0 B12R1.32 CCNC(=S)NC1=CC=CC=C1 8961AD [0,0,0,0,0,0|2,1,0]=3 1 B12R1.32 O=C(CCCl)NC1=CC=CN=C1 5445AE [0,0,0,0,0,0|3,0,0]=3 2 B12R1.32 O=C=NC(=O)OC1=CC=CC=C1 X3604 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.28 CCC\C=C\C1=NC=CC=C1 Y5856 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.28 NOCCOC1=CC=CC=C1 5219AE [1,0,0,0,0,0|2,0,1]=4 5 B11R1.40 O=CC(=O)CC1=CC=CC=C1 X3517 [1,0,0,0,0,0|2,0,1]=4 6 B13R1.19 CNCC(=O)NC1=CC=C(C)C=C1 7365AE [0,1,0,0,0,0|2,0,0]=3 7 B13R1.19 N#CCC(=O)NC1=CC=C(Cl)C=C1 5916AD [0,1,0,0,0,0|2,0,1]=4 8 B13R1.19 O=C(CCCl)NC1=CC=C(Cl)C=N1 1109AE [0,1,0,0,0,0|3,0,0]=4 9 B13R1.47 CCOC(=O)C(=O)C1=CC=NC=C1 Z3364 [0,1,0,0,0,0|3,0,0]=4 10 B13R1.79 CSC\C(C=O)=C/C1=CC=CC=C1 U253 [0,1,0,0,0,0|2,0,0]=3 11 B13R1.348 CC(=O)NC(=O)NC1=CC=CC=C1 8081AF [0,1,0,0,0,0|2,0,1]=4 12 B13R2.15 N[C@H]1CCC[C@H]1C2=CC=CC=C2 5385AB [0,0,0,1,0,0|2,0,1]=4 13 B13R2.26 CCCC1=CC2=C(C=CC=C2)C1 5540AC [0,0,0,1,0,0|2,0,0]=3 14 B13R2.221 NC1(CC2=CC=CC=C2)CCC1 9717AH [0,0,0,1,0,0|2,0,1]=4 15 B13R2.328 NC1=CC(=O)OC2=C1C=CC=C2 8125AJ [0,0,0,1,0,0|1,0,2]=4 16 B11R1.16 CNCC(=O)C1=CC=CC=C1 1268AJ [0,0,0,0,1,0|1,0,0]=2 17 B11R1.16 CNCC(=O)C1=CC=CC=C1 1806AJ [0,0,0,0,1,0|1,0,0]=2 18 B10R1.17 CC\C=C\C1=NC=CC=C1 Y6363 [2,0,0,0,0,0|1,0,1]=4 19 B10R1.17 CO\C=C\C1=CC=CC=C1 6472AB [2,0,0,0,0,0|1,0,1]=4 20 B12R1.1 CCCCOC1=NC=C(N)C=C1 8109AF [1,1,0,0,0,0|1,0,1]=4 21 B12R1.8 CNCC\C=C\C1=CN=CC=C1 3811AH [1,1,0,0,0,0|2,0,0]=4 22 B12R1.8 CNCC\C=C\C1=CN=CC=C1 4007AH [1,1,0,0,0,0|2,0,0]=4 23 B12R1.43 CN(C)C(=O)OC1=CC=CN=C1 P703 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.49 CC1=CC=C(SC(=O)CCl)C=C1 3816AL [1,1,0,0,0,0|1,1,0]=4 25 B12R1.50 CCC(=O)NC1=NC=CC(Cl)=C1 Y6474 [1,1,0,0,0,0|2,0,0]=4 26 B12R1.17 CCOC(=O)C1=NC(O)=CC=C1 7589AB [0,1,0,0,1,0|2,0,0]=4 27 B12R1.17 CNCC(=O)C1=CC(F)=CC=C1 5553AC [0,1,0,0,1,0|1,0,0]=3 28 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 4658AA [0,1,0,0,1,0|1,0,0]=3 29 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 Y1218 [0,1,0,0,1,0|1,0,0]=3 30 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 V5661 [0,1,0,0,1,0|2,0,0]=4 31 B12R1.107 CC(=O)CC(=O)C1=CC=CN=C1 4506AB [0,1,0,0,1,0|1,0,1]=4 32 B12R1.107 CC(C)OC(=O)C1=CN=CC=C1 U511 [0,1,0,0,1,0|2,0,0]=4 33 B12R1.308 CCOC(=O)C1=CC=NC=C1C 8767AB [0,1,0,0,1,0|2,0,0]=4 34 B14R1.502 CCCC(=O)CCC1=CC=C(F)C=C1 9481AH [0,1,0,0,0,1|1,0,0]=3 35 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)C=C1 F048 [0,1,0,0,0,1|2,0,0]=4 36 B14R1.598 CCOC(=O)\C=C\C1=CC=CC=C1F Y8815 [0,1,0,0,0,1|2,0,0]=4 37 B14R1.954 CCCC(=O)OC1=CC=C(OC)C=C1 5872AF [0,2,0,0,0,0|0,0,0]=2 38 B14R1.6823 CCOC(=O)CC1=CC=C(O)C=C1O W2015 [0,2,0,0,0,0|2,0,0]=4 39 B14R1.17 CCOC(=O)CC1=CC=CC(Cl)=C1Cl Y6555 [0,2,0,0,0,0|2,0,0]=4 40 B14R1.36 CCOC(=O)C(=O)C1=CC(Br)=CC=C1 6837AE [0,2,0,0,0,0|2,0,0]=4 41 B14R1.5978 CC(=O)CC(=O)NC1=CC(O)=CC=C1 1143AB [0,2,0,0,0,0|1,0,1]=4 42 B14R1.604 CCOC(=O)C(=[N+]=[N-])C1=CC=CC=C1 X7011 [0,2,0,0,0,0|2,0,0]=4 43 B12R2.1081 CC1CNCC2=CC=CC=C21 8754AC [1,0,0,1,0,0|2,0,0]=4 44 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 Z5959 [1,0,0,1,0,0|1,0,1]=4 45 B12R2.18 CN1C(=S)OC2=CC=CC=C21 Y7468 [1,0,0,1,0,0|1,1,0]=4 46 B12R2.18 O=C1OC2=C(C=CC=C2)C1=O 6525AJ [1,0,0,1,0,0|1,0,1]=4 47 B12R2.24 O=C1CCC2=CC=CN=C2C1 3036AJ [1,0,0,1,0,0|2,0,0]=4 48 B14R2.21 O=C1CCCC(C2=CC=CC=N2)C1 8708AC [0,0,0,1,0,1|2,0,0]=4 49 B14R2.949 O=C(NC1=CC=C(S)C=C1)C2CC2 9791AB [0,1,0,1,0,0|1,0,0]=3 50 B14R2.8235 CC1NC(=O)NC2=CC=C(Br)C=C21 3464AJ [0,1,0,1,0,0|2,0,0]=4 51 B14R2.19008 NCC1C(=O)NC2=C1C=C(F)C=C2 7255AB [0,1,0,1,0,0|2,0,0]=4 52 B14R2.111 NCCC1=NC2=CC=CC(Cl)=C2O1 9625AC [0,1,0,1,0,0|2,0,0]=4 53 B14R2.28454 O=C1CCCC2=C(C=CC=C2F)N1 3375AH [0,1,0,1,0,0|1,0,0]=3 54 B14R2.24 O=C1CCCCN1C2=CC=CC=C2 3068AH [0,1,0,1,0,0|1,0,0]=3 55 B14R2.517 O=C1NC2=CC=CC=C2N1CCO 7134AE [0,1,0,1,0,0|2,0,0]=4 56 B14R2.517 O=C1OC2=CC=CC=C2N1CCBr 2538AB [0,1,0,1,0,0|1,0,0]=3 57 B14R2.741 N[C@H]1CCC2=CC=CC=C2NC1=O 8694AH [0,1,0,1,0,0|1,0,0]=3 58 B10R1.15 NCC(=O)C1=CC=CC=C1 L191 [1,0,0,0,1,0|1,0,0]=3 59 B14R1.520 CCCC(=O)OCCC1=CC=CC=C1 P445 [0,0,0,0,0,2|0,0,0]=2 60 B14R1.520 CCOC(=O)CCOC1=CC=CC=C1 R858 [0,0,0,0,0,2|1,0,0]=3