0 B14R2.4640 CC1(C)CCNC2=C1C=CC(Br)=C2 CS-W004481 [0,0,0,0,0,0|2,0,0]=2 1 B13R2.3122 CC1(C)CNCC2=C1C=CC=C2 CS-0071036 [1,0,0,0,0,0|1,0,0]=2 2 B13R2.3122 CC1(C)NCCC2=CC=CC=C21 CS-0308381 [1,0,0,0,0,0|1,0,0]=2 3 B13R2.3122 CC1(O)CCCC2=CC=CC=C21 CS-0447048 [1,0,0,0,0,0|1,0,0]=2 4 B13R2.5179 N[C@H]1CCCC2=C1C=CC(Br)=C2 CS-0131236 [1,0,0,0,0,0|2,0,0]=3 5 B13R2.5179 OC1CCCC2=CC(Cl)=CC=C21 CS-0534190 [1,0,0,0,0,0|2,0,0]=3 6 B15R2.7491 CC1(C)CC(=O)NC2=C1C=CC(Cl)=C2 CS-0463172 [0,1,0,0,0,0|2,0,1]=4 7 B15R2.7491 CC1(C)CC(=O)NC2=C1C=CC(F)=C2 CS-0341398 [0,1,0,0,0,0|2,0,1]=4 8 B15R2.7491 CC1(C)CC(=O)NC2=C1C=CC(O)=C2 CS-0698732 [0,1,0,0,0,0|2,0,1]=4 9 B15R2.7491 CC1=CC2=C(C=C1)C(C)(C)CC(=O)N2 CS-0507473 [0,1,0,0,0,0|1,0,1]=3 10 B13R1.149 CC(C)CCOC1=CC=CC(N)=C1 CS-0251672 [0,0,1,0,0,0|2,0,0]=3 11 B13R1.149 CC(C)CNCC1=CC=CC(Cl)=C1 CS-0125689 [0,0,1,0,0,0|2,0,0]=3 12 B13R1.149 CC(C)CNCC1=CC=CC(F)=C1 CS-0125705 [0,0,1,0,0,0|2,0,0]=3 13 B13R1.149 CC1=CC(CNCC(C)C)=CC=C1 CS-0125694 [0,0,1,0,0,0|1,0,0]=2 14 B13R1.149 CN(C)CCOC1=CC=CC(N)=C1 CS-0931069 [0,0,1,0,0,0|3,0,0]=4 15 B13R2.3108 CC1(C)CNC2=C1C=CC(N)=C2 CS-0054071 [0,0,0,0,1,0|2,0,0]=3 16 B12R1.9 CC(C)(CO)C1=CC=C(Cl)C=C1 CS-0213139 [1,0,1,0,0,0|2,0,0]=4 17 B12R1.9 CC(C)(CO)C1=CC=C(N)C=C1 CS-W021398 [1,0,1,0,0,0|2,0,0]=4 18 B12R1.9 CCC(C)(C)C1=CC=C(Br)C=C1 CS-0223689 [1,0,1,0,0,0|1,0,0]=3 19 B12R1.9 CCC(C)(C)C1=CC=C(N)C=C1 CS-0214744 [1,0,1,0,0,0|1,0,0]=3 20 B12R1.16 CC1=CC=C(C(N)CCO)C=C1 CS-0172124 [1,0,1,0,0,0|2,0,0]=4 21 B12R1.16 CC1=CC=C(N(C)CCO)C=C1 CS-0661735 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 CS-0172119 [1,0,1,0,0,0|2,0,0]=4 23 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 CS-W010856 [1,0,1,0,0,0|1,0,1]=4 24 B12R1.16 CCCC(N)C1=CC=C(O)C=C1 CS-0968976 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.39 CC(C)(CCO)C1=CC=CC=C1 CS-0073186 [1,0,1,0,0,0|1,0,0]=3 26 B12R1.39 CCCC(C)(O)C1=CC=CC=C1 CS-0452518 [1,0,1,0,0,0|1,0,0]=3 27 B12R1.57 COC1=C(C(C)C)C=CC(C)=C1 CS-0335474 [1,0,1,0,0,0|1,0,0]=3 28 B12R1.76 CC(C)(C)C1=CC=CC=C1CN CS-0825130 [1,0,1,0,0,0|1,0,0]=3 29 B12R1.76 COC1=CC=CC=C1C(C)(C)C CS-0210371 [1,0,1,0,0,0|1,0,0]=3 30 B12R1.76 COC1=CC=CC=C1C(C)(C)N CS-0258022 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.28 CC1=CC(CCCCBr)=CC=C1 CS-0511591 [1,0,1,0,0,0|1,0,0]=3 32 B12R1.28 CC1=CC=CC(CNCCO)=C1 CS-1056439 [1,0,1,0,0,0|2,0,0]=4 33 B12R1.28 CC1=CC=CC(CSCCO)=C1 CS-0713971 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.28 CCCCCC1=CC(O)=CC=C1 CS-0249242 [1,0,1,0,0,0|1,0,0]=3 35 B12R1.28 CCCCSC1=CC=CC(Br)=C1 CS-0447346 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.28 CCCNCC1=CC=CC(F)=C1 CS-0125187 [1,0,1,0,0,0|2,0,0]=4 37 B12R1.28 CNCCOC1=CC=CC(C)=C1 CS-0522992 [1,0,1,0,0,0|2,0,0]=4 38 B12R1.28 FC1=CC(CCCCBr)=CC=C1 CS-0334390 [1,0,1,0,0,0|2,0,0]=4 39 B12R1.28 OCCCCC1=CC=CC(Cl)=C1 CS-0524218 [1,0,1,0,0,0|2,0,0]=4 40 B12R1.252 CC(C)CNCC1=NC=CC=C1 CS-0122969 [1,0,1,0,0,0|2,0,0]=4 41 B12R1.252 CC(O)CNCC1=CC=CC=C1 CS-0217778 [1,0,1,0,0,0|2,0,0]=4 42 B12R1.252 CN(C)CCOC1=CC=CC=C1 CS-0151274 [1,0,1,0,0,0|2,0,0]=4 43 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 CS-0158775 [1,0,1,0,0,0|2,0,0]=4 44 B12R1.268 CNCC1=CC(C)=CC=C1OC CS-0301506 [1,0,1,0,0,0|2,0,0]=4 45 B12R1.283 CC(C)C1=CC=CC=C1CC#N CS-0435030 [1,0,1,0,0,0|1,0,1]=4 46 B12R1.283 CCOC1=CC=CC=C1C(C)O CS-0252503 [1,0,1,0,0,0|2,0,0]=4 47 B12R1.195 CC(C)(CO)C1=CC=CC=C1F CS-0441736 [1,0,1,0,0,0|2,0,0]=4 48 B12R1.195 CC1=CC=CC=C1C(C)(C)C#N CS-0662178 [1,0,1,0,0,0|1,0,1]=4 49 B12R1.195 CCC(C)(C)C1=C(O)C=CC=C1 CS-0205119 [1,0,1,0,0,0|1,0,0]=3 50 B12R1.1703 CCC(=O)C1=C(C)C=C(C)C=C1 CS-0316128 [1,0,1,0,0,0|1,0,1]=4 51 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 CS-0207236 [1,0,1,0,0,0|1,0,0]=3 52 B12R1.1703 CCC(N)C1=C(C)C=C(C)C=C1 CS-0216976 [1,0,1,0,0,0|1,0,0]=3 53 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 CS-0196464 [1,0,1,0,0,0|1,0,0]=3 54 B12R1.1703 CNC(C)C1=CC=C(C)C=C1C CS-0246530 [1,0,1,0,0,0|1,0,0]=3 55 B12R2.1081 CC1=NCCC2=C1C=CC=C2 CS-0237371 [2,0,0,0,0,0|1,0,1]=4 56 B12R2.1081 CC1CNCC2=CC=CC=C21 CS-0036832 [2,0,0,0,0,0|1,0,0]=3 57 B12R2.1081 CC1NCCC2=CC=CC=C21 CS-0152697 [2,0,0,0,0,0|1,0,0]=3 58 B12R2.1081 ClC1CCCC2=CC=CC=C21 CS-0248736 [2,0,0,0,0,0|1,0,0]=3 59 B12R2.1081 NC1CCCC2=C1C=CC=N2 CS-W022272 [2,0,0,0,0,0|2,0,0]=4 60 B12R2.1081 NC1CCCC2=C1C=CN=C2 CS-0120399 [2,0,0,0,0,0|2,0,0]=4 61 B12R2.1081 NC1CCSC2=CC=CC=C21 CS-0285568 [2,0,0,0,0,0|2,0,0]=4 62 B12R2.1081 NC1CCSC2=CC=CC=C21 CS-0535491 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.1081 NN1CCCC2=CC=CC=C21 CS-0186736 [2,0,0,0,0,0|2,0,0]=4 64 B12R2.1081 O[C@@H]1CCCC2=C1N=CC=C2 CS-0102397 [2,0,0,0,0,0|2,0,0]=4 65 B12R2.1081 O[C@H]1CCCC2=C1N=CC=C2 CS-0102424 [2,0,0,0,0,0|2,0,0]=4 66 B12R2.1081 SC1CCCC2=C1C=CC=C2 CS-0251552 [2,0,0,0,0,0|1,0,0]=3 67 B12R2.24 BrC1=CC=C2CCNCC2=C1 CS-W015027 [2,0,0,0,0,0|2,0,0]=4 68 B12R2.24 CC1=CC2=C(C=C1)CNCC2 CS-0309340 [2,0,0,0,0,0|1,0,0]=3 69 B12R2.24 CC1=CC=C2CCCNC2=N1 CS-0099341 [2,0,0,0,0,0|2,0,0]=4 70 B12R2.24 CC1=CC=C2OCCCC2=C1 CS-0252444 [2,0,0,0,0,0|1,0,0]=3 71 B12R2.24 CC1=NC2=C(C=C1)CCCC2 CS-W018203 [2,0,0,0,0,0|1,0,0]=3 72 B12R2.24 ClC1=CC2=C(C=N1)CCCC2 CS-0105671 [2,0,0,0,0,0|2,0,0]=4 73 B12R2.24 FC1=CC=C2CCNCC2=C1 CS-0452204 [2,0,0,0,0,0|2,0,0]=4 74 B12R2.24 FC1=CC=C2CNCCC2=C1 CS-0171031 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.24 FC1=CC=C2OCCCC2=C1 CS-0159918 [2,0,0,0,0,0|2,0,0]=4 76 B12R2.24 NC1=CC2=C(C=C1)CNCC2 CS-0173394 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.24 OC1=CC2=C(C=C1)CCNC2 CS-0096274 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.24 OC1=CC2=C(CCCC2)N=C1 CS-0102443 [2,0,0,0,0,0|2,0,0]=4 79 B12R2.24 SC1=CC=C2CCCCC2=C1 CS-0242933 [2,0,0,0,0,0|1,0,0]=3 80 B14R1.694 CC1=CC=C(C(C)(C)CC(=O)O)C=C1 CS-0072296 [0,1,1,0,0,0|1,0,1]=4 81 B14R1.76 CN(C)CCOC1=CC=CC(CN)=C1 CS-0249424 [0,1,1,0,0,0|2,0,0]=4 82 B14R1.76 COC1=CC(CNCC(C)C)=CC=C1 CS-0125675 [0,1,1,0,0,0|1,0,0]=3 83 B14R1.76 COC1=CC=CC(CNCC(C)C)=C1 CS-0448528 [0,1,1,0,0,0|1,0,0]=3 84 B14R1.687 CC(C)CCOC1=CC=C(N)C(F)=C1 CS-0243811 [0,1,1,0,0,0|2,0,0]=4 85 B14R1.687 CC(C)CNCC1=CC=C(F)C(Cl)=C1 CS-0236213 [0,1,1,0,0,0|2,0,0]=4 86 B14R1.5978 CC(C)CC(=O)CC1=CC=CC(Cl)=C1 CS-0257872 [0,1,1,0,0,0|1,0,1]=4 87 B14R1.6072 CC(C)CNCC1=CC(Br)=CC=C1F CS-0209957 [0,1,1,0,0,0|2,0,0]=4 88 B14R1.6072 CC(C)CNCC1=CC(Cl)=CC=C1Br CS-0235833 [0,1,1,0,0,0|2,0,0]=4 89 B14R2.3459 NCC1(O)CCCC2=C1C=CC=C2 CS-0363666 [1,1,0,0,0,0|1,0,0]=3 90 B14R2.4536 CC1(C)CCNC2=C1C=C(Cl)C=C2 CS-0279299 [1,1,0,0,0,0|1,0,0]=3 91 B14R2.4536 CC1(C)CNCC2=C1C=C(Br)C=C2 CS-0136284 [1,1,0,0,0,0|1,0,0]=3 92 B14R2.4536 CC1(C)CNCC2=C1C=C(Br)C=C2 CS-0216406 [1,1,0,0,0,0|1,0,0]=3 93 B14R2.8189 CC1(C)CC(=O)NC2=CC=CC=C21 CS-0340819 [1,1,0,0,0,0|1,0,1]=4 94 B14R2.1073 CCN1CCCC2=C1C=CC(F)=C2 CS-0161701 [1,1,0,0,0,0|2,0,0]=4 95 B14R2.1801 COC1=CC2=C(C=C1)C(C)NCC2 CS-0754930 [1,1,0,0,0,0|1,0,0]=3 96 B14R2.1801 COC1=CC2=C(C=C1)C(N)CCO2 CS-0535568 [1,1,0,0,0,0|2,0,0]=4 97 B14R2.1801 COC1=CC=C2C(=C1)CCCC2N CS-0216020 [1,1,0,0,0,0|1,0,0]=3 98 B14R2.1801 COC1=CC=C2C(=C1)CCCC2O CS-0216176 [1,1,0,0,0,0|1,0,0]=3 99 B14R2.1801 CSC1=CC2=C(C=C1)C(=O)CCC2 CS-0252646 [1,1,0,0,0,0|1,0,1]=4 100 B14R2.1801 N#CC1=CC=C2C(=C1)CCCC2O CS-0163111 [1,1,0,0,0,0|1,0,1]=4 101 B14R2.1801 N#CC1=CC=C2C(=C1)CCC[C@H]2N CS-0697907 [1,1,0,0,0,0|1,0,1]=4 102 B14R2.28472 CC1NCCC2=CC(O)=C(O)C=C21 CS-W014069 [1,1,0,0,0,0|2,0,0]=4 103 B14R2.4643 CC1=CC=C2C(=C1)B(O)OC2(C)C CS-0620991 [0,1,0,0,1,0|2,0,0]=4 104 B14R2.8333 CC1(C)CNC2=CC(F)=C(Br)C=C21 CS-1018078 [0,1,0,0,1,0|2,0,0]=4 105 B16R2.84094 CC1=CC2=C(C=C1)C(C)(C)COC2(C)C CS-0161870 [0,2,0,0,0,0|1,0,0]=3 106 B14R2.4398 OC1(C2=CC=C(Br)C=C2)CCCC1 CS-0194300 [0,0,1,1,0,0|2,0,0]=4 107 B14R2.22 CC1=CC(N2CCC(N)C2)=CC=C1 CS-0236142 [0,0,1,1,0,0|2,0,0]=4 108 B14R2.9061 BrC1=CC(CNCC2CC2)=CC=C1 CS-0309168 [0,0,1,1,0,0|2,0,0]=4 109 B14R2.9061 FC1=CC(CCNC2CC2)=CC=C1 CS-0261071 [0,0,1,1,0,0|2,0,0]=4 110 B12R1.130 CC1=C(CNCC(C)C)SC=C1 CS-0125712 [0,0,1,0,1,0|2,0,0]=4 111 B12R1.226 CC(C)CNC1=CC(Cl)=CC=C1 CS-1040163 [0,0,1,0,1,0|2,0,0]=4 112 B12R1.226 CC(C)COC1=CC(Br)=CC=C1 CS-0209282 [0,0,1,0,1,0|2,0,0]=4 113 B12R1.226 CC(C)CSC1=CC=CC(Br)=C1 CS-0211868 [0,0,1,0,1,0|2,0,0]=4 114 B12R1.226 CC(C)NCC1=CC=CC(Cl)=C1 CS-0125027 [0,0,1,0,1,0|2,0,0]=4 115 B12R1.226 CC(C)OCC1=CC(Br)=CC=C1 CS-0223958 [0,0,1,0,1,0|2,0,0]=4 116 B12R1.226 CC(C)OCC1=CC(N)=CC=C1 CS-0251652 [0,0,1,0,1,0|2,0,0]=4 117 B12R1.226 CC1=CC(CNC(C)C)=CC=C1 CS-0125029 [0,0,1,0,1,0|1,0,0]=3 118 B12R1.226 CC1=NC(OCC(C)C)=CC=C1 CS-0780836 [0,0,1,0,1,0|2,0,0]=4 119 B12R2.2365 CC1(C)NCCN2C=CC=C21 CS-0691376 [1,0,0,0,1,0|2,0,0]=4 120 B12R2.2403 C[Si]1(C)OCC2=C1C=CC=C2 CS-0201337 [1,0,0,0,1,0|1,1,0]=4 121 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 CS-0104999 [1,0,0,0,1,0|2,0,0]=4 122 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 CS-0021372 [1,0,0,0,1,0|2,0,0]=4 123 B12R2.612 O[C@@H]1CCC2=C1C=CC(Cl)=C2 CS-0263725 [1,0,0,0,1,0|2,0,0]=4 124 B14R1.148 CN(C)CCNCC1=CC(Cl)=CC=C1 CS-0252126 [0,0,1,0,0,1|2,0,0]=4