0 B10R1.15 C=CC(=O)c1ccccc1 T20607 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 CC(NN)c1ccccc1 T33268 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.15 CNC(=O)c1ccccc1 T12150 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 N#C[C@@H](c1ccccc1)O T9158 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.15 NCC(O)c1ccccc1 T4873 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.15 NNC(=S)c1ccccc1 T10513 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.15 O=CC(=O)c1ccccc1 T38465 [0,0,0,0,0,0|1,0,1]=2 7 B10R1.15 OC(C=C)c1ccccc1 T50007 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.15 OCC(O)c1ccccc1 T1346 [0,0,0,0,0,0|1,0,2]=3 9 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,0,0|0,0,1]=2 10 B9R1.6 CC(=O)c1cnccn1 T5596 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,0,0|0,0,1]=2 12 B9R1.6 NC(=N)c1ccccc1 T8362 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.6 NC(=O)c1ccccc1 T6780 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.6 NC(=O)c1ccccn1 T6942 [1,0,0,0,0,0|2,0,1]=4 15 B9R1.6 NC(=O)c1cccnc1 T0934 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.6 NC(=O)c1ccncc1 T0552 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [1,0,0,0,0,0|2,0,1]=4 18 B9R1.6 OB(O)c1ccccc1 T30355 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.6 OC(=O)c1ccccc1 T0833 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.6 OC(=O)c1ccccn1 T4850 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.6 OC(=O)c1cccnc1 T0879 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.6 OC(=O)c1ccncc1 Fr13756 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.6 OP(=O)c1ccccc1 T20416 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [1,0,0,0,0,0|1,0,1]=3 25 B9R1.6 [O-]C(=O)c1ccccn1 T4575 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.8 CCOc1ccccc1 T19753 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.8 CNCc1ccccc1 T8016 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.8 NCCc1ccccc1 T2935 [1,0,0,0,0,0|1,0,1]=3 29 B9R1.8 NCCc1ccccc1 T7433 [1,0,0,0,0,0|1,0,1]=3 30 B9R1.8 NCCc1ccccn1 T22501 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 O/N=C/c1ccccc1 T20350 [1,0,0,0,0,0|1,0,2]=4 32 B9R1.8 O=CCc1ccccc1 TCS1857 [1,0,0,0,0,0|0,0,0]=1 33 B9R1.8 OCCc1ccccc1 T0011 [1,0,0,0,0,0|0,0,2]=3 34 B9R1.8 OCCc1ccccn1 T0658 [1,0,0,0,0,0|1,0,2]=4 35 B11R1.12 NC/C(=C/Cl)c1ccccc1 T33265 [0,1,0,0,0,0|1,0,1]=3 36 B11R1.16 CC(/C=N/O)c1ccccc1 T29369 [0,1,0,0,0,0|0,0,1]=2 37 B11R1.16 CC(N=C=S)c1ccccc1 T27188 [0,1,0,0,0,0|0,1,1]=3 38 B11R1.16 C[C@@H](C1=CC=CC=C1)N=C=S T27793 [0,1,0,0,0,0|0,1,1]=3 39 B11R1.16 C[C@H](C1=CC=CC=C1)N=C=S T19758 [0,1,0,0,0,0|0,1,1]=3 40 B11R1.22 C/C(=N\O)c1ccc(O)cc1 T10143 [0,1,0,0,0,0|1,0,2]=4 41 B11R1.22 CCC(C)c1ccc(O)cc1 T12515 [0,1,0,0,0,0|1,0,1]=3 42 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.22 Oc1ccc(cc1)C(=O)C=O T32102 [0,1,0,0,0,0|1,0,1]=3 44 B11R1.23 CN(N=O)c1cccc(Cl)c1 T30065 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.23 CN(N=O)c1cccc(F)c1 T30066 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.23 OC(C#N)c1cccc(O)c1 T33176 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.36 CC(=O)C(=O)c1ccccc1 T7450 [0,1,0,0,0,0|1,0,1]=3 48 B11R1.36 C[C@H](O)[C@H](O)c1ccccc1 TN4002 [0,1,0,0,0,0|1,0,2]=4 49 B11R1.36 NC(C(O)=O)c1ccccc1 T13485 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.36 OC(=O)C(=C)c1ccccc1 T0629 [0,1,0,0,0,0|0,0,2]=3 51 B11R1.36 OC(=O)C(=O)c1ccccc1 T8025 [0,1,0,0,0,0|1,0,1]=3 52 B11R1.36 OC(=O)C(S)c1ccccc1 T26271 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.36 OC(C(O)=O)c1ccccc1 T33320 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.36 OC(C(O)=O)c1ccccc1 T4848 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.36 OC(C([O-])=O)c1ccccc1 T30005 [0,1,0,0,0,0|1,0,0]=2 56 B11R1.36 O[C@@H](C(O)=O)c1ccccc1 T2S0122 [0,1,0,0,0,0|1,0,0]=2 57 B11R2.1 Cc1c[nH]c2ccccc12 T5281 [0,0,0,1,0,0|1,0,1]=3 58 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [0,0,0,1,0,0|1,0,1]=3 59 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [0,0,0,1,0,0|1,0,1]=3 60 B11R1.40 C/C(C=O)=C/c1ccccc1 T29898 [0,0,0,0,0,1|0,0,1]=2 61 B11R1.40 C=CC(Nc1ccccc1)=O T9322 [0,0,0,0,0,1|2,0,1]=4 62 B11R1.40 CC(Cc1ccccc1)NN T24631 [0,0,0,0,0,1|2,0,0]=3 63 B8R1.2 NCc1ccccc1 TN3497 [2,0,0,0,0,0|1,0,0]=3 64 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.2 O=Cc1ccccc1 TWO2659 [2,0,0,0,0,0|0,0,0]=2 66 B8R1.2 OCc1ccccc1 T0732 [2,0,0,0,0,0|0,0,1]=3 67 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|1,0,1]=4 68 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|1,0,1]=4 69 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [1,1,0,0,0,0|0,0,1]=3 70 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [1,1,0,0,0,0|0,0,1]=3 71 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.28 NS(=O)(=O)c1ccccc1 T6781 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.28 OS(=O)(=O)c1ccccc1 T20417 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.61 CC(=O)c1ccccc1C T36788 [1,1,0,0,0,0|0,0,1]=3 79 B10R1.61 CC(=O)c1ccccc1Cl T20449 [1,1,0,0,0,0|0,0,1]=3 80 B10R1.61 CC(=O)c1ccccc1O TCS1856 [1,1,0,0,0,0|0,0,1]=3 81 B10R1.61 Cc1ccccc1C(O)=O T8068 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.61 NC(=O)c1ccccc1O T0004 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.61 OC(=O)c1ccccc1I T20881 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.61 OC(=O)c1ccccc1O T0649 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.61 OC(=O)c1ccccc1O T27597 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.61 Oc1ccccc1C([O-])=O T0335 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.61 Oc1ccccc1C([O-])=O T20668 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.113 CC(=C)c1cccc(C)c1 T33400 [1,1,0,0,0,0|0,0,1]=3 89 B10R1.113 CC(=O)c1cccc(O)c1 T20389 [1,1,0,0,0,0|0,0,1]=3 90 B10R1.113 CC(C)c1cccc(C)c1 TN6950 [1,1,0,0,0,0|0,0,1]=3 91 B10R1.113 CC(O)c1cccc(N)c1 T21106 [1,1,0,0,0,0|0,0,1]=3 92 B10R1.113 CN(C)c1cccc(C)c1 T21088 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.113 Cc1cccc(c1)C(Cl)=O T7850 [1,1,0,0,0,0|1,0,1]=4 94 B10R1.113 Fc1cccc(c1)C(Cl)=O T21186 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.113 NC(=O)c1cccc(F)c1 T21178 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.113 NC(=O)c1cccc(I)c1 T21211 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.113 OC(=O)c1cccc(O)c1 T4840 [1,1,0,0,0,0|1,0,1]=4 99 B10R1.113 Oc1cccc(c1)C([O-])=O T21204 [1,1,0,0,0,0|1,0,1]=4 100 B10R1.113 [O-]C(=O)c1cccc(I)c1 T30402 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.113 [O-][N+](=O)c1cccc(F)c1 T21175 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|1,0,1]=4 104 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|0,0,2]=4 105 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [1,1,0,0,0,0|1,0,1]=4 106 B10R1.1 c1cc(ccc1CCN)O T3095 [1,1,0,0,0,0|1,0,1]=4 107 B10R1.4 CSCc1ccccc1O T33357 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.4 Oc1ccccc1CC=C T20472 [1,1,0,0,0,0|1,0,0]=3 109 B10R1.10 Cc1cccc(CC#N)c1 T33456 [1,1,0,0,0,0|1,0,1]=4 110 B10R1.10 NCCc1cccc(O)c1 T11937 [1,1,0,0,0,0|1,0,1]=4 111 B10R1.10 NCCc1cccc(O)c1 T11937L [1,1,0,0,0,0|1,0,1]=4 112 B10R1.10 NNCc1cccc(O)c1 T29406 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.17 CCOCc1ccccc1 T36790 [1,1,0,0,0,0|1,0,1]=4 114 B10R1.17 NNCCc1ccccc1 T12441 [1,1,0,0,0,0|1,0,1]=4 115 B10R1.17 NNCCc1ccccc1 T50010 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.17 O=C/C=C/c1ccccc1 T3S1553 [1,1,0,0,0,0|0,0,1]=3 117 B10R1.17 O=CC=Cc1ccccc1 T4S1551 [1,1,0,0,0,0|0,0,1]=3 118 B10R1.17 O=CCCc1ccccc1 T20312 [1,1,0,0,0,0|0,0,0]=2 119 B10R1.17 OC/C=C/c1ccccc1 TN2982 [1,1,0,0,0,0|0,0,2]=4 120 B10R1.17 OCC=Cc1ccccc1 T5S1550 [1,1,0,0,0,0|0,0,2]=4 121 B10R1.17 OCCCc1ccccc1 T3754 [1,1,0,0,0,0|0,0,2]=4 122 B10R1.17 OCCOc1ccccc1 T20293 [1,1,0,0,0,0|0,0,2]=4 123 B10R1.17 S=C=NCc1ccccc1 T1082 [1,1,0,0,0,0|0,1,1]=4 124 B10R1.18 C1=NC=CC=C1CC(O)=O T19128 [1,1,0,0,0,0|1,0,0]=3 125 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,1,0,0,0,0|1,0,0]=3 126 B10R1.18 CC(=S)Nc1ccccc1 T20263 [1,1,0,0,0,0|1,1,0]=4 127 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,1,0,0,0,0|1,0,1]=4 128 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,1,0,0,0,0|1,0,1]=4 129 B10R1.18 OC(=O)Cc1cccnc1 T1366 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.23 N[C@H](C(O)=O)c1ccsc1 T38311 [0,1,0,0,1,0|2,0,0]=4 131 B12R1.32 NC(CC=C)Cc1ccccc1 T25044 [0,1,0,0,0,1|2,0,0]=4 132 B12R1.43 C(=O)([C@H](N)Cc1ccccc1)O T0689 [0,1,0,0,0,1|1,0,0]=3 133 B12R1.43 C/C(=C\c1ccccc1)[N+]([O-])=O T29310 [0,1,0,0,0,1|1,0,1]=4 134 B12R1.43 CC(Cc1ccccc1)N(C)N T28024 [0,1,0,0,0,1|2,0,0]=4 135 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O TN1592 [0,1,0,0,0,1|1,0,0]=3 136 B12R1.43 OC(=O)C(=O)Cc1ccccc1 T5251 [0,1,0,0,0,1|1,0,1]=4 137 B12R1.43 OC(=O)C(=O)Nc1ccccc1 T33837 [0,1,0,0,0,1|1,0,1]=4 138 B12R1.43 OC(Cc1ccccc1)C(O)=O T4455 [0,1,0,0,0,1|1,0,0]=3 139 B12R1.43 O[C@@H](Cc1ccccc1)C(O)=O T5290 [0,1,0,0,0,1|1,0,0]=3 140 B12R1.43 O[C@H](Cc1ccccc1)C(O)=O T5274 [0,1,0,0,0,1|1,0,0]=3 141 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(O)=O T40376 [0,1,0,0,0,1|1,0,0]=3 142 B12R1.43 [O-]C(=O)C(=O)Cc1ccccc1 T4891 [0,1,0,0,0,1|1,0,1]=4 143 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N T3377 [0,1,0,0,0,1|1,0,0]=3 144 B12R1.194 CNC(C)(C)Cc1ccccc1 T33287 [0,1,0,0,0,1|2,0,0]=4 145 B12R1.253 CC(C)(C(N)=O)c1ccccc1 T32110 [0,2,0,0,0,0|0,0,0]=2 146 B12R1.253 CC(O)(C(N)=O)c1ccccc1 T25117 [0,2,0,0,0,0|0,0,0]=2 147 B12R1.478 CCC(C(O)=O)c1ccccc1 T0631 [0,2,0,0,0,0|0,0,0]=2 148 B12R1.107 CC(=O)CC(=O)c1ccccc1 T20345 [0,2,0,0,0,0|1,0,1]=4 149 B12R1.107 CC(CC(O)=O)c1ccccc1 T19125 [0,2,0,0,0,0|0,0,0]=2 150 B12R1.20 N[C@H](C(O)=O)c1ccc(F)cc1 T21102 [0,2,0,0,0,0|1,0,0]=3 151 B12R1.20 N[C@H](C(O)=O)c1ccc(O)cc1 T4785 [0,2,0,0,0,0|1,0,0]=3 152 B12R1.20 OC(C(O)=O)c1ccc(O)cc1 T5263 [0,2,0,0,0,0|1,0,0]=3 153 B12R1.225 CC(C(O)=O)c1cccc(O)c1 T29313 [0,2,0,0,0,0|0,0,0]=2 154 B12R1.225 CC(N)C(C)c1cccc(Cl)c1 T33976 [0,2,0,0,0,0|1,0,1]=4 155 B12R1.225 N[C@H](C(O)=O)C1=CC(O)=CC=C1 T23291 [0,2,0,0,0,0|1,0,0]=3 156 B12R1.225 OC(C(O)=O)c1cccc(O)c1 T7634 [0,2,0,0,0,0|1,0,0]=3 157 B12R1.225 OC1=CC([C@@H](C(O)=O)N)=CC=C1 T23259 [0,2,0,0,0,0|1,0,0]=3 158 B12R1.564 C[C@H](c1ccccc1)C(C)(C)N T25935 [0,2,0,0,0,0|1,0,1]=4 159 B10R2.7 C1Cc2ccccc2O1 Fr14127 [1,0,0,1,0,0|0,0,2]=4 160 B10R2.7 c1cc2ccccc2[nH]1 T4799 [1,0,0,1,0,0|1,0,1]=4 161 B12R2.18 O=C1Nc2ccccc2C1=O T6862 [0,0,0,1,0,1|1,0,1]=4 162 B12R2.24 CC1CCc2ccccc2N1 T20448 [0,0,0,1,0,1|1,0,1]=4 163 B12R2.1 NCc1c[nH]c2ccccc12 T19373 [0,1,0,1,0,0|1,0,1]=4 164 B12R2.1 O=Cc1c[nH]c2ccccc12 T8105 [0,1,0,1,0,0|0,0,2]=4 165 B12R2.1 O=Cc1coc2ccccc12 T7973 [0,1,0,1,0,0|0,0,2]=4 166 B12R2.1 OCc1c[nH]c2ccccc12 T2947 [0,1,0,1,0,0|1,0,1]=4 167 B8R1.7 CC(=O)[c-]1cccc1 T20583 [1,0,0,0,1,0|0,0,2]=4 168 B8R1.7 CC(=O)c1cccs1 T29331 [1,0,0,0,1,0|1,0,1]=4