0 B15R2.13587 CC(C)CN1C=CC2=C(C=CN=C12)Br MCULE-9822956960 [0,0,0,0,0,0|4,0,0]=4 1 B15R2.13587 CC(C)CN1C=CC2=C1C=CC=C2N MCULE-1809726943 [0,0,0,0,0,0|4,0,0]=4 2 B15R2.13587 CC(C)CN1C=CC2=C1C=CC=C2N MCULE-5059367101 [0,0,0,0,0,0|4,0,0]=4 3 B15R2.13587 CC(O)CN1C=NC2=C(N=CN=C12)N MCULE-3357436266 [0,0,0,0,0,0|0,0,0]=0 4 B15R2.13587 CC(O)CN1C=NC2=C1N=CN=C2N MCULE-7933852120 [0,0,0,0,0,0|0,0,0]=0 5 B15R2.13587 C[C@@H](O)CN1C=NC2=C(N=CN=C12)N MCULE-7602014786 [0,0,0,0,0,0|0,0,0]=0 6 B15R2.13587 C[C@@H](O)CN1C=NC2=C1N=CN=C2Cl MCULE-8166404410 [0,0,0,0,0,0|1,0,0]=1 7 B15R2.13587 C[C@@H](O)CN1C=NC2=C1N=CN=C2N MCULE-9193329450 [0,0,0,0,0,0|0,0,0]=0 8 B15R2.13587 C[C@H](O)CN1C=NC2=C(N=CN=C12)N MCULE-1789314213 [0,0,0,0,0,0|0,0,0]=0 9 B15R2.13587 C[C@H](O)CN1C=NC2=C1N=CN=C2N MCULE-3190995427 [0,0,0,0,0,0|0,0,0]=0 10 B15R2.13587 FC(F)CN1C=CC2=C1N=CN=C2Cl MCULE-8948699813 [0,0,0,0,0,0|4,0,0]=4 11 B15R2.13587 NC1=C2N=CN(C2=NC=N1)CC(=O)O MCULE-3142349463 [0,0,0,0,0,0|1,0,1]=2 12 B15R2.13587 NC1=C2N=CN(C2=NC=N1)CC(=O)O MCULE-3330044681 [0,0,0,0,0,0|1,0,1]=2 13 B15R2.13587 O=C(O)CN1C=NC2=C1N=CNC2=O MCULE-5413961878 [0,0,0,0,0,0|2,0,2]=4 14 B14R2.2 CC(C)CN1C=NC2=CC=CC=C12 MCULE-8756634288 [1,0,0,0,0,0|3,0,0]=4 15 B14R2.7 C#CCN1C=NC2=C(N=CN=C12)N MCULE-3301732903 [1,0,0,0,0,0|0,0,2]=3 16 B14R2.7 C/C=C/N1C=NC2=C(N=CN=C12)N MCULE-8130452466 [1,0,0,0,0,0|0,0,2]=3 17 B14R2.7 C/C=C\N1C=NC2=C(N=CN=C12)N MCULE-2215890696 [1,0,0,0,0,0|0,0,2]=3 18 B14R2.7 C=CCN1C=NC2=C(N=CN=C12)N MCULE-5431462932 [1,0,0,0,0,0|0,0,2]=3 19 B14R2.7 CC=CN1C=NC2=C1N=CN=C2N MCULE-2561510838 [1,0,0,0,0,0|0,0,2]=3 20 B14R2.7 CCCN1C=NC2=C1N=CN=C2N MCULE-5858133052 [1,0,0,0,0,0|0,0,0]=1 21 B14R2.7 NC1=C2C=NN(C2=NC=N1)CCO MCULE-6017548085 [1,0,0,0,0,0|2,0,0]=3 22 B14R2.7 NC1=C2N=CN(C2=NC=N1)CCBr MCULE-3177228459 [1,0,0,0,0,0|1,0,0]=2 23 B14R2.7 NC1=C2N=CN(C2=NC=N1)CCO MCULE-4977129977 [1,0,0,0,0,0|0,0,0]=1 24 B14R2.7 NC1=NC=NC2=C1N=CN2CCCl MCULE-7346848368 [1,0,0,0,0,0|1,0,0]=2 25 B14R2.7 NCCN1C=NC2=C1N=CN=C2N MCULE-7831822044 [1,0,0,0,0,0|1,0,0]=2 26 B14R2.7 NCCN1C=NC2=C1N=CN=C2N MCULE-8705645598 [1,0,0,0,0,0|1,0,0]=2 27 B14R2.7 OCCN1C=CC2=C(N=CN=C12)Cl MCULE-9318135165 [1,0,0,0,0,0|2,0,0]=3 28 B14R2.7 OCCN1N=CC2=C1N=CN=C2Cl MCULE-3717893818 [1,0,0,0,0,0|3,0,0]=4 29 B14R2.7 OCCN1N=CC2=C1N=CN=C2O MCULE-3326631005 [1,0,0,0,0,0|3,0,0]=4 30 B16R2.140 NC1=NC=NC2=C1N=CN2CC(O)CO MCULE-8581173311 [0,1,0,0,0,0|0,0,0]=1 31 B16R2.22832 CC(C(=O)O)N1C=NC2=C1N=CN=C2N MCULE-7271717809 [0,1,0,0,0,0|1,0,1]=3 32 B16R2.22832 NC1=NC=NC2=C1N=CN2C(N)C(=O)O MCULE-7493339956 [0,1,0,0,0,0|1,0,1]=3 33 B16R2.36785 COC1=NC=NC2=C1N=CN2CC(=O)O MCULE-5990270517 [0,1,0,0,0,0|2,0,1]=4 34 B16R2.45232 CC(C)CN1C=CC2=C(N=C(N=C12)Cl)Cl MCULE-7884616834 [0,1,0,0,0,0|3,0,0]=4 35 B16R2.45232 CC1=NC2=C(C=CN2CC(C)C)C(=N1)Cl MCULE-7736603961 [0,1,0,0,0,0|3,0,0]=4 36 B16R2.45232 NC1=NC2=C(N=CN2CC(=O)O)C(=N1)Cl MCULE-3987800470 [0,1,0,0,0,0|2,0,1]=4 37 B16R3.28169 ClC1=C2C=CN(C2=NC=N1)CC3CC3 MCULE-4401307226 [0,0,0,1,0,0|3,0,0]=4 38 B16R3.28169 ClC1=C2N=NN(C2=NC=N1)CC3CC3 MCULE-4785860215 [0,0,0,1,0,0|3,0,0]=4 39 B14R2.8032 CC(C)N1C=CC2=C1N=CN=C2Cl MCULE-4962020685 [0,0,0,0,1,0|3,0,0]=4 40 B14R2.8032 CC(C)N1C=NC2=C1C=CN=C2Cl MCULE-1333777528 [0,0,0,0,1,0|3,0,0]=4 41 B14R2.8032 CC(C)N1C=NC2=C1N=CN=C2Cl MCULE-4479764545 [0,0,0,0,1,0|2,0,0]=3 42 B14R2.8032 CC(C)N1N=NC2=C1N=CN=C2Cl MCULE-1154865961 [0,0,0,0,1,0|3,0,0]=4 43 B16R2.22833 CC(=CCN1C=NC2=C1N=CN=C2N)C MCULE-5302446529 [0,0,0,0,0,1|1,0,1]=3 44 B16R2.22833 NC1=C2N=CN(C2=NC=N1)CCC(=O)O MCULE-2068637225 [0,0,0,0,0,1|1,0,1]=3 45 B16R2.22833 O=C(O)CCN1C=NC2=C(N=CN=C12)O MCULE-4950971053 [0,0,0,0,0,1|2,0,1]=4 46 B13R2.1 CCCN1C=NC2=C1C=CC=C2 MCULE-6531641989 [2,0,0,0,0,0|2,0,0]=4 47 B13R2.1 CCCN1C=NC2=C1C=CC=C2 MCULE-6800421343 [2,0,0,0,0,0|2,0,0]=4 48 B13R2.1 CCCN1C=NC2=CC=CC=C12 MCULE-1523679554 [2,0,0,0,0,0|2,0,0]=4 49 B13R2.1 OCCN1C=NC2=C1C=CC=C2 MCULE-6027584363 [2,0,0,0,0,0|2,0,0]=4 50 B13R2.1 OCCN1C=NC2=CC=CN=C12 MCULE-1129952342 [2,0,0,0,0,0|1,0,0]=3 51 B13R2.9 C=CN1C=NC2=C(N=CN=C12)N MCULE-4418105739 [2,0,0,0,0,0|0,0,2]=4 52 B13R2.9 CCN1C=NC2=C(N=CN=C12)N MCULE-9202438702 [2,0,0,0,0,0|0,0,0]=2 53 B13R2.9 CCN1C=NC2=C1C=CN=C2Cl MCULE-6426220030 [2,0,0,0,0,0|2,0,0]=4 54 B13R2.9 CCN1C=NC2=C1N=CN=C2Cl MCULE-1515026724 [2,0,0,0,0,0|1,0,0]=3 55 B13R2.9 CCN1N=NC2=C1N=CN=C2Cl MCULE-6748424719 [2,0,0,0,0,0|2,0,0]=4 56 B13R2.9 CCN1N=NC2=C1N=CN=C2N MCULE-8129573335 [2,0,0,0,0,0|1,0,0]=3 57 B13R2.9 CCN1N=NC2=C1N=CN=C2S MCULE-5650784474 [2,0,0,0,0,0|2,0,0]=4 58 B13R2.9 NC1=C2SC=C(C2=NC=N1)CO MCULE-5020624905 [2,0,0,0,0,0|2,0,0]=4 59 B15R1.8265 CC(O)CNC1=NC=NC(=C1N(=O)=O)N MCULE-7367757891 [0,1,1,0,0,0|1,0,1]=4 60 B15R2.4 COC(O)CN1C=NC2=C1C=CC=C2 MCULE-4067486689 [1,1,0,0,0,0|2,0,0]=4 61 B15R2.4 NCC(O)CN1C=NC2=C1C=CC=C2 MCULE-4129666267 [1,1,0,0,0,0|2,0,0]=4 62 B15R2.4 NCC(O)CN1C=NC2=CC=CC=C12 MCULE-5552903994 [1,1,0,0,0,0|2,0,0]=4 63 B15R2.4 NCC(O)CN1C=NC2=CC=CC=C12 MCULE-6153347195 [1,1,0,0,0,0|2,0,0]=4 64 B15R2.993 CC1=NC2=CC=CC=C2N1CC(C)O MCULE-5140076940 [1,1,0,0,0,0|2,0,0]=4 65 B15R2.9410 CC(C)CN1C=CC2=CN=C(N=C12)Cl MCULE-8997015930 [1,1,0,0,0,0|2,0,0]=4 66 B15R2.65 CCCCN1C=NC2=C(N=CN=C12)Cl MCULE-9502278531 [1,1,0,0,0,0|1,0,0]=3 67 B15R2.65 CCCCN1C=NC2=C1N=CN=C2N MCULE-9977877843 [1,1,0,0,0,0|0,0,0]=2 68 B15R2.65 CNCCN1C=NC2=C1N=CN=C2N MCULE-5020846090 [1,1,0,0,0,0|0,0,0]=2 69 B15R2.65 CNCCN1C=NC2=C1N=CN=C2N MCULE-7781870340 [1,1,0,0,0,0|0,0,0]=2 70 B15R2.65 COCCN1C=CC2=C(N=CN=C12)Cl MCULE-5518618293 [1,1,0,0,0,0|2,0,0]=4 71 B15R2.65 N#CCCN1C=NC2=C1N=CN=C2N MCULE-2427809096 [1,1,0,0,0,0|0,0,1]=3 72 B15R2.65 N#CCCN1C=NC2=C1N=CN=C2S MCULE-4965246354 [1,1,0,0,0,0|1,0,1]=4 73 B15R2.65 NC1=C2N=CN(C2=NC=N1)CCCCl MCULE-5347880451 [1,1,0,0,0,0|0,0,0]=2 74 B15R2.65 NCCCN1C=NC2=C1N=CN=C2N MCULE-1347314053 [1,1,0,0,0,0|0,0,0]=2 75 B15R2.65 NCCCN1C=NC2=C1N=CN=C2N MCULE-8513816214 [1,1,0,0,0,0|0,0,0]=2 76 B15R2.10368 NC1=NC2=C(N=CN2CCO)C(=O)N1 MCULE-4203123138 [1,1,0,0,0,0|1,0,1]=4 77 B15R2.25173 CC(C)N1C=NC2=C(N=C(N=C12)Cl)Cl MCULE-1615455595 [0,1,0,0,1,0|2,0,0]=4 78 B15R2.25173 CC(C)N1C=NC2=C(N=C(N=C12)F)Cl MCULE-7841074470 [0,1,0,0,1,0|2,0,0]=4 79 B15R2.25173 CC(C)N1C=NC2=C1N=C(N=C2Cl)I MCULE-3219011520 [0,1,0,0,1,0|2,0,0]=4 80 B17R2.37147 NC1=NC=NC2=C1N=CN2CC(N)C(=O)O MCULE-7184019968 [0,1,0,0,0,1|1,0,1]=4 81 B17R2.171 CCOC(=O)CN1C=NC2=C(N=CN=C12)N MCULE-6082234210 [0,2,0,0,0,0|0,0,2]=4 82 B17R2.351703 NC1=NC=NC2=C1N=C(N2CC(O)CO)Br MCULE-9507586118 [0,2,0,0,0,0|0,0,0]=2 83 B17R2.351703 NC1=NC=NC2=C1N=C(N2CC(O)CO)S MCULE-9103587179 [0,2,0,0,0,0|0,0,0]=2 84 B17R2.2475 CCC(C(=O)O)N1C=NC2=C1N=CN=C2N MCULE-1443542890 [0,2,0,0,0,0|1,0,1]=4 85 B17R2.253383 CC1=C(N(C2=C1C(=NC=N2)N)CC(C)C)C MCULE-3914035239 [0,2,0,0,0,0|2,0,0]=4 86 B17R2.139 CN(C)C1=NC=NC2=C1N=CN2CC(=O)O MCULE-2292379254 [0,2,0,0,0,0|1,0,1]=4 87 B15R2.19753 CC(C)CNC1=NC=NC2=C1N=CN2 MCULE-9869968438 [0,0,1,1,0,0|1,0,0]=3 88 B15R2.19753 CC(O)CNC1=NC=NC2=C1N=CN2 MCULE-6384166268 [0,0,1,1,0,0|0,0,0]=2 89 B15R2.19753 O=C(O)CNC1=NC=NC2=C1N=CN2 MCULE-9172421979 [0,0,1,1,0,0|1,0,1]=4 90 B15R2.1660 CC(O)CNC1=NC2=C(N1)C=CC=C2 MCULE-9840766136 [0,0,1,1,0,0|2,0,0]=4 91 B15R3.15451 ClC1=C2C=CN(C2=NC=N1)C3CC3 MCULE-1764628388 [1,0,0,1,0,0|2,0,0]=4 92 B15R3.15451 ClC1=C2N=NN(C2=NC=N1)C3CC3 MCULE-1021080642 [1,0,0,1,0,0|2,0,0]=4 93 B15R3.15451 ClC1=NC=NC2=C1N=CN2C3CC3 MCULE-8671950113 [1,0,0,1,0,0|1,0,0]=3 94 B17R2.37440 NC1=C2N=CN(C2=NC=N1)CCCC(=O)O MCULE-2265092583 [0,0,0,0,0,2|1,0,1]=4