0 B18R2.4001 Oc1ccccc1C(=O)/C=C/c2cccnc2 T28206 [0,0,0,0,0,0|2,0,1]=3 1 B18R2.4001 Oc1ccccc1C(=O)C=Cc2ccccc2 TN1163 [0,0,0,0,0,0|1,0,1]=2 2 B17R2.2342 O=C(/C=C/c1ccccc1)c2ccccc2 T2S0961 [1,0,0,0,0,0|1,0,1]=3 3 B17R2.2342 O=C(NNc1ccccc1)c2ccncc2 T1869 [1,0,0,0,0,0|3,0,0]=4 4 B17R2.2342 O=C(OCc1ccccc1)c2ccccc2 T0729 [1,0,0,0,0,0|0,0,0]=1 5 B17R2.2342 O=C(OCc1ccccc1)c2cccnc2 T7713 [1,0,0,0,0,0|1,0,0]=2 6 B17R2.2342 c1ccc(cc1)\C=C\C(=O)c2ccccc2 T3322 [1,0,0,0,0,0|1,0,1]=3 7 B19R2.4531 Oc1ccc(C(=O)C=Cc2ccccc2)c(O)c1 T8829 [0,1,0,0,0,0|1,0,1]=3 8 B19R3.9171 O=C1CC(Oc2ccccc12)c3ccccc3 T0530 [0,0,0,1,0,0|1,0,0]=2 9 B19R3.9171 O=c1cc(oc2ccccc12)-c3ccccc3 T2876 [0,0,0,1,0,0|1,0,1]=3 10 B17R2.3417 Ic1ccccc1C(=O)Nc2ccccc2 T3601 [0,0,0,0,1,0|2,0,0]=3 11 B17R2.3417 Nc1ccccc1C(=O)Nc2ccccc2 T19097 [0,0,0,0,1,0|2,0,0]=3 12 B17R2.3417 Oc1ccccc1C(=O)Nc2ccccc2 T0753 [0,0,0,0,1,0|1,0,0]=2 13 B17R2.3417 Oc1ccccc1C(=O)Oc2ccccc2 T20250 [0,0,0,0,1,0|0,0,0]=1 14 B16R2.2256 C(NCc1ccccc1)c2ccccc2 T20423 [2,0,0,0,0,0|1,0,1]=4 15 B18R2.253 C[n+]1ccc(cc1)C(=O)NCc2ccccc2 T31628 [1,1,0,0,0,0|2,0,0]=4 16 B18R2.253 Oc1ccc(cc1)C(=O)/C=C/c2ccccc2 T7917 [1,1,0,0,0,0|1,0,1]=4 17 B18R2.257 Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 T3005 [1,1,0,0,0,0|1,0,1]=4 18 B18R2.3634 C/C(=C\C(=O)c1ccccc1)c2ccccc2 T31589 [1,1,0,0,0,0|1,0,1]=4 19 B18R2.3990 Oc1ccccc1/C=C/C(=O)c2ccccc2 T7979 [1,1,0,0,0,0|1,0,1]=4 20 B18R2.6463 Ic1cccc(c1)C(=O)NNc2ccccc2 T30403 [1,1,0,0,0,0|2,0,0]=4 21 B18R2.9218 Nc1ccccc1C(=O)Nc2ccc(Cl)cc2 T27066 [0,1,0,0,1,0|2,0,0]=4 22 B18R2.9218 Oc1ccc(NC(=O)c2ccccc2O)cc1 T0353 [0,1,0,0,1,0|1,0,0]=3 23 B20R2.156303 Cc1ccc(O)c(NC(=O)CCc2ccccc2)c1 T14080 [0,1,0,0,0,1|1,0,0]=3 24 B20R2.74830 Oc1ccccc1C(=O)NN/C=C2/C=CC=CC2=O T23339 [0,1,0,0,0,1|1,0,1]=4 25 B20R2.10746 OC(=O)c1ccccc1C(=O)OCc2ccccc2 T0601 [0,2,0,0,0,0|0,0,0]=2 26 B20R2.15570 Oc1ccc(/C=C/C(=O)c2ccc(O)cc2O)cc1 T0725 [0,2,0,0,0,0|1,0,1]=4 27 B20R2.23087 Oc1cc(O)c(C(=O)C=Cc2ccccc2)c(O)c1 TN2078 [0,2,0,0,0,0|1,0,1]=4 28 B20R2.42468 COc1ccccc1/C=C/C(=O)c2ccccc2O T7432 [0,2,0,0,0,0|1,0,1]=4 29 B18R3.111 O=c1n([se]c2ccccc12)-c3ccccc3 T0825 [0,0,0,1,1,0|1,1,0]=4 30 B18R3.47120 Oc1ccccc1-c2nc3ccccc3[nH]2 T9152 [0,0,0,1,1,0|2,0,0]=4 31 B18R3.92719 O=C1Cc2ccccc2Nc3ccccc13 T20942 [0,0,0,1,1,0|1,0,0]=3 32 B20R3.30190 C(Oc1ccc2ccccc2c1)c3ccccc3 T20307 [0,0,0,1,0,1|2,0,0]=4 33 B20R3.96524 Clc1c(oc2ccccc2c1=O)-c3ccccc3 T33502 [0,1,0,1,0,0|1,0,1]=4 34 B20R3.96524 Oc1c(oc2ccccc2c1=O)-c3ccccc3 T2910 [0,1,0,1,0,0|1,0,1]=4 35 B20R3.277426 Oc1ccc2C(=O)CC(Oc2c1)c3ccccc3 T7999 [0,1,0,1,0,0|1,0,0]=3 36 B20R3.277426 Oc1ccc2c(c1)oc(cc2=O)-c3ccccc3 T7472 [0,1,0,1,0,0|1,0,1]=4 37 B20R3.263189 Cc1ccc2oc(cc(=O)c2c1)-c3ccccc3 T8036 [0,1,0,1,0,0|1,0,1]=4 38 B20R3.263189 Oc1ccc2OC(CC(=O)c2c1)c3ccccc3 TN1308 [0,1,0,1,0,0|1,0,0]=3 39 B20R3.263189 Oc1ccc2oc(cc(=O)c2c1)-c3ccccc3 T2940 [0,1,0,1,0,0|1,0,1]=4 40 B20R3.5740 Oc1ccccc1C2CC(=O)c3ccccc3O2 T7984 [0,1,0,1,0,0|1,0,0]=3 41 B20R3.247868 Oc1cccc2oc(cc(=O)c12)-c3ccccc3 T8190 [0,1,0,1,0,0|1,0,1]=4 42 B20R3.19283 Oc1ccc(cc1)C2CC(=O)c3ccccc3O2 T7992 [0,1,0,1,0,0|1,0,0]=3 43 B20R3.23854 N/N=C1/CC(Oc2ccccc12)c3ccccc3 T11294 [0,1,0,1,0,0|2,0,0]=4 44 B16R2.88 O=C(Cc1ccccc1)c2ccccc2 T20347 [1,0,0,0,1,0|0,0,0]=2 45 B16R2.88 O=C(Oc1ccccc1)c2ccccc2 T5651 [1,0,0,0,1,0|0,0,0]=2 46 B16R2.88 O=C(Oc1ccccc1)c2cccnc2 T34017 [1,0,0,0,1,0|1,0,0]=3 47 B16R2.2238 O=C(CCc1ccccc1)n2cccc2 TN2980 [1,0,0,0,1,0|2,0,0]=4 48 B16R2.71 Oc1ccccc1NCc2ccccn2 T7490 [1,0,0,0,1,0|2,0,0]=4 49 B16R2.3896 Cc1ccccc1C(=O)c2ccccc2 T20361 [0,0,0,0,2,0|1,0,0]=3 50 B16R2.3896 Clc1ccccc1C(=O)c2ccccc2 T0633 [0,0,0,0,2,0|1,0,0]=3 51 B18R2.7189 O=C(NCCc1ccccc1)c2ccccc2 TN7045 [1,0,0,0,0,1|1,0,0]=3