0 B17R2.2382 C(=C/c1ccccc1)\C=C\c2ccccc2 PI-29961 [1,0,0,0,0,0|1,0,2]=4 1 B17R2.2382 C(Nc1ccccc1)CNc2ccccc2 PI-30163 [1,0,0,0,0,0|3,0,0]=4 2 B17R2.2382 C1(OCCOC2=CC=CC=C2)=CC=CC=C1 PI-42673 [1,0,0,0,0,0|3,0,0]=4 3 B17R2.2382 C1=CC=C(C=C1)CCCSC2=CC=CC=C2 PI-19408 [1,0,0,0,0,0|2,0,0]=3 4 B17R2.2382 C1=CC=C(C=C1)SCCSC2=CC=CC=C2 PI-22393 [1,0,0,0,0,0|3,0,0]=4 5 B19R2.8898 C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CC=C2 PI-50334 [0,1,0,0,0,0|2,0,1]=4 6 B19R2.8929 C1=CC=C(C=C1)C(=O)CC(=O)NC2=CC=CC=C2 PI-46978 [0,1,0,0,0,0|2,0,1]=4 7 B19R2.8929 C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2 PI-14857 [0,1,0,0,0,0|2,0,1]=4 8 B19R3.17443 Oc1nn(c2c1cccc2)Cc3ccccc3 PI-16191 [0,0,0,1,0,0|2,0,1]=4 9 B17R2.2342 C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2 PI-29053 [0,0,0,0,1,0|0,0,0]=1 10 B17R2.2342 CC(C1=CC=CC=C1)CCC2=CC=CC=C2 PI-42719 [0,0,0,0,1,0|1,0,1]=3 11 B17R2.2342 C[C@H](NCc1ccccc1)c2ccccc2 PI-16660 [0,0,0,0,1,0|2,0,1]=4 12 B17R2.2342 C[C@H](c1ccccc1)NCc2ccccc2 PI-16661 [0,0,0,0,1,0|2,0,1]=4 13 B17R2.2342 O=C(c1ccccc1)NCc2ccccc2 PI-28161 [0,0,0,0,1,0|1,0,0]=2 14 B17R2.2342 O=C(c1cccnc1)OCc2ccccc2 PI-33009 [0,0,0,0,1,0|1,0,0]=2 15 B17R2.2342 O=C(c1ccncc1)NNc2ccccc2 PI-37364 [0,0,0,0,1,0|3,0,0]=4 16 B19R2.8899 C1=CC=C(C=C1)C=CC=CC(=O)C2=CC=CC=C2 PI-29769 [0,0,0,0,0,1|1,0,2]=4 17 B18R2.2429 C1=CC=C(C=C1)CC(=O)OCC2=CC=CC=C2 PI-50430 [1,1,0,0,0,0|0,0,2]=4 18 B18R2.253 Brc1ccc(cc1)C(=O)\C=C\c2ccccc2 PI-22528 [0,1,0,0,1,0|0,0,2]=4 19 B18R2.253 C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)Cl PI-23675 [0,1,0,0,1,0|0,0,2]=4 20 B18R2.253 C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)F PI-29561 [0,1,0,0,1,0|0,0,2]=4 21 B18R2.253 C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)O PI-20754 [0,1,0,0,1,0|0,0,2]=4 22 B18R2.253 C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)O PI-50670 [0,1,0,0,1,0|0,0,0]=2 23 B18R2.257 C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)Cl PI-23674 [0,1,0,0,1,0|0,0,2]=4 24 B18R2.257 C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)F PI-23553 [0,1,0,0,1,0|0,0,2]=4 25 B18R2.3634 CC(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2 PI-19160 [0,1,0,0,1,0|0,0,0]=2 26 B18R2.3990 O=C(c1ccccc1)\C=C\c2ccccc2O PI-20753 [0,1,0,0,1,0|0,0,2]=4 27 B18R2.4001 C1=CC=C(C=C1)CCC(=O)C2=CC=CC=C2O PI-11850 [0,1,0,0,1,0|0,0,0]=2 28 B18R2.4001 C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2N PI-28842 [0,1,0,0,1,0|0,0,0]=2 29 B18R2.4001 O=C(c1ccccc1O)\C=C\c2ccccc2 PI-29094 [0,1,0,0,1,0|0,0,2]=4 30 B20R2.15224 C1=CC(=CC=C1CCNC(=O)C2=CC=C(C=C2)Cl)O PI-34048 [0,2,0,0,0,0|1,0,0]=3 31 B20R2.4645 OC1=CC(C(CN(CC2=CC=CC=C2)C)=O)=CC=C1 PI-41003 [0,2,0,0,0,0|2,0,0]=4 32 B20R2.3654 C1=CC=C(C=C1)C(=O)OCCC2=CC=CC=C2C=O PI-48412 [0,2,0,0,0,0|0,0,0]=2 33 B18R3.2098 C1=CC=C(C=C1)CN2C=CC3=CC=CC=C32 PI-27496 [1,0,0,1,0,0|2,0,0]=4 34 B18R3.2108 c1ccc(cc1)C2NCCc3c2cccc3 PI-17172 [1,0,0,1,0,0|1,0,1]=4 35 B18R3.2108 c1ccc(cc1)[C@@H]2NCCc3c2cccc3 PI-33715 [1,0,0,1,0,0|1,0,1]=4 36 B18R3.2108 c1ccc(cc1)[C@H]2NCCc3c2cccc3 PI-37811 [1,0,0,1,0,0|1,0,1]=4 37 B20R3.82945 C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=O PI-27058 [0,1,0,1,0,0|2,0,0]=4 38 B20R3.1943595 O=C1C(=O)c2c(N1Cc3ccccc3)cccc2 PI-40809 [0,1,0,1,0,0|2,0,0]=4 39 B16R2.2256 C(NCc1ccccc1)c2ccccc2 PI-32640 [1,0,0,0,1,0|1,0,1]=4 40 B16R2.2256 C(Sc1ccccc1)Sc2ccccc2 PI-22394 [1,0,0,0,1,0|1,1,0]=4 41 B16R2.2256 c1ccc(cc1)CCOc2ccccc2 PI-38238 [1,0,0,0,1,0|0,0,0]=2 42 B16R2.88 C1=CC=C(C=C1)C(=NC2=CC=CC=C2)N PI-30167 [0,0,0,0,2,0|2,0,0]=4 43 B16R2.88 C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2 PI-29191 [0,0,0,0,2,0|1,0,0]=3 44 B16R2.88 C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2 PI-50362 [0,0,0,0,2,0|0,0,0]=2 45 B16R2.88 C1=CC=C(C=C1)C(=S)NC2=CC=CC=C2 PI-30818 [0,0,0,0,2,0|1,1,0]=4 46 B16R2.88 C1=CC=C(C=C1)CC(C2=CC=CC=C2)N PI-30389 [0,0,0,0,2,0|1,0,1]=4 47 B16R2.88 C1=CC=C(C=C1)CN(C2=CC=CC=C2)N PI-29707 [0,0,0,0,2,0|2,0,0]=4 48 B16R2.88 C1=CC=C(C=C1)CN(C2=CC=CC=C2)N PI-29767 [0,0,0,0,2,0|2,0,0]=4 49 B16R2.88 C1=CC=C(C=C1)OC(=O)C2=CC=CC=N2 PI-40514 [0,0,0,0,2,0|1,0,0]=3 50 B16R2.88 CN(CC1=CC=CC=C1)C2=CC=CC=C2 PI-31672 [0,0,0,0,2,0|2,0,0]=4 51 B20R2.174735 C1=CC=C(C=C1)CCNC(=S)NCC2=CC=CC=C2 PI-12989 [0,0,0,0,0,2|1,1,0]=4