0 B15R3.3 C1=CC2=C(C=C1)C3=C(CCNC3)N2 4088972 [0,0,0,0,0,0|0,0,0]=0 1 B15R3.3 C1=CC2=C(C=C1)C3=C(CCNC3)N2 4110640 [0,0,0,0,0,0|0,0,0]=0 2 B16R3.2583 CC1=CC=C2NC3=C(CNCC3)C2=C1 4002714 [0,1,0,0,0,0|0,0,0]=1 3 B16R3.2583 ClC1=CC=C2NC3=C(CNCC3)C2=C1 4002721 [0,1,0,0,0,0|0,0,0]=1 4 B16R3.2583 FC1=CC=C2NC3=C(CNCC3)C2=C1 4031232 [0,1,0,0,0,0|0,0,0]=1 5 B16R3.2583 FC1=CC=C2NC3=C(CNCC3)C2=C1 4085297 [0,1,0,0,0,0|0,0,0]=1 6 B16R3.3329 CC1=C2NC3=C(CNCC3)C2=CC=C1 4002715 [0,1,0,0,0,0|0,0,0]=1 7 B16R3.3329 ClC1=C2NC3=C(CNCC3)C2=CC=C1 4002722 [0,1,0,0,0,0|0,0,0]=1 8 B16R3.3329 ClC1=C2NC3=C(CNCC3)C2=CC=C1 4089813 [0,1,0,0,0,0|0,0,0]=1 9 B16R3.3329 NC1=CC=CC2=C1OC3=C2CCCC3 4013736 [0,1,0,0,0,0|2,0,0]=3 10 B14R2.24 CC1=C(C2CCCNC2)C=CC=C1 4004742 [0,0,1,0,0,0|1,0,2]=4 11 B14R2.24 CC1=C(C2CCCNC2)C=CC=C1 4087818 [0,0,1,0,0,0|1,0,2]=4 12 B14R2.24 CN1CCNCC1C2=CC=CC=C2 4002084 [0,0,1,0,0,0|2,0,1]=4 13 B14R2.24 N[C@@H]1CCCC[C@H]1C2=CC=CC=C2 4003492 [0,0,1,0,0,0|1,0,2]=4 14 B14R2.44 CN1C(CCN)=NC2=C1C=CC=C2 4088092 [0,0,1,0,0,0|1,0,1]=3 15 B14R2.44 CN1C(CCN)=NC2=C1C=CC=C2 4100113 [0,0,1,0,0,0|1,0,1]=3 16 B14R2.44 CN1C(CCO)=NC2=C1C=CC=C2 4025480 [0,0,1,0,0,0|2,0,1]=4 17 B14R2.44 CN1C(CCO)=NC2=C1C=CC=C2 4089162 [0,0,1,0,0,0|2,0,1]=4 18 B14R2.44 CNCC1=C(C)C2=CC=CC=C2N1 4010855 [0,0,1,0,0,0|2,0,0]=3 19 B14R2.44 CNCC1=C(C)C2=CC=CC=C2N1 4089656 [0,0,1,0,0,0|2,0,0]=3 20 B14R2.67 CNCCC1=NC2=CC=CC=C2N1 4009686 [0,0,1,0,0,0|1,0,0]=2 21 B14R2.67 NCCCC1=NC2=CC=CC=C2N1 4090500 [0,0,1,0,0,0|3,0,0]=4 22 B14R2.67 NCCCC1=NC2=CC=CC=C2N1 4110846 [0,0,1,0,0,0|3,0,0]=4 23 B14R2.517 CC1=C(CCN)C2=C(C=CC=C2)N1 4089476 [0,0,1,0,0,0|2,0,0]=3 24 B14R2.517 CC1=C(CCN)C2=C(C=CC=C2)N1 4101229 [0,0,1,0,0,0|2,0,0]=3 25 B13R2.1 CNCC1=CN=C2C=CC=CN12 4087978 [1,0,1,0,0,0|1,0,1]=4 26 B13R2.1 CNCC1=CN=C2C=CC=CN12 4102750 [1,0,1,0,0,0|1,0,1]=4 27 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 4003675 [1,0,1,0,0,0|0,0,2]=4 28 B13R2.3 C1=CC=C(C2CNCCO2)C=C1 4036679 [1,0,1,0,0,0|1,0,1]=4 29 B13R2.26 CNCC1=CC2=CC=CC=C2S1 4100820 [1,0,1,0,0,0|1,0,0]=3 30 B13R2.26 CNCC1=NC2=CC=CC=C2N1 4100109 [1,0,1,0,0,0|1,0,0]=3 31 B13R2.26 CNCC1=NC2=CC=CC=C2S1 4100808 [1,0,1,0,0,0|1,0,1]=4 32 B13R2.26 NCCC1=CN2C=CC=CC2=N1 4102751 [1,0,1,0,0,0|1,0,1]=4 33 B13R2.26 NCCC1=NC2=C(C=CC=C2)N1 4090541 [1,0,1,0,0,0|1,0,0]=3 34 B13R2.26 NCCC1=NC2=C(C=CC=C2)N1 4100111 [1,0,1,0,0,0|1,0,0]=3 35 B13R2.26 NCCC1=NC2=C(C=CC=C2)S1 4100812 [1,0,1,0,0,0|1,0,1]=4 36 B13R2.26 NCCC1=NC2=CC=CC=C2O1 4101051 [1,0,1,0,0,0|1,0,1]=4 37 B13R2.26 OCCC1=NC2=CC=CC=C2N1 4021820 [1,0,1,0,0,0|2,0,0]=4 38 B13R2.45 CC1=C(C=O)NC2=CC=CC=C21 4003347 [1,0,1,0,0,0|1,0,1]=4 39 B13R2.45 CC1=C(CN)OC2=CC=CC=C21 4041189 [1,0,1,0,0,0|1,0,0]=3 40 B13R2.45 CN1C2=CC=CC=C2N=C1CN 4087951 [1,0,1,0,0,0|1,0,1]=4 41 B13R2.45 CN1C2=CC=CC=C2N=C1CN 4089170 [1,0,1,0,0,0|1,0,1]=4 42 B13R2.45 CN1C2=CC=CC=C2N=C1CN 4100112 [1,0,1,0,0,0|1,0,1]=4 43 B13R2.45 NCC1=C(Cl)C2=CC=CC=C2S1 4006175 [1,0,1,0,0,0|2,0,0]=4 44 B13R2.135 CCN1C(=O)NC2=CC=CC=C21 4036407 [1,0,1,0,0,0|2,0,0]=4 45 B15R2.6 CC(=O)CCC1=CNC2=CC=CC=C12 4003908 [0,1,1,0,0,0|1,0,1]=4 46 B15R2.38 O=C1CCCCC1NC2=CC=CC=C2 5104252 [0,1,1,0,0,0|1,0,1]=4 47 B15R2.89 CN1C(CCCN)=NC2=C1C=CC=C2 4033392 [0,1,1,0,0,0|1,0,1]=4 48 B15R2.89 CN1C(CCCN)=NC2=C1C=CC=C2 4089460 [0,1,1,0,0,0|1,0,1]=4 49 B15R2.889 CCN1C2=CC=CC=C2N=C1CCN 4100562 [0,1,1,0,0,0|1,0,1]=4 50 B15R2.346 CNCCC1=NC2=CC(Cl)=CC=C2N1 4009687 [0,1,1,0,0,0|1,0,0]=3 51 B15R2.346 CNCCC1=NC2=CC(F)=CC=C2N1 4009689 [0,1,1,0,0,0|1,0,0]=3 52 B15R2.351 CNCCC1=NC2=C(C)C=CC=C2N1 4010695 [0,1,1,0,0,0|1,0,0]=3 53 B15R2.2203 CCNCCC1=NC2=CC=CC=C2N1 4010707 [0,1,1,0,0,0|1,0,0]=3 54 B15R2.2203 CCNCCC1=NC2=CC=CC=C2N1 4089343 [0,1,1,0,0,0|1,0,0]=3 55 B15R2.2203 CNCCCC1=NC2=CC=CC=C2N1 4110847 [0,1,1,0,0,0|1,0,0]=3 56 B15R2.56717 CC1=C(CCN)C2=C(C=CC(Cl)=C2)N1 4101232 [0,1,1,0,0,0|2,0,0]=4 57 B17R3.1513 COC1=CC=C2NC3=C(CNCC3)C2=C1 4002723 [0,2,0,0,0,0|0,0,0]=2 58 B17R3.284867 O=C1CCCC2=C1NC3=C2C=C(Cl)C=C3 6043153 [0,2,0,0,0,0|1,0,1]=4 59 B17R3.284867 O=C1CCCC2=C1NC3=CC=C(Br)C=C32 5130428 [0,2,0,0,0,0|1,0,1]=4 60 B17R3.30495 NC1=CC=C2C(=C1)NC3=C2CCCC3=O 4032723 [0,2,0,0,0,0|1,0,1]=4 61 B17R3.51174 CN1C2=C(C=CC=C2)C3=C1C(=O)CCC3 4013289 [0,2,0,0,0,0|1,0,1]=4 62 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 4042868 [0,0,1,0,1,0|1,0,1]=4 63 B13R2.64 C1=CC=C(O[C@@H]2CCNC2)C=C1 4108334 [0,0,1,0,1,0|1,0,1]=4 64 B13R2.15 NC1=C(C2=CC=CC=C2)NN=C1 4019943 [0,0,1,0,1,0|1,0,1]=4 65 B13R2.18 ClC1=C(C2CCNC2)C=CC=C1 4006410 [0,0,1,0,1,0|1,0,1]=4 66 B13R2.18 FC1=C(C2CCNC2)C=CC=C1 4006408 [0,0,1,0,1,0|1,0,1]=4 67 B13R2.18 NC1=CC=CC=C1N2CCCC2 4010392 [0,0,1,0,1,0|1,0,1]=4 68 B15R2.886 NCCC1=NC2=CC=CC=C2C(=O)N1 4009697 [0,0,1,0,0,1|1,0,1]=4 69 B15R2.886 NCCC1=NC2=CC=CC=C2C(=O)N1 4088034 [0,0,1,0,0,1|1,0,1]=4