0 B9R1.6 CC(=O)c1ccccc1 T7446 [0,0,0,0,0,0|0,1,1]=2 1 B9R1.6 CC(=O)c1cnccn1 T5596 [0,0,0,0,0,0|2,1,1]=4 2 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,0,0,0,0,0|0,1,0]=1 3 B9R1.6 NC(=N)c1ccccc1 T8362 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.6 NC(=O)c1ccccc1 T6780 [0,0,0,0,0,0|1,1,1]=3 5 B9R1.6 NC(=O)c1ccccn1 T6942 [0,0,0,0,0,0|2,1,1]=4 6 B9R1.6 NC(=O)c1cccnc1 T0934 [0,0,0,0,0,0|2,1,1]=4 7 B9R1.6 NC(=O)c1ccncc1 T0552 [0,0,0,0,0,0|2,1,1]=4 8 B9R1.6 NC(=S)c1ccncc1 T1365 [0,0,0,0,0,0|2,0,2]=4 9 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [0,0,0,0,0,0|2,1,1]=4 10 B9R1.6 OB(O)c1ccccc1 T30355 [0,0,0,0,0,0|2,1,0]=3 11 B9R1.6 OC(=O)c1ccccc1 T0833 [0,0,0,0,0,0|1,1,1]=3 12 B9R1.6 OC(=O)c1ccccn1 T4850 [0,0,0,0,0,0|2,1,1]=4 13 B9R1.6 OC(=O)c1cccnc1 T0879 [0,0,0,0,0,0|2,1,1]=4 14 B9R1.6 OC(=O)c1ccncc1 Fr13756 [0,0,0,0,0,0|2,1,1]=4 15 B9R1.6 OP(=O)c1ccccc1 T20416 [0,0,0,0,0,0|2,1,0]=3 16 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [0,0,0,0,0,0|1,1,1]=3 17 B9R1.6 [O-]C(=O)c1ccccn1 T4575 [0,0,0,0,0,0|2,1,1]=4 18 B8R1.2 COc1cnccn1 TN6755 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.2 NCc1ccccc1 TN3497 [1,0,0,0,0,0|1,0,0]=2 20 B8R1.2 NCc1cccnc1 T1581 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.2 O=Cc1ccccc1 TWO2659 [1,0,0,0,0,0|0,1,1]=3 22 B8R1.2 OCc1ccccc1 T0732 [1,0,0,0,0,0|0,1,0]=2 23 B8R1.2 OCc1ccccn1 T1112 [1,0,0,0,0,0|1,1,0]=3 24 B8R1.2 OCc1cccnc1 T1299 [1,0,0,0,0,0|1,1,0]=3 25 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [0,1,0,0,0,0|0,1,1]=3 26 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [0,1,0,0,0,0|0,1,1]=3 27 B10R1.13 CC(C)C1=CC=C(C)CC1 T7909 [0,1,0,0,0,0|1,0,2]=4 28 B10R1.13 CC(C)C1=CCC(C)=CC1 TN2031 [0,1,0,0,0,0|1,0,2]=4 29 B10R1.13 CC(C)C1CC=C(C)C=C1 TN6990 [0,1,0,0,0,0|1,0,2]=4 30 B10R1.13 CC(C)[C@H]1CC=C(C)C=C1 T8289 [0,1,0,0,0,0|1,0,2]=4 31 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [0,1,0,0,0,0|1,1,1]=4 33 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [0,1,0,0,0,0|1,1,1]=4 34 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [0,1,0,0,0,0|1,1,1]=4 35 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [0,1,0,0,0,0|1,1,1]=4 36 B10R1.15 C=CC(=O)c1ccccc1 T20607 [0,1,0,0,0,0|0,1,2]=4 37 B10R1.15 CC(NN)c1ccccc1 T33268 [0,1,0,0,0,0|1,0,0]=2 38 B10R1.15 CCC(C1=CC=NC=C1)=O T20581 [0,1,0,0,0,0|1,1,1]=4 39 B10R1.15 CNC(=O)c1ccccc1 T12150 [0,1,0,0,0,0|0,1,1]=3 40 B10R1.15 CNC(=O)c1cccnc1 T5233 [0,1,0,0,0,0|1,1,1]=4 41 B10R1.15 COC(=O)c1cccnc1 T5562 [0,1,0,0,0,0|1,1,1]=4 42 B10R1.15 COC(c1ncccc1)=O T22220 [0,1,0,0,0,0|1,1,1]=4 43 B10R1.15 N#C[C@@H](c1ccccc1)O T9158 [0,1,0,0,0,0|0,1,1]=3 44 B10R1.15 NCC(O)c1ccccc1 T4873 [0,1,0,0,0,0|0,1,0]=2 45 B10R1.15 NNC(=S)c1ccccc1 T10513 [0,1,0,0,0,0|1,0,2]=4 46 B10R1.15 O=CC(=O)c1ccccc1 T38465 [0,1,0,0,0,0|0,1,2]=4 47 B10R1.15 OC(C=C)c1ccccc1 T50007 [0,1,0,0,0,0|0,1,1]=3 48 B10R1.15 OCC(O)c1ccccc1 T1346 [0,1,0,0,0,0|0,1,0]=2 49 B10R1.28 NS(=O)(=O)c1ccccc1 T6781 [0,1,0,0,0,0|2,1,0]=4 50 B10R1.28 OS(=O)(=O)c1ccccc1 T20417 [0,1,0,0,0,0|2,1,0]=4 51 B10R1.61 CC(=O)c1ccccc1C T36788 [0,1,0,0,0,0|0,1,1]=3 52 B10R1.61 CC(=O)c1ccccc1Cl T20449 [0,1,0,0,0,0|0,1,1]=3 53 B10R1.61 CC(=O)c1ccccc1O TCS1856 [0,1,0,0,0,0|0,1,1]=3 54 B10R1.61 Cc1ccccc1C(O)=O T8068 [0,1,0,0,0,0|1,1,1]=4 55 B10R1.61 NC(=O)c1ccccc1O T0004 [0,1,0,0,0,0|1,1,1]=4 56 B10R1.61 OC(=O)c1ccccc1I T20881 [0,1,0,0,0,0|1,1,1]=4 57 B10R1.61 OC(=O)c1ccccc1O T0649 [0,1,0,0,0,0|1,1,1]=4 58 B10R1.61 OC(=O)c1ccccc1O T27597 [0,1,0,0,0,0|1,1,1]=4 59 B10R1.61 Oc1ccccc1C(S)=S T31535 [0,1,0,0,0,0|1,0,1]=3 60 B10R1.61 Oc1ccccc1C([O-])=O T0335 [0,1,0,0,0,0|1,1,1]=4 61 B10R1.61 Oc1ccccc1C([O-])=O T20668 [0,1,0,0,0,0|1,1,1]=4 62 B10R1.113 CC(=C)c1cccc(C)c1 T33400 [0,1,0,0,0,0|1,0,1]=3 63 B10R1.113 CC(=O)c1cccc(O)c1 T20389 [0,1,0,0,0,0|0,1,1]=3 64 B10R1.113 CC(C)c1cccc(C)c1 TN6950 [0,1,0,0,0,0|1,0,0]=2 65 B10R1.113 CC(O)c1cccc(N)c1 T21106 [0,1,0,0,0,0|0,1,0]=2 66 B10R1.113 CN(C)c1cccc(C)c1 T21088 [0,1,0,0,0,0|2,0,0]=3 67 B10R1.113 Cc1cccc(c1)C(Cl)=O T7850 [0,1,0,0,0,0|1,1,1]=4 68 B10R1.113 Fc1cccc(c1)C(Cl)=O T21186 [0,1,0,0,0,0|1,1,1]=4 69 B10R1.113 NC(=O)c1cccc(F)c1 T21178 [0,1,0,0,0,0|1,1,1]=4 70 B10R1.113 NC(=O)c1cccc(I)c1 T21211 [0,1,0,0,0,0|1,1,1]=4 71 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [0,1,0,0,0,0|1,1,1]=4 72 B10R1.113 OC(=O)c1cccc(O)c1 T4840 [0,1,0,0,0,0|1,1,1]=4 73 B10R1.113 Oc1cccc(c1)C([O-])=O T21204 [0,1,0,0,0,0|1,1,1]=4 74 B10R1.113 [O-]C(=O)c1cccc(I)c1 T30402 [0,1,0,0,0,0|1,1,1]=4 75 B10R1.113 [O-][N+](=O)c1cccc(F)c1 T21175 [0,1,0,0,0,0|2,1,0]=4 76 B8R1.7 CC(=O)[c-]1cccc1 T20583 [0,0,0,0,1,0|0,1,2]=4 77 B8R1.7 CC(=O)c1cccs1 T29331 [0,0,0,0,1,0|1,1,1]=4 78 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,0,0,0,0,1|0,1,1]=3 79 B10R1.18 CC(=S)Nc1ccccc1 T20263 [0,0,0,0,0,1|0,0,2]=3 80 B10R1.18 CC(N)Cc1ccccc1 T25082 [0,0,0,0,0,1|1,0,0]=2 81 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [0,0,0,0,0,1|1,0,0]=2 82 B7R1.3 Cc1ccccn1 T21323 [2,0,0,0,0,0|1,0,0]=3 83 B7R1.3 O=c1cccc[nH]1 T4805 [2,0,0,0,0,0|1,1,0]=4 84 B9R1.1 CCc1ccc(O)cc1 T5883 [1,1,0,0,0,0|0,0,0]=2 85 B9R1.1 COc1ccc(F)cc1 T0528 [1,1,0,0,0,0|1,0,0]=3 86 B9R1.1 COc1ccc(O)cc1 T0501 [1,1,0,0,0,0|1,0,0]=3 87 B9R1.1 NCc1ccc(O)cc1 T21095 [1,1,0,0,0,0|1,0,0]=3 88 B9R1.1 NNc1ccc(Cl)cc1 T3167 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.1 OCc1ccc(O)cc1 T3752 [1,1,0,0,0,0|0,1,0]=3 90 B9R1.1 OCc1ccc(cn1)O T40502 [1,1,0,0,0,0|1,1,0]=4 91 B9R1.1 Oc1ccc(C=C)cc1 T13509 [1,1,0,0,0,0|0,0,2]=4 92 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [1,1,0,0,0,0|0,1,1]=4 93 B9R1.2 CCc1cccc(N)c1 T21169 [1,1,0,0,0,0|0,0,0]=2 94 B9R1.2 CCc1cccc(O)c1 T21170 [1,1,0,0,0,0|0,0,0]=2 95 B9R1.2 CNc1cccc(C)c1 T0557 [1,1,0,0,0,0|1,0,0]=3 96 B9R1.2 COc1cccc(Br)c1 T21218 [1,1,0,0,0,0|1,0,0]=3 97 B9R1.2 COc1cccc(C)c1 T21278 [1,1,0,0,0,0|1,0,0]=3 98 B9R1.2 COc1cccc(O)c1 T20294 [1,1,0,0,0,0|1,0,0]=3 99 B9R1.2 Cc1cccc(c1)[I]=O T32169 [1,1,0,0,0,0|1,1,0]=4 100 B9R1.2 ClCc1cccc(Cl)c1 T21091 [1,1,0,0,0,0|1,0,0]=3 101 B9R1.2 Fc1cccc(C=O)c1 T21180 [1,1,0,0,0,0|0,1,1]=4 102 B9R1.2 Fc1cccc(CCl)c1 T21179 [1,1,0,0,0,0|1,0,0]=3 103 B9R1.2 NCc1ccnc(Cl)c1 T7185 [1,1,0,0,0,0|2,0,0]=4 104 B9R1.2 OCc1ccc[n+]([O-])c1 T0257 [1,1,0,0,0,0|1,1,0]=4 105 B9R1.2 OCc1cccc(I)c1 T21214 [1,1,0,0,0,0|0,1,0]=3 106 B9R1.2 OCc1cccc(O)c1 T4760 [1,1,0,0,0,0|0,1,0]=3 107 B9R1.2 Oc1cccc(C=O)c1 T4778 [1,1,0,0,0,0|0,1,1]=4 108 B9R1.8 CCOc1ccccc1 T19753 [1,1,0,0,0,0|0,0,0]=2 109 B9R1.8 CNCc1ccccc1 T8016 [1,1,0,0,0,0|0,0,0]=2 110 B9R1.8 NCCc1ccccc1 T2935 [1,1,0,0,0,0|0,0,0]=2 111 B9R1.8 NCCc1ccccc1 T7433 [1,1,0,0,0,0|0,0,0]=2 112 B9R1.8 NCCc1ccccn1 T22501 [1,1,0,0,0,0|1,0,0]=3 113 B9R1.8 O/N=C/c1ccccc1 T20350 [1,1,0,0,0,0|0,1,1]=4 114 B9R1.8 O=CCc1ccccc1 TCS1857 [1,1,0,0,0,0|0,0,1]=3 115 B9R1.8 OCCc1ccccc1 T0011 [1,1,0,0,0,0|0,0,0]=2 116 B9R1.8 OCCc1ccccn1 T0658 [1,1,0,0,0,0|1,0,0]=3 117 B9R1.15 COc1ccccc1O T1301 [1,1,0,0,0,0|1,0,0]=3 118 B9R1.15 NCc1ccccc1O T41358 [1,1,0,0,0,0|1,0,0]=3 119 B9R1.15 OCc1ccccc1O T0311 [1,1,0,0,0,0|0,1,0]=3 120 B9R1.19 CC(C)(C)c1cccs1 T29375 [0,1,0,0,1,0|2,0,0]=4 121 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [0,1,0,0,0,1|0,1,1]=4 122 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,1,0,0,0,1|0,1,1]=4 123 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [0,1,0,0,0,1|0,1,1]=4 124 B11R1.36 CC(=O)C(=O)c1ccccc1 T7450 [0,1,0,0,0,1|0,1,1]=4 125 B11R1.36 CC(O)C(=O)c1ccccc1 T29353 [0,1,0,0,0,1|0,1,0]=3 126 B11R1.36 C[C@H](O)[C@H](O)c1ccccc1 TN4002 [0,1,0,0,0,1|0,1,0]=3 127 B11R1.40 C/C(C=O)=C/c1ccccc1 T29898 [0,1,0,0,0,1|0,1,1]=4 128 B11R1.40 CC(Cc1ccccc1)NN T24631 [0,1,0,0,0,1|1,0,0]=3 129 B11R1.157 CC(=O)Nc1cccc(C)c1 T21117 [0,1,0,0,0,1|0,1,1]=4 130 B11R1.157 CC(=O)Nc1cccc(O)c1 T0914 [0,1,0,0,0,1|0,1,1]=4 131 B11R1.157 CC(=O)Oc1cccc(O)c1 T0339 [0,1,0,0,0,1|0,1,1]=4 132 B11R1.157 CC(N)Cc1cccc(O)c1 T50039 [0,1,0,0,0,1|1,0,0]=3 133 B11R1.157 OC1=CC=CC(CC(N)C)=C1 T31922 [0,1,0,0,0,1|1,0,0]=3 134 B11R1.509 CC(C)(N)Cc1ccccc1 T21436 [0,1,0,0,0,1|1,0,0]=3 135 B11R1.565 CC(C)c1cccc(=O)cc1 T19475 [0,1,0,0,0,1|1,0,0]=3 136 B11R1.3 CC(C)c1ccc(C=O)cc1 T7441 [0,2,0,0,0,0|1,0,0]=3 137 B11R1.3 CC(C)c1ccc(CO)cc1 T7442 [0,2,0,0,0,0|1,0,0]=3 138 B11R1.21 CC(=O)c1ccc(O)c(O)c1 T3734 [0,2,0,0,0,0|0,1,1]=4 139 B11R1.21 CC(C)C1=CC(=C(C=C1)O)O T9065 [0,2,0,0,0,0|1,0,0]=3 140 B11R1.21 CC(C)c1ccc(C)c(O)c1 T4S1990 [0,2,0,0,0,0|1,0,0]=3 141 B11R1.22 C/C(=N\O)c1ccc(O)cc1 T10143 [0,2,0,0,0,0|0,1,1]=4 142 B11R1.22 CCC(C)c1ccc(O)cc1 T12515 [0,2,0,0,0,0|1,0,0]=3 143 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,2,0,0,0,0|0,1,1]=4 144 B11R1.22 Clc1ccc(cc1)C(=O)CBr T8908 [0,2,0,0,0,0|0,1,1]=4 145 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,2,0,0,0,0|0,1,0]=3 146 B11R1.22 Oc1ccc(cc1)C(=O)CBr T7084 [0,2,0,0,0,0|0,1,1]=4 147 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [0,2,0,0,0,0|0,1,1]=4 148 B11R1.166 CC(=O)c1ccc(O)cc1O T3751 [0,2,0,0,0,0|0,1,1]=4 149 B11R1.166 CC(C)c1ccc(C)cc1O T3S0717 [0,2,0,0,0,0|1,0,0]=3 150 B11R1.12 NC/C(=C/Cl)c1ccccc1 T33265 [0,2,0,0,0,0|1,0,1]=4 151 B11R1.16 CC(/C=N/O)c1ccccc1 T29369 [0,2,0,0,0,0|0,1,0]=3 152 B11R1.16 CC(N=C=S)c1ccccc1 T27188 [0,2,0,0,0,0|0,0,1]=3 153 B11R1.16 CCCC(=O)c1ccccc1 T20324 [0,2,0,0,0,0|0,1,1]=4 154 B11R1.16 CCOC(=O)c1ccccc1 TN4020 [0,2,0,0,0,0|0,1,1]=4 155 B11R1.16 C[C@@H](C1=CC=CC=C1)N=C=S T27793 [0,2,0,0,0,0|0,0,1]=3 156 B11R1.16 C[C@H](C1=CC=CC=C1)N=C=S T19758 [0,2,0,0,0,0|0,0,1]=3 157 B11R1.16 ClCCC(=O)c1ccccc1 T1342 [0,2,0,0,0,0|0,1,1]=4 158 B11R1.23 CN(N=O)c1cccc(Cl)c1 T30065 [0,2,0,0,0,0|1,1,0]=4 159 B11R1.23 CN(N=O)c1cccc(F)c1 T30066 [0,2,0,0,0,0|1,1,0]=4 160 B11R1.23 COC(=O)c1cccc(O)c1 T33331 [0,2,0,0,0,0|0,1,1]=4 161 B11R1.23 OC(C#N)c1cccc(O)c1 T33176 [0,2,0,0,0,0|0,1,1]=4 162 B11R1.222 CCC(=O)c1ccccc1O T20371 [0,2,0,0,0,0|0,1,1]=4 163 B11R1.222 COC(=O)c1ccccc1N TN1925 [0,2,0,0,0,0|0,1,1]=4 164 B11R1.222 COC(=O)c1ccccc1O T0399 [0,2,0,0,0,0|0,1,1]=4 165 B11R1.155 CC(C)(O)c1cccc(Cl)c1 T30359 [0,2,0,0,0,0|0,1,0]=3 166 B11R1.159 C[C@@H](N)c1cccc(Cl)c1Cl T22956 [0,2,0,0,0,0|1,0,0]=3 167 B11R1.167 CC(=O)c1cc(O)ccc1O TCS2170 [0,2,0,0,0,0|0,1,1]=4 168 B11R1.266 CCc1cccc(c1)C(C)C T31110 [0,2,0,0,0,0|1,0,0]=3 169 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [0,0,0,1,0,1|1,0,0]=3 170 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [0,0,0,1,0,1|1,0,0]=3 171 B11R2.10 Nc1nc2ccccc2s1 T1347 [0,0,0,1,0,1|1,0,1]=4 172 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [0,0,0,1,0,1|0,1,1]=4 173 B11R2.10 Sc1nc2ccccc2s1 T19856 [0,0,0,1,0,1|1,0,1]=4 174 B11R2.1 Cc1c[nH]c2ccccc12 T5281 [0,1,0,1,0,0|1,0,1]=4 175 B11R2.1 O=C1CCc2ccccc12 T0564 [0,1,0,1,0,0|0,1,1]=4 176 B7R1.1 COc1ccoc1 TN2959 [1,0,0,0,1,0|2,0,0]=4 177 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [0,0,0,0,0,2|0,1,1]=4 178 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [0,0,0,0,0,2|0,1,1]=4 179 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [0,0,0,0,0,2|0,1,1]=4 180 B11R1.91 CC(=O)COc1ccccc1 T25944 [0,0,0,0,0,2|0,1,1]=4 181 B11R1.91 CC(=O)NCc1ccccc1 T5924 [0,0,0,0,0,2|0,1,1]=4 182 B11R1.91 CC(=O)OCc1ccccc1 T5615 [0,0,0,0,0,2|0,1,1]=4 183 B11R1.91 CC(C)=NNc1ccccc1 T29585 [0,0,0,0,0,2|1,0,1]=4