0 B12R1.308 CCOC(=O)C1=CC=NC=C1C 8767AB [0,0,0,0,0,0|2,0,0]=2 1 B12R1.308 O=C(\C=N\O)C1=CC=CC=C1Cl 9208AJ [0,0,0,0,0,0|4,0,0]=4 2 B11R1.16 CNCC(=O)C1=CC=CC=C1 1268AJ [1,0,0,0,0,0|2,0,0]=3 3 B11R1.16 CNCC(=O)C1=CC=CC=C1 1806AJ [1,0,0,0,0,0|2,0,0]=3 4 B11R1.17 O=C\C=C\C1=CC=CC=C1O W2100 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.222 O=C(CBr)C1=NC=CC=C1F 1583AJ [1,0,0,0,0,0|3,0,0]=4 6 B13R1.446 CCOC(=O)C1=C(O)C=CC(C)=C1 4096AB [0,1,0,0,0,0|0,0,0]=1 7 B13R1.446 CCOC(=O)C1=CC(Cl)=NC=C1N 3480AC [0,1,0,0,0,0|2,0,0]=3 8 B13R1.464 C#CC1=CC=CC=C1C(=O)OCC X5373 [0,1,0,0,0,0|1,0,0]=2 9 B13R1.464 CCOC(=O)C1=C(C=O)C=CC=N1 5076AD [0,1,0,0,0,0|1,0,1]=3 10 B13R1.674 C=CCOC(=O)C1=C(O)C=CC=C1 Z6077 [0,1,0,0,0,0|0,0,1]=2 11 B13R1.1511 CCOC(=O)C1=CC=C(Cl)N=C1Br 3882AA [0,1,0,0,0,0|2,0,0]=3 12 B13R2.1 ClCCC1=NOC2=C1C=CC=C2 9597AH [0,0,0,1,0,0|3,0,0]=4 13 B13R2.1 NCCC1=NOC2=C1C=CC=C2 1242AJ [0,0,0,1,0,0|3,0,0]=4 14 B13R2.18 BrC1=CC=CC=C1C2=NCCO2 Y6268 [0,0,0,1,0,0|2,0,0]=3 15 B13R2.4818 O=C1C=COC2=C1C(O)=CC=C2 Y8984 [0,0,0,1,0,0|2,0,1]=4 16 B10R1.15 NCC(=O)C1=CC=CC=C1 L191 [2,0,0,0,0,0|1,0,0]=3 17 B10R1.17 CC\C=C\C1=NC=CC=C1 Y6363 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.17 CO\C=C\C1=CC=CC=C1 6472AB [2,0,0,0,0,0|2,0,0]=4 19 B10R1.4 CCOC1=C(Br)C=CN=C1 5580AH [2,0,0,0,0,0|2,0,0]=4 20 B10R1.4 CCOC1=CC=CC=C1S I213 [2,0,0,0,0,0|0,1,0]=3 21 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 Y2027 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.61 NC1=CC=NC=C1C(=O)O Y7102 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.61 O=C(O)C1=C(F)C=CN=C1 7628AA [2,0,0,0,0,0|2,0,0]=4 24 B10R1.61 O=C([O-])C1=CC=CC=C1O M628 [2,0,0,0,0,0|0,0,1]=3 25 B10R1.61 O=C([O-])C1=CC=CC=C1O W0024 [2,0,0,0,0,0|0,0,1]=3 26 B12R1.16 CCOC(=O)C1=NC=C(N)N=C1 3084AJ [1,1,0,0,0,0|2,0,0]=4 27 B12R1.17 CCOC(=O)C1=NC(O)=CC=C1 7589AB [1,1,0,0,0,0|1,0,0]=3 28 B12R1.17 CCOC(=O)C1=NC=CC(Br)=N1 6637AA [1,1,0,0,0,0|2,0,0]=4 29 B12R1.17 CNCC(=O)C1=CC(F)=CC=C1 5553AC [1,1,0,0,0,0|2,0,0]=4 30 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 4658AA [1,1,0,0,0,0|2,0,0]=4 31 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 Y1218 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.30 N#CCNC(=O)C1=CC=CC=C1 B186 [1,1,0,0,0,0|1,0,1]=4 33 B12R1.30 NCCNC(=O)C1=CC=CC=C1 0754AP [1,1,0,0,0,0|1,0,0]=3 34 B12R1.30 NCCNC(=O)C1=CC=NC=C1 5909AD [1,1,0,0,0,0|2,0,0]=4 35 B12R1.107 CC(C)OC(=O)C1=CN=CC=C1 U511 [1,1,0,0,0,0|1,0,0]=3 36 B12R1.267 NCCOCC1=CC=CC=C1Cl 7563AE [1,1,0,0,0,0|1,0,1]=4 37 B12R1.77 N#CC1=C(C(=O)CBr)C=CC=C1 X2068 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.354 COC(=O)C1=C(F)N=CC(Cl)=C1 Y3826 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.1703 NCC(=O)C1=CC=C(F)C=C1F L158 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.1703 O=C(NO)C1=CC=C(Cl)C=C1O 6760AE [1,1,0,0,0,0|2,0,0]=4 41 B12R1.3441 COC(=O)C1=[N+]([O-])C=CC=C1C 2335AJ [1,1,0,0,0,0|1,0,1]=4 42 B12R1.1579 CCOC(=O)C1=C(O)N(C)N=C1 X6615 [0,1,0,0,1,0|2,0,0]=4 43 B14R1.17 CCOC(=O)CC1=CC=CC(Cl)=C1Cl Y6555 [0,1,0,0,0,1|1,0,0]=3 44 B14R1.6823 CCOC(=O)CC1=CC=C(O)C=C1O W2015 [0,1,0,0,0,1|0,0,0]=2 45 B14R1.7281 CCOC(=O)C1=C(Cl)C=CC(Cl)=C1Cl X6583 [0,2,0,0,0,0|1,0,0]=3 46 B14R1.18985 CCOC(=O)C1=CC(Br)=CC(I)=C1C X5453 [0,2,0,0,0,0|1,0,0]=3 47 B14R1.4451 CC(C)(C)OC(=O)C1=C(N)C=CC=C1 9818AB [0,2,0,0,0,0|1,0,0]=3 48 B14R1.7264 CCOC(=O)C1=C(C)NC(=O)C(Br)=C1 Y1527 [0,2,0,0,0,0|2,0,0]=4 49 B14R1.7264 CCOC(=O)C1=CC(Br)=C(Cl)N=C1C Y1528 [0,2,0,0,0,0|2,0,0]=4 50 B14R1.7264 CCOC(=O)C1=CN(C)C(=O)C=C1Cl 0160AF [0,2,0,0,0,0|2,0,0]=4 51 B14R1.160 CC(C)COC(=O)C1=C(N)C=CC=C1 2195AC [0,2,0,0,0,0|1,0,0]=3 52 B14R1.18811 CCOC(=O)C1=C(C)C=C(O)C=C1C 1671AC [0,2,0,0,0,0|1,0,0]=3 53 B12R2.1081 O=C1CCCC2=C1C=NC=C2 1098AB [1,0,0,1,0,0|2,0,0]=4 54 B12R2.1081 O=C1CNCC2=C1C=CC=C2 1368AJ [1,0,0,1,0,0|2,0,0]=4 55 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O 6525AJ [1,0,0,1,0,0|1,0,1]=4 56 B14R2.8051 O=C1CCC(=O)C2=C1C=CC=C2O Y6335 [0,1,0,1,0,0|1,0,1]=4 57 B14R2.7724 O=C1CC(O)C(O)C2=C1C=CC=C2 9063AB [0,1,0,1,0,0|2,0,0]=4 58 B14R2.7724 O=C1CC(O)C(O)C2=C1C=CC=C2 W1911 [0,1,0,1,0,0|2,0,0]=4 59 B14R2.8719 O=C1CCCNC2=CC(Cl)=CC=C12 2750AA [0,1,0,1,0,0|2,0,0]=4 60 B14R1.598 CCOC(=O)CCC1=CC=CN=C1C 4051AJ [0,0,0,0,0,2|2,0,0]=4 61 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1F Y8815 [0,0,0,0,0,2|1,0,0]=3