0 B14R2.6 C1=CC=C(C=C1)OC2=CC=CC=N2 78510 [0,0,0,0,0,0|1,0,0]=1 1 B15R2.29 C1=CC=C(C=C1)CN2C=CC(=O)C=C2 12237889 [0,1,0,0,0,0|2,0,0]=3 2 B15R2.29 C1=CC=C(C=C1)NC2=NN=C(C=C2)Cl 6401740 [0,1,0,0,0,0|3,0,0]=4 3 B15R2.29 C1=CC=C(C=C1)SC2=NC=C(C=C2)N 699576 [0,1,0,0,0,0|1,1,0]=3 4 B15R2.29 C1=CC=NC(=C1)CC2=CC=C(C=C2)N 16192621 [0,1,0,0,0,0|2,0,0]=3 5 B15R2.31 C1=CC(=CC(=C1)OC2=NC=CN=C2)N 3768740 [0,1,0,0,0,0|2,0,0]=3 6 B15R2.38 C1=CC=C(C=C1)SC2=C(C=CC=N2)N 819361 [0,1,0,0,0,0|1,1,0]=3 7 B15R2.2226 C1=CC=C(C=C1)C(C2=CC=NC=C2)O 98305 [0,1,0,0,0,0|2,0,0]=3 8 B15R2.2226 C1=CC=C(C=C1)S(=O)C2=CC=CC=C2 13679 [0,1,0,0,0,0|0,1,0]=2 9 B15R3.3 C1=CN=CC2=C1NC3=C2C=NC=C3 290269 [0,0,0,1,0,0|3,0,0]=4 10 B13R2.3 C1=CC=C(C=C1)C2=NC=NC=C2 18923 [0,0,0,0,1,0|2,0,0]=3 11 B13R2.3 C1=CC=NC(=C1)C2=CN=CN=C2 11126521 [0,0,0,0,1,0|3,0,0]=4 12 B15R2.2195 C1=CC(=CN=C1)C=CC2=CC=NC=C2 84652 [0,0,0,0,0,1|3,0,0]=4 13 B15R2.2195 C1=CC=C(C=C1)CCC2=CC=CC=N2 75028 [0,0,0,0,0,1|2,0,0]=3 14 B15R2.2195 C1=CC=C(C=C1)CCC2=CN=CC=C2 238337 [0,0,0,0,0,1|2,0,0]=3 15 B15R2.2195 C1=CC=C(C=C1)CNC2=CC=CC=[NH+]2 2830234 [0,0,0,0,0,1|2,0,0]=3 16 B15R2.2195 C1=CC=C(C=C1)CNC2=CN=CC=C2 279908 [0,0,0,0,0,1|2,0,0]=3 17 B15R2.2195 C1=CN=CC=C1\C=C\C2=CC=NC=C2 776222 [0,0,0,0,0,1|3,0,0]=4 18 B14R2.68 C1=CC=C(C=C1)C2=CN=C(C=C2)Cl 2762868 [0,1,0,0,1,0|1,0,0]=3 19 B14R2.68 C1=CC=C(C=C1)C2=NOC(=O)C=C2 2802287 [0,1,0,0,1,0|2,0,0]=4 20 B14R2.114 C1=CC=C(C=C1)C(C2=CC=CS2)N 335612 [0,1,0,0,1,0|2,0,0]=4 21 B16R2.71 C1=CC=C(C=C1)CCC2=C(C=CC=N2)O 16192553 [0,1,0,0,0,1|2,0,0]=4 22 B16R2.71 C1=CC=C(C=C1)COC2=CN=CNC2=O 262482 [0,1,0,0,0,1|2,0,0]=4 23 B16R2.71 C1=CC=C(C=C1)CSC2=C(C=CC=[NH+]2)O 24892257 [0,1,0,0,0,1|1,1,0]=4 24 B16R2.88 C1=CC=C(C=C1)C(CC2=CN=CC=C2)O 238338 [0,1,0,0,0,1|2,0,0]=4 25 B16R2.88 C1=CC=C(C=C1)CS(=O)C2=CC=CC=C2 239581 [0,1,0,0,0,1|0,1,0]=3 26 B16R2.88 C1=CC=C(C=C1)\C=[N+](\C2=CC=CC=C2)/[O-] 3036381 [0,1,0,0,0,1|1,0,0]=3 27 B16R2.132 C1=CC=NC(=C1)CCC2=CC=C(C=C2)N 233289 [0,1,0,0,0,1|2,0,0]=4 28 B16R2.252 CC1=NC(=CC=C1)OCC2=CC=CC=C2 261829 [0,1,0,0,0,1|1,0,0]=3 29 B16R2.2 C1=CN=C(N=C1)OC2=CC=C(C=C2)C#N 901072 [0,2,0,0,0,0|2,0,0]=4 30 B16R2.120 C1=CC(=CC=C1C(C2=CC=NC=C2)N)Cl 56603499 [0,2,0,0,0,0|2,0,0]=4 31 B16R2.312 C1=CC(=C(C=C1Cl)N)NC2=CC=NC=C2 2815904 [0,2,0,0,0,0|2,0,0]=4 32 B16R2.312 C1=CC=C(C=C1)OC2=CNC(=S)NC2=O 3538011 [0,2,0,0,0,0|2,0,0]=4 33 B16R2.312 C1=CN=C(N=C1)OC2=C(C=C(C=C2)F)F 610284 [0,2,0,0,0,0|2,0,0]=4 34 B16R2.312 C1=CN=C(N=C1)OC2=C(C=C(C=C2)N)Cl 2763770 [0,2,0,0,0,0|2,0,0]=4 35 B16R2.1129 CC1=CC=C(C=C1)CN2C=CC=CC2=N 16248876 [0,2,0,0,0,0|2,0,0]=4 36 B16R2.23 COC1=NC(=NC=C1)OC2=CC=CC=C2 824706 [0,2,0,0,0,0|2,0,0]=4 37 B16R2.172 C1=CC=C(C=C1)OC2=C(C=CC=N2)C#N 84242 [0,2,0,0,0,0|1,0,0]=3 38 B16R2.3896 C=C(C1=CC=CC=C1)C2=CC=CC=C2N 263735 [0,2,0,0,0,0|1,0,0]=3 39 B16R2.4062 C1=CC=C(C(=C1)CN2C=CC=CC2=O)F 664770 [0,2,0,0,0,0|2,0,0]=4 40 B16R2.4062 CC1=C(N=CC=C1)OC2=C(C=CC=N2)N 901895 [0,2,0,0,0,0|2,0,0]=4 41 B16R2.187 C1=CC=C(C=C1)C(=NN)C2=CC=CC=C2 79304 [0,2,0,0,0,0|1,0,0]=3 42 B14R2.14 C1=CC=C(C=C1)N2C=CC=C2C=O 934729 [0,0,1,1,0,0|2,0,0]=4 43 B14R2.101 C1=CC=C(C=C1)N=CC2=CC=CN2 261905 [0,0,1,1,0,0|2,0,0]=4 44 B16R3.9 C1C2=CC=CC=C2C3=CC=CC=C3N1 219965 [0,0,0,1,0,1|1,0,0]=3 45 B16R3.20606 C1=CC=C2C(=C1)C3=CC=CC=C3C2=N 20500 [0,1,0,1,0,0|1,0,0]=3 46 B16R3.20606 C1=CC=C2C(=C1)C3=CC=CC=C3S2=O 13898 [0,1,0,1,0,0|0,1,0]=3 47 B12R2.2 C1=CC=NC(=C1)C2=CC=CS2 76832 [0,0,0,0,2,0|2,0,0]=4