0 B14R2.112 ClCCC1=NC=C2C=CC=CC2=N1 OR471382 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.57 BrCC1=CC=C2N=CC=CC2=C1 OR471096 [1,0,0,0,0,0|2,0,0]=3 2 B13R2.57 C#CC1=NC2=C(C=CC=C2)C=C1 OR400876 [1,0,0,0,0,0|1,0,2]=4 3 B13R2.57 C=CC1=CC2=C(C=C1)N=CC=C2 OR400834 [1,0,0,0,0,0|1,0,2]=4 4 B13R2.57 C=CC1=CC2=C(C=CC=C2)N=C1 OR400832 [1,0,0,0,0,0|1,0,2]=4 5 B13R2.57 C=CC1=CC2=C(C=CN=C2)C=C1 OR400838 [1,0,0,0,0,0|1,0,2]=4 6 B13R2.57 C=CC1=NC2=CC=CC=C2C=C1 OR9094 [1,0,0,0,0,0|1,0,2]=4 7 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 OR300042 [1,0,0,0,0,0|2,0,0]=3 8 B13R2.57 NCC1=CC=C2N=CC=CC2=C1 OR301111 [1,0,0,0,0,0|2,0,0]=3 9 B13R2.57 NCC1=CC=C2N=CC=NC2=C1 OR350331 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.57 OCC1=CC=C2C=CN=CC2=C1 OR300051 [1,0,0,0,0,0|2,0,0]=3 11 B15R2.352 ClCCCC1=NC=C2C=CC=CC2=N1 OR471381 [0,1,0,0,0,0|3,0,0]=4 12 B15R2.886 CCCC1=CC(N)=C2C=CC=CC2=N1 OR309309 [0,1,0,0,0,0|2,0,0]=3 13 B15R2.1290 CCOC1=CC=C2N=CC=C(Cl)C2=C1 OR307967 [0,1,0,0,0,0|1,0,0]=2 14 B15R2.1290 CCOC1=CC=C2N=CC=C(N)C2=C1 OR307944 [0,1,0,0,0,0|1,0,0]=2 15 B15R2.1290 CCOC1=CC=C2N=CC=C(O)C2=C1 OR309240 [0,1,0,0,0,0|1,0,0]=2 16 B13R1.42 CCOC(=O)C#CC1=CC=CC=C1 OR315228 [0,0,1,0,0,0|1,0,2]=4 17 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 OR25664 [0,0,1,0,0,0|2,0,1]=4 18 B13R1.42 CCOC(=O)\C=C\C1=CC=NC=C1 OR303597 [0,0,1,0,0,0|2,0,0]=3 19 B13R1.42 CCOC(=O)\C=C\C1=CN=CC=C1 OR303585 [0,0,1,0,0,0|2,0,0]=3 20 B13R1.42 CCOC(=O)\C=C\C1=NC=CC=C1 OR303583 [0,0,1,0,0,0|2,0,0]=3 21 B13R1.470 CCOC(=O)CC1=C(F)C=CC=C1 PC7118 [0,0,1,0,0,0|2,0,1]=4 22 B13R2.1 CNCC1=CNC2=C1C=CC=C2 OR6211 [0,0,0,0,1,0|3,0,0]=4 23 B13R2.449 NCCC1=CC2=C(C=C1)NC=C2 OR305596 [0,0,0,0,1,0|3,0,0]=4 24 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 OR350234 [1,0,1,0,0,0|1,0,0]=3 25 B12R2.24 ClC1=CC=C2C=CN=CC2=C1 OR300070 [2,0,0,0,0,0|2,0,0]=4 26 B12R2.24 ClC1=CC=C2C=NC=CC2=C1 OR300089 [2,0,0,0,0,0|2,0,0]=4 27 B12R2.24 FC1=CC2=C(C=C1)C=NC=C2 PC201019 [2,0,0,0,0,0|2,0,0]=4 28 B12R2.24 FC1=CC2=CC=CC=C2C=C1 PC2378 [2,0,0,0,0,0|1,0,0]=3 29 B12R2.24 FC1=CC=C2N=CC=CC2=C1 PC6908 [2,0,0,0,0,0|2,0,0]=4 30 B14R1.3348 CCOC(=O)C(=O)C1=CC=CC=C1Cl OR471193 [0,1,1,0,0,0|2,0,0]=4 31 B14R2.92 FC1=C(CBr)C=CC2=C1C=CC=C2 PC53514 [1,1,0,0,0,0|1,0,0]=3 32 B14R2.92 O=CC1=C(F)C2=CC=CC=C2C=C1 PC5696 [1,1,0,0,0,0|1,0,1]=4 33 B14R2.134 COC1=CC2=CC(Br)=CC=C2C=C1 OR470815 [1,1,0,0,0,0|0,0,0]=2 34 B14R2.134 COC1=CC=C2C=CC(=O)OC2=C1 OR1892 [1,1,0,0,0,0|1,0,0]=3 35 B14R2.134 COC1=CC=C2C=CC(C)=CC2=C1 OR470814 [1,1,0,0,0,0|0,0,0]=2 36 B14R2.134 COC1=CC=C2C=CC(C)=NC2=C1 OR309227 [1,1,0,0,0,0|1,0,0]=3 37 B14R2.134 COC1=CC=C2N=CC(F)=CC2=C1 PC200015 [1,1,0,0,0,0|1,0,0]=3 38 B14R2.142 CCC1=CC=C2N=CC=C(N)C2=C1 OR307945 [1,1,0,0,0,0|1,0,0]=3 39 B14R2.142 CCC1=CC=C2N=CC=C(O)C2=C1 OR309214 [1,1,0,0,0,0|1,0,0]=3 40 B14R2.142 COC1=CC=C2N=CC=C(Br)C2=C1 OR309245 [1,1,0,0,0,0|1,0,0]=3 41 B14R2.142 COC1=CC=C2N=CC=C(C)C2=C1 OR309391 [1,1,0,0,0,0|1,0,0]=3 42 B14R2.142 COC1=CC=C2N=CC=C(O)C2=C1 OR301003 [1,1,0,0,0,0|1,0,0]=3 43 B14R2.142 COC1=NC2=C(C=C1)N=CC=C2Br OR303061 [1,1,0,0,0,0|2,0,0]=4 44 B14R2.142 O=CC1=CC2=C(C=CC=C2Br)C=C1 OR314074 [1,1,0,0,0,0|1,0,1]=4 45 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=N1 OR300098 [1,1,0,0,0,0|1,0,1]=4 46 B14R2.781 CC(=O)C1=CN=C2C=CC=CC2=C1 OR470156 [1,1,0,0,0,0|1,0,1]=4 47 B14R2.781 C[C@H](N)C1=CC2=C(C=C1)C=NC=C2 OR52295 [1,1,0,0,0,0|1,0,0]=3 48 B14R2.781 C[C@H](N)C1=CC2=C(C=CC=C2)C=N1 OR52294 [1,1,0,0,0,0|1,0,0]=3 49 B14R2.1019 O=CC1=CC2=C(C=CC=C2)C(Br)=C1 OR314077 [1,1,0,0,0,0|1,0,1]=4 50 B14R2.1128 CCC1=C(Cl)N=C2C=CC=CC2=N1 OR25841 [1,1,0,0,0,0|2,0,0]=4 51 B14R2.1128 CCC1=CC2=CC=CC=C2N=C1Cl OR309257 [1,1,0,0,0,0|1,0,0]=3 52 B14R2.1128 CCC1=NC2=C(C=CC=C2)NC1=O OR25840 [1,1,0,0,0,0|2,0,0]=4 53 B14R2.1128 N#CC1=C(O)C=C2C=CC=CC2=C1 OR471069 [1,1,0,0,0,0|1,0,1]=4 54 B14R2.1128 OCC1=CC2=CC=CC=C2N=C1Cl OR309269 [1,1,0,0,0,0|2,0,0]=4 55 B14R2.1801 COC1=CC=C2C(=C1)C=CN=C2Cl OR300046 [1,1,0,0,0,0|1,0,0]=3 56 B14R2.1801 COC1=CC=C2C(=O)C=COC2=C1 OR22415 [1,1,0,0,0,0|1,0,0]=3 57 B14R2.1801 FC1=CC=CC2=C1N=CC(CBr)=C2 PC56246 [1,1,0,0,0,0|2,0,0]=4 58 B14R2.2332 COC1=CC2=C(C=C1)C=C(Cl)C=N2 OR303177 [1,1,0,0,0,0|1,0,0]=3 59 B14R2.2332 COC1=CC=C2C=C(N)C=CC2=N1 OR302387 [1,1,0,0,0,0|1,0,0]=3 60 B14R2.2332 COC1=CC=C2OC(=O)C=CC2=C1 OR9101 [1,1,0,0,0,0|1,0,0]=3 61 B14R2.2332 N#CC1=CC2=CC=C(F)C=C2C=C1 PC6244 [1,1,0,0,0,0|1,0,1]=4 62 B14R2.808 CCOC1=C(O)C2=C(C=C1)NC=C2 OR305528 [0,1,0,0,1,0|1,0,0]=3 63 B14R2.1008 FC(F)OC1=CC2=C(C=CN2)C=C1 PC421131 [0,1,0,0,1,0|2,0,0]=4 64 B14R2.6400 CCOC1=CC=C2N=C(S)SC2=C1 OR5168 [0,1,0,0,1,0|2,0,0]=4 65 B16R2.1285 C=CCOC1=CC2=C(C=CC(=O)O2)C=C1 OR351015 [0,2,0,0,0,0|1,0,1]=4 66 B16R2.5347 CNC(=O)CC1=CC2=C(C=CC=C2)C=C1 OR111306 [0,2,0,0,0,0|1,0,1]=4 67 B16R2.5347 COC(=O)CC1=CC=C2C=CC=CC2=C1 OR111126 [0,2,0,0,0,0|1,0,1]=4 68 B16R2.21680 CCCC1=NC2=CC=C(Br)C=C2C(Cl)=C1 OR307870 [0,2,0,0,0,0|2,0,0]=4 69 B16R2.21720 CCCC1=CC(O)=C2C=CC=C(C)C2=N1 OR309304 [0,2,0,0,0,0|2,0,0]=4 70 B16R2.50969 CCOC1=CC=C2N=C(Cl)C(C)=CC2=C1 OR307918 [0,2,0,0,0,0|1,0,0]=3 71 B16R2.28301 CCOC1=CC=C2N=CC=C(NN)C2=C1 OR307973 [0,2,0,0,0,0|1,0,0]=3 72 B16R2.107862 CCOC1=CC2=C(Br)C=C(C)N=C2C=C1 OR309290 [0,2,0,0,0,0|1,0,0]=3 73 B16R2.107862 CCOC1=CC2=C(C=C1)OC(=O)C=C2C OR351048 [0,2,0,0,0,0|1,0,0]=3 74 B16R2.107862 CCOC1=CC=C2N=C(C)C=C(Cl)C2=C1 OR307966 [0,2,0,0,0,0|1,0,0]=3 75 B16R2.33799 COC(=O)C1=CC=C2C=C(Br)C=CC2=C1 OR350229 [0,2,0,0,0,0|2,0,0]=4 76 B16R2.82802 FC(F)(F)CC1=CC2=CC=CC=C2C=C1 PC50095 [0,2,0,0,0,0|2,0,0]=4 77 B14R2.7150 OCCC1=CC=CC2=C1C=CC=C2 OR110133 [0,0,1,1,0,0|2,0,0]=4 78 B14R3.3015 C1=CC2=C(C=CC(C3CC3)=C2)N1 OR305529 [0,0,0,1,1,0|2,0,0]=4 79 B16R3.2754 ClC1=C2CCCC2=NC3=CC=CC=C31 OR322695 [0,1,0,1,0,0|2,0,0]=4 80 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 PC3210 [0,0,1,0,1,0|2,0,0]=4 81 B12R2.32 CCC1=NC2=CC=CC=C2S1 OR110339 [1,0,0,0,1,0|2,0,0]=4 82 B12R2.32 NCC1=CC2=C(C=CC=C2)N1 OR301148 [1,0,0,0,1,0|2,0,0]=4 83 B12R2.44 COC1=CC2=C(C=C1)C=NN2 OR302496 [1,0,0,0,1,0|2,0,0]=4 84 B12R2.44 COC1=CC2=C(C=C1)NN=C2 OR110371 [1,0,0,0,1,0|2,0,0]=4 85 B12R2.44 COC1=CC2=C(C=C1)OC=N2 OR110825 [1,0,0,0,1,0|2,0,0]=4 86 B12R2.44 COC1=CC2=C(C=N1)NC=C2 OR345037 [1,0,0,0,1,0|2,0,0]=4 87 B12R2.44 CSC1=CC=C2NC=CC2=C1 OR313068 [1,0,0,0,1,0|1,1,0]=4 88 B12R2.44 NCC1=CC2=C(C=CN2)C=C1 OR471270 [1,0,0,0,1,0|2,0,0]=4 89 B12R2.44 OCC1=CC2=C(C=C1)OC=C2 OR111567 [1,0,0,0,1,0|2,0,0]=4 90 B12R2.44 OCC1=CC2=C(C=C1)SC=C2 OR400946 [1,0,0,0,1,0|2,0,0]=4