0 B13R2.292 CCCC1NCCN2C1=CC=C2 MCULE-4398542574 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.292 CNCC1OCCC2=C1C=CS2 MCULE-1911155645 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.292 CNCC1OCCC2=C1SC=C2 MCULE-4227968354 [0,0,0,0,0,0|0,0,0]=0 3 B13R2.292 CNCC1OCCC2=C1SC=C2 MCULE-7003643230 [0,0,0,0,0,0|0,0,0]=0 4 B13R2.292 CNC[C@@H]1OCCC2=C1SC=C2 MCULE-2419454514 [0,0,0,0,0,0|0,0,0]=0 5 B13R2.292 CNC[C@@H]1OCCC2=C1SC=C2 MCULE-6484967369 [0,0,0,0,0,0|0,0,0]=0 6 B13R2.292 CNC[C@@H]1OCCC2=C1SC=C2 MCULE-7227507824 [0,0,0,0,0,0|0,0,0]=0 7 B13R2.292 CNC[C@@H]1OCCC2=C1SC=C2 MCULE-9111359516 [0,0,0,0,0,0|0,0,0]=0 8 B13R2.292 CNC[C@H]1OCCC2=C1SC=C2 MCULE-1566961696 [0,0,0,0,0,0|0,0,0]=0 9 B13R2.292 CNC[C@H]1OCCC2=C1SC=C2 MCULE-4753069609 [0,0,0,0,0,0|0,0,0]=0 10 B12R2.315 CCC1NCCC2=C1C=CS2 MCULE-7830546575 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.315 CCC1NCCC2=C1C=CS2 MCULE-8745434342 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.315 CCC1NCCC2=C1N=CN2 MCULE-9489080349 [1,0,0,0,0,0|3,0,0]=4 13 B12R2.315 CCC1NCCC2=C1NC=N2 MCULE-7012648998 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.315 CCC1NCCN2C1=CC=C2 MCULE-3787675334 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.315 CCC1NCCN2C1=CC=C2 MCULE-9581756162 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.315 NCC1CCCN2C1=NC=C2 MCULE-7688312556 [1,0,0,0,0,0|3,0,0]=4 17 B12R2.315 NCC1OCCC2=C1C=CS2 MCULE-1322863924 [1,0,0,0,0,0|2,0,0]=3 18 B12R2.315 NC[C@@H]1CCCN2C1=CC=C2 MCULE-2848858372 [1,0,0,0,0,0|3,0,0]=4 19 B14R2.9440 O=C(O)CC1OCCC2=C1SC=C2 MCULE-9016165881 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.37 CCCCCCCC1=CNC=C1 MCULE-2153433390 [0,0,1,0,0,0|3,0,0]=4 21 B12R1.37 CCCCCCCC1=CSC=C1 MCULE-2252729467 [0,0,1,0,0,0|2,0,0]=3 22 B12R1.293 CCOC(OCC)C1=CC=CO1 MCULE-2361981591 [0,0,1,0,0,0|2,1,0]=4 23 B12R1.293 CCOC(OCC)C1=CC=CS1 MCULE-3316383719 [0,0,1,0,0,0|2,0,0]=3 24 B14R3.3046 C1=C2CCC3CNCC3C2=NN1 MCULE-4891361937 [0,0,0,1,0,0|3,0,0]=4 25 B14R2.7150 CCCC1NCCC2=C1C=CC=C2 MCULE-2257561688 [0,0,0,0,0,1|3,0,0]=4 26 B14R2.7150 CNCC1OCCC2=C1C=CC=C2 MCULE-3673609020 [0,0,0,0,0,1|1,0,0]=2 27 B14R2.7150 C[NH2+]CC1OCCC2=C1C=CC=C2 MCULE-9752155816 [0,0,0,0,0,1|1,0,1]=3 28 B14R2.7150 N#CCC1OCCC2=C1C=CC=C2 MCULE-9621751935 [0,0,0,0,0,1|3,0,0]=4 29 B14R2.7150 NCCC1OCCC2=C1C=CC=C2 MCULE-1834094260 [0,0,0,0,0,1|3,0,0]=4 30 B11R1.4 CCCCCCC1=CSC=C1 MCULE-3133862913 [1,0,1,0,0,0|1,0,0]=3 31 B11R1.4 CCCCNCC1=CSC=C1 MCULE-6394222480 [1,0,1,0,0,0|2,0,0]=4 32 B11R1.4 CCCCNCC1=CSC=C1 MCULE-9969002892 [1,0,1,0,0,0|2,0,0]=4 33 B11R1.4 COCCNCC1=CSC=C1 MCULE-1659285460 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.4 COCCNCC1=CSC=C1 MCULE-8081923238 [1,0,1,0,0,0|2,0,0]=4 35 B11R1.2 CCOC(CN)C1=CC=CS1 MCULE-7644277327 [1,0,1,0,0,0|0,0,0]=2 36 B11R1.2 CCOC(CO)C1=CC=CS1 MCULE-5984777530 [1,0,1,0,0,0|1,0,0]=3 37 B11R1.168 COC(CN)C1=C(C=CS1)C MCULE-9940752790 [1,0,1,0,0,0|0,0,0]=2 38 B11R1.168 COC(CO)C1=C(C=CS1)C MCULE-9572100525 [1,0,1,0,0,0|1,0,0]=3 39 B11R1.199 CCCC(O)C1=C(C=CS1)C MCULE-1970733581 [1,0,1,0,0,0|1,0,0]=3 40 B11R1.199 CCC[C@@H](N)C1=C(C=CS1)C MCULE-2014463399 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.199 CCC[C@@H](N)C1=C(C=CS1)C MCULE-3765986287 [1,0,1,0,0,0|2,0,0]=4 42 B11R1.199 CCC[C@H](N)C1=C(C=CS1)C MCULE-3724199663 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.199 CCC[C@H](N)C1=C(C=CS1)C MCULE-8848104919 [1,0,1,0,0,0|2,0,0]=4 44 B11R2.106 CC1NCCC2=C1SC=C2 MCULE-9526151326 [2,0,0,0,0,0|1,0,0]=3 45 B11R2.106 NC1CCCC2=C1OC=C2 MCULE-9585053252 [2,0,0,0,0,0|1,1,0]=4 46 B11R2.106 O=C1OCCC2=C1SC=C2 MCULE-9192228471 [2,0,0,0,0,0|1,0,1]=4 47 B13R1.119 CCCCCCCCC1=CSC=C1 MCULE-6916822614 [0,1,1,0,0,0|2,0,0]=4 48 B13R1.119 COCCOCCOC1=CSC=C1 MCULE-6205381324 [0,1,1,0,0,0|1,0,0]=3 49 B13R1.1344 CCOC(OCC)C1=C(C=CS1)C MCULE-8875487790 [0,1,1,0,0,0|2,0,0]=4 50 B13R1.397 CCOC(OCC)C1=CC=C(S1)C MCULE-6663883064 [0,1,1,0,0,0|2,0,0]=4 51 B13R2.581 CNC1CCCC2=C1SC(=N2)C MCULE-6364560135 [1,1,0,0,0,0|2,0,0]=4 52 B13R2.2565 CC1(OCCC2=C1C=CS2)CN MCULE-2927387054 [1,1,0,0,0,0|2,0,0]=4 53 B13R2.2565 CC1(OCCC2=C1C=CS2)CN MCULE-5555662605 [1,1,0,0,0,0|2,0,0]=4 54 B13R2.5569 CC(N)C1OCCC2=C1C=CS2 MCULE-2343038755 [1,1,0,0,0,0|2,0,0]=4 55 B13R2.5569 CC(N)C1OCCC2=C1C=CS2 MCULE-7973866403 [1,1,0,0,0,0|2,0,0]=4 56 B15R2.18471 CCNCC1OCCC2=C1C=CC=C2 MCULE-1731822583 [0,1,0,0,0,1|1,0,0]=3 57 B15R2.18471 CCNCC1OCCC2=C1C=CC=C2 MCULE-9814800989 [0,1,0,0,0,1|1,0,0]=3 58 B15R2.18471 CONCC1CCCC2=C1C=CC=C2 MCULE-1635005496 [0,1,0,0,0,1|2,0,0]=4 59 B15R2.18471 CONCC1CCCC2=C1C=CC=C2 MCULE-2922236251 [0,1,0,0,0,1|2,0,0]=4 60 B15R2.79765 CNC(=O)C1OCCC2=CC=CC=C12 MCULE-2623284790 [0,1,0,0,0,1|1,0,1]=4 61 B13R2.64 C1=CC(=CO1)CC2CCCNC2 MCULE-2222440969 [0,0,1,1,0,0|1,1,0]=4 62 B13R2.64 C1=CC(=CO1)CC2CCCNC2 MCULE-7971376149 [0,0,1,1,0,0|1,1,0]=4 63 B13R2.64 C1=CC(=CS1)CC2CCCNC2 MCULE-3575489250 [0,0,1,1,0,0|1,0,0]=3 64 B13R2.64 C1=CN(C=N1)CC2CNCCO2 MCULE-1270740506 [0,0,1,1,0,0|2,0,0]=4 65 B13R2.64 C1=CN(C=N1)CC2CNCCO2 MCULE-6082908452 [0,0,1,1,0,0|2,0,0]=4 66 B13R2.64 C1=CN(C=N1)C[C@@H]2CNCCO2 MCULE-7906229165 [0,0,1,1,0,0|2,0,0]=4 67 B13R2.64 C1=CN(C=N1)C[C@@H]2CNCCO2 MCULE-9428003853 [0,0,1,1,0,0|2,0,0]=4 68 B13R2.15 BrC1=C(SC=C1)[C@@H]2CNCCN2 MCULE-7836612957 [0,0,1,1,0,0|2,0,0]=4 69 B13R2.15 BrC1=C(SC=C1)[C@@H]2CNCCN2 MCULE-8017727396 [0,0,1,1,0,0|2,0,0]=4 70 B13R2.15 BrC1=C(SC=C1)[C@H]2CNCCN2 MCULE-3855253017 [0,0,1,1,0,0|2,0,0]=4 71 B13R2.15 BrC1=C(SC=C1)[C@H]2CNCCN2 MCULE-8590825151 [0,0,1,1,0,0|2,0,0]=4 72 B13R2.15 CC1=C(SC=C1)[C@@H]2CCCCN2 MCULE-2300195061 [0,0,1,1,0,0|2,0,0]=4 73 B13R2.15 CC1=C(SC=C1)[C@@H]2CCCCN2 MCULE-7757522937 [0,0,1,1,0,0|2,0,0]=4 74 B13R2.15 CC1=C(SC=C1)[C@@H]2CNCCN2 MCULE-3639591425 [0,0,1,1,0,0|1,0,0]=3 75 B13R2.15 CC1=C(SC=C1)[C@@H]2CNCCN2 MCULE-5167566926 [0,0,1,1,0,0|1,0,0]=3 76 B13R2.15 CC1=C(SC=C1)[C@@H]2COCCN2 MCULE-3799665206 [0,0,1,1,0,0|2,0,0]=4 77 B13R2.15 CC1=C(SC=C1)[C@@H]2COCCN2 MCULE-4505992185 [0,0,1,1,0,0|2,0,0]=4 78 B13R2.15 CC1=C(SC=C1)[C@H]2CCCCN2 MCULE-2180087419 [0,0,1,1,0,0|2,0,0]=4 79 B13R2.15 CC1=C(SC=C1)[C@H]2CCCCN2 MCULE-8130189984 [0,0,1,1,0,0|2,0,0]=4 80 B13R2.15 CC1=C(SC=C1)[C@H]2CNCCN2 MCULE-2009940873 [0,0,1,1,0,0|1,0,0]=3 81 B13R2.15 CC1=C(SC=C1)[C@H]2CNCCN2 MCULE-9133142128 [0,0,1,1,0,0|1,0,0]=3 82 B13R2.15 CC1=C(SC=C1)[C@H]2COCCN2 MCULE-2777449507 [0,0,1,1,0,0|2,0,0]=4 83 B13R2.15 CC1=C(SC=C1)[C@H]2COCCN2 MCULE-7909016644 [0,0,1,1,0,0|2,0,0]=4 84 B13R2.15 CC1=CNN=C1C2CNCCO2 MCULE-1406591928 [0,0,1,1,0,0|2,0,0]=4 85 B13R2.15 CC1=CNN=C1C2CNCCO2 MCULE-9669889072 [0,0,1,1,0,0|2,0,0]=4 86 B13R2.15 ClC1=C(SC=C1)[C@@H]2CNCCN2 MCULE-1945240237 [0,0,1,1,0,0|2,0,0]=4 87 B13R2.15 ClC1=C(SC=C1)[C@@H]2CNCCN2 MCULE-2345796348 [0,0,1,1,0,0|2,0,0]=4 88 B13R2.15 ClC1=C(SC=C1)[C@H]2CNCCN2 MCULE-7722171578 [0,0,1,1,0,0|2,0,0]=4 89 B13R2.15 ClC1=C(SC=C1)[C@H]2CNCCN2 MCULE-9071527351 [0,0,1,1,0,0|2,0,0]=4 90 B13R2.8590 COC1(CNC1)C2=NC=CN2C MCULE-5200764616 [0,0,1,1,0,0|2,0,0]=4 91 B13R2.8590 COC1(CNC1)C2=NC=CN2C MCULE-5810995163 [0,0,1,1,0,0|2,0,0]=4 92 B13R2.1 CNCC1OCC2=C1C=CC=C2 MCULE-9297697535 [0,0,1,1,0,0|1,0,1]=4 93 B13R2.13 CC1CNCC(O1)C2=CSC=C2 MCULE-1212925463 [0,0,1,1,0,0|2,0,0]=4 94 B13R2.13 CN1CCNC(C1)C2=CC=CS2 MCULE-1295002045 [0,0,1,1,0,0|1,0,0]=3 95 B13R2.13 NC1CCOC(C1)C2=CC=CS2 MCULE-2402630005 [0,0,1,1,0,0|2,0,0]=4 96 B13R2.13 NC1CCOC(C1)C2=CC=CS2 MCULE-3610116779 [0,0,1,1,0,0|2,0,0]=4 97 B13R2.5393 CC1CN(C(C2=C1NC=C2)C)C MCULE-1442952546 [0,0,1,1,0,0|2,0,0]=4 98 B13R2.5393 CC1CN(C(C2=C1NC=C2)C)C MCULE-6216057978 [0,0,1,1,0,0|2,0,0]=4 99 B15R3.1969 C1=CC2=C3C(=C1)CCCC3CNC2 MCULE-1507705505 [0,0,0,1,0,1|2,0,0]=4 100 B15R3.1969 C1=CC2=C3C(=C1)CCCC3CNC2 MCULE-3921911073 [0,0,0,1,0,1|2,0,0]=4 101 B15R3.4424 C1=CC=C2C(=C1)CCCC23CNC3 MCULE-2996449246 [0,0,0,1,0,1|2,0,0]=4 102 B13R1.2 CNCC(OC)C1=CC(=CC=C1)Br MCULE-1116351965 [0,0,1,0,0,1|2,0,0]=4 103 B13R1.2 CNCC(OC)C1=CC(=CC=C1)Cl MCULE-6461533058 [0,0,1,0,0,1|2,0,0]=4 104 B13R1.2 CNCC(OC)C1=CC(=CC=C1)F MCULE-4897827995 [0,0,1,0,0,1|2,0,0]=4 105 B13R1.173 CNCC(OC)C1=C(C=CC=C1)C MCULE-4309885198 [0,0,1,0,0,1|1,0,0]=3 106 B13R1.173 CNCC(OC)C1=C(C=CC=C1)Cl MCULE-4931727027 [0,0,1,0,0,1|2,0,0]=4 107 B13R1.173 CNCC(OC)C1=C(C=CC=C1)F MCULE-5131553153 [0,0,1,0,0,1|2,0,0]=4 108 B13R1.398 CCOC(CNC)C1=CC=CC=C1 MCULE-8245366785 [0,0,1,0,0,1|1,0,0]=3 109 B13R1.460 CCCC(O)C1=CC=CC(=C1)CC MCULE-6495247714 [0,0,1,0,0,1|2,0,0]=4 110 B13R1.460 CNCC(O)C1=CC(=CC=C1)OC MCULE-7766475569 [0,0,1,0,0,1|2,0,0]=4 111 B13R1.464 CCCC(O)C1=CC=CC=C1CC MCULE-4808265125 [0,0,1,0,0,1|2,0,0]=4 112 B13R1.464 CNCC(O)C1=C(C=CC=C1)OC MCULE-5246906483 [0,0,1,0,0,1|2,0,0]=4