0 B15R2.2226 C1=CC=C(C=C1)C(C2=CC=NC=C2)O 98305 [0,0,0,0,0,0|1,0,2]=3 1 B15R2.2226 C1=CC=C(C=C1)S(=O)C2=CC=CC=C2 13679 [0,0,0,0,0,0|1,0,0]=1 2 B14R2.6 C1=CC=C(C=C1)OC2=CC=CC=N2 78510 [1,0,0,0,0,0|2,0,0]=3 3 B16R2.120 C1=CC(=CC=C1C(C2=CC=NC=C2)N)Cl 56603499 [0,1,0,0,0,0|2,0,1]=4 4 B16R2.187 C1=CC=C(C=C1)C(=NN)C2=CC=CC=C2 79304 [0,1,0,0,0,0|1,0,0]=2 5 B16R2.3896 C=C(C1=CC=CC=C1)C2=CC=CC=C2N 263735 [0,1,0,0,0,0|1,0,0]=2 6 B16R3.20606 C1=CC=C2C(=C1)C3=CC=CC=C3C2=N 20500 [0,0,0,1,0,0|1,0,0]=2 7 B16R3.20606 C1=CC=C2C(=C1)C3=CC=CC=C3S2=O 13898 [0,0,0,1,0,0|1,0,0]=2 8 B14R2.114 C1=CC=C(C=C1)C(C2=CC=CS2)N 335612 [0,0,0,0,1,0|2,0,1]=4 9 B16R2.88 C1=CC=C(C=C1)C(CC2=CN=CC=C2)O 238338 [0,0,0,0,0,1|1,0,2]=4 10 B16R2.88 C1=CC=C(C=C1)CS(=O)C2=CC=CC=C2 239581 [0,0,0,0,0,1|1,0,0]=2 11 B16R2.88 C1=CC=C(C=C1)\C=[N+](\C2=CC=CC=C2)/[O-] 3036381 [0,0,0,0,0,1|1,0,1]=3 12 B16R2.88 C1=CC=NC(=C1)NC(=O)C2=CN=CC=C2 83187 [0,0,0,0,0,1|2,0,0]=3 13 B15R2.29 C1=CC=C(C=C1)CN2C=CC(=O)C=C2 12237889 [1,1,0,0,0,0|1,0,1]=4 14 B15R2.29 C1=CC=C(C=C1)SC2=NC=C(C=C2)N 699576 [1,1,0,0,0,0|2,0,0]=4 15 B15R2.29 C1=CC=NC(=C1)CC2=CC=C(C=C2)N 16192621 [1,1,0,0,0,0|1,0,1]=4 16 B15R2.38 C1=CC=C(C=C1)SC2=C(C=CC=N2)N 819361 [1,1,0,0,0,0|2,0,0]=4 17 B17R2.162 C1=CC=C(C=C1)C(=NC2=CC=CC=C2)C#N 231999 [0,1,0,0,0,1|1,0,0]=3 18 B17R2.162 C1=CC=C(C=C1)C=C(C=O)C2=CC=CC=C2 139550 [0,1,0,0,0,1|0,0,0]=2 19 B17R2.162 C1=CC=C(C=C1)\C(=N/O)\CC2=CC=CC=N2 5718849 [0,1,0,0,0,1|1,0,1]=4 20 B17R2.192 C1=CC(=CC=C1C(=O)NC2=CC=NC=C2)Cl 689742 [0,1,0,0,0,1|1,0,0]=3 21 B17R2.192 C1=CC=C(C=C1)NC(=O)C2=NNC(=O)C=C2 939759 [0,1,0,0,0,1|2,0,0]=4 22 B17R2.209 C1=CC=C(C=C1)C(=O)OC2=NNC(=O)C=C2 303007 [0,1,0,0,0,1|2,0,0]=4 23 B17R2.3417 C1=CC=C(C(=C1)C(=O)NC2=CN=CC=C2)F 677046 [0,1,0,0,0,1|1,0,0]=3 24 B17R2.3426 C1=CC=C(C=C1)C(=O)OC2=CC=CNC2=O 320594 [0,1,0,0,0,1|1,0,0]=3 25 B17R2.3426 CC1=CC=CC=C1OC(=O)C2=CN=CC=C2 829373 [0,1,0,0,0,1|1,0,0]=3 26 B17R2.3426 CC1=CC=CC=[N+]1CC(=O)C2=CC=CC=C2 12316824 [0,1,0,0,0,1|1,0,0]=3 27 B17R2.5273 C1=CC(=CC(=C1)Cl)C(=O)NC2=NC=CC=N2 1201556 [0,1,0,0,0,1|2,0,0]=4 28 B17R2.5273 C1=CC(=CC(=C1)F)C(=O)NC2=CN=CC=C2 773637 [0,1,0,0,0,1|1,0,0]=3 29 B17R2.5293 C1=CC(=CC(=C1)F)NC(=O)C2=CN=CC=C2 669130 [0,1,0,0,0,1|1,0,0]=3 30 B17R2.5293 C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC(=C2)N 2831569 [0,1,0,0,0,1|1,0,0]=3 31 B17R2.5293 CC1=CC(=CC=C1)OC(=O)C2=CN=CC=C2 532681 [0,1,0,0,0,1|1,0,0]=3 32 B17R2.5293 C[N+]1=CC=CC(=C1)NC(=O)C2=CC=CC=C2 435107 [0,1,0,0,0,1|1,0,0]=3 33 B17R2.20249 C1=CC=C(C=C1)CP(=O)(C2=CC=CC=C2)O 279489 [0,1,0,0,0,1|1,0,0]=3 34 B17R2.20249 C1=CC=C(C=C1)OP(=O)(C2=CC=CC=C2)N 230484 [0,1,0,0,0,1|1,0,0]=3 35 B17R2.191 C1=CC(=CC(=C1)O)C(=O)C2=CC=C(C=C2)Cl 268937 [0,2,0,0,0,0|0,0,0]=2 36 B17R2.203 C1=CC=C(C=C1)S(=O)(=O)C2=NC=C(C=C2)N 3485992 [0,2,0,0,0,0|2,0,0]=4 37 B17R2.5711 C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O 8333 [0,2,0,0,0,0|0,0,1]=3 38 B17R2.3434 C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2O)O 659558 [0,2,0,0,0,0|1,0,0]=3 39 B17R2.3434 C1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC=N2)N 1477597 [0,2,0,0,0,0|2,0,0]=4 40 B17R3.182920 C1=CC=C2C(=C1)C3=CC=CC=C3N2CO 75480 [0,1,0,1,0,0|1,0,1]=4 41 B17R3.31819 CC1=CC2=C(C3=CC=CC=C3C2=O)N=C1 928398 [0,1,0,1,0,0|1,0,0]=3 42 B17R3.35227 C1=CC=C2C(=C1)OC3=CC=CC=C3S2=O 70360 [0,1,0,1,0,0|1,0,0]=3 43 B13R2.3 C1=CC=C(C=C1)C2=NC=NC=C2 18923 [1,0,0,0,1,0|2,0,0]=4 44 B15R2.2195 C1=CC(=CN=C1)C=CC2=CC=NC=C2 84652 [1,0,0,0,0,1|2,0,0]=4 45 B15R2.2195 C1=CC=C(C=C1)CCC2=CC=CC=N2 75028 [1,0,0,0,0,1|1,0,1]=4 46 B15R2.2195 C1=CC=C(C=C1)CCC2=CN=CC=C2 238337 [1,0,0,0,0,1|1,0,1]=4 47 B15R2.2195 C1=CC=C(C=C1)CNC2=CC=CC=[NH+]2 2830234 [1,0,0,0,0,1|1,0,1]=4 48 B15R2.2195 C1=CC=C(C=C1)CNC2=CN=CC=C2 279908 [1,0,0,0,0,1|1,0,1]=4 49 B15R2.2195 C1=CN=CC=C1\C=C\C2=CC=NC=C2 776222 [1,0,0,0,0,1|2,0,0]=4 50 B17R2.143 C1=CC=C(C=C1)CC(=O)NC2=NC=CC=N2 3423290 [0,0,0,0,0,2|2,0,0]=4 51 B17R2.143 C1=CC=C(C=C1)CC(CC2=CC=CC=C2)N 202208 [0,0,0,0,0,2|1,0,1]=4 52 B17R2.143 C1=CC=C(C=C1)CS(=O)CC2=CC=CC=C2 12116 [0,0,0,0,0,2|1,0,0]=3 53 B17R2.143 C1=CC=C(C=C1)C[P+](=O)CC2=CC=CC=C2 6339579 [0,0,0,0,0,2|1,0,0]=3 54 B17R2.143 C1=CC=C(C=C1)NC(=O)C[N+]2=CC=CC=C2 459590 [0,0,0,0,0,2|1,0,0]=3 55 B17R2.2342 C1=CC=C(C=C1)CNC(=O)C2=C[NH+]=CC=C2 2830228 [0,0,0,0,0,2|1,0,0]=3