0 B17R2.143 O=C(NC1=NC=CC=C1)NC2=NC=CC=C2 CS16918 [0,0,0,0,0,0|4,0,0]=4 1 B17R2.143 O=C(OC1=NC=CC=C1)OC2=NC=CC=C2 CS20046 [0,0,0,0,0,0|4,0,0]=4 2 B16R2.2256 C1=CC=C(CCOC2=CC=CC=C2)C=C1 CS21740 [1,0,0,0,0,0|1,0,1]=3 3 B16R2.2256 C1=CC=C(CNCC2=CC=CC=C2)C=C1 CS11227 [1,0,0,0,0,0|1,0,0]=2 4 B16R2.2256 C1=CN=C(CNCC2=NC=CC=C2)C=C1 MC106882 [1,0,0,0,0,0|3,0,0]=4 5 B18R2.266 O=C(CC1=CC=CC=C1)NC2=CC=C(I)N=N2 MC106474 [0,1,0,0,0,0|3,0,0]=4 6 B18R2.6478 O=C(Nc1ccccc1)Nc2ccnc(Cl)c2 MC10311 [0,1,0,0,0,0|3,0,0]=4 7 B18R2.7204 CC(OC1=CC=CC=C1)C(O)C2=CC=CC=C2 MC443671 [0,1,0,0,0,0|2,0,1]=4 8 B18R3.182 O=C1NC2=C(C=CC=C2)N1C3=CC=CC=C3 CS16940 [0,0,0,1,0,0|2,0,0]=3 9 B16R2.88 NC(CC1=CC=CC=C1)C2=CC=CC=C2 MC116107 [0,0,0,0,1,0|1,0,1]=3 10 B16R2.88 NC(CC1=CC=CC=C1)C2=CC=CC=C2 MC116108 [0,0,0,0,1,0|1,0,1]=3 11 B16R2.88 O=C(CC1=CC=NC=C1)C2=CC=CC=C2 CS16825 [0,0,0,0,1,0|1,0,0]=2 12 B16R2.88 O=C(NC1=CC=CC=C1)C2=CC=NC=C2 MC106675 [0,0,0,0,1,0|2,0,0]=3 13 B17R2.216 OC1=CC=C(OCCC2=CC=CC=C2)C=C1 MC30302 [1,1,0,0,0,0|1,0,1]=4 14 B17R2.2342 CC(NCC1=CC=CC=C1)C2=CC=CC=C2 CS13837 [1,1,0,0,0,0|1,0,0]=3 15 B17R2.2342 CC(NCC1=CC=CC=C1)C2=CC=CC=C2 CS14243 [1,1,0,0,0,0|1,0,0]=3 16 B17R2.192 O=C(C[N+]1=CC=CC=C1)C2=CC=C(Cl)C=C2 MC116699 [0,1,0,0,1,0|1,0,0]=3 17 B17R2.192 O=C(NC1=CC=CC=C1)C2=CC=C(O)C=C2 MC430328 [0,1,0,0,1,0|1,0,0]=3 18 B17R2.192 O=C(OC1=CC=CC=C1)C2=CC=C(O)C=C2 MC10321 [0,1,0,0,1,0|1,0,0]=3 19 B17R2.209 O=C(CC1=CC=C(Cl)C=C1)C2=CC=CC=C2 MC425676 [0,1,0,0,1,0|0,0,0]=2 20 B17R2.209 O=C(CC1=CC=C(F)C=C1)C2=CC=CC=C2 MC429125 [0,1,0,0,1,0|0,0,0]=2 21 B17R2.209 O=C(OC1=CC=C(Cl)C=C1)C2=CC=CC=C2 MC40016 [0,1,0,0,1,0|1,0,0]=3 22 B17R2.3417 Nc1ccccc1C(=O)Nc2cccnc2 MC431510 [0,1,0,0,1,0|2,0,0]=4 23 B17R2.3417 O=C(CC1=CC=CC=C1)C2=C(O)C=CC=C2 MC100308 [0,1,0,0,1,0|0,0,0]=2 24 B17R2.3417 O=C(NC1=CC=CC=C1)C2=NC=CC=C2I CS12485 [0,1,0,0,1,0|2,0,0]=4 25 B17R2.3417 O=C(OC1=CC=CC=C1)C2=CC=CC=C2O MC34574 [0,1,0,0,1,0|1,0,0]=3 26 B17R2.5273 O=C(CC1=CC=CC=C1)C2=CC(F)=CC=C2 MC429111 [0,1,0,0,1,0|0,0,0]=2 27 B17R2.5273 O=C(NC1=CC=CC=C1)C2=CC(F)=CC=C2 MC427190 [0,1,0,0,1,0|1,0,0]=3 28 B17R2.5293 O=C(CC1=CC(F)=CC=C1)C2=CC=CC=C2 MC430412 [0,1,0,0,1,0|0,0,0]=2 29 B17R2.10205 NC(C1=CC=CC=C1)C(N)C2=CC=CC=C2 MC20320 [0,1,0,0,1,0|1,0,1]=4 30 B17R2.10205 NC(C1=CC=CC=C1)C(N)C2=CC=CC=C2 MC20321 [0,1,0,0,1,0|1,0,1]=4 31 B17R2.10205 NC(C1=CC=CC=C1)C(O)C2=CC=CC=C2 CS12024 [0,1,0,0,1,0|0,0,2]=4 32 B17R2.10205 NC(C1=CC=CC=C1)C(O)C2=CC=CC=C2 CS12025 [0,1,0,0,1,0|0,0,2]=4 33 B17R2.10205 OC(C1=CC=CC=C1)C(O)C2=CC=CC=C2 CS20298 [0,1,0,0,1,0|0,0,2]=4 34 B17R2.10205 [S-]\C(C1=CC=CC=C1)=C(\[S-])C2=CC=CC=C2 MC445733 [0,1,0,0,1,0|0,1,1]=4 35 B19R2.4385 O=C(NC1=NC=CC(I)=C1)OCC2=CC=CC=C2 MC425093 [0,1,0,0,0,1|2,0,0]=4 36 B19R2.4485 O=C(\C=C\C1=CC=CC=C1)NC2=C(F)C=CC=C2 MC105823 [0,1,0,0,0,1|1,0,1]=4 37 B19R2.11857 O=C(CC1=CC=C(O)C=C1)OCC2=CC=CC=C2 MC112360 [0,1,0,0,0,1|0,0,0]=2 38 B17R3.8 C1=CC=C(N2C=CC3=CC=CC=C32)C=C1 CS20785 [1,0,0,1,0,0|1,0,1]=4 39 B17R3.8708 C1=CC=C(C2=NC3=C(C=CC=C3)O2)C=C1 MC442525 [0,0,0,1,1,0|1,0,1]=4 40 B17R3.54615 BrC1=CC2=C(C=CC=C2)C3=CC=CC=C13 MC20693 [0,0,0,1,1,0|1,0,1]=4 41 B19R3.288 O=C1CC2=CC=CC=C2N1CC3=CC=CC=C3 MC107443 [0,0,0,1,0,1|0,0,0]=2 42 B19R3.88146 BrC1=CC=C2CN(CC3=CC=CC=C3)CC2=C1 MC100222 [0,1,0,1,0,0|2,0,0]=4 43 B19R3.88146 BrC1=CC=C2CN(CC3=CC=CC=C3)CC2=C1 MC106434 [0,1,0,1,0,0|2,0,0]=4 44 B19R3.88146 NC1=CC=C2CN(CC3=CC=CC=C3)CC2=C1 MC100223 [0,1,0,1,0,0|2,0,0]=4 45 B15R2.2195 C1=CC=C(SSC2=CC=CC=C2)C=C1 MC40416 [1,0,0,0,1,0|2,0,0]=4 46 B15R2.2226 BrC(C1=CC=CC=C1)C2=CC=CC=C2 MC20802 [0,0,0,0,2,0|1,0,1]=4 47 B15R2.2226 C=C(C1=CC=CC=C1)C2=CC=CC=C2 MC434064 [0,0,0,0,2,0|1,0,0]=3 48 B15R2.2226 CP(c1ccccc1)c2ccccc2 MC444843 [0,0,0,0,2,0|2,0,0]=4 49 B15R2.2226 CP(c1ccccc1)c2ccccc2 MC444930 [0,0,0,0,2,0|2,0,0]=4 50 B15R2.2226 N=C(C1=CC=CC=C1)C2=CC=CC=C2 CS10990 [0,0,0,0,2,0|1,0,0]=3 51 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 CS20006 [0,0,0,0,2,0|1,0,1]=4 52 B15R2.2226 N[NH+](C1=CC=CC=C1)C2=CC=CC=C2 MC20411 [0,0,0,0,2,0|2,0,0]=4 53 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=CC=C2 MC41292 [0,0,0,0,2,0|0,0,0]=2 54 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=CN=C2 CS19945 [0,0,0,0,2,0|1,0,0]=3 55 B15R2.2226 O=C(C1=NC=CC=C1)C2=NC=CC=C2 CS11214 [0,0,0,0,2,0|2,0,0]=4 56 B15R2.2226 O=S(C1=CC=CC=C1)C2=CC=CC=C2 CS11269 [0,0,0,0,2,0|1,0,0]=3 57 B15R2.2226 O=[PH](C1=CC=CC=C1)C2=CC=CC=C2 MC440611 [0,0,0,0,2,0|1,0,0]=3 58 B15R2.2226 OC(C1=CC=CC=C1)C2=CC=CC=C2 CS16259 [0,0,0,0,2,0|0,0,2]=4 59 B17R2.2382 C1=CC=C(OCCOC2=CC=CC=C2)C=C1 MC20103 [1,0,0,0,0,1|1,0,1]=4 60 B19R2.16162 O=C(CSC1=CC=CC=C1)CSC2=CC=CC=C2 MC118927 [0,0,0,0,0,2|0,0,0]=2 61 B19R2.16162 O=C(\C=C\C1=CC=CC=C1)\C=C\C2=CC=CC=C2 CS13105 [0,0,0,0,0,2|0,0,2]=4 62 B19R2.16162 O=C(\C=C\c1ccccc1)\C=C\c2ccccc2 CS14137 [0,0,0,0,0,2|0,0,2]=4 63 B19R2.16162 O=C(\C=C\c1ccccc1)\C=C\c2ccccc2 CS14663 [0,0,0,0,0,2|0,0,2]=4 64 B19R2.16162 O=C(\C=C\c1ccccc1)\C=C\c2ccccc2 CS14761 [0,0,0,0,0,2|0,0,2]=4