0 B9R1.8 C1=CC=C(C=C1)CC=O S9357 [1,0,0,0,0,0|0,0,0]=1 1 B9R1.8 C1=CC=C(C=C1)CCN S5346 [1,0,0,0,0,0|1,0,1]=3 2 B9R1.8 C1=CC=C(C=C1)CCN S5347 [1,0,0,0,0,0|1,0,1]=3 3 B9R1.8 C1=CC=C(C=C1)CCO S3703 [1,0,0,0,0,0|0,0,1]=2 4 B11R1.20 C1=CC(=CC=C1CC(=O)O)O S4863 [0,1,0,0,0,0|0,0,0]=1 5 B11R1.36 C1=CC=C(C=C1)C(=O)C(=O)O S6053 [0,1,0,0,0,0|0,0,1]=2 6 B11R1.36 C1=CC=C(C=C1)C(C(=O)O)O S9003 [0,1,0,0,0,0|0,0,0]=1 7 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 S6009 [0,1,0,0,0,0|1,0,1]=3 8 B11R1.36 CC(C1=CC=CC=C1)C(=O)O S6321 [0,1,0,0,0,0|0,0,0]=1 9 B11R1.36 OC(O)C(=O)C1=CC=CC=C1 S5425 [0,1,0,0,0,0|0,0,3]=4 10 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O S6154 [0,1,0,0,0,0|0,0,0]=1 11 B11R1.509 C1=CC=C(C=C1)CS(=O)(=O)F S3025 [0,1,0,0,0,0|1,0,1]=3 12 B11R1.509 C1=CC=C(C=C1)CS(=O)(=O)F S3025 [0,1,0,0,0,0|1,0,1]=3 13 B11R2.4 C1C(C1N)C2=CC=CC=C2 S4246 [0,0,0,1,0,0|2,0,1]=4 14 B11R2.4 C1C(C1N)C2=CC=CC=C2 S9464 [0,0,0,1,0,0|2,0,1]=4 15 B11R2.10 C1=CC=C2C(=C1)NC(=O)O2 S5575 [0,0,0,1,0,0|1,0,0]=2 16 B11R2.10 C1C2=CC=CC=C2NC1=O S4861 [0,0,0,1,0,0|1,0,0]=2 17 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [0,0,0,0,1,0|2,0,0]=3 18 B9R1.6 C1=CC(=CN=C1)C(=O)N S1899 [0,0,0,0,1,0|2,0,0]=3 19 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [0,0,0,0,1,0|1,0,0]=2 20 B9R1.6 C1=CC(=CN=C1)C(=O)O S1744 [0,0,0,0,1,0|1,0,0]=2 21 B9R1.6 C1=CC=C(C=C1)C(=N)N S4956 [0,0,0,0,1,0|2,0,0]=3 22 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [0,0,0,0,1,0|1,0,0]=2 23 B9R1.6 C1=CC=C(C=C1)C(=O)N S4715 [0,0,0,0,1,0|1,0,0]=2 24 B9R1.6 C1=CC=C(C=C1)C(=O)O S4161 [0,0,0,0,1,0|0,0,0]=1 25 B9R1.6 C1=CC=C(C=C1)C(=O)[O-] S3750 [0,0,0,0,1,0|0,0,1]=2 26 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [0,0,0,0,1,0|2,0,0]=3 27 B9R1.6 C1=CC=NC(=C1)C(=O)N S4710 [0,0,0,0,1,0|2,0,0]=3 28 B9R1.6 C1=CC=NC(=C1)C(=O)O S6249 [0,0,0,0,1,0|1,0,0]=2 29 B9R1.6 C1=CC=NC(=C1)C(=O)[O-] S6443 [0,0,0,0,1,0|1,0,1]=3 30 B9R1.6 C1=CN=C(C=N1)C(=O)N S1762 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.6 C1=CN=C(C=N1)C(=O)N S1762 [0,0,0,0,1,0|3,0,0]=4 32 B9R1.6 C1=CN=C(C=N1)C(=O)N S1762 [0,0,0,0,1,0|3,0,0]=4 33 B9R1.6 C1=CN=CC=C1C(=O)O S6014 [0,0,0,0,1,0|1,0,0]=2 34 B9R1.6 C1=CN=CC=C1C(=S)N S3686 [0,0,0,0,1,0|2,1,0]=4 35 B9R1.6 CC(=O)C1=CC=CC=C1 S5528 [0,0,0,0,1,0|1,0,0]=2 36 B9R1.6 CC(=O)C1=NC=CN=C1 S6261 [0,0,0,0,1,0|3,0,0]=4 37 B9R1.6 CC(C1=CC=CC=C1)N S6260 [0,0,0,0,1,0|2,0,1]=4 38 B9R1.13 C1=C(NC=N1)CC(=O)O S6094 [0,0,0,0,1,0|2,0,0]=3 39 B11R1.91 C1=CC=C(C=C1)C=CC(=O)O S3677 [0,0,0,0,0,1|0,0,1]=2 40 B11R1.91 C1=CC=C(C=C1)CCC(=O)O S6254 [0,0,0,0,0,1|0,0,0]=1 41 B11R1.91 CC(=O)CCC1=CC=CC=C1 S9376 [0,0,0,0,0,1|1,0,0]=2 42 B11R1.91 CC(=O)OCC1=CC=CC=C1 S5576 [0,0,0,0,0,1|1,0,0]=2 43 B8R1.2 C1=CC=C(C=C1)C=O S5574 [2,0,0,0,0,0|0,0,0]=2 44 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|0,0,0]=2 45 B8R1.2 C1=CC=C(C=C1)CO S4600 [2,0,0,0,0,0|0,0,0]=2 46 B10R1.1 C1=CC(=CC=C1CCN)O S3625 [1,1,0,0,0,0|1,0,1]=4 47 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [1,1,0,0,0,0|0,0,1]=3 48 B10R1.1 C1=CC(=CC=C1CCO)O S3773 [1,1,0,0,0,0|0,0,1]=3 49 B10R1.17 C1=CC=C(C=C1)C=CC=O S3763 [1,1,0,0,0,0|0,0,1]=3 50 B10R1.17 C1=CC=C(C=C1)C=CCO S5824 [1,1,0,0,0,0|0,0,1]=3 51 B10R1.17 C1=CC=C(C=C1)CN=C=S S4783 [1,1,0,0,0,0|0,1,1]=4 52 B10R1.13 C1=CC(=CC=C1C(=O)O)N S4510 [0,1,0,0,1,0|0,0,0]=2 53 B10R1.13 C1=CC(=CC=C1C(=O)O)N S4510 [0,1,0,0,1,0|0,0,0]=2 54 B10R1.13 C1=CC(=CC=C1C(=O)O)O S3754 [0,1,0,0,1,0|0,0,0]=2 55 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])O S6196 [0,1,0,0,1,0|1,0,1]=4 56 B10R1.13 C1=CC(=O)NC=C1C(=O)O S6285 [0,1,0,0,1,0|1,0,0]=3 57 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)N S4725 [0,1,0,0,1,0|1,0,1]=4 58 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)N S4725 [0,1,0,0,1,0|1,0,1]=4 59 B10R1.61 C1=CC(=C(N=C1)C(=O)O)O S6252 [0,1,0,0,1,0|1,0,0]=3 60 B10R1.61 C1=CC(=C(N=C1)C(=O)[O-])O S8174 [0,1,0,0,1,0|1,0,1]=4 61 B10R1.61 C1=CC(=C(N=C1)C(=O)[O-])O S8174 [0,1,0,0,1,0|1,0,1]=4 62 B10R1.61 C1=CC(=C(N=C1)C(=O)[O-])O S8174 [0,1,0,0,1,0|1,0,1]=4 63 B10R1.61 C1=CC=C(C(=C1)C(=O)N)O S6404 [0,1,0,0,1,0|1,0,0]=3 64 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S4539 [0,1,0,0,1,0|0,0,0]=2 65 B10R1.61 C1=CC=C(C(=C1)C(=O)O)O S4539 [0,1,0,0,1,0|0,0,0]=2 66 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O S3137 [0,1,0,0,1,0|0,0,1]=3 67 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])O S3137 [0,1,0,0,1,0|0,0,1]=3 68 B10R1.61 CC(=O)C1=CC=CC=C1O S9375 [0,1,0,0,1,0|1,0,0]=3 69 B10R1.61 CC1=CC=CC=C1C(=O)O S6217 [0,1,0,0,1,0|0,0,0]=2 70 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [0,1,0,0,1,0|1,0,0]=3 71 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [0,1,0,0,1,0|1,0,0]=3 72 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [0,1,0,0,1,0|1,0,0]=3 73 B10R1.113 C1=CC(=CC(=C1)N)C(=O)N S1132 [0,1,0,0,1,0|1,0,0]=3 74 B10R1.113 C1=CC(=CC(=C1)O)C(=O)O S6367 [0,1,0,0,1,0|0,0,0]=2 75 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=O)N S4785 [0,1,0,0,1,0|2,0,0]=4 76 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=O)O S4995 [0,1,0,0,1,0|1,0,0]=3 77 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O S3802 [0,1,0,0,1,0|1,0,0]=3 78 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O S4759 [0,1,0,0,0,1|0,0,1]=3 79 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O S9564 [0,1,0,0,0,1|0,0,1]=3 80 B12R1.21 C1=CC(=CC=C1CCC(=O)O)O S3795 [0,1,0,0,0,1|0,0,0]=2 81 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O S9480 [0,1,0,0,0,1|1,0,0]=3 82 B12R1.27 COC(=O)C=CC1=CC=CC=C1 S6221 [0,1,0,0,0,1|0,0,1]=3 83 B12R1.43 C1=CC=C(C=C1)CC(=O)C(=O)O S6131 [0,1,0,0,0,1|0,0,0]=2 84 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)N S4153 [0,1,0,0,0,1|0,0,0]=2 85 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O S6271 [0,1,0,0,0,1|0,0,0]=2 86 B12R1.43 C1=CC=C(C=C1)CC(C(=O)O)O S6326 [0,1,0,0,0,1|0,0,0]=2 87 B12R1.226 C1=CC(=CC(=C1)O)C=CC(=O)O S5586 [0,1,0,0,0,1|0,0,1]=3 88 B12R1.226 C1=CC(=CC(=C1)O)CCC(=O)O S6074 [0,1,0,0,0,1|0,0,0]=2 89 B12R1.4 COC1=CC=C(C=C1)CC(=O)O S6273 [0,2,0,0,0,0|0,0,0]=2 90 B12R1.19 C1=CC(=C(C=C1CC(=O)O)O)O S5639 [0,2,0,0,0,0|0,0,0]=2 91 B12R1.478 C1=CC=C(C=C1)C(CO)C(=O)O S5689 [0,2,0,0,0,0|0,0,0]=2 92 B12R1.478 CCC(C1=CC=CC=C1)C(=O)O S6086 [0,2,0,0,0,0|0,0,0]=2 93 B12R1.75 CC(=O)NC1=CC=CC=C1SC S0210 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.75 CC(=O)NC1=CC=CC=C1SC S0210 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.127 C1=CC(=C(C=C1O)CC(=O)O)O S9352 [0,2,0,0,0,0|0,0,0]=2 96 B12R1.127 C1=CC(=C(C=C1O)CC(=O)O)O S9352 [0,2,0,0,0,0|0,0,0]=2 97 B12R1.438 COC1=CC=CC(=C1)CC(=O)O S6013 [0,2,0,0,0,0|0,0,0]=2 98 B10R2.7 C1=CC=C2C(=C1)C=CN2 S6358 [1,0,0,1,0,0|1,0,1]=4 99 B12R2.24 C1=CC=C2C(=C1)C=CC(=O)O2 S4170 [0,0,0,1,0,1|0,0,1]=3 100 B12R2.24 C1=CC=C2C=C(C=CC2=C1)O S6035 [0,0,0,1,0,1|1,0,1]=4 101 B12R2.24 C1CC(=O)OC2=CC=CC=C21 S9379 [0,0,0,1,0,1|0,0,0]=2 102 B12R2.606 C1=CC2=C(C=C1Cl)N=C(O2)N S4233 [0,1,0,1,0,0|2,0,0]=4 103 B12R2.606 C1=CC2=C(C=C1Cl)NC(=O)O2 S4155 [0,1,0,1,0,0|1,0,0]=3 104 B12R2.606 C1=CC2=C(C=C1O)OC(=O)S2 S2603 [0,1,0,1,0,0|1,0,0]=3 105 B12R2.606 C1=CC2=C(C=C1O)OC(=O)S2 S2603 [0,1,0,1,0,0|1,0,0]=3 106 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 S4717 [0,1,0,1,0,0|1,0,1]=4 107 B12R2.18 C1=CC=C2C(=C1)C(=O)C(=O)N2 S4717 [0,1,0,1,0,0|1,0,1]=4 108 B8R1.7 C1=CNC(=C1)C(=O)O S5832 [0,0,0,0,2,0|1,0,0]=3 109 B8R1.7 C1=COC(=C1)C(=O)O S4864 [0,0,0,0,2,0|1,0,0]=3 110 B8R1.7 C1=COC=C1C(=O)O S6097 [0,0,0,0,2,0|1,0,0]=3 111 B12R1.252 C1=CC=C(C=C1)CCCC(=O)[O-] S4125 [0,0,0,0,0,2|0,0,1]=3 112 B12R1.252 C1=CC=C(C=C1)CCCC(=O)[O-] S4125 [0,0,0,0,0,2|0,0,1]=3