0 B8R1.8 N#CCC1=CC=CS1 1287095 [0,0,0,0,0,0|2,1,0]=3 1 B8R1.8 NCCC1=CN=CN1 2816948 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.8 NCCC1=CN=CN1 5662517 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.8 NCCC1=CNC=N1 3354315 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.8 NCCC1=CNC=N1 4434673 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.8 NCCC1=CSC=N1 7020691339 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.8 NCCC1=NC=CS1 1059793 [0,0,0,0,0,0|3,1,0]=4 7 B8R1.8 NCCC1=NC=CS1 3851317 [0,0,0,0,0,0|3,1,0]=4 8 B8R1.8 NCCN1C=CC=C1 1048773 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.8 NCCN1C=CC=C1 8916334 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.8 NCCN1C=CC=N1 7138650 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.8 O=C=NC1=CC=CS1 2214454 [0,0,0,0,0,0|3,1,0]=4 12 B8R1.8 OCCC1=CC=CS1 22430596 [0,0,0,0,0,0|2,1,0]=3 13 B7R1.1 CCC1=CC=CS1 2825840 [1,0,0,0,0,0|0,1,0]=2 14 B7R1.1 CCC1=NC=CN1 2816718 [1,0,0,0,0,0|2,0,0]=3 15 B7R1.1 CCN1C=CN=C1 1217863 [1,0,0,0,0,0|3,0,0]=4 16 B7R1.1 CCN1C=CN=N1 6851998 [1,0,0,0,0,0|3,0,0]=4 17 B7R1.1 CCN1C=NC=N1 6923396 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.1 N#CC1=CC=CO1 2825449 [1,0,0,0,0,0|1,0,1]=3 19 B7R1.1 NCC1=CC=CN1 7020542628 [1,0,0,0,0,0|2,0,0]=3 20 B7R1.1 NCC1=CC=CO1 1038603 [1,0,0,0,0,0|1,0,0]=2 21 B7R1.1 NCC1=CC=CS1 1038604 [1,0,0,0,0,0|1,1,0]=3 22 B7R1.1 NCC1=NC=CS1 1044145 [1,0,0,0,0,0|2,1,0]=4 23 B7R1.1 O=CC1=CC=CN1 7020420392 [1,0,0,0,0,0|1,1,1]=4 24 B7R1.1 O=CC1=CC=CO1 988493 [1,0,0,0,0,0|0,1,1]=3 25 B7R1.1 O=CC1=CC=CS1 2048717 [1,0,0,0,0,0|0,2,1]=4 26 B7R1.1 OCC1=CC=CO1 2084339 [1,0,0,0,0,0|0,1,0]=2 27 B7R1.1 OCC1=CC=NO1 2128179 [1,0,0,0,0,0|1,1,0]=3 28 B7R1.1 OCC1=COC=C1 2816728 [1,0,0,0,0,0|2,1,0]=4 29 B7R1.1 OCC1=NNC=C1 2652239 [1,0,0,0,0,0|2,1,0]=4 30 B9R1.7 CC1=CN=C(CCN)O1 1036144 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.7 CCCC1=NOC(N)=C1 1218519 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.7 NCCC1=CC(Cl)=CS1 11639058 [0,1,0,0,0,0|2,1,0]=4 33 B9R1.11 CCC(=O)C1=CC=CS1 1043815 [0,1,0,0,0,0|1,1,1]=4 34 B9R1.11 COC(=O)C1=CC=CN1 6300636 [0,1,0,0,0,0|1,1,1]=4 35 B9R1.11 COC(=O)C1=CC=CO1 2826302 [0,1,0,0,0,0|0,1,1]=3 36 B9R1.11 COC(=O)C1=CC=NO1 6902354 [0,1,0,0,0,0|1,1,1]=4 37 B9R1.11 NCC(O)C1=CC=CS1 1055858 [0,1,0,0,0,0|2,1,0]=4 38 B9R1.11 NNC(=O)C1=CC=CO1 7113240459 [0,1,0,0,0,0|2,0,1]=4 39 B9R1.11 O=C(CO)C1=CC=CO1 2826306 [0,1,0,0,0,0|2,0,1]=4 40 B9R1.12 CNCCC1=CN=CN1 4667144 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.12 CNCCC1=CNC=N1 4667147 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.12 N#CCCC1=CC=CS1 1655095 [0,1,0,0,0,0|1,1,1]=4 43 B9R1.12 O=C\C=C\C1=CC=CO1 1901715 [0,1,0,0,0,0|1,0,2]=4 44 B9R1.13 NC(=O)CC1=CC=CS1 1375218 [0,1,0,0,0,0|2,1,0]=4 45 B9R1.13 O=C(Cl)CC1=CC=CS1 1051727 [0,1,0,0,0,0|2,1,0]=4 46 B9R1.13 O=C(O)CC1=CC=CO1 1287105 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.13 O=C(O)CC1=CC=CS1 1287112 [0,1,0,0,0,0|2,1,0]=4 48 B7R0.7 CCOC(=O)CSC 2827017 [0,0,1,0,0,0|1,0,2]=4 49 B9R1.8 BrCCC1=CC=CC=C1 2889217 [0,0,0,0,0,1|3,0,0]=4 50 B9R1.8 CCCC1=CC=CC=C1 2826136 [0,0,0,0,0,1|2,0,0]=3 51 B9R1.8 CCNC1=CC=CC=C1 1220427 [0,0,0,0,0,1|3,0,0]=4 52 B9R1.8 CCOC1=CC=CC=C1 2826174 [0,0,0,0,0,1|3,0,0]=4 53 B9R1.8 CNCC1=CC=CC=C1 1268163 [0,0,0,0,0,1|2,0,0]=3 54 B9R1.8 ClCCC1=CC=CC=C1 2827551 [0,0,0,0,0,1|3,0,0]=4 55 B9R1.8 N#CCC1=CC=CC=C1 1519434 [0,0,0,0,0,1|3,0,0]=4 56 B9R1.8 N#CCC1=NC=CC=C1 1287098 [0,0,0,0,0,1|3,0,0]=4 57 B9R1.8 NCCC1=CC=CC=C1 1038619 [0,0,0,0,0,1|3,0,0]=4 58 B9R1.8 NNCC1=CC=CC=C1 1972969 [0,0,0,0,0,1|3,0,0]=4 59 B9R1.8 O=CCC1=CC=CC=C1 1204419 [0,0,0,0,0,1|3,0,0]=4 60 B9R1.8 OCCC1=CC=CC=C1 1204382 [0,0,0,0,0,1|3,0,0]=4 61 B9R1.8 OCCC1=CC=CC=N1 1204379 [0,0,0,0,0,1|3,0,0]=4 62 B9R1.8 [C]=NCC1=CC=CC=C1 5679156 [0,0,0,0,0,1|2,0,1]=4 63 B6R1.2 BrC1=CC=CS1 1362078 [2,0,0,0,0,0|1,1,0]=4 64 B6R1.2 CC1=CC=CO1 2825319 [2,0,0,0,0,0|0,0,0]=2 65 B6R1.2 CC1=CC=CS1 2825522 [2,0,0,0,0,0|0,1,0]=3 66 B6R1.2 CC1=CC=NN1 5009700 [2,0,0,0,0,0|2,0,0]=4 67 B6R1.2 CC1=CN=CN1 22430348 [2,0,0,0,0,0|2,0,0]=4 68 B6R1.2 CC1=CSC=C1 2816743 [2,0,0,0,0,0|2,0,0]=4 69 B6R1.2 CC1=CSC=N1 1287022 [2,0,0,0,0,0|2,0,0]=4 70 B6R1.2 CC1=NC=CN1 2825323 [2,0,0,0,0,0|2,0,0]=4 71 B6R1.2 CC1=NNC=C1 2816612 [2,0,0,0,0,0|2,0,0]=4 72 B6R1.2 CN1C=CC=C1 2825317 [2,0,0,0,0,0|2,0,0]=4 73 B6R1.2 ClC1=CC=CS1 2826105 [2,0,0,0,0,0|1,1,0]=4 74 B6R1.2 SC1=NC=CN1 4061582 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.1 CC1=CC=C(CS)O1 5810409 [1,1,0,0,0,0|0,0,0]=2 76 B8R1.1 CCC1=CN=C(N)S1 2223233 [1,1,0,0,0,0|1,1,0]=4 77 B8R1.1 CCC1=CN=C(S)N1 7010463 [1,1,0,0,0,0|2,0,0]=4 78 B8R1.1 CCC1=CSC(N)=N1 2220844 [1,1,0,0,0,0|2,0,0]=4 79 B8R1.1 CSC1=NN=C(C)O1 8596662 [1,1,0,0,0,0|2,0,0]=4 80 B8R1.1 NCC1=CC(Cl)=CS1 11639171 [1,1,0,0,0,0|1,1,0]=4 81 B8R1.1 O=CC1=CC=C(Cl)O1 1218908 [1,1,0,0,0,0|0,1,1]=4 82 B8R1.1 O=CC1=CC=C(I)O1 7110951013 [1,1,0,0,0,0|0,1,1]=4 83 B8R1.1 OCC1=CC(Cl)=CS1 11165208 [1,1,0,0,0,0|0,2,0]=4 84 B8R1.7 CC(=O)C1=CC=CO1 1778595 [1,1,0,0,0,0|0,0,1]=3 85 B8R1.7 CC(=O)C1=CC=CS1 14605036 [1,1,0,0,0,0|0,1,1]=4 86 B8R1.7 CC(O)C1=CC=CS1 1366588 [1,1,0,0,0,0|0,1,0]=3 87 B8R1.7 C[C@H](N)C1=NC=CS1 2630925 [1,1,0,0,0,0|1,1,0]=4 88 B8R1.7 O=C(Cl)C1=CC=CO1 1051704 [1,1,0,0,0,0|0,1,1]=4 89 B8R1.7 O=C(O)C1=CC=CO1 2825796 [1,1,0,0,0,0|0,1,1]=4 90 B10R1.1 CCCC1=CC=C(O)C=C1 2818223 [0,1,0,0,0,1|2,0,0]=4 91 B10R1.10 CNCC1=CC(O)=CC=C1 1268164 [0,1,0,0,0,1|2,0,0]=4 92 B10R1.10 CNCC1=CC=CC(O)=C1 3644490 [0,1,0,0,0,1|2,0,0]=4 93 B10R1.10 CSCC1=CC(O)=CC=C1 7575917 [0,1,0,0,0,1|1,0,0]=3 94 B10R1.15 CCC(C)C1=CC=CC=C1 2827022 [0,1,0,0,0,1|2,0,0]=4 95 B10R1.15 CCC(N)C1=CC=CC=C1 1146635 [0,1,0,0,0,1|2,0,0]=4 96 B10R1.15 CSC(=N)C1=CC=CC=C1 22430530 [0,1,0,0,0,1|1,0,1]=4 97 B10R1.17 BrCCCC1=CC=CC=C1 1275152 [0,1,0,0,0,1|2,0,0]=4 98 B10R1.17 CCCCC1=CC=CC=C1 2827024 [0,1,0,0,0,1|2,0,0]=4 99 B10R1.17 CCNCC1=CC=CC=C1 1366645 [0,1,0,0,0,1|2,0,0]=4 100 B10R1.17 CNCCC1=CC=NC=C1 7020420399 [0,1,0,0,0,1|2,0,0]=4 101 B10R1.17 CNCCC1=NC=CC=C1 4347309 [0,1,0,0,0,1|2,0,0]=4 102 B10R1.17 NCCCC1=CC=CN=C1 1038705 [0,1,0,0,0,1|2,0,0]=4 103 B10R1.18 CN(C)CC1=CC=CC=C1 2827061 [0,1,0,0,0,1|2,0,0]=4 104 B10R1.14 COC(=O)C1=CC=C(Br)O1 7214930010 [0,2,0,0,0,0|0,1,1]=4 105 B10R1.16 CC1=CN=C(CCCN)O1 1036165 [0,2,0,0,0,0|2,0,0]=4 106 B10R1.54 CC1=CC=C(CC(=O)O)O1 2251842 [0,2,0,0,0,0|2,0,0]=4 107 B10R1.54 CC1=CC=C(CN(C)C)O1 5012627 [0,2,0,0,0,0|1,0,0]=3 108 B10R1.6 CC(C)(CN)C1=CC=CO1 1287136 [0,2,0,0,0,0|2,0,0]=4 109 B10R1.11 CNCC(O)C1=CC=CS1 1055886 [0,2,0,0,0,0|1,1,0]=4 110 B10R1.21 C=CCNCC1=CC=CO1 1366671 [0,2,0,0,0,0|1,0,0]=3 111 B10R1.21 CCCCCC1=CC=CS1 11639053 [0,2,0,0,0,0|1,1,0]=4 112 B10R1.21 NOCCCC1=CC=CO1 1204451 [0,2,0,0,0,0|1,0,0]=3 113 B10R1.27 COC(=O)CC1=CC=CS1 1973364 [0,2,0,0,0,0|0,2,0]=4 114 B10R1.66 CC(C)NCC1=CC=CO1 1089622 [0,2,0,0,0,0|1,0,0]=3 115 B10R1.66 O=C(O)CCC1=CC=CO1 7118560814 [0,2,0,0,0,0|1,0,1]=4 116 B8R1.2 CSC1=CC=CC=C1 2826254 [0,0,1,1,0,0|1,0,1]=4 117 B8R1.5 CC1=C(O)C=CC=C1 2825709 [0,0,1,1,0,0|1,0,1]=4 118 B8R1.4 CC1=CC(O)=CC=C1 2825708 [0,0,1,1,0,0|1,0,1]=4 119 B10R2.6 C1=CC=C(C2CN2)C=C1 4194135 [0,0,0,1,0,1|2,0,0]=4 120 B10R2.6 C1=CC=C(C2CO2)C=C1 1205184 [0,0,0,1,0,1|1,1,0]=4 121 B10R2.7 C1=CC=C2CCCC2=C1 1778681 [0,0,0,1,0,1|2,0,0]=4 122 B10R2.7 C1=CC=C2CNCC2=C1 2087229 [0,0,0,1,0,1|2,0,0]=4