0 B10R1.113 CC1=CC([C@H](C)N)=CC=C1 W3021 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.113 CC1=CC=CC(C(N)=S)=N1 7874AF [0,0,0,0,0,0|2,1,0]=3 2 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 7862AF [0,0,0,0,0,0|4,0,0]=4 3 B10R1.113 NC(=O)C1=NC(F)=CN=C1 1523AE [0,0,0,0,0,0|4,0,0]=4 4 B9R1.2 C#CC1=CC=NC(Cl)=N1 4872AB [1,0,0,0,0,0|1,0,2]=4 5 B9R1.2 CC1=NN=CC(C=O)=N1 2328AJ [1,0,0,0,0,0|1,0,0]=2 6 B9R1.2 CCC1=NC(C)=CN=C1 R550 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.2 CNC1=NC(=O)NC=C1 Z2895 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.2 CSC1=CC(F)=NC=C1 Z1346 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.2 NC1=CC(C=O)=CC=C1 8788AA [1,0,0,0,0,0|3,0,0]=4 10 B9R1.2 NC1=NC=CC(C=O)=N1 8419AA [1,0,0,0,0,0|1,0,0]=2 11 B9R1.6 C=C(Br)C1=NC=CC=C1 Y9784 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.6 CC(=O)C1=CC=NC=C1 7859AF [1,0,0,0,0,0|1,0,0]=2 13 B9R1.6 CN(C)C1=CC=NC=C1 5677AH [1,0,0,0,0,0|3,0,0]=4 14 B9R1.6 C[PH](=O)C1=CC=CC=C1 0011AB [1,0,0,0,0,0|3,0,0]=4 15 B9R1.6 NC(=O)C1=NC=CC=C1 7986AJ [1,0,0,0,0,0|2,0,0]=3 16 B9R1.6 O=C(O)C1=NC=CC=C1 5114AH [1,0,0,0,0,0|2,0,0]=3 17 B9R1.6 O=C([O-])C1=CC=CC=C1 M138 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.6 O=C([O-])C1=CC=CC=C1 V1440 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.6 O=C([O-])C1=CC=CC=C1 V1449 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.6 O=C([O-])C1=CC=CC=C1 V1986 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.23 NCC(=O)C1=CC(Br)=CC=C1 1452AJ [0,1,0,0,0,0|3,0,0]=4 22 B11R1.155 CC1=NC=CC(S(=O)(=O)O)=C1 5574AB [0,1,0,0,0,0|3,0,0]=4 23 B11R1.159 O=C(O)C1=C(Br)C(Cl)=NC=C1 3818AA [0,1,0,0,0,0|3,0,0]=4 24 B11R1.167 CC(=O)C1=CC(C)=CN=C1F Y3976 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.167 CC(=O)C1=NC(C)=CN=C1C 7816AB [0,1,0,0,0,0|2,0,0]=3 26 B11R1.167 CC(=O)C1=NC(Cl)=NC=C1C W9899 [0,1,0,0,0,0|1,0,0]=2 27 B11R1.167 NC1=NC=C(Cl)C(C(=O)O)=N1 6311AB [0,1,0,0,0,0|2,0,0]=3 28 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=N1 9628AJ [0,1,0,0,0,0|3,0,0]=4 29 B11R1.266 CCC1=NC=CC(C(C)=O)=C1 9484AL [0,1,0,0,0,0|1,0,0]=2 30 B11R1.266 NCC1=CC=CC(C(=O)O)=N1 8131AA [0,1,0,0,0,0|2,0,0]=3 31 B11R1.266 O=C(O)C1=CC(CBr)=NC=C1 1253AJ [0,1,0,0,0,0|2,0,0]=3 32 B9R1.35 CC(=O)C1=NC(C)=CS1 Y8372 [0,0,0,0,1,0|1,0,0]=2 33 B9R1.35 CC1=COC(C(=O)O)=N1 X6324 [0,0,0,0,1,0|2,0,0]=3 34 B9R1.35 CC1=CSC(C(=O)Cl)=C1 Y2029 [0,0,0,0,1,0|3,0,0]=4 35 B9R1.35 CC1=NN=C(C(N)=O)O1 X5146 [0,0,0,0,1,0|3,0,0]=4 36 B9R1.35 CC1=NNC(C(N)=O)=C1 4470AD [0,0,0,0,1,0|3,0,0]=4 37 B9R1.35 O=C(O)C1=CN=C(Br)O1 X9980 [0,0,0,0,1,0|3,0,0]=4 38 B9R1.41 CC(=O)C1=C(Cl)C=CS1 4837AC [0,0,0,0,1,0|3,0,0]=4 39 B9R1.41 CC(=O)C1=CNN=C1C X5410 [0,0,0,0,1,0|1,0,0]=2 40 B9R1.41 NC1=C(C(=O)O)C=CS1 W7009 [0,0,0,0,1,0|3,0,0]=4 41 B9R1.41 O=C(O)C1=C(F)SC=C1 1036AC [0,0,0,0,1,0|3,0,0]=4 42 B9R1.41 O=C(O)C1=CSN=C1Cl 5806AC [0,0,0,0,1,0|3,0,0]=4 43 B8R1.2 O=CC1=CC=NC=C1 7668AH [2,0,0,0,0,0|1,0,0]=3 44 B8R1.4 CC1=CC(Br)=CC=N1 2699AJ [2,0,0,0,0,0|2,0,0]=4 45 B8R1.4 NC1=NC(=O)C=CN1 5499AL [2,0,0,0,0,0|1,0,1]=4 46 B10R1.8 C=CC1=CC(Cl)=NC(Cl)=N1 X6817 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.8 O=CC1=CC(Br)=NC(Br)=C1 3445AB [1,1,0,0,0,0|2,0,0]=4 48 B10R1.172 COC1=CC=CC(CBr)=N1 7829AA [1,1,0,0,0,0|2,0,0]=4 49 B10R1.176 COC1=NC(C)=C(I)C=C1 Y2073 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.15 C=C=C(C)C1=NC=CC=C1 9561AF [1,1,0,0,0,0|2,0,0]=4 51 B10R1.15 CNC(=O)C1=NC=CN=C1 4419AJ [1,1,0,0,0,0|2,0,0]=4 52 B10R1.15 CSC(=N)C1=CC=NC=C1 0163AD [1,1,0,0,0,0|2,0,0]=4 53 B10R1.15 CSC(=N)C1=NC=CC=C1 4542AF [1,1,0,0,0,0|2,0,0]=4 54 B10R1.15 NCC(=O)C1=CC=CC=C1 L191 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.14 CCC(=O)C1=CC=C(Cl)S1 0225AE [0,1,0,0,1,0|2,0,0]=4 56 B10R1.14 COC(=O)C1=CC=C(I)O1 9757AL [0,1,0,0,1,0|2,0,0]=4 57 B10R1.14 COC(=O)C1=CN=C(N)[Se]1 Z2510 [0,1,0,0,1,0|2,0,0]=4 58 B10R1.31 CSC1=NC=C(C(C)=O)N1 9375AH [0,1,0,0,1,0|0,0,1]=3 59 B10R1.31 NC(=O)C1=NC(CCl)=NO1 8568AD [0,1,0,0,1,0|2,0,0]=4 60 B10R1.31 NCC1=NC(C(=O)O)=CS1 1233AJ [0,1,0,0,1,0|2,0,0]=4 61 B10R1.58 CC(=O)C1=NC(C)=C(C)S1 9222AE [0,1,0,0,1,0|1,0,0]=3 62 B10R1.58 CC1=C(C)OC(C(=O)O)=N1 2578AJ [0,1,0,0,1,0|2,0,0]=4 63 B10R1.59 CC(=O)N1CC(C)=CC1=O Y8809 [0,1,0,0,1,0|2,0,0]=4 64 B10R1.39 CSC1=C(C(=O)O)C=CS1 Z0803 [0,1,0,0,1,0|2,0,0]=4 65 B10R1.149 COC(=O)C1=CNN=C1I 5284AA [0,1,0,0,1,0|2,0,0]=4 66 B12R1.438 CC(=O)NC1=NC(C=O)=CC=C1 T338 [0,1,0,0,0,1|1,0,1]=4 67 B12R1.438 CC(C)OC1=CC=NC(CN)=N1 3887AJ [0,1,0,0,0,1|1,0,1]=4 68 B12R1.438 CC(C)OC1=CC=NC(CN)=N1 8785AH [0,1,0,0,0,1|1,0,1]=4 69 B12R1.56 COC1=C(N)C=CC(C(C)=O)=C1 7565AD [0,2,0,0,0,0|2,0,0]=4 70 B12R1.893 CC(=O)C1=CC=C(C)C(C)=C1N Y7597 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.17 CCOC(=O)C1=NC(O)=CC=C1 7589AB [0,2,0,0,0,0|2,0,0]=4 72 B12R1.24 CNC(=O)C1=C(Cl)C(Cl)=NC=C1 Z0519 [0,2,0,0,0,0|2,0,0]=4 73 B12R1.358 COC(=O)C1=CC(Cl)=NC(Br)=C1 Y0527 [0,2,0,0,0,0|2,0,0]=4 74 B12R1.435 COC(=O)C1=CC=CC(CN)=C1 X2835 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.453 CSC1=NC(C(=O)O)=C(O)C=N1 3228AJ [0,2,0,0,0,0|1,0,0]=3 76 B12R1.279 CCOC1=CC=CC(C(=O)O)=N1 5938AB [0,2,0,0,0,0|2,0,0]=4 77 B8R1.1 O=CC1=COC(Br)=N1 1801AA [1,0,0,0,1,0|2,0,0]=4 78 B8R1.7 CC(=O)C1=CC=NN1 9154AA [1,0,0,0,1,0|0,0,1]=3 79 B8R1.7 O=C(O)C1=NN=CO1 6208AC [1,0,0,0,1,0|2,0,0]=4 80 B10R1.18 CC(=O)CC1=NC=CC=N1 1768AC [1,0,0,0,0,1|2,0,0]=4