0 B11R1.266 CCC1=CC=CC(C(N)=S)=C1 2270AJ [0,0,0,0,0,0|2,1,0]=3 1 B11R1.266 CCC1=NC=CC(C(C)=O)=C1 9484AL [0,0,0,0,0,0|3,0,0]=3 2 B11R1.266 NC(=O)C1=CC=CC(N=O)=C1 E040 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.266 NCC1=CC=CC(C(=O)O)=N1 8131AA [0,0,0,0,0,0|3,0,0]=3 4 B11R1.266 NNC1=CC(C(=O)O)=CC=C1 W5898 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.266 O=C(O)C1=CC(CBr)=NC=C1 1253AJ [0,0,0,0,0,0|3,0,0]=3 6 B10R1.113 CC1=CC([C@H](C)N)=CC=C1 W3021 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.113 CC1=CC=CC(C(N)=S)=N1 7874AF [1,0,0,0,0,0|2,1,0]=4 8 B10R1.113 C[N+]1=CC=CC(C(=O)[O-])=C1 7862AF [1,0,0,0,0,0|1,0,1]=3 9 B10R1.113 O=C(O)C1=CC(I)=CC=N1 6714AC [1,0,0,0,0,0|2,0,0]=3 10 B10R1.113 O=[N+]([O-])C1=NC=CC(O)=C1 0431AA [1,0,0,0,0,0|2,0,1]=4 11 B10R1.172 COC1=CC(CBr)=CC=C1 B984 [1,0,0,0,0,0|1,0,1]=3 12 B10R1.172 COC1=CC=CC(CBr)=N1 7829AA [1,0,0,0,0,0|2,0,1]=4 13 B10R1.172 COC1=NC=CC(CBr)=C1 Z2768 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.11 CSC1=CC(B(O)O)=CC(Cl)=C1 Z1557 [0,1,0,0,0,0|1,1,1]=4 15 B12R1.11 CSC1=CC(Br)=CC(B(O)O)=C1 Z1404 [0,1,0,0,0,0|1,1,1]=4 16 B12R1.11 CSC1=CC(Br)=CC(C(=O)O)=C1 Z0610 [0,1,0,0,0,0|0,1,0]=2 17 B12R1.11 CSC1=CC(F)=CC(C(=O)O)=C1 Z0609 [0,1,0,0,0,0|0,1,0]=2 18 B12R1.56 CC(=O)C1=CC=C(O)C(C#N)=C1 5077AB [0,1,0,0,0,0|3,0,0]=4 19 B12R1.56 COC1=C(N)C=CC(C(C)=O)=C1 7565AD [0,1,0,0,0,0|1,0,0]=2 20 B12R1.56 COC1=CC([N+](=O)[O-])=CC=C1[O-] 0628AP [0,1,0,0,0,0|1,0,1]=3 21 B12R1.258 CN(C)C1=CC(B(O)O)=CC=C1 N812 [0,1,0,0,0,0|2,0,1]=4 22 B12R1.258 C[C@H](N)C1=CC=CC(C(=O)O)=C1 9144AH [0,1,0,0,0,0|1,0,0]=2 23 B12R1.258 O=C(O)C1=NC=CC([N+](=O)[O-])=C1 6215AJ [0,1,0,0,0,0|3,0,0]=4 24 B12R1.279 CCOC1=CC=CC(C(=O)O)=N1 5938AB [0,1,0,0,0,0|1,0,0]=2 25 B12R1.279 CCOC1=CN=CC(C(=O)O)=C1 9936AL [0,1,0,0,0,0|1,0,0]=2 26 B12R1.279 CNCC1=CC=CC(C(=O)O)=C1 2350AJ [0,1,0,0,0,0|1,0,0]=2 27 B12R1.279 NCCC1=CC=CC(C(=O)O)=C1 1690AB [0,1,0,0,0,0|1,0,0]=2 28 B12R1.435 COC(=O)C1=CC(CBr)=CN=C1 Y4447 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.435 COC(=O)C1=CC=CC(CN)=C1 X2835 [0,1,0,0,0,0|2,0,0]=3 30 B12R1.435 COC(=O)C1=CC=CC(NN)=C1 Y6246 [0,1,0,0,0,0|2,0,0]=3 31 B12R1.435 COC(=O)C1=NC=CC(CBr)=C1 3465AB [0,1,0,0,0,0|3,0,0]=4 32 B12R1.435 COC1=CC(\C(N)=N\O)=CC=C1 Y9950 [0,1,0,0,0,0|1,0,0]=2 33 B12R1.436 COC1=CC=CC(C(C)(C)N)=C1 1782AA [0,1,0,0,0,0|2,0,1]=4 34 B12R1.440 CNC1=CC=CC(C(=O)O)=C1O 0089AP [0,1,0,0,0,0|1,0,0]=2 35 B12R1.440 CSC1=C(F)C(B(O)O)=CC=C1 Z1337 [0,1,0,0,0,0|1,1,1]=4 36 B12R1.440 O=C(O)C1=CC=CC(CO)=C1F Y9195 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.440 O=CC1=C(O)C(C(=O)O)=CC=C1 X7924 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.453 CC1=CC=C(C#N)C=C1C(=O)O 3202AJ [0,1,0,0,0,0|2,0,0]=3 39 B12R1.453 CSC1=NC(C(=O)O)=C(O)C=N1 3228AJ [0,1,0,0,0,0|2,1,0]=4 40 B12R1.453 NCC1=CC(C(=O)O)=C(O)C=C1 2746AB [0,1,0,0,0,0|2,0,0]=3 41 B10R1.31 O=C(O)C1=CC(CO)=CO1 Y6581 [0,0,0,0,1,0|3,0,0]=4 42 B10R1.39 C=CN1C=CC=C1C(=O)O 1021AE [0,0,0,0,1,0|2,0,1]=4 43 B10R1.39 CSC1=C(C(=O)O)C=CS1 Z0803 [0,0,0,0,1,0|1,1,0]=3 44 B9R1.2 C=CC1=CC(N)=CC=C1 1464AC [2,0,0,0,0,0|2,0,0]=4 45 B9R1.2 C=CC1=CN=CC(C)=C1 2455AL [2,0,0,0,0,0|2,0,0]=4 46 B9R1.2 CC1=CC(NN)=CC=C1 7665AB [2,0,0,0,0,0|2,0,0]=4 47 B9R1.2 NC1=CC(C=O)=CC=C1 8788AA [2,0,0,0,0,0|1,0,0]=3 48 B9R1.6 C=C(Br)C1=CC=CC=C1 V9920 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.6 CC(=O)C1=CC=NC=C1 7859AF [2,0,0,0,0,0|2,0,0]=4 50 B9R1.6 C[PH](=O)C1=CC=CC=C1 0011AB [2,0,0,0,0,0|2,0,0]=4 51 B9R1.6 NC(=O)C1=NC=CC=C1 7986AJ [2,0,0,0,0,0|2,0,0]=4 52 B9R1.6 O=C(O)C1=CC=CN=C1 7629AF [2,0,0,0,0,0|1,0,0]=3 53 B9R1.6 O=C(O)C1=NC=CC=C1 5114AH [2,0,0,0,0,0|1,0,0]=3 54 B9R1.6 O=C([O-])C1=CC=CC=C1 M138 [2,0,0,0,0,0|0,0,1]=3 55 B9R1.6 O=C([O-])C1=CC=CC=C1 V1440 [2,0,0,0,0,0|0,0,1]=3 56 B9R1.6 O=C([O-])C1=CC=CC=C1 V1449 [2,0,0,0,0,0|0,0,1]=3 57 B9R1.6 O=C([O-])C1=CC=CC=C1 V1986 [2,0,0,0,0,0|0,0,1]=3 58 B9R1.6 O=[PH]([O-])C1=CC=CC=C1 C359 [2,0,0,0,0,0|1,0,1]=4 59 B11R1.21 CC1=CC(C(=O)O)=CN=C1C 3056AJ [1,1,0,0,0,0|1,0,0]=3 60 B11R1.21 O=C(Cl)C1=CC=C(F)C(Br)=C1 V0688 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.23 CC1=CC(C(O)CN)=CC=C1 0300AA [1,1,0,0,0,0|1,0,1]=4 62 B11R1.23 NCC(=O)C1=CC(Br)=CC=C1 1452AJ [1,1,0,0,0,0|2,0,0]=4 63 B11R1.23 O=CC(=O)C1=CC(Br)=CC=C1 1099AL [1,1,0,0,0,0|1,0,1]=4 64 B11R1.74 NC1=CC(N)=CC(C(=O)O)=C1 8390AJ [1,1,0,0,0,0|1,0,0]=3 65 B11R1.155 CC(C)(O)C1=CC(O)=CC=C1 Z5119 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.155 CC1=NC=CC(S(=O)(=O)O)=C1 5574AB [1,1,0,0,0,0|2,0,0]=4 67 B11R1.159 NC1=CC=CC(C(=O)O)=C1N 9418AF [1,1,0,0,0,0|1,0,0]=3 68 B11R1.159 O=C(O)C1=C(Br)C(Cl)=NC=C1 3818AA [1,1,0,0,0,0|2,0,0]=4 69 B11R1.167 CC(=O)C1=CC(C)=CN=C1F Y3976 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.167 NC1=CC(C(=O)O)=C(Cl)C=C1 7841AF [1,1,0,0,0,0|1,0,0]=3 71 B11R1.167 O=C(O)C1=C(Cl)C=CC(Cl)=N1 9628AJ [1,1,0,0,0,0|2,0,0]=4 72 B11R1.9 C#CC1=CC(Cl)=CC(OC)=C1 8120AB [1,1,0,0,0,0|1,0,1]=4 73 B11R1.9 O=CC1=CC(I)=CC(C=O)=C1 3396AC [1,1,0,0,0,0|2,0,0]=4 74 B11R1.267 COC1=C(Cl)C(CO)=CC=C1 9934AL [1,1,0,0,0,0|0,0,1]=3 75 B11R1.280 CSC1=CC(C=O)=CC=C1C Z0499 [1,1,0,0,0,0|0,1,0]=3 76 B11R1.280 CSC1=CC(CO)=CC=C1F Z1514 [1,1,0,0,0,0|0,1,1]=4 77 B13R1.52 CC1=CC=C(CC(=O)O)C=C1C#N 5063AA [0,1,0,0,0,1|2,0,0]=4 78 B13R1.97 COC1=CN=C(Cl)C(CC(=O)O)=C1 8492AH [0,1,0,0,0,1|1,0,0]=3 79 B13R1.373 CCNC1=CC(NC(C)=O)=CC=C1 F698 [0,1,0,0,0,1|2,0,0]=4 80 B13R1.373 CCOC1=CC=CC(NC(C)=O)=C1 2417AL [0,1,0,0,0,1|1,0,0]=3 81 B13R1.587 N=C(N)C1=CC=CC(CC(=O)O)=C1 8633AH [0,1,0,0,0,1|2,0,0]=4 82 B13R1.641 COC1=C(F)C(CC(C)=O)=CC=C1 9406AH [0,1,0,0,0,1|1,0,0]=3 83 B13R1.298 COC1=CC(B(O)O)=CC(C)=C1F Z1517 [0,2,0,0,0,0|1,0,1]=4 84 B13R1.313 COC1=CC(B(O)O)=CC(C=O)=C1 Z1564 [0,2,0,0,0,0|1,0,1]=4 85 B13R1.13 O=C(O)C1=CC(B(O)O)=CC=C1Br Z1489 [0,2,0,0,0,0|2,0,0]=4 86 B13R1.49 COC1=C(O)C=CC(C(=O)NN)=C1 7150AC [0,2,0,0,0,0|1,0,0]=3 87 B13R1.50 COC1=CC(S(=O)(=O)[O-])=CC=C1O 8855AL [0,2,0,0,0,0|1,0,1]=4 88 B13R1.651 COC1=C(C)C=C(Cl)C(B(O)O)=C1 Y2305 [0,2,0,0,0,0|1,0,1]=4 89 B13R1.3091 COC1=C([N+]#N)C=CC([N+](=O)[O-])=C1 T273 [0,2,0,0,0,0|1,0,1]=4 90 B13R1.3091 COC1=CC([N+](=O)[O-])=CC=C1[N+]#N X4404 [0,2,0,0,0,0|1,0,1]=4 91 B13R1.3230 COC1=C(F)C(C(=O)O)=CC=C1F X4334 [0,2,0,0,0,0|0,0,0]=2 92 B13R1.543 COC(=O)C1=CC=CC(C(=O)Cl)=C1 Y8802 [0,2,0,0,0,0|1,0,0]=3 93 B13R1.543 COC(=O)C1=CC=CC([C@@H](C)N)=C1 8981AH [0,2,0,0,0,0|1,0,0]=3 94 B13R1.543 C\C(=N/O)C1=CC(C(=O)O)=CC=C1 Y6065 [0,2,0,0,0,0|1,0,0]=3 95 B13R1.387 COCC1=CC=C(Cl)C(B(O)O)=C1 Z1326 [0,2,0,0,0,0|1,0,1]=4 96 B13R1.568 OB(O)C1=CC=CC(OCCF)=C1 Y2386 [0,2,0,0,0,0|1,0,1]=4 97 B13R1.82 COC(=O)C1=CC=CC(CO)=C1Br Z3237 [0,2,0,0,0,0|2,0,0]=4 98 B13R1.645 COC1=CC=CC(S(=O)(=O)[O-])=C1O 5133AF [0,2,0,0,0,0|1,0,1]=4 99 B13R1.2137 COC1=C(CBr)C([N+](=O)[O-])=CC=C1 1250AJ [0,2,0,0,0,0|1,0,1]=4 100 B13R1.2137 COC1=CC=CC([N+](=O)[O-])=C1CO 8516AH [0,2,0,0,0,0|1,0,1]=4 101 B13R1.3097 CSC1=C(F)C(C(=O)O)=C(F)C=C1 Z1290 [0,2,0,0,0,0|0,1,0]=3 102 B11R1.91 O=C(O)C=CC1=CC=CC=C1 9667AL [0,0,1,1,0,0|1,0,1]=4 103 B13R2.581 COC1=C2NC(=S)OC2=CC=C1 6195AJ [0,0,0,1,0,1|1,1,0]=4 104 B13R2.2121 COC1=CC2=C(C=C1)NC(Cl)=N2 8037AA [0,0,0,1,0,1|2,0,0]=4 105 B13R2.2121 NCC1=CC2=C(C=C1)OC(=O)N2 3081AJ [0,0,0,1,0,1|2,0,0]=4 106 B13R2.430 O=C(O)C1=CC=C2SN=NC2=C1 6511AD [0,1,0,1,0,0|2,0,0]=4 107 B13R2.5569 O=C(O)C1=CC=CC2=C1N=CN2 9496AJ [0,1,0,1,0,0|1,0,1]=4 108 B13R2.669 COC1=CC=C2OCC(N)C2=C1 2933AL [0,1,0,1,0,0|1,0,1]=4 109 B9R1.35 CC1=COC(C(=O)O)=N1 X6324 [1,0,0,0,1,0|2,0,0]=4 110 B9R1.35 CC1=CSC(C(=O)Cl)=C1 Y2029 [1,0,0,0,1,0|2,0,0]=4 111 B9R1.41 NC1=C(C(=O)O)C=CS1 W7009 [1,0,0,0,1,0|2,0,0]=4 112 B9R1.41 O=C(O)C1=C(F)SC=C1 1036AC [1,0,0,0,1,0|2,0,0]=4 113 B9R1.14 CSC1=C(C=O)C=CS1 Z0839 [1,0,0,0,1,0|1,1,0]=4 114 B9R1.21 CSC1=CC(C=O)=CS1 Z0992 [1,0,0,0,1,0|1,1,0]=4 115 B11R1.157 NC(=O)NC1=CC(Br)=CC=C1 9396AD [1,0,0,0,0,1|2,0,0]=4 116 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 5257AB [1,0,0,0,0,1|2,0,0]=4 117 B11R1.3 COC1=CC=C(B(O)O)N=C1 X1628 [0,0,0,0,1,1|1,0,1]=4 118 B11R1.3 COC1=CC=C(C(=N)N)C=C1 1267AB [0,0,0,0,1,1|2,0,0]=4