0|2,0,0]=4 4564 B21R3.442558 Cc1cnccc1CSc2c(sc3c2cccc3)C 62a_100020672808_100010002616 [0,2,0,0,0,0|2,0,0]=4 4565 B21R3.442558 Cc1cnccc1NN=C2C(=O)Nc3c2cccc3 4a_100011935204_100000185742 [0,2,0,0,0,0|2,0,0]=4 4566 B21R3.442558 Cc1oc2ccccc2c1SCc3ccncc3Cl 62a_100000763264_200010236113 [0,2,0,0,0,0|2,0,0]=4 4567 B21R3.442558 Cc1sc2ccccc2c1SCc3ccncc3Cl 62a_100000763264_100010002616 [0,2,0,0,0,0|2,0,0]=4 4568 B21R3.442558 Cc1sc2ccccc2c1SCc3ccncc3Cl 62a_100010002616_100000763264 [0,2,0,0,0,0|2,0,0]=4 4569 B21R3.442558 O=C1Nc2ccccc2C1=NNc3ccncc3Br 4a_100013404636_100000185742 [0,2,0,0,0,0|2,0,0]=4 4570 B21R3.442558 O=C1Nc2ccccc2C1SCc3ccncc3Cl 62a_100000763264_200009996675 [0,2,0,0,0,0|1,0,1]=4 4571 B21R3.476618 Brc1cc(c(cn1)Br)NCc2csc3c2cccc3 27a_100000744611_100010171693 [0,2,0,0,0,0|2,0,0]=4 4572 B21R3.476618 Brc1cc(c(cn1)Br)OCc2csc3c2cccc3 34a_100010235016_200000742921 [0,2,0,0,0,0|2,0,0]=4 4573 B21R3.476618 Cc1cc(c(cn1)Br)OCc2csc3c2cccc3 34a_100011016184_200000742921 [0,2,0,0,0,0|2,0,0]=4 4574 B21R3.476618 Cc1cc(c(cn1)C)SCc2csc3c2cccc3 62a_100009862788_200000742921 [0,2,0,0,0,0|2,0,0]=4 4575 B21R3.476618 Cc1cc(c(cn1)C)SCc2csc3c2cccc3 62a_200000742921_100009862788 [0,2,0,0,0,0|2,0,0]=4 4576 B21R3.476618 Cc1cc(c(cn1)F)NCc2csc3c2cccc3 27a_100000744611_100009867690 [0,2,0,0,0,0|2,0,0]=4 4577 B21R3.476618 Cc1cc(c(cn1)F)SCc2csc3c2cccc3 62a_100009867690_200000742921 [0,2,0,0,0,0|2,0,0]=4 4578 B21R3.476618 Cc1cc(c(cn1)F)SCc2csc3c2cccc3 62a_200000742921_100009867690 [0,2,0,0,0,0|2,0,0]=4 4579 B21R3.476618 Cc1cc(c(cn1)O)SCc2csc3c2cccc3 62a_100009843476_200000742921 [0,2,0,0,0,0|2,0,0]=4 4580 B21R3.476618 Cc1cc(c(cn1)O)SCc2csc3c2cccc3 62a_200000742921_100009843476 [0,2,0,0,0,0|2,0,0]=4 4581 B21R3.476618 Cc1cnc(cc1NCc2csc3c2cccc3)F 27a_100000744611_100000049870 [0,2,0,0,0,0|2,0,0]=4 4582 B21R3.476618 Cc1cnc(cc1OCc2csc3c2cccc3)Br 34a_100000704368_200000742921 [0,2,0,0,0,0|2,0,0]=4 4583 B21R3.476618 Cc1cnc(cc1SCc2csc3c2cccc3)Br 62a_100010067628_200000742921 [0,2,0,0,0,0|2,0,0]=4 4584 B21R3.476618 Cc1cnc(cc1SCc2csc3c2cccc3)Br 62a_200000742921_100010067628 [0,2,0,0,0,0|2,0,0]=4 4585 B21R3.476618 Cc1cnc(cc1SCc2csc3c2cccc3)Cl 62a_100010068021_200000742921 [0,2,0,0,0,0|2,0,0]=4 4586 B21R3.476618 Cc1cnc(cc1SCc2csc3c2cccc3)Cl 62a_200000742921_100010068021 [0,2,0,0,0,0|2,0,0]=4 4587 B21R3.476618 Cc1cnc(cc1SCc2csc3c2cccc3)F 62a_100000049870_200000742921 [0,2,0,0,0,0|2,0,0]=4 4588 B21R3.476618 Cc1cnc(cc1SCc2csc3c2cccc3)F 62a_200000742921_100000049870 [0,2,0,0,0,0|2,0,0]=4 4589 B21R3.476618 Cc1cnc(cc1SCc2csc3c2cccc3)N 62a_100009819938_200000742921 [0,2,0,0,0,0|2,0,0]=4 4590 B21R3.476618 Cc1cnc(cc1SCc2csc3c2cccc3)N 62a_200000742921_100009819938 [0,2,0,0,0,0|2,0,0]=4 4591 B21R3.476618 Cc1cnc(cc1SCc2csc3c2cccc3)O 62a_100009831917_200000742921 [0,2,0,0,0,0|2,0,0]=4 4592 B21R3.476618 Cc1cnc(cc1SCc2csc3c2cccc3)O 62a_200000742921_100009831917 [0,2,0,0,0,0|2,0,0]=4 4593 B21R3.476618 Clc1cc(c(cn1)Br)OCc2csc3c2cccc3 34a_100010173860_200000742921 [0,2,0,0,0,0|2,0,0]=4 4594 B21R3.476618 Clc1cc(c(cn1)Cl)SCc2csc3c2cccc3 62a_100010172835_200000742921 [0,2,0,0,0,0|2,0,0]=4 4595 B21R3.476618 Clc1cc(c(cn1)Cl)SCc2csc3c2cccc3 62a_200000742921_100010172835 [0,2,0,0,0,0|2,0,0]=4 4596 B21R3.476618 Clc1cnc(cc1OCc2csc3c2cccc3)Br 34a_100010173861_200000742921 [0,2,0,0,0,0|2,0,0]=4 4597 B21R3.476618 Fc1cc(c(cn1)Cl)NCc2csc3c2cccc3 27a_100000744611_100009892587 [0,2,0,0,0,0|2,0,0]=4 4598 B21R3.476618 Fc1cc(c(cn1)Cl)SCc2csc3c2cccc3 62a_100009892587_200000742921 [0,2,0,0,0,0|2,0,0]=4 4599 B21R3.476618 Fc1cc(c(cn1)Cl)SCc2csc3c2cccc3 62a_200000742921_100009892587 [0,2,0,0,0,0|2,0,0]=4 4600 B21R3.476618 Fc1cc(c(cn1)F)NCc2csc3c2cccc3 27a_100000744611_100010233071 [0,2,0,0,0,0|2,0,0]=4 4601 B21R3.476618 Fc1cc(c(cn1)F)SCc2csc3c2cccc3 62a_100010233071_200000742921 [0,2,0,0,0,0|2,0,0]=4 4602 B21R3.476618 Fc1cc(c(cn1)F)SCc2csc3c2cccc3 62a_200000742921_100010233071 [0,2,0,0,0,0|2,0,0]=4 4603 B21R3.476618 Fc1cnc(cc1OCc2csc3c2cccc3)Br 34a_100009854642_200000742921 [0,2,0,0,0,0|2,0,0]=4 4604 B21R3.476618 Fc1cnc(cc1OCc2csc3c2cccc3)Cl 34a_100009851168_200000742921 [0,2,0,0,0,0|2,0,0]=4 4605 B21R3.476618 Fc1cnc(cc1SCc2csc3c2cccc3)Br 62a_100010193852_200000742921 [0,2,0,0,0,0|2,0,0]=4 4606 B21R3.476618 Fc1cnc(cc1SCc2csc3c2cccc3)Br 62a_200000742921_100010193852 [0,2,0,0,0,0|2,0,0]=4 4607 B21R3.476618 Fc1cnc(cc1SCc2csc3c2cccc3)Cl 62a_100000708277_200000742921 [0,2,0,0,0,0|2,0,0]=4 4608 B21R3.476618 Fc1cnc(cc1SCc2csc3c2cccc3)Cl 62a_200000742921_100000708277 [0,2,0,0,0,0|2,0,0]=4 4609 B21R3.476618 Nc1cc(c(cn1)Cl)SCc2csc3c2cccc3 62a_100010134119_200000742921 [0,2,0,0,0,0|2,0,0]=4 4610 B21R3.476618 Nc1cc(c(cn1)Cl)SCc2csc3c2cccc3 62a_200000742921_100010134119 [0,2,0,0,0,0|2,0,0]=4 4611 B21R3.476618 Nc1cc(c(cn1)F)SCc2csc3c2cccc3 62a_100015713587_200000742921 [0,2,0,0,0,0|2,0,0]=4 4612 B21R3.476618 Nc1cc(c(cn1)F)SCc2csc3c2cccc3 62a_200000742921_100015713587 [0,2,0,0,0,0|2,0,0]=4 4613 B21R3.476618 Nc1cnc(cc1SCc2csc3c2cccc3)Cl 62a_100000050123_200000742921 [0,2,0,0,0,0|2,0,0]=4 4614 B21R3.476618 Nc1cnc(cc1SCc2csc3c2cccc3)Cl 62a_200000742921_100000050123 [0,2,0,0,0,0|2,0,0]=4 4615 B21R3.476618 Oc1cnc(cc1SCc2csc3c2cccc3)Cl 62a_100000698892_200000742921 [0,2,0,0,0,0|2,0,0]=4 4616 B21R3.476618 Oc1cnc(cc1SCc2csc3c2cccc3)Cl 62a_200000742921_100000698892 [0,2,0,0,0,0|2,0,0]=4 4617 B21R3.3965817 Cc1cccc2c1c(n[nH]2)SCc3ccncc3Cl 62a_100000763264_100000049903 [0,2,0,0,0,0|2,0,0]=4 4618 B21R3.3965817 Cc1cnccc1CSc2c[nH]c3c2c(ccn3)Br 62a_100010212587_100020672808 [0,2,0,0,0,0|2,0,0]=4 4619 B21R3.3965817 Cc1cnccc1CSc2c[nH]c3c2c(ccn3)Br 62a_100020672808_100010212587 [0,2,0,0,0,0|2,0,0]=4 4620 B21R3.3965817 Cc1cnccc1CSc2c[nH]c3c2c(ccn3)Cl 62a_100020672808_100011356983 [0,2,0,0,0,0|2,0,0]=4 4621 B21R3.3965817 Cc1cnccc1CSc2c[nH]c3c2c(ccn3)F 62a_100020672808_100010168365 [0,2,0,0,0,0|2,0,0]=4 4622 B21R3.3965817 Cc1cnccc1CSc2n[nH]c3c2c(ccc3)Br 62a_100020672808_100010186043 [0,2,0,0,0,0|2,0,0]=4 4623 B21R3.3965817 Cc1cnccc1CSc2n[nH]c3c2c(ccc3)C 62a_100020672808_100000049903 [0,2,0,0,0,0|2,0,0]=4 4624 B21R3.3965817 Cc1cnccc1CSc2n[nH]c3c2c(ccc3)Cl 62a_100020672808_100000049730 [0,2,0,0,0,0|2,0,0]=4 4625 B21R3.3965817 Cc1cnccc1CSc2n[nH]c3c2c(ccc3)F 62a_100020672808_100000049989 [0,2,0,0,0,0|2,0,0]=4 4626 B21R3.3965817 Cc1cnccc1CSc2n[nH]c3c2c(ccc3)N 62a_100020672808_100010186038 [0,2,0,0,0,0|2,0,0]=4 4627 B21R3.3965817 Clc1cnccc1CSc2c[nH]c3c2c(ccn3)Br 62a_100000763264_100010212587 [0,2,0,0,0,0|2,0,0]=4 4628 B21R3.3965817 Clc1cnccc1CSc2c[nH]c3c2c(ccn3)Br 62a_100010212587_100000763264 [0,2,0,0,0,0|2,0,0]=4 4629 B21R3.3965817 Clc1cnccc1CSc2c[nH]c3c2c(ccn3)Cl 62a_100000763264_100011356983 [0,2,0,0,0,0|2,0,0]=4 4630 B21R3.3965817 Clc1cnccc1CSc2n[nH]c3c2c(ccc3)Br 62a_100000763264_100010186043 [0,2,0,0,0,0|2,0,0]=4 4631 B21R3.3965817 Clc1cnccc1CSc2n[nH]c3c2c(ccc3)Cl 62a_100000763264_100000049730 [0,2,0,0,0,0|2,0,0]=4 4632 B21R3.3965817 Fc1cccc2c1c(n[nH]2)SCc3ccncc3Cl 62a_100000763264_100000049989 [0,2,0,0,0,0|2,0,0]=4 4633 B21R3.3965817 Fc1ccnc2c1c(c[nH]2)SCc3ccncc3Cl 62a_100000763264_100010168365 [0,2,0,0,0,0|2,0,0]=4 4634 B21R3.3965817 Nc1cccc2c1c(n[nH]2)SCc3ccncc3Cl 62a_100000763264_100010186038 [0,2,0,0,0,0|2,0,0]=4 4635 B21R3.4794606 Cc1ccc2[nH]cc(c2n1)SCc3ccncc3C 62a_100020672808_100010212567 [0,2,0,0,0,0|2,0,0]=4 4636 B21R3.4794606 Cc1ccc2[nH]cc(c2n1)SCc3ccncc3Cl 62a_100000763264_100010212567 [0,2,0,0,0,0|2,0,0]=4 4637 B21R3.4794606 Cc1ccc2[nH]nc(c2c1)SCc3ccncc3C 62a_100020672808_100000123028 [0,2,0,0,0,0|2,0,0]=4 4638 B21R3.4794606 Cc1ccc2[nH]nc(c2c1)SCc3ccncc3Cl 62a_100000763264_100000123028 [0,2,0,0,0,0|2,0,0]=4 4639 B21R3.4794606 Cc1cnc2[nH]cc(c2c1)SCc3ccncc3C 62a_100020672808_100010246215 [0,2,0,0,0,0|2,0,0]=4 4640 B21R3.4794606 Cc1cnc2[nH]cc(c2c1)SCc3ccncc3Cl 62a_100000763264_100010246215 [0,2,0,0,0,0|2,0,0]=4 4641 B21R3.4794606 Cc1cnccc1CSc2c[nH]c3c2cc(cn3)Br 62a_100011290788_100020672808 [0,2,0,0,0,0|2,0,0]=4 4642 B21R3.4794606 Cc1cnccc1CSc2c[nH]c3c2cc(cn3)Br 62a_100020672808_100011290788 [0,2,0,0,0,0|2,0,0]=4 4643 B21R3.4794606 Cc1cnccc1CSc2c[nH]c3c2cc(cn3)Cl 62a_100020672808_100000050100 [0,2,0,0,0,0|2,0,0]=4 4644 B21R3.4794606 Cc1cnccc1CSc2c[nH]c3c2cc(cn3)F 62a_100020672808_100010168383 [0,2,0,0,0,0|2,0,0]=4 4645 B21R3.4794606 Cc1cnccc1CSc2c[nH]c3c2cc(cn3)N 62a_100020672808_100010168510 [0,2,0,0,0,0|2,0,0]=4 4646 B21R3.4794606 Cc1cnccc1CSc2c[nH]c3c2cc(nc3)Cl 62a_100020672808_100010168685 [0,2,0,0,0,0|2,0,0]=4 4647 B21R3.4794606 Cc1cnccc1CSc2c[nH]c3c2nc(cc3)Br 62a_100010168532_100020672808 [0,2,0,0,0,0|2,0,0]=4 4648 B21R3.4794606 Cc1cnccc1CSc2c[nH]c3c2nc(cc3)Br 62a_100020672808_100010168532 [0,2,0,0,0,0|2,0,0]=4 4649 B21R3.4794606 Cc1cnccc1CSc2c[nH]c3c2nc(cc3)Cl 62a_100020672808_100010168529 [0,2,0,0,0,0|2,0,0]=4 4650 B21R3.4794606 Cc1cnccc1CSc2csc3c2cc(cc3)N 62a_100011178648_100020672808 [0,2,0,0,0,0|2,0,0]=4 4651 B21R3.4794606 Cc1cnccc1CSc2csc3c2cc(cc3)N 62a_100020672808_100011178648 [0,2,0,0,0,0|2,0,0]=4 4652 B21R3.4794606 Cc1cnccc1CSc2n[nH]c3c2cc(cc3)Br 62a_100020672808_100010186058 [0,2,0,0,0,0|2,0,0]=4 4653 B21R3.4794606 Cc1cnccc1CSc2n[nH]c3c2cc(cc3)Cl 62a_100020672808_100010174404 [0,2,0,0,0,0|2,0,0]=4 4654 B21R3.4794606 Cc1cnccc1CSc2n[nH]c3c2cc(cc3)F 62a_100020672808_100011934747 [0,2,0,0,0,0|2,0,0]=4 4655 B21R3.4794606 Cc1cnccc1CSc2n[nH]c3c2cc(cc3)N 62a_100020672808_100012353729 [0,2,0,0,0,0|2,0,0]=4 4656 B21R3.4794606 Cc1cnccc1OCc2csc3c2cc(cc3)Cl 34a_100000694293_100009814428 [0,2,0,0,0,0|2,0,0]=4 4657 B21R3.4794606 Cc1cnccc1OCc2csc3c2cc(cc3)F 34a_100000694293_100010109839 [0,2,0,0,0,0|2,0,0]=4 4658 B21R3.4794606 Cc1cnccc1SCc2csc3c2cc(cc3)Cl 62a_100000765111_100009814428 [0,2,0,0,0,0|2,0,0]=4 4659 B21R3.4794606 Cc1cnccc1SCc2csc3c2cc(cc3)Cl 62a_100009814428_100000765111 [0,2,0,0,0,0|2,0,0]=4 4660 B21R3.4794606 Cc1cnccc1SCc2csc3c2cc(cc3)F 62a_100000765111_100010109839 [0,2,0,0,0,0|2,0,0]=4 4661 B21R3.4794606 Cc1cnccc1SCc2csc3c2cc(cc3)F 62a_100010109839_100000765111 [0,2,0,0,0,0|2,0,0]=4 4662 B21R3.4794606 Clc1cc2c(c[nH]c2cn1)SCc3ccncc3Cl 62a_100000763264_100010168685 [0,2,0,0,0,0|2,0,0]=4 4663 B21R3.4794606 Clc1ccc2[nH]cc(c2n1)SCc3ccncc3Cl 62a_100000763264_100010168529 [0,2,0,0,0,0|2,0,0]=4 4664 B21R3.4794606 Clc1ccc2[nH]nc(c2c1)SCc3ccncc3Cl 62a_100000763264_100010174404 [0,2,0,0,0,0|2,0,0]=4 4665 B21R3.4794606 Clc1ccc2scc(c2c1)COc3ccncc3Br 34a_100011996408_100009814428 [0,2,0,0,0,0|2,0,0]=4 4666 B21R3.4794606 Clc1ccc2scc(c2c1)COc3ccncc3Cl 34a_100011997054_100009814428 [0,2,0,0,0,0|2,0,0]=4 4667 B21R3.4794606 Clc1ccc2scc(c2c1)CSc3ccncc3Cl 62a_100000708259_100009814428 [0,2,0,0,0,0|2,0,0]=4 4668 B21R3.4794606 Clc1ccc2scc(c2c1)CSc3ccncc3Cl 62a_100009814428_100000708259 [0,2,0,0,0,0|2,0,0]=4 4669 B21R3.4794606 Clc1cnc2[nH]cc(c2c1)SCc3ccncc3Cl 62a_100000763264_100000050100 [0,2,0,0,0,0|2,0,0]=4 4670 B21R3.4794606 Clc1cnccc1CSc2c[nH]c3c2cc(cn3)Br 62a_100000763264_100011290788 [0,2,0,0,0,0|2,0,0]=4 4671 B21R3.4794606 Clc1cnccc1CSc2c[nH]c3c2cc(cn3)Br 62a_100011290788_100000763264 [0,2,0,0,0,0|2,0,0]=4 4672 B21R3.4794606 Clc1cnccc1CSc2c[nH]c3c2nc(cc3)Br 62a_100000763264_100010168532 [0,2,0,0,0,0|2,0,0]=4 4673 B21R3.4794606 Clc1cnccc1CSc2c[nH]c3c2nc(cc3)Br 62a_100010168532_100000763264 [0,2,0,0,0,0|2,0,0]=4 4674 B21R3.4794606 Clc1cnccc1CSc2n[nH]c3c2cc(cc3)Br 62a_100000763264_100010186058 [0,2,0,0,0,0|2,0,0]=4 4675 B21R3.4794606 Fc1ccc2[nH]nc(c2c1)SCc3ccncc3Cl 62a_100000763264_100011934747 [0,2,0,0,0,0|2,0,0]=4 4676 B21R3.4794606 Fc1ccc2scc(c2c1)COc3ccncc3Br 34a_100011996408_100010109839 [0,2,0,0,0,0|2,0,0]=4 4677 B21R3.4794606 Fc1ccc2scc(c2c1)COc3ccncc3Cl 34a_100011997054_100010109839 [0,2,0,0,0,0|2,0,0]=4 4678 B21R3.4794606 Fc1ccc2scc(c2c1)COc3ccncc3F 34a_200000081243_100010109839 [0,2,0,0,0,0|2,0,0]=4 4679 B21R3.4794606 Fc1ccc2scc(c2c1)CSc3ccncc3Br 62a_100000726257_100010109839 [0,2,0,0,0,0|2,0,0]=4 4680 B21R3.4794606 Fc1ccc2scc(c2c1)CSc3ccncc3Br 62a_100010109839_100000726257 [0,2,0,0,0,0|2,0,0]=4 4681 B21R3.4794606 Fc1ccc2scc(c2c1)CSc3ccncc3Cl 62a_100000708259_100010109839 [0,2,0,0,0,0|2,0,0]=4 4682 B21R3.4794606 Fc1ccc2scc(c2c1)CSc3ccncc3Cl 62a_100010109839_100000708259 [0,2,0,0,0,0|2,0,0]=4 4683 B21R3.4794606 Fc1ccc2scc(c2c1)CSc3ccncc3F 62a_100000047030_100010109839 [0,2,0,0,0,0|2,0,0]=4 4684 B21R3.4794606 Fc1ccc2scc(c2c1)CSc3ccncc3F 62a_100010109839_100000047030 [0,2,0,0,0,0|2,0,0]=4 4685 B21R3.4794606 Fc1cnc2[nH]cc(c2c1)SCc3ccncc3Cl 62a_100000763264_100010168383 [0,2,0,0,0,0|2,0,0]=4 4686 B21R3.4794606 Fc1cnccc1OCc2csc3c2cc(cc3)Cl 34a_200000081243_100009814428 [0,2,0,0,0,0|2,0,0]=4 4687 B21R3.4794606 Fc1cnccc1SCc2csc3c2cc(cc3)Cl 62a_100000047030_100009814428 [0,2,0,0,0,0|2,0,0]=4 4688 B21R3.4794606 Fc1cnccc1SCc2csc3c2cc(cc3)Cl 62a_100009814428_100000047030 [0,2,0,0,0,0|2,0,0]=4 4689 B21R3.4794606 Nc1ccc2[nH]nc(c2c1)SCc3ccncc3Cl 62a_100000763264_100012353729 [0,2,0,0,0,0|2,0,0]=4 4690 B21R3.4794606 Nc1ccc2scc(c2c1)SCc3ccncc3Cl 62a_100000763264_100011178648 [0,2,0,0,0,0|2,0,0]=4 4691 B21R3.4794606 Nc1ccc2scc(c2c1)SCc3ccncc3Cl 62a_100011178648_100000763264 [0,2,0,0,0,0|2,0,0]=4 4692 B21R3.4794606 Nc1cnc2[nH]cc(c2c1)SCc3ccncc3Cl 62a_100000763264_100010168510 [0,2,0,0,0,0|2,0,0]=4 4693 B21R3.4794606 Nc1cnccc1SCc2csc3c2cc(cc3)Cl 62a_100000756074_100009814428 [0,2,0,0,0,0|2,0,0]=4 4694 B21R3.4794606 Nc1cnccc1SCc2csc3c2cc(cc3)Cl 62a_100009814428_100000756074 [0,2,0,0,0,0|2,0,0]=4 4695 B21R3.4794606 Nc1cnccc1SCc2csc3c2cc(cc3)F 62a_100000756074_100010109839 [0,2,0,0,0,0|2,0,0]=4 4696 B21R3.4794606 Nc1cnccc1SCc2csc3c2cc(cc3)F 62a_100010109839_100000756074 [0,2,0,0,0,0|2,0,0]=4 4697 B21R3.4794606 Oc1cnccc1SCc2csc3c2cc(cc3)Cl 62a_100009814428_100009817591 [0,2,0,0,0,0|2,0,0]=4 4698 B21R3.4794606 Oc1cnccc1SCc2csc3c2cc(cc3)Cl 62a_100009817591_100009814428 [0,2,0,0,0,0|2,0,0]=4 4699 B21R3.4794606 Oc1cnccc1SCc2csc3c2cc(cc3)F 62a_100009817591_100010109839 [0,2,0,0,0,0|2,0,0]=4 4700 B21R3.4794606 Oc1cnccc1SCc2csc3c2cc(cc3)F 62a_100010109839_100009817591 [0,2,0,0,0,0|2,0,0]=4 4701 B21R3.34395 COc1cccc2c1[nH]nc2SCc3ccncc3 62a_100015193705_100010231496 [0,2,0,0,0,0|2,0,0]=4 4702 B21R3.34395 COc1nccc2c1[nH]cc2SCc3ccncc3 62a_100015193705_100010168644 [0,2,0,0,0,0|2,0,0]=4 4703 B21R3.34395 N#Cc1cccc2c1[nH]nc2NCc3ccncc3 27a_100000210450_100010245458 [0,2,0,0,0,0|2,0,0]=4 4704 B21R3.34395 N#Cc1cccc2c1[nH]nc2SCc3ccncc3 62a_100015193705_100010245458 [0,2,0,0,0,0|2,0,0]=4 4705 B21R3.393354 Cc1cccc2c1NC(=O)C2=NNc3ccncc3 4a_100000698918_100000183386 [0,2,0,0,0,0|2,0,0]=4 4706 B21R3.393354 O=C1Nc2c(cccc2C1=NNc3ccncc3)Cl 4a_100000698918_100000185868 [0,2,0,0,0,0|2,0,0]=4 4707 B21R3.393354 O=C1Nc2c(cccc2C1=NNc3ccncc3)I 4a_100000698918_100000743882 [0,2,0,0,0,0|2,0,0]=4 4708 B21R3.469781 Brc1cc(ccn1)CSc2n[nH]c3c2cccc3Br 62a_100010254460_100010197283 [0,2,0,0,0,0|2,0,0]=4 4709 B21R3.469781 Cc1cc(ccn1)CSc2c[nH]c3c2nccc3Cl 62a_200020672517_100010168581 [0,2,0,0,0,0|2,0,0]=4 4710 B21R3.469781 Cc1cc(ccn1)CSc2n[nH]c3c2cccc3Br 62a_200020672517_100010197283 [0,2,0,0,0,0|2,0,0]=4 4711 B21R3.469781 Cc1cc(ccn1)CSc2n[nH]c3c2cccc3C 62a_200020672517_100010186057 [0,2,0,0,0,0|2,0,0]=4 4712 B21R3.469781 Cc1cc(ccn1)CSc2n[nH]c3c2cccc3Cl 62a_200020672517_100000050086 [0,2,0,0,0,0|2,0,0]=4 4713 B21R3.469781 Cc1cc(ccn1)CSc2n[nH]c3c2cccc3F 62a_200020672517_100010231504 [0,2,0,0,0,0|2,0,0]=4 4714 B21R3.469781 Cc1cc(ccn1)CSc2n[nH]c3c2cccc3N 62a_200020672517_100009888981 [0,2,0,0,0,0|2,0,0]=4 4715 B21R3.469781 Cc1cc(ccn1)CSc2n[nH]c3c2cccc3O 62a_200020672517_200010988877 [0,2,0,0,0,0|2,0,0]=4 4716 B21R3.469781 Cc1cccc2c1[nH]nc2SCc3ccnc(c3)Br 62a_100010254460_100010186057 [0,2,0,0,0,0|2,0,0]=4 4717 B21R3.469781 Cc1cccc2c1[nH]nc2SCc3ccnc(c3)Cl 62a_100000764220_100010186057 [0,2,0,0,0,0|2,0,0]=4 4718 B21R3.469781 Clc1cc(ccn1)CSc2c[nH]c3c2nccc3Cl 62a_100000764220_100010168581 [0,2,0,0,0,0|2,0,0]=4 4719 B21R3.469781 Clc1cc(ccn1)CSc2n[nH]c3c2cccc3Br 62a_100000764220_100010197283 [0,2,0,0,0,0|2,0,0]=4 4720 B21R3.469781 Clc1cc(ccn1)CSc2n[nH]c3c2cccc3Cl 62a_100000764220_100000050086 [0,2,0,0,0,0|2,0,0]=4 4721 B21R3.469781 Clc1cccc2c1[nH]nc2SCc3ccnc(c3)Br 62a_100010254460_100000050086 [0,2,0,0,0,0|2,0,0]=4 4722 B21R3.469781 Clc1ccnc2c1[nH]cc2SCc3ccnc(c3)Br 62a_100010254460_100010168581 [0,2,0,0,0,0|2,0,0]=4 4723 B21R3.469781 Fc1cccc2c1[nH]nc2SCc3ccnc(c3)Br 62a_100010254460_100010231504 [0,2,0,0,0,0|2,0,0]=4 4724 B21R3.469781 Fc1cccc2c1[nH]nc2SCc3ccnc(c3)Cl 62a_100000764220_100010231504 [0,2,0,0,0,0|2,0,0]=4 4725 B21R3.469781 Nc1cccc2c1[nH]nc2SCc3ccnc(c3)Br 62a_100010254460_100009888981 [0,2,0,0,0,0|2,0,0]=4 4726 B21R3.469781 Nc1cccc2c1[nH]nc2SCc3ccnc(c3)Cl 62a_100000764220_100009888981 [0,2,0,0,0,0|2,0,0]=4 4727 B21R3.469781 Oc1cccc2c1[nH]nc2SCc3ccnc(c3)Br 62a_100010254460_200010988877 [0,2,0,0,0,0|2,0,0]=4 4728 B21R3.469781 Oc1cccc2c1[nH]nc2SCc3ccnc(c3)Cl 62a_100000764220_200010988877 [0,2,0,0,0,0|2,0,0]=4 4729 B21R3.2314432 Cc1cc(cc2c1[nH]cc2CNc3ccccc3)Cl 270302a_100000106764_100009877053 [0,2,0,0,0,0|2,0,0]=4 4730 B21R3.153867 Cc1ccc2c(c1)C(=NNc3ccncc3)C(=O)N2 4a_100000698918_100000183581 [0,2,0,0,0,0|2,0,0]=4 4731 B21R3.153867 O=C1Nc2ccc(cc2C1=NNc3ccncc3)Br 4a_100000698918_100000186232 [0,2,0,0,0,0|2,0,0]=4 4732 B21R3.153867 O=C1Nc2ccc(cc2C1=NNc3ccncc3)Cl 4a_100000698918_100000183633 [0,2,0,0,0,0|2,0,0]=4 4733 B21R3.153867 O=C1Nc2ccc(cc2C1=NNc3ccncc3)F 4a_100000698918_100000182522 [0,2,0,0,0,0|2,0,0]=4 4734 B21R3.153867 O=C1Nc2ccc(cc2C1=NNc3ccncc3)I 4a_100000698918_100000024671 [0,2,0,0,0,0|2,0,0]=4 4735 B21R3.398657 Cc1cccc2c1C(=NNc3ccncc3)C(=O)N2 4a_100000698918_100000076096 [0,2,0,0,0,0|2,0,0]=4 4736 B21R3.398657 O=C1Nc2cccc(c2C1=NNc3ccncc3)Br 4a_100000698918_100000234798 [0,2,0,0,0,0|2,0,0]=4 4737 B21R3.398657 O=C1Nc2cccc(c2C1=NNc3ccncc3)Cl 4a_100000698918_100000743965 [0,2,0,0,0,0|2,0,0]=4 4738 B21R3.398657 O=C1Nc2cccc(c2C1=NNc3ccncc3)F 4a_100000698918_100000077294 [0,2,0,0,0,0|2,0,0]=4 4739 B21R3.398657 O=C1Nc2cccc(c2C1=NNc3ccncc3)I 4a_100000698918_100000697038 [0,2,0,0,0,0|2,0,0]=4 4740 B21R3.2307191 CN1C(=O)C(=NNc2ccncc2)c3c1cccc3 4a_100000698918_100000183014 [0,2,0,0,0,0|2,0,0]=4 4741 B21R3.2307191 O=C1C(=NNc2ccncc2)c3ccccc3N1Cl 4a_100000698918_200000101830 [0,2,0,0,0,0|2,0,0]=4 4742 B21R3.7442827 Cc1[nH]c2ncccc2c1SCc3ccnc(c3)Br 62a_100010254460_100010174266 [0,2,0,0,0,0|2,0,0]=4 4743 B21R3.7442827 Cc1[nH]c2ncccc2c1SCc3ccnc(c3)Cl 62a_100000764220_100010174266 [0,2,0,0,0,0|2,0,0]=4 4744 B21R3.7442827 Cc1cc(ccn1)CSC2C(=O)Nc3c2cccc3 62a_200020672517_200009996675 [0,2,0,0,0,0|1,0,1]=4 4745 B21R3.7442827 Cc1cc(ccn1)CSc2c([nH]c3c2cccn3)C 62a_200020672517_100010174266 [0,2,0,0,0,0|2,0,0]=4 4746 B21R3.7442827 Cc1cc(ccn1)CSc2c(oc3c2cccc3)C 62a_200020672517_200010236113 [0,2,0,0,0,0|2,0,0]=4 4747 B21R3.7442827 Cc1cc(ccn1)CSc2c(sc3c2cccc3)C 62a_100010002616_200020672517 [0,2,0,0,0,0|2,0,0]=4 4748 B21R3.7442827 Cc1cc(ccn1)CSc2c(sc3c2cccc3)C 62a_200020672517_100010002616 [0,2,0,0,0,0|2,0,0]=4 4749 B21R3.7442827 Cc1oc2ccccc2c1SCc3ccnc(c3)Br 62a_100010254460_200010236113 [0,2,0,0,0,0|2,0,0]=4 4750 B21R3.7442827 Cc1oc2ccccc2c1SCc3ccnc(c3)Cl 62a_100000764220_200010236113 [0,2,0,0,0,0|2,0,0]=4 4751 B21R3.7442827 Cc1sc2ccccc2c1SCc3ccnc(c3)Br 62a_100010002616_100010243470 [0,2,0,0,0,0|2,0,0]=4 4752 B21R3.7442827 Cc1sc2ccccc2c1SCc3ccnc(c3)Br 62a_100010254460_100010002616 [0,2,0,0,0,0|2,0,0]=4 4753 B21R3.7442827 Cc1sc2ccccc2c1SCc3ccnc(c3)Cl 62a_100000764220_100010002616 [0,2,0,0,0,0|2,0,0]=4 4754 B21R3.7442827 Cc1sc2ccccc2c1SCc3ccnc(c3)Cl 62a_100010002616_100000764220 [0,2,0,0,0,0|2,0,0]=4 4755 B21R3.7442827 O=C1Nc2ccccc2C1=NNc3ccnc(c3)Cl 4a_100000089018_100000185742 [0,2,0,0,0,0|2,0,0]=4 4756 B21R3.7442827 O=C1Nc2ccccc2C1SCc3ccnc(c3)Br 62a_100010254460_200009996675 [0,2,0,0,0,0|1,0,1]=4 4757 B21R3.7442827 O=C1Nc2ccccc2C1SCc3ccnc(c3)Cl 62a_100000764220_200009996675 [0,2,0,0,0,0|1,0,1]=4 4758 B21R3.39025 C=Cc1cc(ccn1)SCc2csc3c2cccc3 62a_100009845566_200000742921 [0,2,0,0,0,0|2,0,0]=4 4759 B21R3.39025 C=Cc1cc(ccn1)SCc2csc3c2cccc3 62a_200000742921_100009845566 [0,2,0,0,0,0|2,0,0]=4 4760 B21R3.39025 CCc1cc(ccn1)NCc2csc3c2cccc3 27a_100000744611_100009820011 [0,2,0,0,0,0|2,0,0]=4 4761 B21R3.39025 CCc1cc(ccn1)SCc2csc3c2cccc3 62a_100009820011_200000742921 [0,2,0,0,0,0|2,0,0]=4 4762 B21R3.39025 CCc1cc(ccn1)SCc2csc3c2cccc3 62a_200000742921_100009820011 [0,2,0,0,0,0|2,0,0]=4 4763 B21R3.39025 CNc1cc(ccn1)SCc2csc3c2cccc3 62a_100009819592_200000742921 [0,2,0,0,0,0|2,0,0]=4 4764 B21R3.39025 CNc1cc(ccn1)SCc2csc3c2cccc3 62a_200000742921_100009819592 [0,2,0,0,0,0|2,0,0]=4 4765 B21R3.39025 COc1cc(ccn1)COc2csc3c2cccc3 34a_100000077758_100103152439 [0,2,0,0,0,0|2,0,0]=4 4766 B21R3.39025 COc1cc(ccn1)COc2csc3c2cccc3 7a_100000077758_100103152439 [0,2,0,0,0,0|2,0,0]=4 4767 B21R3.39025 COc1cc(ccn1)CSc2c[nH]c3c2cccn3 62a_100103152439_100011934613 [0,2,0,0,0,0|2,0,0]=4 4768 B21R3.39025 COc1cc(ccn1)CSc2c[nH]c3c2ccnc3 62a_100103152439_100010232032 [0,2,0,0,0,0|2,0,0]=4 4769 B21R3.39025 COc1cc(ccn1)CSc2c[nH]c3c2cncc3 62a_100103152439_100000753697 [0,2,0,0,0,0|2,0,0]=4 4770 B21R3.39025 COc1cc(ccn1)CSc2c[nH]c3c2nccc3 62a_100103152439_100009817151 [0,2,0,0,0,0|2,0,0]=4 4771 B21R3.39025 COc1cc(ccn1)CSc2coc3c2cccc3 62a_100103152439_100009812202 [0,2,0,0,0,0|2,0,0]=4 4772 B21R3.39025 COc1cc(ccn1)CSc2csc3c2cccc3 62a_100103152439_100009813928 [0,2,0,0,0,0|2,0,0]=4 4773 B21R3.39025 COc1cc(ccn1)CSc2n[nH]c3c2cccc3 62a_100103152439_100000050141 [0,2,0,0,0,0|2,0,0]=4 4774 B21R3.39025 COc1cc(ccn1)OCc2csc3c2cccc3 34a_100012181050_200000742921 [0,2,0,0,0,0|2,0,0]=4 4775 B21R3.39025 COc1cc(ccn1)SCc2csc3c2cccc3 62a_100000117307_200000742921 [0,2,0,0,0,0|2,0,0]=4 4776 B21R3.39025 COc1cc(ccn1)SCc2csc3c2cccc3 62a_200000742921_100000117307 [0,2,0,0,0,0|2,0,0]=4 4777 B21R3.39025 N#Cc1cc(ccn1)NCc2csc3c2cccc3 27a_100000744611_100000685610 [0,2,0,0,0,0|2,0,0]=4 4778 B21R3.39025 N#Cc1cc(ccn1)OCc2csc3c2cccc3 34a_100011777083_200000742921 [0,2,0,0,0,0|2,0,0]=4 4779 B21R3.39025 N#Cc1cc(ccn1)SCc2csc3c2cccc3 62a_200000742921_100000685610 [0,2,0,0,0,0|2,0,0]=4 4780 B21R3.39025 NCc1cc(ccn1)SCc2csc3c2cccc3 62a_100000085674_200000742921 [0,2,0,0,0,0|2,0,0]=4 4781 B21R3.39025 NCc1cc(ccn1)SCc2csc3c2cccc3 62a_200000742921_100000085674 [0,2,0,0,0,0|2,0,0]=4 4782 B21R3.39025 NNc1cc(ccn1)SCc2csc3c2cccc3 62a_100000764631_200000742921 [0,2,0,0,0,0|2,0,0]=4 4783 B21R3.39025 NNc1cc(ccn1)SCc2csc3c2cccc3 62a_200000742921_100000764631 [0,2,0,0,0,0|2,0,0]=4 4784 B21R3.39025 O=Cc1cc(ccn1)SCc2csc3c2cccc3 62a_100011998288_200000742921 [0,2,0,0,0,0|2,0,0]=4 4785 B21R3.39025 O=Cc1cc(ccn1)SCc2csc3c2cccc3 62a_200000742921_100011998288 [0,2,0,0,0,0|2,0,0]=4 4786 B21R3.39025 OCc1cc(ccn1)NCc2csc3c2cccc3 27a_100000744611_100000748867 [0,2,0,0,0,0|2,0,0]=4 4787 B21R3.39025 OCc1cc(ccn1)SCc2csc3c2cccc3 62a_100000748867_200000742921 [0,2,0,0,0,0|2,0,0]=4 4788 B21R3.39025 OCc1cc(ccn1)SCc2csc3c2cccc3 62a_200000742921_100000748867 [0,2,0,0,0,0|2,0,0]=4 4789 B21R3.140393 Brc1cc(cc(n1)Br)OCc2csc3c2cccc3 34a_100010172823_200000742921 [0,2,0,0,0,0|2,0,0]=4 4790 B21R3.140393 Cc1cc(cc(n1)C)COc2csc3c2cccc3 34a_100000077758_200000139866 [0,2,0,0,0,0|2,0,0]=4 4791 B21R3.140393 Cc1cc(cc(n1)C)COc2csc3c2cccc3 7a_100000077758_200000139866 [0,2,0,0,0,0|2,0,0]=4 4792 B21R3.140393 Cc1cc(cc(n1)C)CSc2c[nH]c3c2cccn3 62a_200000139866_100011934613 [0,2,0,0,0,0|2,0,0]=4 4793 B21R3.140393 Cc1cc(cc(n1)C)CSc2c[nH]c3c2ccnc3 62a_200000139866_100010232032 [0,2,0,0,0,0|2,0,0]=4 4794 B21R3.140393 Cc1cc(cc(n1)C)CSc2c[nH]c3c2cncc3 62a_200000139866_100000753697 [0,2,0,0,0,0|2,0,0]=4 4795 B21R3.140393 Cc1cc(cc(n1)C)CSc2c[nH]c3c2nccc3 62a_200000139866_100009817151 [0,2,0,0,0,0|2,0,0]=4 4796 B21R3.140393 Cc1cc(cc(n1)C)CSc2coc3c2cccc3 62a_200000139866_100009812202 [0,2,0,0,0,0|2,0,0]=4 4797 B21R3.140393 Cc1cc(cc(n1)C)CSc2csc3c2cccc3 62a_200000139866_100009813928 [0,2,0,0,0,0|2,0,0]=4 4798 B21R3.140393 Cc1cc(cc(n1)C)CSc2n[nH]c3c2cccc3 62a_200000139866_100000050141 [0,2,0,0,0,0|2,0,0]=4 4799 B21R3.140393 Cc1cc(cc(n1)C)NCc2csc3c2cccc3 27a_100000744611_100000066820 [0,2,0,0,0,0|2,0,0]=4 4800 B21R3.140393 Cc1cc(cc(n1)C)SCc2csc3c2cccc3 62a_100000066820_200000742921 [0,2,0,0,0,0|2,0,0]=4 4801 B21R3.140393 Cc1cc(cc(n1)C)SCc2csc3c2cccc3 62a_200000742921_100000066820 [0,2,0,0,0,0|2,0,0]=4 4802 B21R3.140393 Cc1cc(cc(n1)Cl)NCc2csc3c2cccc3 27a_100000744611_100010068023 [0,2,0,0,0,0|2,0,0]=4 4803 B21R3.140393 Cc1cc(cc(n1)Cl)SCc2csc3c2cccc3 62a_100010068023_200000742921 [0,2,0,0,0,0|2,0,0]=4 4804 B21R3.140393 Cc1cc(cc(n1)Cl)SCc2csc3c2cccc3 62a_200000742921_100010068023 [0,2,0,0,0,0|2,0,0]=4 4805 B21R3.140393 Cc1cc(cc(n1)F)NCc2csc3c2cccc3 27a_100000744611_100010006595 [0,2,0,0,0,0|2,0,0]=4 4806 B21R3.140393 Cc1cc(cc(n1)F)SCc2csc3c2cccc3 62a_100010006595_200000742921 [0,2,0,0,0,0|2,0,0]=4 4807 B21R3.140393 Cc1cc(cc(n1)F)SCc2csc3c2cccc3 62a_200000742921_100010006595 [0,2,0,0,0,0|2,0,0]=4 4808 B21R3.140393 Cc1cc(cc(n1)N)SCc2csc3c2cccc3 62a_100000076705_200000742921 [0,2,0,0,0,0|2,0,0]=4 4809 B21R3.140393 Cc1cc(cc(n1)N)SCc2csc3c2cccc3 62a_200000742921_100000076705 [0,2,0,0,0,0|2,0,0]=4 4810 B21R3.140393 Clc1cc(cc(n1)Cl)COc2csc3c2cccc3 7a_100000077758_100000052781 [0,2,0,0,0,0|2,0,0]=4 4811 B21R3.140393 Clc1cc(cc(n1)Cl)CSc2c[nH]c3c2cccn3 62a_100000052781_100011934613 [0,2,0,0,0,0|2,0,0]=4 4812 B21R3.140393 Clc1cc(cc(n1)Cl)CSc2c[nH]c3c2ccnc3 62a_100000052781_100010232032 [0,2,0,0,0,0|2,0,0]=4 4813 B21R3.140393 Clc1cc(cc(n1)Cl)CSc2c[nH]c3c2cncc3 62a_100000052781_100000753697 [0,2,0,0,0,0|2,0,0]=4 4814 B21R3.140393 Clc1cc(cc(n1)Cl)CSc2c[nH]c3c2nccc3 62a_100000052781_100009817151 [0,2,0,0,0,0|2,0,0]=4 4815 B21R3.140393 Clc1cc(cc(n1)Cl)CSc2coc3c2cccc3 62a_100000052781_100009812202 [0,2,0,0,0,0|2,0,0]=4 4816 B21R3.140393 Clc1cc(cc(n1)Cl)CSc2csc3c2cccc3 62a_100000052781_100009813928 [0,2,0,0,0,0|2,0,0]=4 4817 B21R3.140393 Clc1cc(cc(n1)Cl)CSc2n[nH]c3c2cccc3 62a_100000052781_100000050141 [0,2,0,0,0,0|2,0,0]=4 4818 B21R3.140393 Clc1cc(cc(n1)Cl)SCc2csc3c2cccc3 62a_100000062418_200000742921 [0,2,0,0,0,0|2,0,0]=4 4819 B21R3.140393 Clc1cc(cc(n1)Cl)SCc2csc3c2cccc3 62a_200000742921_100000062418 [0,2,0,0,0,0|2,0,0]=4 4820 B21R3.140393 Fc1cc(cc(n1)Cl)NCc2csc3c2cccc3 27a_100000744611_100011069727 [0,2,0,0,0,0|2,0,0]=4 4821 B21R3.140393 Fc1cc(cc(n1)Cl)SCc2csc3c2cccc3 62a_100011069727_200000742921 [0,2,0,0,0,0|2,0,0]=4 4822 B21R3.140393 Fc1cc(cc(n1)Cl)SCc2csc3c2cccc3 62a_200000742921_100011069727 [0,2,0,0,0,0|2,0,0]=4 4823 B21R3.140393 Fc1cc(cc(n1)F)NCc2csc3c2cccc3 27a_100000744611_100000049587 [0,2,0,0,0,0|2,0,0]=4 4824 B21R3.140393 Fc1cc(cc(n1)F)SCc2csc3c2cccc3 62a_100000049587_200000742921 [0,2,0,0,0,0|2,0,0]=4 4825 B21R3.140393 Fc1cc(cc(n1)F)SCc2csc3c2cccc3 62a_200000742921_100000049587 [0,2,0,0,0,0|2,0,0]=4 4826 B21R3.140393 Nc1cc(cc(n1)Cl)SCc2csc3c2cccc3 62a_200000742921_200011084131 [0,2,0,0,0,0|2,0,0]=4 4827 B21R3.140393 Nc1cc(cc(n1)Cl)SCc2csc3c2cccc3 62a_200011084131_200000742921 [0,2,0,0,0,0|2,0,0]=4 4828 B21R3.140393 Nc1cc(cc(n1)N)SCc2csc3c2cccc3 62a_100009816676_200000742921 [0,2,0,0,0,0|2,0,0]=4 4829 B21R3.3821103 Brc1cc(ccn1)CSc2c[nH]c3c2c(ccn3)Br 62a_100010212587_100010243470 [0,2,0,0,0,0|2,0,0]=4 4830 B21R3.3821103 Brc1cc(ccn1)CSc2c[nH]c3c2c(ccn3)Br 62a_100010254460_100010212587 [0,2,0,0,0,0|2,0,0]=4 4831 B21R3.3821103 Brc1cc(ccn1)CSc2n[nH]c3c2c(ccc3)Br 62a_100010254460_100010186043 [0,2,0,0,0,0|2,0,0]=4 4832 B21R3.3821103 Cc1cc(ccn1)CSc2c[nH]c3c2c(ccn3)Br 62a_100010212587_200020672517 [0,2,0,0,0,0|2,0,0]=4 4833 B21R3.3821103 Cc1cc(ccn1)CSc2c[nH]c3c2c(ccn3)Br 62a_200020672517_100010212587 [0,2,0,0,0,0|2,0,0]=4 4834 B21R3.3821103 Cc1cc(ccn1)CSc2c[nH]c3c2c(ccn3)Cl 62a_200020672517_100011356983 [0,2,0,0,0,0|2,0,0]=4 4835 B21R3.3821103 Cc1cc(ccn1)CSc2c[nH]c3c2c(ccn3)F 62a_200020672517_100010168365 [0,2,0,0,0,0|2,0,0]=4 4836 B21R3.3821103 Cc1cc(ccn1)CSc2n[nH]c3c2c(ccc3)Br 62a_200020672517_100010186043 [0,2,0,0,0,0|2,0,0]=4 4837 B21R3.3821103 Cc1cc(ccn1)CSc2n[nH]c3c2c(ccc3)C 62a_200020672517_100000049903 [0,2,0,0,0,0|2,0,0]=4 4838 B21R3.3821103 Cc1cc(ccn1)CSc2n[nH]c3c2c(ccc3)Cl 62a_200020672517_100000049730 [0,2,0,0,0,0|2,0,0]=4 4839 B21R3.3821103 Cc1cc(ccn1)CSc2n[nH]c3c2c(ccc3)F 62a_200020672517_100000049989 [0,2,0,0,0,0|2,0,0]=4 4840 B21R3.3821103 Cc1cc(ccn1)CSc2n[nH]c3c2c(ccc3)N 62a_200020672517_100010186038 [0,2,0,0,0,0|2,0,0]=4 4841 B21R3.3821103 Cc1cccc2c1c(n[nH]2)SCc3ccnc(c3)Br 62a_100010254460_100000049903 [0,2,0,0,0,0|2,0,0]=4 4842 B21R3.3821103 Cc1cccc2c1c(n[nH]2)SCc3ccnc(c3)Cl 62a_100000764220_100000049903 [0,2,0,0,0,0|2,0,0]=4 4843 B21R3.3821103 Clc1cc(ccn1)CSc2c[nH]c3c2c(ccn3)Br 62a_100000764220_100010212587 [0,2,0,0,0,0|2,0,0]=4 4844 B21R3.3821103 Clc1cc(ccn1)CSc2c[nH]c3c2c(ccn3)Br 62a_100010212587_100000764220 [0,2,0,0,0,0|2,0,0]=4 4845 B21R3.3821103 Clc1cc(ccn1)CSc2c[nH]c3c2c(ccn3)Cl 62a_100000764220_100011356983 [0,2,0,0,0,0|2,0,0]=4 4846 B21R3.3821103 Clc1cc(ccn1)CSc2n[nH]c3c2c(ccc3)Br 62a_100000764220_100010186043 [0,2,0,0,0,0|2,0,0]=4 4847 B21R3.3821103 Clc1cc(ccn1)CSc2n[nH]c3c2c(ccc3)Cl 62a_100000764220_100000049730 [0,2,0,0,0,0|2,0,0]=4 4848 B21R3.3821103 Clc1cccc2c1c(n[nH]2)SCc3ccnc(c3)Br 62a_100010254460_100000049730 [0,2,0,0,0,0|2,0,0]=4 4849 B21R3.3821103 Clc1ccnc2c1c(c[nH]2)SCc3ccnc(c3)Br 62a_100010254460_100011356983 [0,2,0,0,0,0|2,0,0]=4 4850 B21R3.3821103 Fc1cccc2c1c(n[nH]2)SCc3ccnc(c3)Br 62a_100010254460_100000049989 [0,2,0,0,0,0|2,0,0]=4 4851 B21R3.3821103 Fc1cccc2c1c(n[nH]2)SCc3ccnc(c3)Cl 62a_100000764220_100000049989 [0,2,0,0,0,0|2,0,0]=4 4852 B21R3.3821103 Fc1ccnc2c1c(c[nH]2)SCc3ccnc(c3)Br 62a_100010254460_100010168365 [0,2,0,0,0,0|2,0,0]=4 4853 B21R3.3821103 Fc1ccnc2c1c(c[nH]2)SCc3ccnc(c3)Cl 62a_100000764220_100010168365 [0,2,0,0,0,0|2,0,0]=4 4854 B21R3.3821103 Nc1cccc2c1c(n[nH]2)SCc3ccnc(c3)Br 62a_100010254460_100010186038 [0,2,0,0,0,0|2,0,0]=4 4855 B21R3.3821103 Nc1cccc2c1c(n[nH]2)SCc3ccnc(c3)Cl 62a_100000764220_100010186038 [0,2,0,0,0,0|2,0,0]=4 4856 B21R3.3821104 Brc1cc(ccn1)CSc2c[nH]c3c2nc(cc3)Br 62a_100010168532_100010243470 [0,2,0,0,0,0|2,0,0]=4 4857 B21R3.3821104 Brc1cc(ccn1)CSc2c[nH]c3c2nc(cc3)Br 62a_100010254460_100010168532 [0,2,0,0,0,0|2,0,0]=4 4858 B21R3.3821104 Brc1ccc2[nH]nc(c2c1)SCc3ccnc(c3)Br 62a_100010254460_100010186058 [0,2,0,0,0,0|2,0,0]=4 4859 B21R3.3821104 Brc1cnc2[nH]cc(c2c1)SCc3ccnc(c3)Br 62a_100010254460_100011290788 [0,2,0,0,0,0|2,0,0]=4 4860 B21R3.3821104 Brc1cnc2[nH]cc(c2c1)SCc3ccnc(c3)Br 62a_100011290788_100010243470 [0,2,0,0,0,0|2,0,0]=4 4861 B21R3.3821104 Cc1cc(ccn1)CSc2c[nH]c3c2cc(cn3)Br 62a_100011290788_200020672517 [0,2,0,0,0,0|2,0,0]=4 4862 B21R3.3821104 Cc1cc(ccn1)CSc2c[nH]c3c2cc(cn3)Br 62a_200020672517_100011290788 [0,2,0,0,0,0|2,0,0]=4 4863 B21R3.3821104 Cc1cc(ccn1)CSc2c[nH]c3c2cc(cn3)Cl 62a_200020672517_100000050100 [0,2,0,0,0,0|2,0,0]=4 4864 B21R3.3821104 Cc1cc(ccn1)CSc2c[nH]c3c2cc(cn3)F 62a_200020672517_100010168383 [0,2,0,0,0,0|2,0,0]=4 4865 B21R3.3821104 Cc1cc(ccn1)CSc2c[nH]c3c2cc(cn3)N 62a_200020672517_100010168510 [0,2,0,0,0,0|2,0,0]=4 4866 B21R3.3821104 Cc1cc(ccn1)CSc2c[nH]c3c2cc(nc3)Cl 62a_200020672517_100010168685 [0,2,0,0,0,0|2,0,0]=4 4867 B21R3.3821104 Cc1cc(ccn1)CSc2c[nH]c3c2nc(cc3)Br 62a_100010168532_200020672517 [0,2,0,0,0,0|2,0,0]=4 4868 B21R3.3821104 Cc1cc(ccn1)CSc2c[nH]c3c2nc(cc3)Br 62a_200020672517_100010168532 [0,2,0,0,0,0|2,0,0]=4 4869 B21R3.3821104 Cc1cc(ccn1)CSc2c[nH]c3c2nc(cc3)C 62a_200020672517_100010212567 [0,2,0,0,0,0|2,0,0]=4 4870 B21R3.3821104 Cc1cc(ccn1)CSc2c[nH]c3c2nc(cc3)Cl 62a_200020672517_100010168529 [0,2,0,0,0,0|2,0,0]=4 4871 B21R3.3821104 Cc1cc(ccn1)CSc2csc3c2cc(cc3)N 62a_100011178648_200020672517 [0,2,0,0,0,0|2,0,0]=4 4872 B21R3.3821104 Cc1cc(ccn1)CSc2csc3c2cc(cc3)N 62a_200020672517_100011178648 [0,2,0,0,0,0|2,0,0]=4 4873 B21R3.3821104 Cc1cc(ccn1)CSc2n[nH]c3c2cc(cc3)Br 62a_200020672517_100010186058 [0,2,0,0,0,0|2,0,0]=4 4874 B21R3.3821104 Cc1cc(ccn1)CSc2n[nH]c3c2cc(cc3)Cl 62a_200020672517_100010174404 [0,2,0,0,0,0|2,0,0]=4 4875 B21R3.3821104 Cc1cc(ccn1)CSc2n[nH]c3c2cc(cc3)F 62a_200020672517_100011934747 [0,2,0,0,0,0|2,0,0]=4 4876 B21R3.3821104 Cc1cc(ccn1)CSc2n[nH]c3c2cc(cc3)N 62a_200020672517_100012353729 [0,2,0,0,0,0|2,0,0]=4 4877 B21R3.3821104 Cc1cc(ccn1)OCc2csc3c2cc(cc3)Cl 34a_100000688365_100009814428 [0,2,0,0,0,0|2,0,0]=4 4878 B21R3.3821104 Cc1cc(ccn1)OCc2csc3c2cc(cc3)F 34a_100000688365_100010109839 [0,2,0,0,0,0|2,0,0]=4 4879 B21R3.3821104 Cc1cc(ccn1)SCc2csc3c2cc(cc3)Cl 62a_100000758586_100009814428 [0,2,0,0,0,0|2,0,0]=4 4880 B21R3.3821104 Cc1cc(ccn1)SCc2csc3c2cc(cc3)Cl 62a_100009814428_100000758586 [0,2,0,0,0,0|2,0,0]=4 4881 B21R3.3821104 Cc1cc(ccn1)SCc2csc3c2cc(cc3)F 62a_100000758586_100010109839 [0,2,0,0,0,0|2,0,0]=4 4882 B21R3.3821104 Cc1cc(ccn1)SCc2csc3c2cc(cc3)F 62a_100010109839_100000758586 [0,2,0,0,0,0|2,0,0]=4 4883 B21R3.3821104 Cc1ccc2[nH]cc(c2n1)SCc3ccnc(c3)Br 62a_100010254460_100010212567 [0,2,0,0,0,0|2,0,0]=4 4884 B21R3.3821104 Cc1ccc2[nH]cc(c2n1)SCc3ccnc(c3)Cl 62a_100000764220_100010212567 [0,2,0,0,0,0|2,0,0]=4 4885 B21R3.3821104 Cc1ccc2[nH]nc(c2c1)SCc3ccnc(c3)Br 62a_100010254460_100000123028 [0,2,0,0,0,0|2,0,0]=4 4886 B21R3.3821104 Cc1ccc2[nH]nc(c2c1)SCc3ccnc(c3)C 62a_200020672517_100000123028 [0,2,0,0,0,0|2,0,0]=4 4887 B21R3.3821104 Cc1ccc2[nH]nc(c2c1)SCc3ccnc(c3)Cl 62a_100000764220_100000123028 [0,2,0,0,0,0|2,0,0]=4 4888 B21R3.3821104 Cc1cnc2[nH]cc(c2c1)SCc3ccnc(c3)Br 62a_100010254460_100010246215 [0,2,0,0,0,0|2,0,0]=4 4889 B21R3.3821104 Cc1cnc2[nH]cc(c2c1)SCc3ccnc(c3)C 62a_200020672517_100010246215 [0,2,0,0,0,0|2,0,0]=4 4890 B21R3.3821104 Cc1cnc2[nH]cc(c2c1)SCc3ccnc(c3)Cl 62a_100000764220_100010246215 [0,2,0,0,0,0|2,0,0]=4 4891 B21R3.3821104 Clc1cc(ccn1)CSc2c[nH]c3c2cc(cn3)Br 62a_100000764220_100011290788 [0,2,0,0,0,0|2,0,0]=4 4892 B21R3.3821104 Clc1cc(ccn1)CSc2c[nH]c3c2cc(cn3)Br 62a_100011290788_100000764220 [0,2,0,0,0,0|2,0,0]=4 4893 B21R3.3821104 Clc1cc(ccn1)CSc2c[nH]c3c2cc(nc3)Cl 62a_100000764220_100010168685 [0,2,0,0,0,0|2,0,0]=4 4894 B21R3.3821104 Clc1cc(ccn1)CSc2c[nH]c3c2nc(cc3)Br 62a_100000764220_100010168532 [0,2,0,0,0,0|2,0,0]=4 4895 B21R3.3821104 Clc1cc(ccn1)CSc2c[nH]c3c2nc(cc3)Br 62a_100010168532_100000764220 [0,2,0,0,0,0|2,0,0]=4 4896 B21R3.3821104 Clc1cc(ccn1)CSc2c[nH]c3c2nc(cc3)Cl 62a_100000764220_100010168529 [0,2,0,0,0,0|2,0,0]=4 4897 B21R3.3821104 Clc1cc(ccn1)CSc2n[nH]c3c2cc(cc3)Br 62a_100000764220_100010186058 [0,2,0,0,0,0|2,0,0]=4 4898 B21R3.3821104 Clc1cc2c(c[nH]c2cn1)SCc3ccnc(c3)Br 62a_100010254460_100010168685 [0,2,0,0,0,0|2,0,0]=4 4899 B21R3.3821104 Clc1ccc2[nH]cc(c2n1)SCc3ccnc(c3)Br 62a_100010254460_100010168529 [0,2,0,0,0,0|2,0,0]=4 4900 B21R3.3821104 Clc1ccc2[nH]nc(c2c1)SCc3ccnc(c3)Br 62a_100010254460_100010174404 [0,2,0,0,0,0|2,0,0]=4 4901 B21R3.3821104 Clc1ccc2[nH]nc(c2c1)SCc3ccnc(c3)Cl 62a_100000764220_100010174404 [0,2,0,0,0,0|2,0,0]=4 4902 B21R3.3821104 Clc1ccc2scc(c2c1)COc3ccnc(c3)Cl 34a_100000762945_100009814428 [0,2,0,0,0,0|2,0,0]=4 4903 B21R3.3821104 Clc1ccc2scc(c2c1)CSc3ccnc(c3)Cl 62a_100000035001_100009814428 [0,2,0,0,0,0|2,0,0]=4 4904 B21R3.3821104 Clc1ccc2scc(c2c1)CSc3ccnc(c3)Cl 62a_100009814428_100000035001 [0,2,0,0,0,0|2,0,0]=4 4905 B21R3.3821104 Clc1cnc2[nH]cc(c2c1)SCc3ccnc(c3)Br 62a_100010254460_100000050100 [0,2,0,0,0,0|2,0,0]=4 4906 B21R3.3821104 Clc1cnc2[nH]cc(c2c1)SCc3ccnc(c3)Cl 62a_100000764220_100000050100 [0,2,0,0,0,0|2,0,0]=4 4907 B21R3.3821104 Fc1cc(ccn1)OCc2csc3c2cc(cc3)Cl 34a_100000732698_100009814428 [0,2,0,0,0,0|2,0,0]=4 4908 B21R3.3821104 Fc1cc(ccn1)SCc2csc3c2cc(cc3)Cl 62a_100009814428_100009816116 [0,2,0,0,0,0|2,0,0]=4 4909 B21R3.3821104 Fc1cc(ccn1)SCc2csc3c2cc(cc3)Cl 62a_100009816116_100009814428 [0,2,0,0,0,0|2,0,0]=4 4910 B21R3.3821104 Fc1ccc2[nH]nc(c2c1)SCc3ccnc(c3)Br 62a_100010254460_100011934747 [0,2,0,0,0,0|2,0,0]=4 4911 B21R3.3821104 Fc1ccc2[nH]nc(c2c1)SCc3ccnc(c3)Cl 62a_100000764220_100011934747 [0,2,0,0,0,0|2,0,0]=4 4912 B21R3.3821104 Fc1ccc2scc(c2c1)COc3ccnc(c3)Cl 34a_100000762945_100010109839 [0,2,0,0,0,0|2,0,0]=4 4913 B21R3.3821104 Fc1ccc2scc(c2c1)COc3ccnc(c3)F 34a_100000732698_100010109839 [0,2,0,0,0,0|2,0,0]=4 4914 B21R3.3821104 Fc1ccc2scc(c2c1)CSc3ccnc(c3)Br 62a_100009814637_100010109839 [0,2,0,0,0,0|2,0,0]=4 4915 B21R3.3821104 Fc1ccc2scc(c2c1)CSc3ccnc(c3)Br 62a_100010109839_100009814637 [0,2,0,0,0,0|2,0,0]=4 4916 B21R3.3821104 Fc1ccc2scc(c2c1)CSc3ccnc(c3)Cl 62a_100000035001_100010109839 [0,2,0,0,0,0|2,0,0]=4 4917 B21R3.3821104 Fc1ccc2scc(c2c1)CSc3ccnc(c3)Cl 62a_100010109839_100000035001 [0,2,0,0,0,0|2,0,0]=4 4918 B21R3.3821104 Fc1ccc2scc(c2c1)CSc3ccnc(c3)F 62a_100009816116_100010109839 [0,2,0,0,0,0|2,0,0]=4 4919 B21R3.3821104 Fc1ccc2scc(c2c1)CSc3ccnc(c3)F 62a_100010109839_100009816116 [0,2,0,0,0,0|2,0,0]=4 4920 B21R3.3821104 Fc1cnc2[nH]cc(c2c1)SCc3ccnc(c3)Br 62a_100010254460_100010168383 [0,2,0,0,0,0|2,0,0]=4 4921 B21R3.3821104 Fc1cnc2[nH]cc(c2c1)SCc3ccnc(c3)Cl 62a_100000764220_100010168383 [0,2,0,0,0,0|2,0,0]=4 4922 B21R3.3821104 Nc1cc(ccn1)OCc2csc3c2cc(cc3)Cl 34a_100011834064_100009814428 [0,2,0,0,0,0|2,0,0]=4 4923 B21R3.3821104 Nc1cc(ccn1)OCc2csc3c2cc(cc3)F 34a_100011834064_100010109839 [0,2,0,0,0,0|2,0,0]=4 4924 B21R3.3821104 Nc1cc(ccn1)SCc2csc3c2cc(cc3)Cl 62a_100000049665_100009814428 [0,2,0,0,0,0|2,0,0]=4 4925 B21R3.3821104 Nc1cc(ccn1)SCc2csc3c2cc(cc3)Cl 62a_100009814428_100000049665 [0,2,0,0,0,0|2,0,0]=4 4926 B21R3.3821104 Nc1cc(ccn1)SCc2csc3c2cc(cc3)F 62a_100000049665_100010109839 [0,2,0,0,0,0|2,0,0]=4 4927 B21R3.3821104 Nc1cc(ccn1)SCc2csc3c2cc(cc3)F 62a_100010109839_100000049665 [0,2,0,0,0,0|2,0,0]=4 4928 B21R3.3821104 Nc1ccc2[nH]nc(c2c1)SCc3ccnc(c3)Br 62a_100010254460_100012353729 [0,2,0,0,0,0|2,0,0]=4 4929 B21R3.3821104 Nc1ccc2[nH]nc(c2c1)SCc3ccnc(c3)Cl 62a_100000764220_100012353729 [0,2,0,0,0,0|2,0,0]=4 4930 B21R3.3821104 Nc1ccc2scc(c2c1)SCc3ccnc(c3)Br 62a_100010254460_100011178648 [0,2,0,0,0,0|2,0,0]=4 4931 B21R3.3821104 Nc1ccc2scc(c2c1)SCc3ccnc(c3)Br 62a_100011178648_100010243470 [0,2,0,0,0,0|2,0,0]=4 4932 B21R3.3821104 Nc1ccc2scc(c2c1)SCc3ccnc(c3)Cl 62a_100000764220_100011178648 [0,2,0,0,0,0|2,0,0]=4 4933 B21R3.3821104 Nc1ccc2scc(c2c1)SCc3ccnc(c3)Cl 62a_100011178648_100000764220 [0,2,0,0,0,0|2,0,0]=4 4934 B21R3.3821104 Nc1cnc2[nH]cc(c2c1)SCc3ccnc(c3)Br 62a_100010254460_100010168510 [0,2,0,0,0,0|2,0,0]=4 4935 B21R3.3821104 Nc1cnc2[nH]cc(c2c1)SCc3ccnc(c3)Cl 62a_100000764220_100010168510 [0,2,0,0,0,0|2,0,0]=4 4936 B21R3.7440193 Cc1cc(ccn1)CSc2cn(c3c2cccn3)C 62a_200020672517_100010205794 [0,2,0,0,0,0|2,0,0]=4 4937 B21R3.7440193 Cc1cc(ccn1)CSc2nn(c3c2cccc3)C 62a_100009817141_200020672517 [0,2,0,0,0,0|2,0,0]=4 4938 B21R3.7440193 Cc1cc(ccn1)CSc2nn(c3c2cccc3)C 62a_200020672517_100009817141 [0,2,0,0,0,0|2,0,0]=4 4939 B21R3.7440193 Cc1cc(ccn1)NCc2cn(c3c2cccc3)C 27a_100011997738_100000758586 [0,2,0,0,0,0|1,0,0]=3 4940 B21R3.7440193 Cc1cc(ccn1)NCc2nn(c3c2cccc3)C 27a_200011934655_100000758586 [0,2,0,0,0,0|2,0,0]=4 4941 B21R3.7440193 Cc1cc(ncn1)NCc2cn(c3c2cccc3)C 27a_100011997738_100000744208 [0,2,0,0,0,0|2,0,0]=4 4942 B21R3.7440193 Cc1nccc(n1)NCc2cn(c3c2cccc3)C 27a_100011997738_100000749937 [0,2,0,0,0,0|2,0,0]=4 4943 B21R3.7440193 Cn1cc(c2c1cccc2)CNc3cc(ncn3)F 27a_100011997738_200009880791 [0,2,0,0,0,0|2,0,0]=4 4944 B21R3.7440193 Cn1cc(c2c1cccc2)CNc3cc(ncn3)N 27a_100011997738_100000701291 [0,2,0,0,0,0|2,0,0]=4 4945 B21R3.7440193 Cn1cc(c2c1cccc2)CNc3cc(ncn3)O 27a_100011997738_100000765262 [0,2,0,0,0,0|2,0,0]=4 4946 B21R3.7440193 Cn1cc(c2c1cccc2)CNc3cc[nH]c(=O)c3 27a_100011997738_100000061649 [0,2,0,0,0,0|1,0,1]=4 4947 B21R3.7440193 Cn1cc(c2c1cccc2)CNc3ccnc(c3)F 27a_100011997738_100009816116 [0,2,0,0,0,0|1,0,0]=3 4948 B21R3.7440193 Cn1cc(c2c1cccc2)CNc3ccnc(n3)N 27a_100011997738_100000055538 [0,2,0,0,0,0|2,0,0]=4 4949 B21R3.7440193 Cn1cc(c2c1nccc2)SCc3ccnc(c3)Br 62a_100010254460_100010205794 [0,2,0,0,0,0|2,0,0]=4 4950 B21R3.7440193 Cn1cc(c2c1nccc2)SCc3ccnc(c3)Cl 62a_100000764220_100010205794 [0,2,0,0,0,0|2,0,0]=4 4951 B21R3.7440193 Cn1nc(c2c1cccc2)CNc3ccnc(c3)F 27a_200011934655_100009816116 [0,2,0,0,0,0|2,0,0]=4 4952 B21R3.7440193 Cn1nc(c2c1cccc2)SCc3ccnc(c3)Br 62a_100009817141_100010243470 [0,2,0,0,0,0|2,0,0]=4 4953 B21R3.7440193 Cn1nc(c2c1cccc2)SCc3ccnc(c3)Br 62a_100010254460_100009817141 [0,2,0,0,0,0|2,0,0]=4 4954 B21R3.7440193 Cn1nc(c2c1cccc2)SCc3ccnc(c3)Cl 62a_100000764220_100009817141 [0,2,0,0,0,0|2,0,0]=4 4955 B21R3.7440193 Cn1nc(c2c1cccc2)SCc3ccnc(c3)Cl 62a_100009817141_100000764220 [0,2,0,0,0,0|2,0,0]=4 4956 B21R3.237366 Fc1c(ccc2c1c(n[nH]2)SCc3ccncc3)Br 62a_100015193705_200010232220 [0,2,0,0,0,0|2,0,0]=4 4957 B21R3.237366 Fc1c(ccc2c1c(n[nH]2)SCc3ccncc3)Br 62a_200010232220_100015193705 [0,2,0,0,0,0|2,0,0]=4 4958 B21R3.437304 Cc1ccc2c(c1)c(nn2C)SCc3ccncc3 62a_100015193705_100000123007 [0,2,0,0,0,0|2,0,0]=4 4959 B21R3.437304 Cn1cc(c2c1ccc(c2)Br)CNc3ccccc3 270302a_100000106764_100009812439 [0,2,0,0,0,0|2,0,0]=4 4960 B21R3.437304 Cn1nc(c2c1ccc(c2)Br)SCc3ccncc3 62a_100010161270_100015193705 [0,2,0,0,0,0|2,0,0]=4 4961 B21R3.437304 Cn1nc(c2c1ccc(c2)Br)SCc3ccncc3 62a_100015193705_100010161270 [0,2,0,0,0,0|2,0,0]=4 4962 B21R3.437304 Cn1nc(c2c1ccc(c2)F)SCc3ccncc3 62a_100015193705_200000123018 [0,2,0,0,0,0|2,0,0]=4 4963 B21R3.437304 Cn1nc(c2c1ccc(c2)F)SCc3ccncc3 62a_200000123018_100015193705 [0,2,0,0,0,0|2,0,0]=4 4964 B21R3.437304 Cn1nc(c2c1ccc(c2)N)SCc3ccncc3 62a_100010234897_100015193705 [0,2,0,0,0,0|2,0,0]=4 4965 B21R3.437304 Cn1nc(c2c1ccc(c2)N)SCc3ccncc3 62a_100015193705_100010234897 [0,2,0,0,0,0|2,0,0]=4 4966 B21R3.857491 COc1cc2c(c[nH]c2cn1)SCc3ccncc3 62a_100015193705_200010163580 [0,2,0,0,0,0|2,0,0]=4 4967 B21R3.857491 COc1ccc2[nH]cc(c2c1)CNc3ccncn3 27a_100000084035_100000703185 [0,2,0,0,0,0|2,0,0]=4 4968 B21R3.857491 COc1ccc2[nH]cc(c2n1)SCc3ccncc3 62a_100015193705_100010199035 [0,2,0,0,0,0|2,0,0]=4 4969 B21R3.857491 COc1ccc2[nH]nc(c2c1)SCc3ccncc3 62a_100015193705_100012353730 [0,2,0,0,0,0|2,0,0]=4 4970 B21R3.857491 COc1cnc2[nH]cc(c2c1)SCc3ccncc3 62a_100015193705_100010199036 [0,2,0,0,0,0|2,0,0]=4 4971 B21R3.857491 N#Cc1ccc2[nH]nc(c2c1)SCc3ccncc3 62a_100015193705_200009888970 [0,2,0,0,0,0|2,0,0]=4 4972 B21R3.857491 O=Cc1ccc2[nH]nc(c2c1)SCc3ccncc3 62a_100015193705_100009817145 [0,2,0,0,0,0|2,0,0]=4 4973 B21R3.857491 O=Cc1cnc2[nH]cc(c2c1)SCc3ccncc3 62a_100015193705_100010195497 [0,2,0,0,0,0|2,0,0]=4 4974 B21R3.398704 Cc1cccc2c1c(nn2C)SCc3ccncc3 62a_100015193705_100000123023 [0,2,0,0,0,0|2,0,0]=4 4975 B21R3.398704 Cn1nc(c2c1cccc2F)SCc3ccncc3 62a_100015193705_200010161262 [0,2,0,0,0,0|2,0,0]=4 4976 B21R3.398704 Cn1nc(c2c1cccc2F)SCc3ccncc3 62a_200010161262_100015193705 [0,2,0,0,0,0|2,0,0]=4 4977 B21R3.398704 Cn1nc(c2c1cccc2N)SCc3ccncc3 62a_100010235561_100015193705 [0,2,0,0,0,0|2,0,0]=4 4978 B21R3.398704 Cn1nc(c2c1cccc2N)SCc3ccncc3 62a_100015193705_100010235561 [0,2,0,0,0,0|2,0,0]=4 4979 B21R3.733169 COc1cccc2c1c(n[nH]2)SCc3ccncc3 62a_100015193705_100010231497 [0,2,0,0,0,0|2,0,0]=4 4980 B21R3.733169 COc1nccc2c1c(c[nH]2)SCc3ccncc3 62a_100015193705_100010206807 [0,2,0,0,0,0|2,0,0]=4 4981 B21R3.733169 N#Cc1cccc2c1c(c[nH]2)SCc3ccccc3 62a_100000211182_100012350721 [0,2,0,0,0,0|2,0,0]=4 4982 B21R3.733169 N#Cc1cccc2c1c(c[nH]2)SCc3ccncc3 62a_100015193705_100012350721 [0,2,0,0,0,0|1,0,0]=3 4983 B21R3.733169 N#Cc1cccc2c1c(n[nH]2)SCc3ccncc3 62a_100015193705_100010204399 [0,2,0,0,0,0|2,0,0]=4 4984 B21R3.3619366 CCn1nc(c2c1cccc2)SCc3ccncc3 62a_100015193705_200010288290 [0,2,0,0,0,0|2,0,0]=4 4985 B19R3.4447 c1ccc2c(c[nH]c2c1)CCOc3ccsc3 34a_100000106738_100011218569 [0,0,1,1,0,0|2,0,0]=4 4986 B19R3.4447 c1ccc2c(c[nH]c2c1)CCOc3ccsc3 7a_100000106738_100011218569 [0,0,1,1,0,0|2,0,0]=4 4987 B19R3.4447 c1ccc2c(c[nH]c2c1)CCSc3ccoc3 62a_100011215275_100011218569 [0,0,1,1,0,0|2,0,0]=4 4988 B19R3.4447 c1ccc2c(c[nH]c2c1)CCSc3ccsc3 62a_100000738268_100011218569 [0,0,1,1,0,0|2,0,0]=4 4989 B19R3.4447 c1ccc2c(c[nH]c2c1)CCSc3cn[nH]c3 62a_100000238712_100011218569 [0,0,1,1,0,0|2,0,0]=4 4990 B19R3.4447 c1ccc2c(c[nH]c2c1)CCSc3cnco3 62a_100020591547_100011218569 [0,0,1,1,0,0|2,0,0]=4 4991 B19R3.4447 c1ccc2c(c[nH]c2c1)CCSc3cncs3 62a_100011934649_100011218569 [0,0,1,1,0,0|2,0,0]=4 4992 B19R3.4447 c1ccc2c(c[nH]c2c1)CCSc3cnoc3 62a_100009815712_100011218569 [0,0,1,1,0,0|2,0,0]=4 4993 B19R3.4447 c1ccc2c(c[nH]c2c1)CCSc3cnsc3 62a_100009815736_100011218569 [0,0,1,1,0,0|2,0,0]=4 4994 B19R3.28 c1ccc(cc1)Nc2ccnc3c2cncc3 27a_100000106764_100000095135 [0,0,1,1,0,0|1,0,1]=4 4995 B19R3.5517 Nc1ccccc1c2ccc3ccncc3c2 271570a_100000034411_100000686496 [0,0,1,1,0,0|0,0,2]=4 4996 B19R3.5517 Nc1ccccc1c2ccc3ccncc3c2 271570a_100000068421_100000210017 [0,0,1,1,0,0|0,0,2]=4 4997 B19R3.19255 c1ccn2cc(nc2c1)COc3ccncc3 34a_100000212176_100000689847 [0,0,1,1,0,0|2,0,0]=4 4998 B19R3.19255 c1ccn2cc(nc2c1)CSc3ccncc3 62a_100000689847_100000728582 [0,0,1,1,0,0|2,0,0]=4 4999 B19R3.19255 c1ccn2cc(nc2c1)CSc3ccncc3 62a_100000728582_100000689847 [0,0,1,1,0,0|2,0,0]=4 5000 B19R3.19255 c1ccn2cc(nc2c1)SCc3ccncc3 62a_100015193705_100009819586 [0,0,1,1,0,0|2,0,0]=4 5001 B19R3.19245 C1=Cc2cccc(c2C1)SCc3ccncc3 62a_100009844718_100015193705 [0,0,1,1,0,0|2,0,0]=4 5002 B19R3.19245 C1=Cc2cccc(c2C1)SCc3ccncc3 62a_100015193705_100009844718 [0,0,1,1,0,0|2,0,0]=4 5003 B19R3.19245 c1cc(c2[nH]ccc2c1)NCc3ccncc3 207a_100000685717_100000186114 [0,0,1,1,0,0|1,0,0]=3 5004 B19R3.19245 c1cc(c2[nH]ccc2c1)SCc3ccncc3 62a_100015193705_100009813418 [0,0,1,1,0,0|1,0,0]=3 5005 B19R3.19245 c1cc(c2[nH]cnc2c1)NCc3ccncc3 207a_100000740404_100000186114 [0,0,1,1,0,0|2,0,0]=4 5006 B19R3.19245 c1cc(c2[nH]ncc2c1)COc3ccncc3 34a_100000212176_100000099550 [0,0,1,1,0,0|2,0,0]=4 5007 B19R3.19245 c1cc(c2[nH]ncc2c1)CSc3ccncc3 62a_100000728582_100000099550 [0,0,1,1,0,0|2,0,0]=4 5008 B19R3.19245 c1cc(c2[nH]ncc2c1)NCc3ccncc3 207a_100000026944_100000186114 [0,0,1,1,0,0|2,0,0]=4 5009 B19R3.19245 c1cc(c2[nH]ncc2c1)SCc3ccncc3 62a_100015193705_100009816125 [0,0,1,1,0,0|2,0,0]=4 5010 B19R3.19245 c1cc(c2occc2c1)SCc3ccncc3 62a_100015193705_100011935138 [0,0,1,1,0,0|2,0,0]=4 5011 B19R3.19245 c1cc(c2sccc2c1)COc3ccncc3 34a_100000212176_100009816938 [0,0,1,1,0,0|2,0,0]=4 5012 B19R3.19245 c1cc(c2sccc2c1)CSc3ccncc3 62a_100000728582_100009816938 [0,0,1,1,0,0|2,0,0]=4 5013 B19R3.19245 c1cc(c2sccc2c1)SCc3ccncc3 62a_100015193705_100000766737 [0,0,1,1,0,0|2,0,0]=4 5014 B19R3.19245 c1cc(ccn1)CSc2ccnc3c2[nH]cc3 62a_100015193705_100000087553 [0,0,1,1,0,0|2,0,0]=4 5015 B19R3.19245 c1cc(ccn1)CSc2cncc3c2[nH]cc3 62a_100015193705_100000217057 [0,0,1,1,0,0|2,0,0]=4 5016 B19R3.19245 c1cc(ccn1)CSc2nccc3c2[nH]cc3 62a_100015193705_100000060748 [0,0,1,1,0,0|2,0,0]=4 5017 B19R3.19245 c1ccc(cc1)CNc2cccc3c2[nH]cc3 207a_100000685717_100015611070 [0,0,1,1,0,0|2,0,0]=4 5018 B19R3.19245 c1ccc(cc1)CSc2cccc3c2[nH]cc3 62a_100000211182_100009813418 [0,0,1,1,0,0|2,0,0]=4 5019 B19R3.19245 c1ccc(cc1)NCc2cccc3c2[nH]cc3 207a_100000106764_100000750900 [0,0,1,1,0,0|2,0,0]=4 5020 B19R3.19268 c1cc(ccn1)CSc2ccc3ccnn3c2 62a_100015193705_100009820231 [0,0,1,1,0,0|2,0,0]=4 5021 B19R3.19268 c1cc(ccn1)CSc2ccc3cncn3c2 62a_100015193705_100009887162 [0,0,1,1,0,0|2,0,0]=4 5022 B19R3.19268 c1cc(ccn1)CSc2ccc3nccn3c2 62a_100000746083_100015193705 [0,0,1,1,0,0|2,0,0]=4 5023 B19R3.19268 c1cc(ccn1)CSc2ccc3nccn3c2 62a_100015193705_100000746083 [0,0,1,1,0,0|2,0,0]=4 5024 B21R4.47 c1ccc2c(c[nH]c2c1)c3c[nH]c4c3cncc4 271570a_100012356747_100011934843 [0,0,0,1,0,1|0,0,2]=4 5025 B21R4.47 c1ccc2c(c[nH]c2c1)c3csc4c3cncc4 271570a_100012356747_100010247091 [0,0,0,1,0,1|0,0,2]=4 5026 B21R4.47 c1ccc2c(c[nH]c2c1)c3n[nH]c4c3cncc4 271570a_100012356747_100010724670 [0,0,0,1,0,1|1,0,1]=4 5027 B21R4.48 c1ccc2c(c1)CC2Oc3csc4c3cccc4 7a_100000077758_100009813401 [0,0,0,1,0,1|2,0,0]=4 5028 B21R4.48 c1ccc2c(c1)CC2Sc3c[nH]c4c3cccn4 62a_100009813401_100011934613 [0,0,0,1,0,1|2,0,0]=4 5029 B21R4.48 c1ccc2c(c1)CC2Sc3c[nH]c4c3ccnc4 62a_100009813401_100010232032 [0,0,0,1,0,1|2,0,0]=4 5030 B21R4.48 c1ccc2c(c1)CC2Sc3c[nH]c4c3cncc4 62a_100009813401_100000753697 [0,0,0,1,0,1|2,0,0]=4 5031 B21R4.48 c1ccc2c(c1)CC2Sc3c[nH]c4c3nccc4 62a_100009813401_100009817151 [0,0,0,1,0,1|2,0,0]=4 5032 B21R4.48 c1ccc2c(c1)CC2Sc3coc4c3cccc4 62a_100009813401_100009812202 [0,0,0,1,0,1|2,0,0]=4 5033 B21R4.48 c1ccc2c(c1)CC2Sc3csc4c3cccc4 62a_100009813401_100009813928 [0,0,0,1,0,1|2,0,0]=4 5034 B21R4.48 c1ccc2c(c1)CC2Sc3n[nH]c4c3cccc4 62a_100009813401_100000050141 [0,0,0,1,0,1|2,0,0]=4 5035 B17R2.262 C=Cc1ccccc1NCc2ccncc2 207a_100012022501_100000186114 [0,0,1,0,1,0|2,0,0]=4 5036 B17R2.262 C=Cc1ccccc1SCc2ccncc2 62a_100011218376_100015193705 [0,0,1,0,1,0|2,0,0]=4 5037 B17R2.262 C=Cc1ccccc1SCc2ccncc2 62a_100015193705_100011218376 [0,0,1,0,1,0|2,0,0]=4 5038 B17R2.262 CNc1ccccc1SCc2ccncc2 62a_100015193705_100020606079 [0,0,1,0,1,0|1,0,1]=4 5039 B17R2.262 CNc1ccccc1SCc2ccncc2 62a_100020606079_100015193705 [0,0,1,0,1,0|1,0,1]=4 5040 B17R2.262 NNc1ccccc1SCc2ccncc2 62a_100000241748_100015193705 [0,0,1,0,1,0|2,0,0]=4 5041 B17R2.262 NNc1ccccc1SCc2ccncc2 62a_100015193705_100000241748 [0,0,1,0,1,0|2,0,0]=4 5042 B17R2.2382 C(=C/c1ccccc1)\CNc2ccccc2 34a_100000106764_100016265936 [0,0,1,0,1,0|2,0,0]=4 5043 B17R2.2382 C(=C/c1ccccc1)\CNc2ccncn2 27a_100020603302_100000703185 [0,0,1,0,1,0|2,0,0]=4 5044 B17R2.2382 C(=C/c1ccccc1)\COc2ccccc2 34a_100000210340_100016265936 [0,0,1,0,1,0|2,0,0]=4 5045 B17R2.2382 C(=C/c1ccccc1)\COc2ccccc2 7a_100000210340_100016265936 [0,0,1,0,1,0|2,0,0]=4 5046 B17R2.2382 C(=C/c1ccccc1)\COc2ccncc2 34a_100000212176_100016265936 [0,0,1,0,1,0|1,0,0]=3 5047 B17R2.2382 C(=C/c1ccccc1)\COc2ccnnc2 34a_100015204005_100016265936 [0,0,1,0,1,0|2,0,0]=4 5048 B17R2.2382 C(=C/c1ccccc1)\CSc2ccccc2 62a_100000719477_100016265936 [0,0,1,0,1,0|2,0,0]=4 5049 B17R2.2382 C(=C/c1ccccc1)\CSc2ccccc2 62a_100016265936_100000041952 [0,0,1,0,1,0|2,0,0]=4 5050 B17R2.2382 C(=C/c1ccccc1)\CSc2ccncc2 62a_100000728582_100016265936 [0,0,1,0,1,0|1,0,0]=3 5051 B17R2.2382 C(=C/c1ccccc1)\CSc2ccncc2 62a_100016265936_100000728582 [0,0,1,0,1,0|1,0,0]=3 5052 B17R2.2382 C(=C/c1ccccc1)\CSc2ccncn2 62a_100000703185_100016265936 [0,0,1,0,1,0|2,0,0]=4 5053 B17R2.2382 C(=C/c1ccccc1)\CSc2ccncn2 62a_100016265936_100000703185 [0,0,1,0,1,0|2,0,0]=4 5054 B17R2.2382 C(=C/c1ccccc1)\CSc2ccnnc2 62a_100000732662_100016265936 [0,0,1,0,1,0|2,0,0]=4 5055 B17R2.2382 C(=C/c1ccccc1)\CSc2ccnnc2 62a_100016265936_100000732662 [0,0,1,0,1,0|2,0,0]=4 5056 B17R2.2382 C(=NNCc1ccncc1)c2ccccc2 4a_100000736929_100015611070 [0,0,1,0,1,0|2,0,0]=4 5057 B17R2.2382 C(=NNc1ccccc1)Cc2ccccc2 4a_100015195140_100000209964 [0,0,1,0,1,0|2,0,0]=4 5058 B17R2.2382 c1ccc(cc1)CCCNc2ccccc2 34a_100000106764_100000211621 [0,0,1,0,1,0|1,0,1]=4 5059 B17R2.2382 c1ccc(cc1)CNCCc2ccncc2 207a_100000742849_100015611070 [0,0,1,0,1,0|1,0,1]=4 5060 B17R2.2382 c1ccc(cc1)CNCCc2ccncc2 2230a_100015324214_100000723409 [0,0,1,0,1,0|1,0,1]=4 5061 B17R2.2382 c1ccc(cc1)CNCCc2ccncc2 270004a_100000742849_100015611070 [0,0,1,0,1,0|1,0,1]=4 5062 B17R2.2382 c1ccc(cc1)COCCc2ccncc2 34a_100011216225_100015291786 [0,0,1,0,1,0|1,0,1]=4 5063 B17R2.2382 c1ccc(cc1)COCCc2ccncc2 7a_100000210790_100000723409 [0,0,1,0,1,0|1,0,1]=4 5064 B17R2.2382 c1ccc(cc1)CSCCc2ccncc2 62a_100000211182_100000723409 [0,0,1,0,1,0|1,0,1]=4 5065 B17R2.2382 c1ccc(cc1)CSCCc2ccncc2 62a_100000723409_100015291786 [0,0,1,0,1,0|1,0,1]=4 5066 B17R2.3417 Cc1ccccc1C(=O)Cc2ccncc2 1458a_100000212026_100000705612 [0,0,1,0,1,0|2,0,0]=4 5067 B17R2.3417 O=C(Cc1ccncc1)c2ccccc2Br 1458a_100000188424_100000705612 [0,0,1,0,1,0|2,0,0]=4 5068 B17R2.3417 O=C(Cc1ccncc1)c2ccccc2Cl 1458a_100000185844_100000705612 [0,0,1,0,1,0|2,0,0]=4 5069 B17R2.3417 O=C(Cc1ccncc1)c2ccccc2F 1458a_100000188656_100000705612 [0,0,1,0,1,0|2,0,0]=4 5070 B17R2.3417 O=C(Cc1ccncc1)c2ccccc2I 1458a_100000187884_100000705612 [0,0,1,0,1,0|2,0,0]=4 5071 B17R2.3417 O=C(Cc1ccncc1)c2ccccc2O 1458a_100015234032_100000705612 [0,0,1,0,1,0|2,0,0]=4 5072 B17R2.3417 O=C(Cc1ccncc1)c2ccccc2[O-] 1458a_100009911694_100000705612 [0,0,1,0,1,0|2,0,0]=4 5073 B17R3.8 c1cc(ccn1)c2c[nH]c3c2ccnc3 271570a_100000752145_100010232032 [0,0,0,0,2,0|1,0,0]=3 5074 B17R3.8 c1cc(ccn1)c2c[nH]c3c2cncc3 271570a_100000752145_100011934843 [0,0,0,0,2,0|1,0,0]=3 5075 B17R3.8 c1cc(ccn1)c2c[nH]c3c2cncn3 271570a_100000752145_100009817560 [0,0,0,0,2,0|2,0,0]=4 5076 B17R3.8 c1cc(ccn1)c2csc3c2ccnc3 271570a_100000752145_100009817111 [0,0,0,0,2,0|2,0,0]=4 5077 B17R3.8 c1cc(ccn1)c2csc3c2cncc3 271570a_100000752145_100010247091 [0,0,0,0,2,0|2,0,0]=4 5078 B17R3.8 c1cc(ccn1)c2n[nH]c3c2ccnc3 271570a_100000752145_100010244369 [0,0,0,0,2,0|2,0,0]=4 5079 B17R3.8 c1cc(ccn1)c2n[nH]c3c2cncc3 271570a_100000752145_100010724670 [0,0,0,0,2,0|2,0,0]=4 5080 B17R3.8 c1ccc(cc1)c2c[nH]c3c2cccc3 271570a_100012356747_100000210277 [0,0,0,0,2,0|1,0,0]=3 5081 B17R3.8 c1ccc(cc1)c2c[nH]c3c2cccn3 271570a_100000695875_100000210277 [0,0,0,0,2,0|2,0,0]=4 5082 B17R3.8 c1ccc(cc1)c2c[nH]c3c2cccn3 271570a_100011218836_100011934613 [0,0,0,0,2,0|2,0,0]=4 5083 B17R3.8 c1ccc(cc1)c2c[nH]c3c2ccnc3 271570a_100011218836_100010232032 [0,0,0,0,2,0|2,0,0]=4 5084 B17R3.8 c1ccc(cc1)c2c[nH]c3c2cncc3 271570a_100011218836_100011934843 [0,0,0,0,2,0|2,0,0]=4 5085 B17R3.8 c1ccc(cc1)c2c[nH]c3c2nccc3 271570a_100011218836_100009817151 [0,0,0,0,2,0|2,0,0]=4 5086 B17R3.8 c1ccc(cc1)c2coc3c2cccc3 271570a_100000084643_100000210277 [0,0,0,0,2,0|2,0,0]=4 5087 B17R3.8 c1ccc(cc1)c2coc3c2cccc3 271570a_100011218836_100009812202 [0,0,0,0,2,0|2,0,0]=4 5088 B17R3.8 c1ccc(cc1)c2csc3c2cccc3 271570a_100000038073_100000210277 [0,0,0,0,2,0|2,0,0]=4 5089 B17R3.8 c1ccc(cc1)c2csc3c2cccc3 271570a_100011218836_100009813928 [0,0,0,0,2,0|2,0,0]=4 5090 B17R3.8 c1ccc(cc1)c2n[nH]c3c2cccc3 271570a_100011218836_100000050141 [0,0,0,0,2,0|2,0,0]=4 5091 B17R3.8 c1ccc(nc1)c2c[nH]c3c2cccc3 271570a_100012356747_100011216584 [0,0,0,0,2,0|2,0,0]=4 5092 B17R3.8 c1ccc2c(c[nH]c2c1)c3ccncc3 271570a_100012356747_100000035832 [0,0,0,0,2,0|0,0,0]=2 5093 B17R3.8 c1ccc2c(c[nH]c2c1)c3ccncn3 271570a_100012356747_100000703185 [0,0,0,0,2,0|1,0,0]=3 5094 B17R3.8 c1ccc2c(c[nH]c2c1)c3ccnnc3 271570a_100012356747_100000732662 [0,0,0,0,2,0|1,0,0]=3 5095 B17R3.8 c1ccc2c(c[nH]c2c1)c3cnnnc3 271570a_100012356747_100009846058 [0,0,0,0,2,0|2,0,0]=4 5096 B17R3.8 c1ccc2c(coc2c1)c3ccncc3 271570a_100000084643_100000035832 [0,0,0,0,2,0|1,0,0]=3 5097 B17R3.8 c1ccc2c(coc2c1)c3ccncc3 271570a_100000752145_100009812202 [0,0,0,0,2,0|1,0,0]=3 5098 B17R3.8 c1ccc2c(coc2c1)c3ccncn3 271570a_100000084643_100000703185 [0,0,0,0,2,0|2,0,0]=4 5099 B17R3.8 c1ccc2c(coc2c1)c3ccnnc3 271570a_100000084643_100000732662 [0,0,0,0,2,0|2,0,0]=4 5100 B17R3.8 c1ccc2c(csc2c1)c3ccncc3 271570a_100000038073_100000035832 [0,0,0,0,2,0|1,0,0]=3 5101 B17R3.8 c1ccc2c(csc2c1)c3ccncc3 271570a_100000752145_100009813928 [0,0,0,0,2,0|1,0,0]=3 5102 B17R3.8 c1ccc2c(csc2c1)c3ccncn3 271570a_100000038073_100000703185 [0,0,0,0,2,0|2,0,0]=4 5103 B17R3.8 c1ccc2c(csc2c1)c3ccnnc3 271570a_100000038073_100000732662 [0,0,0,0,2,0|2,0,0]=4 5104 B17R3.8 c1ccc2c(n[nH]c2c1)c3ccncc3 271570a_100000752145_100000050141 [0,0,0,0,2,0|1,0,0]=3 5105 B17R3.8 c1ccn2c(cnc2c1)c3ccncc3 271570a_100000752145_100011219245 [0,0,0,0,2,0|1,0,1]=4 5106 B17R3.8 c1ccn2ncc(c2c1)c3ccncc3 271570a_100000752145_100009817726 [0,0,0,0,2,0|1,0,1]=4 5107 B17R3.8 c1ccn2ncc(c2c1)c3ccncc3 271570a_100010220532_100000035832 [0,0,0,0,2,0|1,0,1]=4 5108 B17R3.8 c1cnc2[nH]cc(c2c1)c3ccncc3 271570a_100000695875_100000035832 [0,0,0,0,2,0|1,0,0]=3 5109 B17R3.8 c1cnc2[nH]cc(c2c1)c3ccncc3 271570a_100000752145_100011934613 [0,0,0,0,2,0|1,0,0]=3 5110 B17R3.8 c1cnc2[nH]cc(c2c1)c3ccncn3 271570a_100000695875_100000703185 [0,0,0,0,2,0|2,0,0]=4 5111 B17R3.8 c1cnc2[nH]cc(c2c1)c3ccnnc3 271570a_100000695875_100000732662 [0,0,0,0,2,0|2,0,0]=4 5112 B17R3.8 c1cnc2[nH]nc(c2c1)c3ccncc3 271570a_100000752145_100009888962 [0,0,0,0,2,0|2,0,0]=4 5113 B17R3.8 c1cnc2c(c[nH]c2c1)c3ccncc3 271570a_100000752145_100009817151 [0,0,0,0,2,0|1,0,0]=3 5114 B17R3.8 c1cnc2c(coc2c1)c3ccncc3 271570a_100000752145_100009889148 [0,0,0,0,2,0|2,0,0]=4 5115 B17R3.8 c1cnc2c(csc2c1)c3ccncc3 271570a_100000752145_100010247092 [0,0,0,0,2,0|2,0,0]=4 5116 B17R3.8 c1cnc2c(n[nH]c2c1)c3ccncc3 271570a_100000752145_100009817118 [0,0,0,0,2,0|2,0,0]=4 5117 B17R3.8 c1cnc2scc(c2c1)c3ccncc3 271570a_100000752145_100009830249 [0,0,0,0,2,0|2,0,0]=4 5118 B17R3.8 c1cncc(c1)c2c[nH]c3c2cccc3 271570a_100012356747_100000752921 [0,0,0,0,2,0|2,0,0]=4 5119 B19R2.3387 C=Cc1ccccc1C=NNCc2ccncc2 4a_100000736929_200011996377 [0,0,1,0,0,1|2,0,0]=4 5120 B19R2.3387 C=Cc1ccccc1COCCc2ccncc2 7a_200010883148_100000723409 [0,0,1,0,0,1|1,0,1]=4 5121 B19R2.2628 C(=C/c1ccccc1)\CNCCc2ccncc2 2230a_100020603302_100000723409 [0,0,1,0,0,1|1,0,1]=4 5122 B19R2.2628 C(=C/c1ccccc1)\COCCc2ccncc2 34a_100011216225_100016265936 [0,0,1,0,0,1|1,0,1]=4 5123 B19R2.2628 C(=C/c1ccccc1)\CSCCc2ccncc2 62a_100000723409_100016265936 [0,0,1,0,0,1|1,0,1]=4 5124 B19R2.2628 C(=C/c1ccccc1)\CSCCc2ccncc2 62a_100016265936_100000723409 [0,0,1,0,0,1|1,0,1]=4 5125 B19R2.2628 C(=Cc1ccccc1)C=NNCc2ccncc2 4a_100000736929_100000210105 [0,0,1,0,0,1|2,0,0]=4 5126 B19R2.2628 C(=Cc1ccccc1)CNCCc2ccncc2 270004a_100000742849_100000210105 [0,0,1,0,0,1|1,0,1]=4 5127 B19R2.2628 C(=NNCc1ccccc1)CCc2ccccc2 4a_100000007032_100000198083 [0,0,1,0,0,1|2,0,0]=4 5128 B19R2.2628 C(=NNc1ccccc1)CCCc2ccccc2 4a_100015195140_100011361547 [0,0,1,0,0,1|1,0,1]=4 5129 B19R2.2628 C(=NNc1ccccc1)COCc2ccccc2 4a_100015195140_100011215530 [0,0,1,0,0,1|2,0,0]=4 5130 B19R2.2628 c1ccc(cc1)CNCCCCc2ccncc2 2230a_100015324214_100020630000 [0,0,1,0,0,1|0,0,2]=4 5131 B19R2.2116 C=CC(=NNCc1ccncc1)c2ccccc2 4a_100000736929_200000750708 [0,0,1,0,0,1|2,0,0]=4 5132 B19R2.2116 C=CC(OCCc1ccncc1)c2ccccc2 7a_100011215659_100000723409 [0,0,1,0,0,1|1,0,1]=4 5133 B19R2.2116 C=CC(SCCc1ccncc1)c2ccccc2 62a_100000723409_200000085779 [0,0,1,0,0,1|1,0,1]=4 5134 B19R2.2116 C=CC(SCCc1ccncc1)c2ccccc2 62a_200000085779_100000723409 [0,0,1,0,0,1|1,0,1]=4 5135 B19R2.4485 Cc1ccccc1CC(=O)CCc2ccncc2 1458a_100000212180_100000723409 [0,0,1,0,0,1|2,0,0]=4 5136 B19R2.4485 Cc1ccccc1CC(=O)CCc2ccncc2 1458a_100011225043_100000211839 [0,0,1,0,0,1|2,0,0]=4 5137 B19R2.4485 Cc1ccccc1NC(=O)CCc2ccncc2 11a_100015192222_100011225043 [0,0,1,0,0,1|2,0,0]=4 5138 B19R2.4485 Cc1ccccc1NC(=O)CCc2ccncc2 22a_100015192222_100011225043 [0,0,1,0,0,1|2,0,0]=4 5139 B19R2.4485 Cc1ccccc1NC(=O)CCc2ccncc2 527a_100015192222_100011225043 [0,0,1,0,0,1|2,0,0]=4 5140 B19R2.4485 O=C(CCc1ccncc1)Cc2ccccc2Br 1458a_100000751119_100000723409 [0,0,1,0,0,1|2,0,0]=4 5141 B19R2.4485 O=C(CCc1ccncc1)Cc2ccccc2Br 1458a_100011225043_100000184730 [0,0,1,0,0,1|2,0,0]=4 5142 B19R2.4485 O=C(CCc1ccncc1)Cc2ccccc2Cl 1458a_100000183793_100000723409 [0,0,1,0,0,1|2,0,0]=4 5143 B19R2.4485 O=C(CCc1ccncc1)Cc2ccccc2Cl 1458a_100011225043_100000187162 [0,0,1,0,0,1|2,0,0]=4 5144 B19R2.4485 O=C(CCc1ccncc1)Cc2ccccc2F 1458a_100000212012_100000723409 [0,0,1,0,0,1|2,0,0]=4 5145 B19R2.4485 O=C(CCc1ccncc1)Cc2ccccc2F 1458a_100011225043_100000187165 [0,0,1,0,0,1|2,0,0]=4 5146 B19R2.4485 O=C(CCc1ccncc1)Cc2ccccc2I 1458a_100000036491_100000723409 [0,0,1,0,0,1|2,0,0]=4 5147 B19R2.4485 O=C(CCc1ccncc1)Cc2ccccc2I 1458a_100011225043_100011216222 [0,0,1,0,0,1|2,0,0]=4 5148 B19R2.4485 O=C(CCc1ccncc1)Cc2ccccc2O 1458a_100000743006_100000723409 [0,0,1,0,0,1|2,0,0]=4 5149 B19R2.4485 O=C(CCc1ccncc1)Nc2ccccc2Br 11a_100000210017_100011225043 [0,0,1,0,0,1|2,0,0]=4 5150 B19R2.4485 O=C(CCc1ccncc1)Nc2ccccc2Cl 11a_100000185783_100011225043 [0,0,1,0,0,1|2,0,0]=4 5151 B19R2.4485 O=C(CCc1ccncc1)Nc2ccccc2Cl 22a_100000185783_100011225043 [0,0,1,0,0,1|2,0,0]=4 5152 B19R2.4485 O=C(CCc1ccncc1)Nc2ccccc2Cl 527a_100000185783_100011225043 [0,0,1,0,0,1|2,0,0]=4 5153 B19R2.4485 O=C(CCc1ccncc1)Nc2ccccc2F 11a_100000210422_100011225043 [0,0,1,0,0,1|2,0,0]=4 5154 B19R2.4485 O=C(CCc1ccncc1)Nc2ccccc2F 22a_100000210422_100011225043 [0,0,1,0,0,1|2,0,0]=4 5155 B19R2.4485 O=C(CCc1ccncc1)Nc2ccccc2F 527a_100000210422_100011225043 [0,0,1,0,0,1|2,0,0]=4 5156 B19R2.4485 O=C(CCc1ccncc1)Nc2ccccc2I 11a_100000210053_100011225043 [0,0,1,0,0,1|2,0,0]=4 5157 B19R2.4485 O=C(CCc1ccncc1)Nc2ccccc2O 22a_100000185747_100011225043 [0,0,1,0,0,1|2,0,0]=4 5158 B19R2.4485 O=C(CCc1ccncc1)Nc2ccccc2O 527a_100000185747_100011225043 [0,0,1,0,0,1|2,0,0]=4 5159 B19R2.5666 CC(OCCc1ccncc1)c2ccccc2N 7a_100011405641_100000723409 [0,0,1,0,0,1|0,0,2]=4 5160 B19R2.5666 Cc1ccccc1C(=O)CSCc2ccncc2 62a_100000741374_100015193705 [0,0,1,0,0,1|2,0,0]=4 5161 B19R2.5666 Cc1ccccc1C(=O)CSCc2ccncc2 62a_100015193705_100000741374 [0,0,1,0,0,1|2,0,0]=4 5162 B19R2.5666 Cc1ccccc1C(=O)NCCc2ccncc2 11a_100000742849_100000212026 [0,0,1,0,0,1|2,0,0]=4 5163 B19R2.5666 Cc1ccccc1C(=O)NCCc2ccncc2 1626a_100000742849_100000212026 [0,0,1,0,0,1|2,0,0]=4 5164 B19R2.5666 Cc1ccccc1C(=O)NCCc2ccncc2 240690a_100000742849_100000212026 [0,0,1,0,0,1|2,0,0]=4 5165 B19R2.5666 Cc1ccccc1C(=O)NCCc2ccncc2 527a_100000742849_100000212026 [0,0,1,0,0,1|2,0,0]=4 5166 B19R2.5666 O=C(CCSc1ccncc1)c2ccccc2F 62a_100000086012_100000728582 [0,0,1,0,0,1|2,0,0]=4 5167 B19R2.5666 O=C(CCSc1ccncc1)c2ccccc2F 62a_100000728582_100000086012 [0,0,1,0,0,1|2,0,0]=4 5168 B19R2.5666 O=C(CCSc1ccncc1)c2ccccc2O 62a_100000728582_100009873196 [0,0,1,0,0,1|2,0,0]=4 5169 B19R2.5666 O=C(CSCc1ccncc1)c2ccccc2Br 62a_100000199116_100015193705 [0,0,1,0,0,1|2,0,0]=4 5170 B19R2.5666 O=C(CSCc1ccncc1)c2ccccc2Cl 62a_100000211432_100015193705 [0,0,1,0,0,1|2,0,0]=4 5171 B19R2.5666 O=C(CSCc1ccncc1)c2ccccc2Cl 62a_100015193705_100000211432 [0,0,1,0,0,1|2,0,0]=4 5172 B19R2.5666 O=C(CSCc1ccncc1)c2ccccc2F 62a_100000204681_100015193705 [0,0,1,0,0,1|2,0,0]=4 5173 B19R2.5666 O=C(CSCc1ccncc1)c2ccccc2F 62a_100015193705_100000204681 [0,0,1,0,0,1|2,0,0]=4 5174 B19R2.5666 O=C(CSCc1ccncc1)c2ccccc2O 62a_100000188908_100015193705 [0,0,1,0,0,1|2,0,0]=4 5175 B19R2.5666 O=C(CSCc1ccncc1)c2ccccc2O 62a_100015193705_100000188908 [0,0,1,0,0,1|2,0,0]=4 5176 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2Br 11a_100000742849_100000188424 [0,0,1,0,0,1|2,0,0]=4 5177 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2Br 1626a_100000742849_100000188424 [0,0,1,0,0,1|2,0,0]=4 5178 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2Br 240690a_100000742849_100000188424 [0,0,1,0,0,1|2,0,0]=4 5179 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2Br 527a_100000742849_100000188424 [0,0,1,0,0,1|2,0,0]=4 5180 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2Cl 11a_100000742849_100000185844 [0,0,1,0,0,1|2,0,0]=4 5181 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2Cl 1626a_100000742849_100000185844 [0,0,1,0,0,1|2,0,0]=4 5182 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2Cl 240690a_100000742849_100000185844 [0,0,1,0,0,1|2,0,0]=4 5183 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2Cl 527a_100000742849_100000185844 [0,0,1,0,0,1|2,0,0]=4 5184 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2F 11a_100000742849_100000188656 [0,0,1,0,0,1|2,0,0]=4 5185 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2F 1626a_100000742849_100000188656 [0,0,1,0,0,1|2,0,0]=4 5186 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2F 240690a_100000742849_100000188656 [0,0,1,0,0,1|2,0,0]=4 5187 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2F 527a_100000742849_100000188656 [0,0,1,0,0,1|2,0,0]=4 5188 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2I 11a_100000742849_100000187884 [0,0,1,0,0,1|2,0,0]=4 5189 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2I 1626a_100000742849_100000187884 [0,0,1,0,0,1|2,0,0]=4 5190 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2I 240690a_100000742849_100000187884 [0,0,1,0,0,1|2,0,0]=4 5191 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2I 527a_100000742849_100000187884 [0,0,1,0,0,1|2,0,0]=4 5192 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2O 240690a_100000742849_100015234032 [0,0,1,0,0,1|2,0,0]=4 5193 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2[O-] 1626a_100000742849_100009911694 [0,0,1,0,0,1|2,0,0]=4 5194 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2[O-] 240690a_100000742849_100009911694 [0,0,1,0,0,1|2,0,0]=4 5195 B19R2.5666 O=C(NCCc1ccncc1)c2ccccc2[O-] 527a_100000742849_100009911694 [0,0,1,0,0,1|2,0,0]=4 5196 B19R3.19309 c1cc(ccn1)CCSc2csc3c2scc3 62a_100000723409_100009817191 [0,0,0,0,1,1|2,0,0]=4 5197 B21R3.3124 c1cc(c2cccnc2c1)CNCc3ccncc3 207a_100020628785_100000186114 [0,0,0,0,0,2|2,0,0]=4 5198 B21R3.3124 c1cc(c2cccnc2c1)NCCc3ccncc3 27a_100000742849_100011290932 [0,0,0,0,0,2|2,0,0]=4 5199 B21R3.3124 c1cc(c2cccnc2c1)SCCc3ccncc3 62a_100000723409_100011290932 [0,0,0,0,0,2|2,0,0]=4 5200 B21R3.3124 c1cc(c2cccnc2c1)SCCc3ccncc3 62a_100011290932_100000723409 [0,0,0,0,0,2|2,0,0]=4 5201 B21R3.3124 c1cc(c2ccncc2c1)CNCc3ccncc3 207a_100011757365_100000186114 [0,0,0,0,0,2|2,0,0]=4 5202 B21R3.3124 c1cc(c2ccncc2c1)CSCc3ccncc3 62a_100015193705_100016989825 [0,0,0,0,0,2|2,0,0]=4 5203 B21R3.3124 c1cc(c2ccncc2c1)CSCc3ccncc3 62a_100016989825_100015193705 [0,0,0,0,0,2|2,0,0]=4 5204 B21R3.3124 c1cc(c2ccncc2c1)SCCc3ccncc3 62a_100000186358_100000723409 [0,0,0,0,0,2|2,0,0]=4 5205 B21R3.3124 c1cc(c2ccncc2c1)SCCc3ccncc3 62a_100000723409_100000186358 [0,0,0,0,0,2|2,0,0]=4 5206 B21R3.3124 c1cc(c2cnccc2c1)SCCc3ccncc3 62a_100000685578_100000723409 [0,0,0,0,0,2|2,0,0]=4 5207 B21R3.3124 c1cc(c2cnccc2c1)SCCc3ccncc3 62a_100000723409_100000685578 [0,0,0,0,0,2|2,0,0]=4 5208 B21R3.3124 c1cc(ccn1)CCNc2ccnc3c2cncc3 27a_100000742849_100000095135 [0,0,0,0,0,2|1,0,1]=4 5209 B21R3.3124 c1cc(ccn1)CCNc2nccc3c2cncc3 27a_100000742849_100000116921 [0,0,0,0,0,2|2,0,0]=4 5210 B21R3.3124 c1cc(ccn1)CCNc2ncnc3c2ccnc3 27a_100000742849_100000098430 [0,0,0,0,0,2|1,0,1]=4 5211 B21R3.3124 c1cc(ccn1)CCSc2ccnc3c2cncc3 62a_100000095135_100000723409 [0,0,0,0,0,2|1,0,1]=4 5212 B21R3.3124 c1cc(ccn1)CCSc2ccnc3c2cncc3 62a_100000723409_100000095135 [0,0,0,0,0,2|1,0,1]=4 5213 B21R3.3124 c1cc(ccn1)CCSc2cncc3c2ccnc3 62a_100000723409_100010134378 [0,0,0,0,0,2|1,0,1]=4 5214 B21R3.3124 c1cc(ccn1)CCSc2cncc3c2ccnc3 62a_100010134378_100000723409 [0,0,0,0,0,2|1,0,1]=4 5215 B21R3.3124 c1cc(ccn1)CCSc2nccc3c2cncc3 62a_100000723409_100000116921 [0,0,0,0,0,2|2,0,0]=4 5216 B21R3.3124 c1cc(ccn1)CCSc2nccc3c2cncc3 62a_200010063730_100000723409 [0,0,0,0,0,2|2,0,0]=4 5217 B21R3.3124 c1cc(ccn1)CCSc2ncnc3c2ccnc3 62a_100000723409_100000098430 [0,0,0,0,0,2|1,0,1]=4 5218 B21R3.3124 c1ccc(cc1)CCNc2cccc3c2cccc3 34a_100000185869_100000765856 [0,0,0,0,0,2|2,0,0]=4 5219 B21R3.3124 c1ccc(cc1)CCNc2ccnc3c2cccc3 27a_100000106460_100011215880 [0,0,0,0,0,2|1,0,1]=4 5220 B21R3.3124 c1ccc(cc1)CCNc2cnnc3c2cccc3 27a_100000106460_100000063506 [0,0,0,0,0,2|1,0,1]=4 5221 B21R3.3124 c1ccc(cc1)CCNc2nccc3c2cccc3 27a_100000106460_100011934041 [0,0,0,0,0,2|2,0,0]=4 5222 B21R3.3124 c1ccc(cc1)CCNc2ncnc3c2cccc3 27a_100000106460_100000217608 [0,0,0,0,0,2|1,0,1]=4 5223 B21R3.3124 c1ccc(cc1)CCOc2cccc3c2cccc3 34a_100000210388_100000765856 [0,0,0,0,0,2|2,0,0]=4 5224 B21R3.3124 c1ccc(cc1)CCOc2cccc3c2cccc3 7a_100000210388_100000765856 [0,0,0,0,0,2|2,0,0]=4 5225 B21R3.3124 c1ccc(cc1)CCOc2cncc3c2cccc3 34a_100000066178_100000765856 [0,0,0,0,0,2|1,0,1]=4 5226 B21R3.3124 c1ccc(cc1)CCOc2cncc3c2cccc3 7a_100000066178_100000765856 [0,0,0,0,0,2|1,0,1]=4 5227 B21R3.3124 c1ccc(cc1)CCOc2nccc3c2cccc3 34a_102531767632_100000765856 [0,0,0,0,0,2|2,0,0]=4 5228 B21R3.3124 c1ccc(cc1)CCSc2cccc3c2cccc3 62a_100000765856_100000210605 [0,0,0,0,0,2|2,0,0]=4 5229 B21R3.3124 c1ccc(cc1)CCSc2ccnc3c2cccc3 62a_100000765856_100011215880 [0,0,0,0,0,2|1,0,1]=4 5230 B21R3.3124 c1ccc(cc1)CCSc2ccnc3c2cccc3 62a_100011458314_100011218657 [0,0,0,0,0,2|1,0,1]=4 5231 B21R3.3124 c1ccc(cc1)CCSc2cncc3c2cccc3 62a_100000187577_100011218657 [0,0,0,0,0,2|1,0,1]=4 5232 B21R3.3124 c1ccc(cc1)CCSc2cncc3c2cccc3 62a_100000765856_100000187577 [0,0,0,0,0,2|1,0,1]=4 5233 B21R3.3124 c1ccc(cc1)CCSc2cnnc3c2cccc3 62a_100000765856_100000063506 [0,0,0,0,0,2|1,0,1]=4 5234 B21R3.3124 c1ccc(cc1)CCSc2nccc3c2cccc3 62a_100000765856_100011934041 [0,0,0,0,0,2|2,0,0]=4 5235 B21R3.3124 c1ccc(cc1)CCSc2nccc3c2cccc3 62a_100011934041_100011218657 [0,0,0,0,0,2|2,0,0]=4 5236 B21R3.3124 c1ccc(cc1)CCSc2ncnc3c2cccc3 62a_100000753007_100011218657 [0,0,0,0,0,2|1,0,1]=4 5237 B21R3.3124 c1ccc(cc1)CCSc2ncnc3c2cccc3 62a_100000765856_100000217608 [0,0,0,0,0,2|1,0,1]=4 5238 B21R3.3124 c1ccc(cc1)CNCc2cccc3c2cccc3 207a_100000753325_100015611070 [0,0,0,0,0,2|2,0,0]=4 5239 B21R3.3124 c1ccc(cc1)CNCc2cccc3c2cccc3 207a_100015324214_100000210074 [0,0,0,0,0,2|2,0,0]=4 5240 B21R3.3124 c1ccc(cc1)CNCc2cccc3c2cccc3 2230a_100015324214_100011261445 [0,0,0,0,0,2|2,0,0]=4 5241 B21R3.3124 c1ccc(cc1)CNCc2cccc3c2cccc3 270004a_100000753325_100015611070 [0,0,0,0,0,2|2,0,0]=4 5242 B21R3.3124 c1ccc(cc1)CNCc2cccc3c2cccc3 270004a_100015324214_100000210074 [0,0,0,0,0,2|2,0,0]=4 5243 B21R3.3124 c1ccc(cc1)CNCc2cccc3c2cccc3 34a_100000753325_100015291786 [0,0,0,0,0,2|2,0,0]=4 5244 B21R3.3124 c1ccc(cc1)CNCc2cccc3c2cccc3 34a_100015324214_100011261445 [0,0,0,0,0,2|2,0,0]=4 5245 B21R3.3124 c1ccc(cc1)CNCc2ccnc3c2cccc3 207a_100015187208_100015611070 [0,0,0,0,0,2|1,0,1]=4 5246 B21R3.3124 c1ccc(cc1)CNCc2ccnc3c2cccc3 2230a_100015324214_100015192512 [0,0,0,0,0,2|1,0,1]=4 5247 B21R3.3124 c1ccc(cc1)CNCc2ccnc3c2cccc3 270004a_100015187208_100015611070 [0,0,0,0,0,2|1,0,1]=4 5248 B21R3.3124 c1ccc(cc1)CNCc2ccnc3c2cccc3 34a_100015324214_100015192512 [0,0,0,0,0,2|1,0,1]=4 5249 B21R3.3124 c1ccc(cc1)CNCc2cncc3c2cccc3 207a_100015324214_100000684730 [0,0,0,0,0,2|1,0,1]=4 5250 B21R3.3124 c1ccc(cc1)CNCc2cncc3c2cccc3 270004a_100015324214_100000684730 [0,0,0,0,0,2|1,0,1]=4 5251 B21R3.3124 c1ccc(cc1)CNCc2nccc3c2cccc3 207a_100015324214_100011361464 [0,0,0,0,0,2|2,0,0]=4 5252 B21R3.3124 c1ccc(cc1)CNCc2nccc3c2cccc3 2230a_100015324214_100000033776 [0,0,0,0,0,2|2,0,0]=4 5253 B21R3.3124 c1ccc(cc1)CNCc2nccc3c2cccc3 270004a_100000735229_100015611070 [0,0,0,0,0,2|2,0,0]=4 5254 B21R3.3124 c1ccc(cc1)CNCc2nccc3c2cccc3 270004a_100015324214_100011361464 [0,0,0,0,0,2|2,0,0]=4 5255 B21R3.3124 c1ccc(cc1)CNCc2nccc3c2cccc3 34a_100015324214_100000033776 [0,0,0,0,0,2|2,0,0]=4 5256 B21R3.3124 c1ccc(cc1)COCc2cccc3c2cccc3 34a_100000210790_100011261445 [0,0,0,0,0,2|2,0,0]=4 5257 B21R3.3124 c1ccc(cc1)COCc2cccc3c2cccc3 34a_100011216843_100015291786 [0,0,0,0,0,2|2,0,0]=4 5258 B21R3.3124 c1ccc(cc1)COCc2cccc3c2cccc3 7a_100000210790_100011261445 [0,0,0,0,0,2|2,0,0]=4 5259 B21R3.3124 c1ccc(cc1)COCc2cccc3c2cccc3 7a_100011216843_100000211182 [0,0,0,0,0,2|2,0,0]=4 5260 B21R3.3124 c1ccc(cc1)COCc2ccnc3c2cccc3 34a_100000210790_100015192512 [0,0,0,0,0,2|1,0,1]=4 5261 B21R3.3124 c1ccc(cc1)COCc2ccnc3c2cccc3 7a_100000210790_100015192512 [0,0,0,0,0,2|1,0,1]=4 5262 B21R3.3124 c1ccc(cc1)COCc2nccc3c2cccc3 34a_100000210790_100000033776 [0,0,0,0,0,2|2,0,0]=4 5263 B21R3.3124 c1ccc(cc1)COCc2nccc3c2cccc3 7a_100000210790_100000033776 [0,0,0,0,0,2|2,0,0]=4 5264 B21R3.3124 c1ccc(cc1)CSCc2cccc3c2cccc3 62a_100000211182_100000188474 [0,0,0,0,0,2|2,0,0]=4 5265 B21R3.3124 c1ccc(cc1)CSCc2cccc3c2cccc3 62a_100011261445_100015291786 [0,0,0,0,0,2|2,0,0]=4 5266 B21R3.3124 c1ccc(cc1)CSCc2ccnc3c2cccc3 62a_100000211182_100015192512 [0,0,0,0,0,2|1,0,1]=4 5267 B21R3.3124 c1ccc(cc1)CSCc2ccnc3c2cccc3 62a_100015192512_100015291786 [0,0,0,0,0,2|1,0,1]=4 5268 B21R3.3124 c1ccc(cc1)CSCc2nccc3c2cccc3 62a_100000033776_100015291786 [0,0,0,0,0,2|2,0,0]=4 5269 B21R3.3124 c1ccc(cc1)CSCc2nccc3c2cccc3 62a_100000211182_100000033776 [0,0,0,0,0,2|2,0,0]=4 5270 B21R3.3124 c1ccc(cc1)NCCc2cccc3c2cccc3 34a_100000106764_100011290781 [0,0,0,0,0,2|2,0,0]=4 5271 B21R3.3124 c1ccc(cc1)OCCc2cccc3c2cccc3 34a_100000210340_100011290781 [0,0,0,0,0,2|2,0,0]=4 5272 B21R3.3124 c1ccc(cc1)OCCc2cccc3c2cccc3 7a_100000210340_100011290781 [0,0,0,0,0,2|2,0,0]=4 5273 B21R3.3124 c1ccc(cc1)SCCc2cccc3c2cccc3 62a_100000719477_100011290781 [0,0,0,0,0,2|2,0,0]=4 5274 B21R3.3124 c1ccc(cc1)SCCc2cccc3c2cccc3 62a_100011290781_100000041952 [0,0,0,0,0,2|2,0,0]=4 5275 B21R3.3124 c1ccc2c(c1)NCCC2=NNCc3ccncc3 4a_100000736929_100000691674 [0,0,0,0,0,2|1,0,1]=4 5276 B21R3.3124 c1ccc2c(c1)NNCC2=NNCc3ccncc3 4a_100000736929_100020634119 [0,0,0,0,0,2|1,0,1]=4 5277 B21R3.3124 c1ccc2c(cccc2c1)CCNc3ccncn3 27a_100000751862_100000703185 [0,0,0,0,0,2|2,0,0]=4 5278 B21R3.3124 c1ccc2c(cccc2c1)CCOc3ccncc3 34a_100000212176_100011290781 [0,0,0,0,0,2|1,0,0]=3 5279 B21R3.3124 c1ccc2c(cccc2c1)CCOc3ccnnc3 34a_100015204005_100011290781 [0,0,0,0,0,2|2,0,0]=4 5280 B21R3.3124 c1ccc2c(cccc2c1)CCSc3ccncc3 62a_100000728582_100011290781 [0,0,0,0,0,2|1,0,0]=3 5281 B21R3.3124 c1ccc2c(cccc2c1)CCSc3ccncc3 62a_100011290781_100000728582 [0,0,0,0,0,2|1,0,0]=3 5282 B21R3.3124 c1ccc2c(cccc2c1)CCSc3ccncn3 62a_100000703185_100011290781 [0,0,0,0,0,2|2,0,0]=4 5283 B21R3.3124 c1ccc2c(cccc2c1)CCSc3ccncn3 62a_100011290781_100000703185 [0,0,0,0,0,2|2,0,0]=4 5284 B21R3.3124 c1ccc2c(cccc2c1)CCSc3ccnnc3 62a_100000732662_100011290781 [0,0,0,0,0,2|2,0,0]=4 5285 B21R3.3124 c1ccc2c(cccc2c1)CCSc3ccnnc3 62a_100011290781_100000732662 [0,0,0,0,0,2|2,0,0]=4 5286 B21R3.3124 c1ccc2c(cccc2c1)CNCc3ccncc3 207a_100000753325_100000186114 [0,0,0,0,0,2|1,0,0]=3 5287 B21R3.3124 c1ccc2c(cccc2c1)CNCc3ccnnc3 270004a_100000753325_100011934578 [0,0,0,0,0,2|2,0,0]=4 5288 B21R3.3124 c1ccc2c(cccc2c1)COCc3ccncc3 7a_100011216843_100015193705 [0,0,0,0,0,2|1,0,0]=3 5289 B21R3.3124 c1ccc2c(cccc2c1)CSCc3ccncc3 62a_100011261445_100015193705 [0,0,0,0,0,2|1,0,0]=3 5290 B21R3.3124 c1ccc2c(cccc2c1)CSCc3ccncc3 62a_100015193705_100000188474 [0,0,0,0,0,2|1,0,0]=3 5291 B21R3.3124 c1ccc2c(cccc2c1)OCCc3ccncc3 7a_100000210388_100000723409 [0,0,0,0,0,2|1,0,0]=3 5292 B21R3.3124 c1ccc2c(cccc2c1)SCCc3ccncc3 62a_100000723409_100000210605 [0,0,0,0,0,2|1,0,0]=3 5293 B21R3.3124 c1ccc2c(ccnc2c1)CNCc3ccncc3 207a_100015187208_100000186114 [0,0,0,0,0,2|0,0,1]=3 5294 B21R3.3124 c1ccc2c(ccnc2c1)CNCc3ccnnc3 270004a_100015187208_100011934578 [0,0,0,0,0,2|1,0,1]=4 5295 B21R3.3124 c1ccc2c(ccnc2c1)CSCc3ccncc3 62a_100015192512_100015193705 [0,0,0,0,0,2|0,0,1]=3 5296 B21R3.3124 c1ccc2c(ccnc2c1)CSCc3ccncc3 62a_100015193705_100015192512 [0,0,0,0,0,2|0,0,1]=3 5297 B21R3.3124 c1ccc2c(ccnc2c1)NCCc3ccncc3 27a_100000742849_100011215880 [0,0,0,0,0,2|0,0,1]=3 5298 B21R3.3124 c1ccc2c(ccnc2c1)SCCc3ccncc3 62a_100000723409_100011215880 [0,0,0,0,0,2|0,0,1]=3 5299 B21R3.3124 c1ccc2c(ccnc2c1)SCCc3ccncc3 62a_100011458314_100000723409 [0,0,0,0,0,2|0,0,1]=3 5300 B21R3.3124 c1ccc2c(cncc2c1)OCCc3ccncc3 7a_100000066178_100000723409 [0,0,0,0,0,2|0,0,1]=3 5301 B21R3.3124 c1ccc2c(cncc2c1)SCCc3ccncc3 62a_100000187577_100000723409 [0,0,0,0,0,2|0,0,1]=3 5302 B21R3.3124 c1ccc2c(cncc2c1)SCCc3ccncc3 62a_100000723409_100000187577 [0,0,0,0,0,2|0,0,1]=3 5303 B21R3.3124 c1ccc2c(cnnc2c1)NCCc3ccncc3 27a_100000742849_100000063506 [0,0,0,0,0,2|0,0,1]=3 5304 B21R3.3124 c1ccc2c(cnnc2c1)SCCc3ccncc3 62a_100000723409_100000063506 [0,0,0,0,0,2|0,0,1]=3 5305 B21R3.3124 c1ccc2c(nccc2c1)CNCc3ccnnc3 270004a_100000735229_100011934578 [0,0,0,0,0,2|2,0,0]=4 5306 B21R3.3124 c1ccc2c(nccc2c1)CSCc3ccncc3 62a_100000033776_100015193705 [0,0,0,0,0,2|1,0,0]=3 5307 B21R3.3124 c1ccc2c(nccc2c1)CSCc3ccncc3 62a_100015193705_100000033776 [0,0,0,0,0,2|1,0,0]=3 5308 B21R3.3124 c1ccc2c(nccc2c1)NCCc3ccncc3 27a_100000742849_100011934041 [0,0,0,0,0,2|1,0,0]=3 5309 B21R3.3124 c1ccc2c(nccc2c1)SCCc3ccncc3 62a_100000723409_100011934041 [0,0,0,0,0,2|1,0,0]=3 5310 B21R3.3124 c1ccc2c(nccc2c1)SCCc3ccncc3 62a_100011934041_100000723409 [0,0,0,0,0,2|1,0,0]=3 5311 B21R3.3124 c1ccc2c(ncnc2c1)NCCc3ccncc3 27a_100000742849_100000217608 [0,0,0,0,0,2|0,0,1]=3 5312 B21R3.3124 c1ccc2c(ncnc2c1)SCCc3ccncc3 62a_100000723409_100000217608 [0,0,0,0,0,2|0,0,1]=3 5313 B21R3.3124 c1ccc2c(ncnc2c1)SCCc3ccncc3 62a_100000753007_100000723409 [0,0,0,0,0,2|0,0,1]=3 5314 B21R3.3124 c1ccc2c(nncc2c1)SCCc3ccncc3 62a_100000723409_100025712358 [0,0,0,0,0,2|1,0,1]=4 5315 B21R3.3124 c1cnc2c(cccc2c1)CNCc3ccncc3 207a_100011195829_100000186114 [0,0,0,0,0,2|2,0,0]=4 5316 B21R3.3124 c1cnc2c(cccc2c1)CSCc3ccncc3 62a_100015193705_100000241032 [0,0,0,0,0,2|2,0,0]=4 5317 B21R3.3124 c1cnc2c(cccc2c1)SCCc3ccncc3 62a_100000723409_100011215545 [0,0,0,0,0,2|2,0,0]=4 5318 B21R3.3124 c1cnc2c(nccc2c1)NCCc3ccncc3 27a_100000742849_100010063729 [0,0,0,0,0,2|2,0,0]=4 5319 B21R3.3124 c1cnc2c(nccc2c1)SCCc3ccncc3 62a_100000723409_100010063729 [0,0,0,0,0,2|2,0,0]=4 5320 B21R3.3124 c1cnc2c(ncnc2c1)NCCc3ccncc3 27a_100000742849_100000063688 [0,0,0,0,0,2|1,0,1]=4 5321 B21R3.3124 c1cnc2c(ncnc2c1)SCCc3ccncc3 62a_100000723409_100000063688 [0,0,0,0,0,2|1,0,1]=4 5322 B21R3.3124 c1cnc2ccnc(c2c1)NCCc3ccncc3 27a_100000742849_100000077681 [0,0,0,0,0,2|2,0,0]=4 5323 B21R3.3124 c1cnc2ccnc(c2c1)SCCc3ccncc3 62a_100000723409_100000077681 [0,0,0,0,0,2|2,0,0]=4 5324 B21R3.3124 c1cnc2cncc(c2c1)NCCc3ccncc3 27a_100000742849_100010211308 [0,0,0,0,0,2|1,0,1]=4 5325 B21R3.3124 c1cnc2cncc(c2c1)SCCc3ccncc3 62a_100000723409_100010211308 [0,0,0,0,0,2|1,0,1]=4 5326 B21R3.3124 c1cnc2cncc(c2c1)SCCc3ccncc3 62a_100010211308_100000723409 [0,0,0,0,0,2|1,0,1]=4 5327 B21R3.3124 c1cnc2nccc(c2c1)NCCc3ccncc3 27a_100000742849_100000087570 [0,0,0,0,0,2|1,0,1]=4 5328 B21R3.3124 c1cnc2nccc(c2c1)SCCc3ccncc3 62a_100000087570_100000723409 [0,0,0,0,0,2|1,0,1]=4 5329 B21R3.3124 c1cnc2nccc(c2c1)SCCc3ccncc3 62a_100000723409_100000087570 [0,0,0,0,0,2|1,0,1]=4 5330 B21R3.3124 c1cnc2ncnc(c2c1)NCCc3ccncc3 27a_100000742849_100000026734 [0,0,0,0,0,2|1,0,1]=4 5331 B21R3.3124 c1cnc2ncnc(c2c1)SCCc3ccncc3 62a_100000026734_100000723409 [0,0,0,0,0,2|1,0,1]=4 5332 B21R3.3124 c1cnc2ncnc(c2c1)SCCc3ccncc3 62a_100000723409_100000026734 [0,0,0,0,0,2|1,0,1]=4 5333 B21R3.3130 C(=NNCc1ccccc1)c2c[nH]c3c2cccc3 4a_100000007032_100000182151 [0,0,0,0,0,2|1,0,1]=4 5334 B21R3.3130 C(=NNCc1ccncc1)c2c[nH]c3c2cccc3 4a_100000736929_100000182151 [0,0,0,0,0,2|0,0,1]=3 5335 B21R3.3130 C(=NNCc1ccncc1)c2c[nH]c3c2cccn3 4a_100000736929_100000187067 [0,0,0,0,0,2|1,0,1]=4 5336 B21R3.3130 C(=NNCc1ccncc1)c2c[nH]c3c2ccnc3 4a_100000736929_100000087688 [0,0,0,0,0,2|1,0,1]=4 5337 B21R3.3130 C(=NNCc1ccncc1)c2c[nH]c3c2cncc3 4a_100000736929_100011787733 [0,0,0,0,0,2|1,0,1]=4 5338 B21R3.3130 C(=NNCc1ccncc1)c2c[nH]c3c2nccc3 4a_100000736929_100000133833 [0,0,0,0,0,2|1,0,1]=4 5339 B21R3.3130 C(=NNCc1ccncc1)c2coc3c2cccc3 4a_100000736929_100000688544 [0,0,0,0,0,2|1,0,1]=4 5340 B21R3.3130 C(=NNCc1ccncc1)c2csc3c2cccc3 4a_100000736929_100000239721 [0,0,0,0,0,2|1,0,1]=4 5341 B21R3.3130 C(=NNCc1ccncc1)c2n[nH]c3c2cccc3 4a_100000736929_100000059708 [0,0,0,0,0,2|1,0,1]=4 5342 B21R3.3130 c1cc(ccn1)CCCNc2n[nH]c3c2cncc3 27a_100011275580_100009820117 [0,0,0,0,0,2|2,0,0]=4 5343 B21R3.3130 c1cc(ccn1)CCNCc2c[nH]c3c2ccnc3 270004a_100000742849_100000087688 [0,0,0,0,0,2|1,0,0]=3 5344 B21R3.3130 c1cc(ccn1)OCCNc2n[nH]c3c2cncc3 27a_100025717301_100009820117 [0,0,0,0,0,2|2,0,0]=4 5345 B21R3.3130 c1ccc(cc1)CCCOc2csc3c2cccc3 34a_100000077758_100000211621 [0,0,0,0,0,2|2,0,0]=4 5346 B21R3.3130 c1ccc(cc1)CCCOc2csc3c2cccc3 7a_100000077758_100000211621 [0,0,0,0,0,2|2,0,0]=4 5347 B21R3.3130 c1ccc(cc1)CCCSc2c[nH]c3c2cccn3 62a_100000211621_100011934613 [0,0,0,0,0,2|2,0,0]=4 5348 B21R3.3130 c1ccc(cc1)CCCSc2c[nH]c3c2ccnc3 62a_100000211621_100010232032 [0,0,0,0,0,2|2,0,0]=4 5349 B21R3.3130 c1ccc(cc1)CCCSc2c[nH]c3c2cncc3 62a_100000211621_100000753697 [0,0,0,0,0,2|2,0,0]=4 5350 B21R3.3130 c1ccc(cc1)CCCSc2c[nH]c3c2nccc3 62a_100000211621_100009817151 [0,0,0,0,0,2|2,0,0]=4 5351 B21R3.3130 c1ccc(cc1)CCCSc2coc3c2cccc3 62a_100000211621_100009812202 [0,0,0,0,0,2|2,0,0]=4 5352 B21R3.3130 c1ccc(cc1)CCCSc2csc3c2cccc3 62a_100000211621_100009813928 [0,0,0,0,0,2|2,0,0]=4 5353 B21R3.3130 c1ccc(cc1)CCCSc2n[nH]c3c2cccc3 62a_100000211621_100000050141 [0,0,0,0,0,2|2,0,0]=4 5354 B21R3.3130 c1ccc(cc1)CCNCc2c[nH]c3c2ccnc3 270004a_100000106460_100000087688 [0,0,0,0,0,2|2,0,0]=4 5355 B21R3.3130 c1ccc(cc1)CCNCc2coc3c2cccc3 207a_100000106460_100000688544 [0,0,0,0,0,2|2,0,0]=4 5356 B21R3.3130 c1ccc(cc1)CCNCc2coc3c2cccc3 270004a_100000106460_100000688544 [0,0,0,0,0,2|2,0,0]=4 5357 B21R3.3130 c1ccc(cc1)CCNCc2csc3c2cccc3 207a_100000106460_100000239721 [0,0,0,0,0,2|2,0,0]=4 5358 B21R3.3130 c1ccc(cc1)CCNCc2csc3c2cccc3 2230a_100000106460_200000742921 [0,0,0,0,0,2|2,0,0]=4 5359 B21R3.3130 c1ccc(cc1)CCNCc2csc3c2cccc3 270004a_100000106460_100000239721 [0,0,0,0,0,2|2,0,0]=4 5360 B21R3.3130 c1ccc(cc1)CCNCc2csc3c2cccc3 34a_100000106460_200000742921 [0,0,0,0,0,2|2,0,0]=4 5361 B21R3.3130 c1ccc(cc1)CCNCc2csc3c2cccc3 34a_100000744611_100000765856 [0,0,0,0,0,2|2,0,0]=4 5362 B21R3.3130 c1ccc(cc1)CCNCc2n[nH]c3c2cccc3 207a_100000106460_100000059708 [0,0,0,0,0,2|2,0,0]=4 5363 B21R3.3130 c1ccc(cc1)CCNCc2n[nH]c3c2cccc3 270004a_100000106460_100000059708 [0,0,0,0,0,2|2,0,0]=4 5364 B21R3.3130 c1ccc(cc1)CCOCc2csc3c2cccc3 34a_100000210268_200000742921 [0,0,0,0,0,2|2,0,0]=4 5365 B21R3.3130 c1ccc(cc1)CCOCc2csc3c2cccc3 34a_100011219454_100000765856 [0,0,0,0,0,2|2,0,0]=4 5366 B21R3.3130 c1ccc(cc1)CCSCc2csc3c2cccc3 62a_100000765856_200000742921 [0,0,0,0,0,2|2,0,0]=4 5367 B21R3.3130 c1ccc(cc1)CCSCc2csc3c2cccc3 62a_200000742921_100011218657 [0,0,0,0,0,2|2,0,0]=4 5368 B21R3.3130 c1ccc(cc1)CNCCc2c[nH]c3c2cccc3 207a_100000211132_100015611070 [0,0,0,0,0,2|1,0,0]=3 5369 B21R3.3130 c1ccc(cc1)CNCCc2c[nH]c3c2cccc3 2230a_100000211132_100015291786 [0,0,0,0,0,2|1,0,0]=3 5370 B21R3.3130 c1ccc(cc1)CNCCc2c[nH]c3c2cccc3 2230a_100015324214_100011218569 [0,0,0,0,0,2|1,0,0]=3 5371 B21R3.3130 c1ccc(cc1)CNCCc2c[nH]c3c2cccc3 270004a_100000211132_100015611070 [0,0,0,0,0,2|1,0,0]=3 5372 B21R3.3130 c1ccc(cc1)CNCCc2c[nH]c3c2cccc3 34a_100015324214_100011218569 [0,0,0,0,0,2|1,0,0]=3 5373 B21R3.3130 c1ccc(cc1)CNCCc2c[nH]c3c2cccn3 2230a_100015324214_100009895007 [0,0,0,0,0,2|2,0,0]=4 5374 B21R3.3130 c1ccc(cc1)CNCCc2coc3c2cccc3 207a_100011934666_100015611070 [0,0,0,0,0,2|2,0,0]=4 5375 B21R3.3130 c1ccc(cc1)CNCCc2coc3c2cccc3 2230a_100011934666_100015291786 [0,0,0,0,0,2|2,0,0]=4 5376 B21R3.3130 c1ccc(cc1)CNCCc2coc3c2cccc3 270004a_100011934666_100015611070 [0,0,0,0,0,2|2,0,0]=4 5377 B21R3.3130 c1ccc(cc1)CNCCc2coc3c2cccc3 34a_100011934666_100015291786 [0,0,0,0,0,2|2,0,0]=4 5378 B21R3.3130 c1ccc(cc1)COCCc2c[nH]c3c2cccc3 34a_100000210790_100011218569 [0,0,0,0,0,2|1,0,0]=3 5379 B21R3.3130 c1ccc(cc1)COCCc2c[nH]c3c2cccc3 34a_100000752351_100015291786 [0,0,0,0,0,2|1,0,0]=3 5380 B21R3.3130 c1ccc(cc1)COCCc2c[nH]c3c2cccc3 7a_100000210790_100011218569 [0,0,0,0,0,2|1,0,0]=3 5381 B21R3.3130 c1ccc(cc1)COCCc2c[nH]c3c2cccn3 7a_100000210790_100009895007 [0,0,0,0,0,2|2,0,0]=4 5382 B21R3.3130 c1ccc(cc1)COCOc2csc3c2cccc3 34a_100000077758_100000763385 [0,0,0,0,0,2|2,0,0]=4 5383 B21R3.3130 c1ccc(cc1)COCSc2c[nH]c3c2cccn3 62a_100000763385_100011934613 [0,0,0,0,0,2|2,0,0]=4 5384 B21R3.3130 c1ccc(cc1)COCSc2c[nH]c3c2ccnc3 62a_100000763385_100010232032 [0,0,0,0,0,2|2,0,0]=4 5385 B21R3.3130 c1ccc(cc1)COCSc2c[nH]c3c2cncc3 62a_100000763385_100000753697 [0,0,0,0,0,2|2,0,0]=4 5386 B21R3.3130 c1ccc(cc1)COCSc2c[nH]c3c2nccc3 62a_100000763385_100009817151 [0,0,0,0,0,2|2,0,0]=4 5387 B21R3.3130 c1ccc(cc1)COCSc2coc3c2cccc3 62a_100000763385_100009812202 [0,0,0,0,0,2|2,0,0]=4 5388 B21R3.3130 c1ccc(cc1)COCSc2csc3c2cccc3 62a_100000763385_100009813928 [0,0,0,0,0,2|2,0,0]=4 5389 B21R3.3130 c1ccc(cc1)COCSc2n[nH]c3c2cccc3 62a_100000763385_100000050141 [0,0,0,0,0,2|2,0,0]=4 5390 B21R3.3130 c1ccc(cc1)CSCCc2c[nH]c3c2cccc3 62a_100000211182_100011218569 [0,0,0,0,0,2|1,0,0]=3 5391 B21R3.3130 c1ccc(cc1)CSCCc2c[nH]c3c2cccn3 62a_100000211182_100009895007 [0,0,0,0,0,2|2,0,0]=4 5392 B21R3.3130 c1ccc(cc1)CSCOc2csc3c2cccc3 34a_100000077758_200011217039 [0,0,0,0,0,2|2,0,0]=4 5393 B21R3.3130 c1ccc(cc1)CSCSc2c[nH]c3c2cccn3 62a_200011217039_100011934613 [0,0,0,0,0,2|2,0,0]=4 5394 B21R3.3130 c1ccc(cc1)CSCSc2c[nH]c3c2ccnc3 62a_200011217039_100010232032 [0,0,0,0,0,2|2,0,0]=4 5395 B21R3.3130 c1ccc(cc1)CSCSc2c[nH]c3c2cncc3 62a_200011217039_100000753697 [0,0,0,0,0,2|2,0,0]=4 5396 B21R3.3130 c1ccc(cc1)CSCSc2c[nH]c3c2nccc3 62a_200011217039_100009817151 [0,0,0,0,0,2|2,0,0]=4 5397 B21R3.3130 c1ccc(cc1)CSCSc2coc3c2cccc3 62a_200011217039_100009812202 [0,0,0,0,0,2|2,0,0]=4 5398 B21R3.3130 c1ccc(cc1)CSCSc2csc3c2cccc3 62a_200011217039_100009813928 [0,0,0,0,0,2|2,0,0]=4 5399 B21R3.3130 c1ccc(cc1)CSCSc2n[nH]c3c2cccc3 62a_200011217039_100000050141 [0,0,0,0,0,2|2,0,0]=4 5400 B21R3.3130 c1ccc(cc1)OCCOc2csc3c2cccc3 34a_100000077758_100000184471 [0,0,0,0,0,2|2,0,0]=4 5401 B21R3.3130 c1ccc(cc1)OCCOc2csc3c2cccc3 7a_100000077758_100000184471 [0,0,0,0,0,2|2,0,0]=4 5402 B21R3.3130 c1ccc(cc1)OCCSc2c[nH]c3c2cccn3 62a_100000184471_100011934613 [0,0,0,0,0,2|2,0,0]=4 5403 B21R3.3130 c1ccc(cc1)OCCSc2c[nH]c3c2ccnc3 62a_100000184471_100010232032 [0,0,0,0,0,2|2,0,0]=4 5404 B21R3.3130 c1ccc(cc1)OCCSc2c[nH]c3c2cncc3 62a_100000184471_100000753697 [0,0,0,0,0,2|2,0,0]=4 5405 B21R3.3130 c1ccc(cc1)OCCSc2c[nH]c3c2nccc3 62a_100000184471_100009817151 [0,0,0,0,0,2|2,0,0]=4 5406 B21R3.3130 c1ccc(cc1)OCCSc2coc3c2cccc3 62a_100000184471_100009812202 [0,0,0,0,0,2|2,0,0]=4 5407 B21R3.3130 c1ccc(cc1)OCCSc2csc3c2cccc3 62a_100000184471_100009813928 [0,0,0,0,0,2|2,0,0]=4 5408 B21R3.3130 c1ccc(cc1)OCCSc2n[nH]c3c2cccc3 62a_100000184471_100000050141 [0,0,0,0,0,2|2,0,0]=4 5409 B21R3.3130 c1ccc(cc1)SCCOc2csc3c2cccc3 34a_100000077758_100000246102 [0,0,0,0,0,2|2,0,0]=4 5410 B21R3.3130 c1ccc(cc1)SCCOc2csc3c2cccc3 7a_100000077758_100000246102 [0,0,0,0,0,2|2,0,0]=4 5411 B21R3.3130 c1ccc(cc1)SCCSc2c[nH]c3c2cccn3 62a_100000246102_100011934613 [0,0,0,0,0,2|2,0,0]=4 5412 B21R3.3130 c1ccc(cc1)SCCSc2c[nH]c3c2ccnc3 62a_100000246102_100010232032 [0,0,0,0,0,2|2,0,0]=4 5413 B21R3.3130 c1ccc(cc1)SCCSc2c[nH]c3c2cncc3 62a_100000246102_100000753697 [0,0,0,0,0,2|2,0,0]=4 5414 B21R3.3130 c1ccc(cc1)SCCSc2c[nH]c3c2nccc3 62a_100000246102_100009817151 [0,0,0,0,0,2|2,0,0]=4 5415 B21R3.3130 c1ccc(cc1)SCCSc2coc3c2cccc3 62a_100000246102_100009812202 [0,0,0,0,0,2|2,0,0]=4 5416 B21R3.3130 c1ccc(cc1)SCCSc2csc3c2cccc3 62a_100000246102_100009813928 [0,0,0,0,0,2|2,0,0]=4 5417 B21R3.3130 c1ccc(cc1)SCCSc2n[nH]c3c2cccc3 62a_100000246102_100000050141 [0,0,0,0,0,2|2,0,0]=4 5418 B21R3.3130 c1ccc(cc1)SCSCc2csc3c2cccc3 62a_100011218342_200000742921 [0,0,0,0,0,2|2,0,0]=4 5419 B21R3.3130 c1ccc(cc1)SCSCc2csc3c2cccc3 62a_200000742921_100011218342 [0,0,0,0,0,2|2,0,0]=4 5420 B21R3.3130 c1ccc(nc1)CNCCc2c[nH]c3c2cccc3 207a_100000211132_100000209966 [0,0,0,0,0,2|2,0,0]=4 5421 B21R3.3130 c1ccc(nc1)CNCCc2c[nH]c3c2cccc3 2230a_100000211132_100000721315 [0,0,0,0,0,2|2,0,0]=4 5422 B21R3.3130 c1ccc(nc1)CNCCc2c[nH]c3c2cccc3 270004a_100000211132_100000209966 [0,0,0,0,0,2|2,0,0]=4 5423 B21R3.3130 c1ccc(nc1)COCCc2c[nH]c3c2cccc3 34a_100000752351_100000721315 [0,0,0,0,0,2|2,0,0]=4 5424 B21R3.3130 c1ccc(nc1)CSCCc2c[nH]c3c2cccc3 62a_100000721315_100011218569 [0,0,0,0,0,2|2,0,0]=4 5425 B21R3.3130 c1ccc2c(c1)ncn2CCNCc3ccncc3 207a_100000746447_100000186114 [0,0,0,0,0,2|1,0,1]=4 5426 B21R3.3130 c1ccc2c(c[nH]c2c1)CCCNc3ccncn3 27a_100102525078_100000703185 [0,0,0,0,0,2|1,0,0]=3 5427 B21R3.3130 c1ccc2c(c[nH]c2c1)CCNCc3ccncc3 207a_100000211132_100000186114 [0,0,0,0,0,2|0,0,0]=2 5428 B21R3.3130 c1ccc2c(c[nH]c2c1)CCNCc3ccncc3 2230a_100000211132_100015193705 [0,0,0,0,0,2|0,0,0]=2 5429 B21R3.3130 c1ccc2c(c[nH]c2c1)CCNCc3ccnnc3 270004a_100000211132_100011934578 [0,0,0,0,0,2|1,0,0]=3 5430 B21R3.3130 c1ccc2c(c[nH]c2c1)CCSCc3ccncc3 62a_100015193705_100011218569 [0,0,0,0,0,2|0,0,0]=2 5431 B21R3.3130 c1ccc2c(coc2c1)CCNCc3ccncc3 207a_100011934666_100000186114 [0,0,0,0,0,2|1,0,0]=3 5432 B21R3.3130 c1ccc2c(coc2c1)CCNCc3ccncc3 2230a_100011934666_100015193705 [0,0,0,0,0,2|1,0,0]=3 5433 B21R3.3130 c1ccc2c(coc2c1)CCNCc3ccnnc3 270004a_100011934666_100011934578 [0,0,0,0,0,2|2,0,0]=4 5434 B21R3.3130 c1ccc2c(coc2c1)CNCCc3ccncc3 207a_100000742849_100000688544 [0,0,0,0,0,2|1,0,0]=3 5435 B21R3.3130 c1ccc2c(coc2c1)CNCCc3ccncc3 270004a_100000742849_100000688544 [0,0,0,0,0,2|1,0,0]=3 5436 B21R3.3130 c1ccc2c(csc2c1)CNCCc3ccncc3 207a_100000742849_100000239721 [0,0,0,0,0,2|1,0,0]=3 5437 B21R3.3130 c1ccc2c(csc2c1)CNCCc3ccncc3 270004a_100000742849_100000239721 [0,0,0,0,0,2|1,0,0]=3 5438 B21R3.3130 c1ccc2c(csc2c1)COCCc3ccncc3 34a_100011216225_200000742921 [0,0,0,0,0,2|1,0,0]=3 5439 B21R3.3130 c1ccc2c(csc2c1)CSCCc3ccncc3 62a_100000723409_200000742921 [0,0,0,0,0,2|1,0,0]=3 5440 B21R3.3130 c1ccc2c(csc2c1)CSCCc3ccncc3 62a_200000742921_100000723409 [0,0,0,0,0,2|1,0,0]=3 5441 B21R3.3130 c1ccc2c(n[nH]c2c1)CNCCc3ccncc3 207a_100000742849_100000059708 [0,0,0,0,0,2|1,0,0]=3 5442 B21R3.3130 c1ccc2c(n[nH]c2c1)CNCCc3ccncc3 270004a_100000742849_100000059708 [0,0,0,0,0,2|1,0,0]=3 5443 B21R3.3130 c1ccc2c(noc2c1)COCCc3ccncc3 34a_100011216225_100009813815 [0,0,0,0,0,2|2,0,0]=4 5444 B21R3.3130 c1ccc2c(noc2c1)CSCCc3ccncc3 62a_100000723409_100009813815 [0,0,0,0,0,2|2,0,0]=4 5445 B21R3.3130 c1ccc2c(noc2c1)CSCCc3ccncc3 62a_100009813815_100000723409 [0,0,0,0,0,2|2,0,0]=4 5446 B21R3.3130 c1ccn2c(cnc2c1)CNCCc3ccncc3 207a_100000742849_100000052358 [0,0,0,0,0,2|1,0,1]=4 5447 B21R3.3130 c1ccn2c(cnc2c1)CNCCc3ccncc3 2230a_100015187830_100000723409 [0,0,0,0,0,2|1,0,1]=4 5448 B21R3.3130 c1ccn2c(cnc2c1)CNCCc3ccncc3 270004a_100000742849_100000052358 [0,0,0,0,0,2|1,0,1]=4 5449 B21R3.3130 c1ccn2ncc(c2c1)CNCCc3ccncc3 207a_100000742849_100011787723 [0,0,0,0,0,2|1,0,1]=4 5450 B21R3.3130 c1ccn2ncc(c2c1)CNCCc3ccncc3 270004a_100000742849_100011787723 [0,0,0,0,0,2|1,0,1]=4 5451 B21R3.3130 c1cnc2[nH]cc(c2c1)CCSCc3ccncc3 62a_100015193705_100009895007 [0,0,0,0,0,2|1,0,0]=3 5452 B21R3.3130 c1cnc2[nH]nc(c2c1)NCCCc3ccncc3 27a_100011275580_100009818534 [0,0,0,0,0,2|2,0,0]=4 5453 B21R3.3130 c1cnc2[nH]nc(c2c1)NCCOc3ccncc3 27a_100025717301_100009818534 [0,0,0,0,0,2|2,0,0]=4 5454 B21R3.3130 c1cnc2c(n[nH]c2c1)NCCCc3ccncc3 27a_100011275580_100009817118 [0,0,0,0,0,2|2,0,0]=4 5455 B21R3.3130 c1cnc2c(n[nH]c2c1)NCCOc3ccncc3 27a_100025717301_100009817118 [0,0,0,0,0,2|2,0,0]=4 5456 B21R3.3130 c1cncc(c1)CNCCc2c[nH]c3c2cccc3 207a_100000211132_100000209961 [0,0,0,0,0,2|2,0,0]=4 5457 B21R3.3130 c1cncc(c1)CNCCc2c[nH]c3c2cccc3 2230a_100000211132_100000741622 [0,0,0,0,0,2|2,0,0]=4 5458 B21R3.3130 c1cncc(c1)CNCCc2c[nH]c3c2cccc3 270004a_100000211132_100000209961 [0,0,0,0,0,2|2,0,0]=4 5459 B21R3.3130 c1cncc(c1)COCCc2c[nH]c3c2cccc3 34a_100000752351_100000733263 [0,0,0,0,0,2|2,0,0]=4 5460 B21R3.3130 c1cncc(c1)CSCCc2c[nH]c3c2cccc3 62a_100000741622_100011218569 [0,0,0,0,0,2|2,0,0]=4 5461 B21R3.47750 c1cc(ccn1)CCNc2ccc3ccncc3n2 27a_100000742849_100000020162 [0,0,0,0,0,2|2,0,0]=4 5462 B21R3.47750 c1cc(ccn1)CCOc2ccc3ccncc3c2 7a_100000752006_100000723409 [0,0,0,0,0,2|2,0,0]=4 5463 B21R3.47750 c1cc(ccn1)CCOc2ccc3cnccc3c2 7a_100000046372_100000723409 [0,0,0,0,0,2|2,0,0]=4 5464 B21R3.47750 c1cc(ccn1)CCSc2ccc3ccncc3c2 62a_100000686496_100000723409 [0,0,0,0,0,2|2,0,0]=4 5465 B21R3.47750 c1cc(ccn1)CCSc2ccc3ccncc3c2 62a_100000723409_100000686496 [0,0,0,0,0,2|2,0,0]=4 5466 B21R3.47750 c1cc(ccn1)CCSc2ccc3ccncc3n2 62a_100000723409_100000020162 [0,0,0,0,0,2|2,0,0]=4 5467 B21R3.47750 c1cc(ccn1)CCSc2ccc3cnccc3c2 62a_100000723409_100009816743 [0,0,0,0,0,2|2,0,0]=4 5468 B21R3.47750 c1cc(ccn1)CCSc2ccc3cnccc3c2 62a_100009816743_100000723409 [0,0,0,0,0,2|2,0,0]=4 5469 B21R3.47750 c1cc(ccn1)CSCc2ccc3cnccc3c2 62a_100015193705_100020605334 [0,0,0,0,0,2|2,0,0]=4 5470 B21R3.47750 c1cc(ccn1)CSCc2ccc3cnccc3c2 62a_100020605334_100015193705 [0,0,0,0,0,2|2,0,0]=4 5471 B21R3.47750 c1ccc(cc1)CCNc2ccc3ccccc3c2 34a_100000211940_100000765856 [0,0,0,0,0,2|2,0,0]=4 5472 B21R3.47750 c1ccc(cc1)CCNc2ccc3ccccc3c2 7a_100000211940_100000765856 [0,0,0,0,0,2|2,0,0]=4 5473 B21R3.47750 c1ccc(cc1)CCNc2ccc3ccccc3n2 27a_100000106460_100011291633 [0,0,0,0,0,2|2,0,0]=4 5474 B21R3.47750 c1ccc(cc1)CCNc2cnc3ccccc3n2 27a_100000106460_100000756483 [0,0,0,0,0,2|1,0,1]=4 5475 B21R3.47750 c1ccc(cc1)CCOc2ccc3ccccc3c2 34a_100000185828_100000765856 [0,0,0,0,0,2|2,0,0]=4 5476 B21R3.47750 c1ccc(cc1)CCOc2ccc3ccccc3c2 7a_100000185828_100000765856 [0,0,0,0,0,2|2,0,0]=4 5477 B21R3.47750 c1ccc(cc1)CCOc2cnc3ccccc3c2 34a_100011934006_100000765856 [0,0,0,0,0,2|1,0,1]=4 5478 B21R3.47750 c1ccc(cc1)CCOc2cnc3ccccc3c2 7a_100011934006_100000765856 [0,0,0,0,0,2|1,0,1]=4 5479 B21R3.47750 c1ccc(cc1)CCSc2ccc3ccccc3c2 62a_100000765856_100000233703 [0,0,0,0,0,2|2,0,0]=4 5480 B21R3.47750 c1ccc(cc1)CCSc2ccc3ccccc3n2 62a_100000765856_100011291633 [0,0,0,0,0,2|2,0,0]=4 5481 B21R3.47750 c1ccc(cc1)CCSc2ccc3ccccc3n2 62a_100011291633_100011218657 [0,0,0,0,0,2|2,0,0]=4 5482 B21R3.47750 c1ccc(cc1)CCSc2cnc3ccccc3c2 62a_100000765856_100000737414 [0,0,0,0,0,2|1,0,1]=4 5483 B21R3.47750 c1ccc(cc1)CCSc2cnc3ccccc3n2 62a_100000756483_100011218657 [0,0,0,0,0,2|1,0,1]=4 5484 B21R3.47750 c1ccc(cc1)CCSc2cnc3ccccc3n2 62a_100000765856_100000756483 [0,0,0,0,0,2|1,0,1]=4 5485 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3c2 207a_100000739491_100015611070 [0,0,0,0,0,2|2,0,0]=4 5486 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3c2 207a_100015324214_100000211584 [0,0,0,0,0,2|2,0,0]=4 5487 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3c2 2230a_100000739491_100015291786 [0,0,0,0,0,2|2,0,0]=4 5488 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3c2 2230a_100015324214_100011216711 [0,0,0,0,0,2|2,0,0]=4 5489 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3c2 270004a_100000739491_100015611070 [0,0,0,0,0,2|2,0,0]=4 5490 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3c2 270004a_100015324214_100000211584 [0,0,0,0,0,2|2,0,0]=4 5491 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3c2 34a_100000739491_100015291786 [0,0,0,0,0,2|2,0,0]=4 5492 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3c2 34a_100015324214_100011216711 [0,0,0,0,0,2|2,0,0]=4 5493 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3n2 207a_100015324214_100000759686 [0,0,0,0,0,2|2,0,0]=4 5494 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3n2 2230a_100015324214_100000737579 [0,0,0,0,0,2|2,0,0]=4 5495 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3n2 270004a_100015324214_100000759686 [0,0,0,0,0,2|2,0,0]=4 5496 B21R3.47750 c1ccc(cc1)CNCc2ccc3ccccc3n2 34a_100015324214_100000737579 [0,0,0,0,0,2|2,0,0]=4 5497 B21R3.47750 c1ccc(cc1)CNCc2cnc3ccccc3c2 207a_100000742225_100015611070 [0,0,0,0,0,2|1,0,1]=4 5498 B21R3.47750 c1ccc(cc1)CNCc2cnc3ccccc3c2 207a_100015324214_100000750898 [0,0,0,0,0,2|1,0,1]=4 5499 B21R3.47750 c1ccc(cc1)CNCc2cnc3ccccc3c2 270004a_100000742225_100015611070 [0,0,0,0,0,2|1,0,1]=4 5500 B21R3.47750 c1ccc(cc1)CNCc2cnc3ccccc3c2 270004a_100015324214_100000750898 [0,0,0,0,0,2|1,0,1]=4 5501 B21R3.47750 c1ccc(cc1)CNCc2cnc3ccccc3c2 34a_100000742225_100015291786 [0,0,0,0,0,2|1,0,1]=4 5502 B21R3.47750 c1ccc(cc1)CNCc2cnc3ccccc3n2 270004a_100015324214_100000204677 [0,0,0,0,0,2|1,0,1]=4 5503 B21R3.47750 c1ccc(cc1)COCc2ccc3ccccc3c2 34a_100000210790_100011216711 [0,0,0,0,0,2|2,0,0]=4 5504 B21R3.47750 c1ccc(cc1)COCc2ccc3ccccc3c2 34a_100011215330_100015291786 [0,0,0,0,0,2|2,0,0]=4 5505 B21R3.47750 c1ccc(cc1)COCc2ccc3ccccc3c2 7a_100000210790_100011216711 [0,0,0,0,0,2|2,0,0]=4 5506 B21R3.47750 c1ccc(cc1)COCc2ccc3ccccc3c2 7a_100011215330_100000211182 [0,0,0,0,0,2|2,0,0]=4 5507 B21R3.47750 c1ccc(cc1)COCc2ccc3ccccc3n2 34a_100000210790_100000737579 [0,0,0,0,0,2|2,0,0]=4 5508 B21R3.47750 c1ccc(cc1)COCc2ccc3ccccc3n2 7a_100000210790_100000737579 [0,0,0,0,0,2|2,0,0]=4 5509 B21R3.47750 c1ccc(cc1)COCc2cnc3ccccc3c2 34a_100011258773_100015291786 [0,0,0,0,0,2|1,0,1]=4 5510 B21R3.47750 c1ccc(cc1)COCc2cnc3ccccc3n2 7a_100000210790_200000751123 [0,0,0,0,0,2|1,0,1]=4 5511 B21R3.47750 c1ccc(cc1)CSCc2ccc3ccccc3c2 62a_100000211182_100011216711 [0,0,0,0,0,2|2,0,0]=4 5512 B21R3.47750 c1ccc(cc1)CSCc2ccc3ccccc3c2 62a_100011216711_100015291786 [0,0,0,0,0,2|2,0,0]=4 5513 B21R3.47750 c1ccc(cc1)CSCc2ccc3ccccc3n2 62a_100000211182_100000737579 [0,0,0,0,0,2|2,0,0]=4 5514 B21R3.47750 c1ccc(cc1)CSCc2ccc3ccccc3n2 62a_100000737579_100015291786 [0,0,0,0,0,2|2,0,0]=4 5515 B21R3.47750 c1ccc(cc1)CSCc2cnc3ccccc3n2 62a_100000211182_200000751123 [0,0,0,0,0,2|1,0,1]=4 5516 B21R3.47750 c1ccc(cc1)CSCc2cnc3ccccc3n2 62a_200000751123_100015291786 [0,0,0,0,0,2|1,0,1]=4 5517 B21R3.47750 c1ccc2cc(ccc2c1)CCNc3ccncn3 27a_100000746582_100000703185 [0,0,0,0,0,2|2,0,0]=4 5518 B21R3.47750 c1ccc2cc(ccc2c1)CNCc3ccncc3 207a_100000739491_100000186114 [0,0,0,0,0,2|1,0,0]=3 5519 B21R3.47750 c1ccc2cc(ccc2c1)CNCc3ccncc3 2230a_100000739491_100015193705 [0,0,0,0,0,2|1,0,0]=3 5520 B21R3.47750 c1ccc2cc(ccc2c1)CNCc3ccnnc3 270004a_100000739491_100011934578 [0,0,0,0,0,2|2,0,0]=4 5521 B21R3.47750 c1ccc2cc(ccc2c1)COCc3ccncc3 7a_100011215330_100015193705 [0,0,0,0,0,2|1,0,0]=3 5522 B21R3.47750 c1ccc2cc(ccc2c1)CSCc3ccncc3 62a_100011216711_100015193705 [0,0,0,0,0,2|1,0,0]=3 5523 B21R3.47750 c1ccc2cc(ccc2c1)CSCc3ccncc3 62a_100015193705_100011216711 [0,0,0,0,0,2|1,0,0]=3 5524 B21R3.47750 c1ccc2cc(ccc2c1)NCCc3ccncc3 7a_100000211940_100000723409 [0,0,0,0,0,2|1,0,0]=3 5525 B21R3.47750 c1ccc2cc(ccc2c1)OCCc3ccncc3 7a_100000185828_100000723409 [0,0,0,0,0,2|1,0,0]=3 5526 B21R3.47750 c1ccc2cc(ccc2c1)SCCc3ccncc3 62a_100000723409_100000233703 [0,0,0,0,0,2|1,0,0]=3 5527 B21R3.47750 c1ccc2cc(ncc2c1)CSCc3ccncc3 62a_100009869231_100015193705 [0,0,0,0,0,2|2,0,0]=4 5528 B21R3.47750 c1ccc2cc(ncc2c1)CSCc3ccncc3 62a_100015193705_100009869231 [0,0,0,0,0,2|2,0,0]=4 5529 B21R3.47750 c1ccc2cc(ncc2c1)SCCc3ccncc3 62a_100000723409_100000047361 [0,0,0,0,0,2|2,0,0]=4 5530 B21R3.47750 c1ccc2cc(ncc2c1)SCCc3ccncc3 62a_100009816522_100000723409 [0,0,0,0,0,2|2,0,0]=4 5531 B21R3.47750 c1ccc2nc(ccc2c1)CCNc3ccncn3 27a_100011238595_100000703185 [0,0,0,0,0,2|2,0,0]=4 5532 B21R3.47750 c1ccc2nc(ccc2c1)CSCc3ccncc3 62a_100000737579_100015193705 [0,0,0,0,0,2|1,0,0]=3 5533 B21R3.47750 c1ccc2nc(ccc2c1)CSCc3ccncc3 62a_100015193705_100000737579 [0,0,0,0,0,2|1,0,0]=3 5534 B21R3.47750 c1ccc2nc(ccc2c1)NCCc3ccncc3 27a_100000742849_100011291633 [0,0,0,0,0,2|1,0,0]=3 5535 B21R3.47750 c1ccc2nc(ccc2c1)SCCc3ccncc3 62a_100000723409_100011291633 [0,0,0,0,0,2|1,0,0]=3 5536 B21R3.47750 c1ccc2nc(ccc2c1)SCCc3ccncc3 62a_100011291633_100000723409 [0,0,0,0,0,2|1,0,0]=3 5537 B21R3.47750 c1ccc2nc(cnc2c1)CSCc3ccncc3 62a_100015193705_200000751123 [0,0,0,0,0,2|0,0,1]=3 5538 B21R3.47750 c1ccc2nc(cnc2c1)CSCc3ccncc3 62a_200000751123_100015193705 [0,0,0,0,0,2|0,0,1]=3 5539 B21R3.47750 c1ccc2nc(cnc2c1)NCCc3ccncc3 27a_100000742849_100000756483 [0,0,0,0,0,2|0,0,1]=3 5540 B21R3.47750 c1ccc2nc(cnc2c1)SCCc3ccncc3 62a_100000723409_100000756483 [0,0,0,0,0,2|0,0,1]=3 5541 B21R3.47750 c1ccc2nc(cnc2c1)SCCc3ccncc3 62a_100000756483_100000723409 [0,0,0,0,0,2|0,0,1]=3 5542 B21R3.47750 c1ccc2nc(ncc2c1)CSCc3ccncc3 62a_100009868571_100015193705 [0,0,0,0,0,2|2,0,0]=4 5543 B21R3.47750 c1ccc2nc(ncc2c1)CSCc3ccncc3 62a_100015193705_100009868571 [0,0,0,0,0,2|2,0,0]=4 5544 B21R3.47750 c1ccc2nc(ncc2c1)NCCc3ccncc3 27a_100000742849_100000097389 [0,0,0,0,0,2|2,0,0]=4 5545 B21R3.47750 c1ccc2nc(ncc2c1)SCCc3ccncc3 62a_100000723409_100000097389 [0,0,0,0,0,2|2,0,0]=4 5546 B21R3.47750 c1ccc2ncc(cc2c1)CNCc3ccncc3 207a_100000742225_100000186114 [0,0,0,0,0,2|0,0,1]=3 5547 B21R3.47750 c1ccc2ncc(cc2c1)CNCc3ccnnc3 270004a_100000742225_100011934578 [0,0,0,0,0,2|1,0,1]=4 5548 B21R3.47750 c1ccc2ncc(cc2c1)OCCc3ccncc3 7a_100011934006_100000723409 [0,0,0,0,0,2|0,0,1]=3 5549 B21R3.47750 c1ccc2ncc(cc2c1)SCCc3ccncc3 62a_100000723409_100000737414 [0,0,0,0,0,2|0,0,1]=3 5550 B21R3.47750 c1cnc2cc(ccc2c1)SCCc3ccncc3 62a_100000723409_100009816655 [0,0,0,0,0,2|2,0,0]=4 5551 B21R3.47750 c1cnc2cc(cnc2c1)SCCc3ccncc3 62a_100000723409_100010246316 [0,0,0,0,0,2|1,0,1]=4 5552 B21R3.47750 c1cnc2cc(cnc2c1)SCCc3ccncc3 62a_100010246316_100000723409 [0,0,0,0,0,2|1,0,1]=4 5553 B21R3.47750 c1cnc2ccc(cc2c1)CNCc3ccncc3 207a_100000238500_100000186114 [0,0,0,0,0,2|2,0,0]=4 5554 B21R3.47750 c1cnc2ccc(cc2c1)CSCc3ccncc3 62a_100000703657_100015193705 [0,0,0,0,0,2|2,0,0]=4 5555 B21R3.47750 c1cnc2ccc(cc2c1)CSCc3ccncc3 62a_100015193705_100000703657 [0,0,0,0,0,2|2,0,0]=4 5556 B21R3.47750 c1cnc2ccc(cc2c1)OCCc3ccncc3 7a_100011215586_100000723409 [0,0,0,0,0,2|2,0,0]=4 5557 B21R3.47750 c1cnc2ccc(cc2c1)SCCc3ccncc3 62a_100000723409_100011215947 [0,0,0,0,0,2|2,0,0]=4 5558 B21R3.47750 c1cnc2ccc(cc2c1)SCCc3ccncc3 62a_100011215947_100000723409 [0,0,0,0,0,2|2,0,0]=4 5559 B21R3.47750 c1cnc2ccc(nc2c1)NCCc3ccncc3 27a_100000742849_100000073381 [0,0,0,0,0,2|2,0,0]=4 5560 B21R3.47750 c1cnc2ccc(nc2c1)SCCc3ccncc3 62a_100000723409_100000073381 [0,0,0,0,0,2|2,0,0]=4 5561 B21R3.47750 c1cnc2nc(ccc2c1)NCCc3ccncc3 27a_100000742849_100000075685 [0,0,0,0,0,2|2,0,0]=4 5562 B21R3.47750 c1cnc2nc(ccc2c1)SCCc3ccncc3 62a_100000075685_100000723409 [0,0,0,0,0,2|2,0,0]=4 5563 B21R3.47750 c1cnc2nc(ccc2c1)SCCc3ccncc3 62a_100000723409_100000075685 [0,0,0,0,0,2|2,0,0]=4 5564 B21R3.47750 c1cnc2nc(cnc2c1)NCCc3ccncc3 27a_100000742849_200010275043 [0,0,0,0,0,2|1,0,1]=4 5565 B21R3.47750 c1cnc2nc(cnc2c1)SCCc3ccncc3 62a_100000723409_200010275043 [0,0,0,0,0,2|1,0,1]=4 5566 B21R3.47750 c1cnc2nc(cnc2c1)SCCc3ccncc3 62a_200010275043_100000723409 [0,0,0,0,0,2|1,0,1]=4 5567 B21R3.47750 c1cnc2ncc(nc2c1)NCCc3ccncc3 27a_100000742849_100000084304 [0,0,0,0,0,2|1,0,1]=4 5568 B21R3.47750 c1cnc2ncc(nc2c1)SCCc3ccncc3 62a_100000084304_100000723409 [0,0,0,0,0,2|1,0,1]=4 5569 B21R3.47750 c1cnc2ncc(nc2c1)SCCc3ccncc3 62a_100000723409_100000084304 [0,0,0,0,0,2|1,0,1]=4