0 B17R2.143 O=C(CC1=CC=CC=C1)CC2=CC=CC=C2 2617-1-51 [0,0,0,0,0,0|0,0,0]=0 1 B17R2.143 O=S(CC1=CC=CC=C1)CC2=CC=CC=C2 6765-1-01 [0,0,0,0,0,0|1,0,0]=1 2 B17R2.143 S=C(NC1=CC=CC=C1)NC2=CC=CC=C2 7667-1-06 [0,0,0,0,0,0|2,1,0]=3 3 B17R2.143 S=C(NC1=CC=CC=C1)NC2=CC=CC=N2 7H67-1-04 [0,0,0,0,0,0|3,1,0]=4 4 B16R2.2256 C1=CC=C(CCCC2=CC=NC=C2)C=C1 3H32-1-MU [1,0,0,0,0,0|1,0,1]=3 5 B16R2.2256 C1=CC=C(CNCC2=CC=CC=C2)C=C1 3731-1-05 [1,0,0,0,0,0|1,0,0]=2 6 B16R2.2256 C1=CC=C(CNCC2=CC=CN=C2)N=C1 3H32-1-U1 [1,0,0,0,0,0|3,0,0]=4 7 B16R2.2256 C1=CC=C(SCSC2=CC=CC=C2)C=C1 6166-1-X1 [1,0,0,0,0,0|2,0,1]=4 8 B16R2.2256 C1=CC=C(\N=N\NC2=CC=CC=C2)C=C1 3639-1-04 [1,0,0,0,0,0|3,0,0]=4 9 B18R2.199 O=CN(CC1=CC=CC=C1)CC2=CC=CC=C2 4648-1-74 [0,1,0,0,0,0|1,0,0]=2 10 B18R2.266 S=C(NC1=CC=CC=C1)NC2=CC=C(Cl)C=C2 7667-5-05 [0,1,0,0,0,0|2,1,0]=4 11 B18R2.3983 S=C(NC1=CC=CC=C1)NC2=CC=CC=C2Cl 7667-5-04 [0,1,0,0,0,0|2,1,0]=4 12 B18R2.32233 O=P(O)(OC1=CC=CC=C1)OC2=CC=CC=C2 6675-1-X1 [0,1,0,0,0,0|3,0,0]=4 13 B18R3.182 O=C1CC2=C(C=CC=C2)N1C3=CC=CC=C3 4H48-1-F7 [0,0,0,1,0,0|1,0,0]=2 14 B18R3.2007 O=C1C(C2=CC=CC=C2)=C1C3=CC=CC=C3 3917-1-X0 [0,0,0,1,0,0|0,0,2]=3 15 B16R2.88 O=C(CC1=CC=NC=N1)C2=CC=CC=C2 4H17-1-Y5 [0,0,0,0,1,0|2,0,0]=3 16 B16R2.88 O=C(NC1=CC=CC=C1)C2=CC=CC=C2 4648-1-22 [0,0,0,0,1,0|1,0,0]=2 17 B16R2.88 O=C(NC1=CC=CC=C1)C2=CN=CC=C2 4H48-1-01U [0,0,0,0,1,0|2,0,0]=3 18 B16R2.88 O=C(NC1=CC=NC=C1)C2=CC=CC=C2 4H48-1-F1 [0,0,0,0,1,0|2,0,0]=3 19 B16R2.88 [O-]\[N+](=N/C1=CC=CC=C1)C2=CC=CC=C2 4H52-1-01 [0,0,0,0,1,0|2,0,1]=4 20 B18R2.2429 S=C(NCC1=CC=CC=C1)NC2=CC=CC=C2 7767-1-05 [0,0,0,0,0,1|1,1,0]=3 21 B17R2.2342 C[C@@H](NCC1=CC=CC=C1)C2=CC=CC=C2 3631-1-R0 [1,1,0,0,0,0|1,0,0]=3 22 B17R2.2342 O=C(NCC1=CC=CC=C1)C2=CC=CC=C2 4648-1-Y6 [1,1,0,0,0,0|1,0,1]=4 23 B17R2.2342 O=C(\C=C\C1=CC=CC=C1)C2=CC=CC=C2 2917-1-0K [1,1,0,0,0,0|0,0,2]=4 24 B17R2.192 O=C(CC1=CC=CC=C1)C2=CC=C(Cl)C=C2 2717-5-06 [0,1,0,0,1,0|0,0,0]=2 25 B17R2.192 O=C(NC1=CC=CC=C1)C2=CC=C(Br)C=C2 4648-9-19 [0,1,0,0,1,0|1,0,0]=3 26 B17R2.3417 NC1=CC=CC=C1C(=O)NC2=CC=CC=C2 4648-1-30 [0,1,0,0,1,0|1,0,0]=3 27 B17R2.3417 NC1=CC=CC=C1C(=O)NC2=CC=CN=C2 4H48-1-LP [0,1,0,0,1,0|2,0,0]=4 28 B17R2.3417 NC1=CC=CC=C1C(=O)OC2=CC=CC=C2 4658-1-11 [0,1,0,0,1,0|1,0,0]=3 29 B17R2.3417 O=C(OC1=CC=CC=C1)C2=CC=CC=C2O 2629-1-Y1 [0,1,0,0,1,0|1,0,0]=3 30 B17R2.5273 O=C(NC1=CC=CC=C1)C2=CC(O)=CC=C2 4648-1-12 [0,1,0,0,1,0|1,0,0]=3 31 B17R2.5293 NC1=CC=CC(NC(=O)C2=CC=CC=C2)=C1 4648-1-08 [0,1,0,0,1,0|1,0,0]=3 32 B17R2.10205 N[C@@H](C1=CC=CC=C1)[C@@H](N)C2=CC=CC=C2 3630-1-X0 [0,1,0,0,1,0|1,0,1]=4 33 B17R2.10205 N[C@@H](C1=CC=CC=C1)[C@H](O)C2=CC=CC=C2 4656-1-H0 [0,1,0,0,1,0|0,0,2]=4 34 B17R2.10205 N[C@H](C1=CC=CC=C1)[C@H](N)C2=CC=CC=C2 3730-1-W3 [0,1,0,0,1,0|1,0,1]=4 35 B17R2.10205 O=C(C1=CC=CC=C1)N(O)C2=CC=CC=C2 4648-1-75 [0,1,0,0,1,0|1,0,0]=3 36 B19R2.388 OCCN(CC1=CC=CC=C1)CC2=CC=CC=C2 4656-1-6F [0,2,0,0,0,0|1,0,1]=4 37 B19R2.291 O=C(CC1=CC=C(O)C=C1)NC2=CC=C(F)C=C2 4648-3-X2 [0,2,0,0,0,0|1,0,0]=3 38 B19R2.291 O=C(NC1=CC=C(Cl)C=C1)NC2=CC=C(Cl)C=C2 4653-5-X2 [0,2,0,0,0,0|2,0,0]=4 39 B17R3.54615 BrC1=CC2=C(C=CC=C2)C3=C1C=CC=C3 1600-9-X5 [0,0,0,1,1,0|1,0,1]=4 40 B17R3.54615 ClC1=NC2=C(C=CC=C2)C3=C1C=CC=C3 3H32-5-0S [0,0,0,1,1,0|2,0,0]=4 41 B17R3.54615 O=[PH]1OC2=CC=CC=C2C3=CC=CC=C31 6677-1-01 [0,0,0,1,1,0|2,0,0]=4 42 B15R2.2195 C1=CC=C(CCC2=CC=CC=C2)C=C1 1700-1-X4 [1,0,0,0,1,0|0,0,0]=2 43 B15R2.2195 C1=CC=C(SSC2=CC=CC=C2)C=C1 9634-1-X2 [1,0,0,0,1,0|2,0,0]=4 44 B15R2.2195 C1=CC=C(\N=N\C2=CC=CC=C2)C=C1 3640-1-00 [1,0,0,0,1,0|2,0,0]=4 45 B15R2.2226 ClP(C1=CC=CC=C1)C2=CC=CC=C2 5672-5-01 [0,0,0,0,2,0|2,0,0]=4 46 B15R2.2226 N=C(C1=CC=CC=C1)C2=CC=CC=C2 3635-1-01 [0,0,0,0,2,0|1,0,0]=3 47 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 3730-1-X8 [0,0,0,0,2,0|1,0,1]=4 48 B15R2.2226 NN(C1=CC=CC=C1)C2=CC=CC=C2 3639-5-0C [0,0,0,0,2,0|2,0,0]=4 49 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=CC=C2 2617-1-01 [0,0,0,0,2,0|0,0,0]=2 50 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=CC=N2 4H17-1-X2 [0,0,0,0,2,0|1,0,0]=3 51 B15R2.2226 O=S(C1=CC=CC=C1)C2=CC=CC=C2 6665-1-01 [0,0,0,0,2,0|1,0,0]=3 52 B15R2.2226 O=[PH](C1=CC=CC=C1)C2=CC=CC=C2 6674-1-21 [0,0,0,0,2,0|1,0,0]=3 53 B15R2.2226 OC(C1=CC=CC=C1)C2=CC=CC=C2 2602-1-01 [0,0,0,0,2,0|0,0,2]=4 54 B17R2.2382 C1=CC=C(CCNCC2=CC=CC=C2)C=C1 3631-1-0G [1,0,0,0,0,1|0,0,1]=3 55 B17R2.2382 C1=CC=C(\C=C\C=C\C2=CC=CC=C2)C=C1 1900-1-X1 [1,0,0,0,0,1|0,0,2]=4 56 B19R2.8900 S=C(NCCC1=CC=CC=C1)NC2=CC=CC=C2 7767-1-29 [0,0,0,0,0,2|1,1,0]=4 57 B19R2.16162 O=C(\N=N\C1=CC=CC=C1)NNC2=CC=CC=C2 4642-1-05 [0,0,0,0,0,2|2,0,0]=4