0 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,0,0,0,0,0|0,0,0]=0 1 B10R1.18 O=C(O)Cc1cccnc1 T1366 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.8 NCCc1ccccc1 T2935 [1,0,0,0,0,0|2,0,1]=4 3 B9R1.8 NCCc1ccccc1 T7433 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.8 OCCC1=CC=CC=C1 T0011 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,1,0,0,0,0|1,0,0]=2 7 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [0,1,0,0,0,0|0,0,0]=1 8 B11R1.20 O=C(O)Cc1ccc(O)cc1 T3743 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.20 [C@H](C)(N)Cc1ccc(O)cc1 T8577 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.36 C=C(C(=O)O)c1ccccc1 T0629 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.36 O=C(O)C(=O)c1ccccc1 T8025 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.36 O=C(O)C(O)c1ccccc1 T4848 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.36 O=C(O)[C@H](O)c1ccccc1 T2S0122 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.86 O=C(O)Cc1ccccc1O T5308 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.157 CC(=O)Nc1cccc(O)c1 T0914 [0,1,0,0,0,0|1,0,0]=2 16 B11R1.157 CC(=O)OC1=CC=CC(O)=C1 T0339 [0,1,0,0,0,0|0,0,0]=1 17 B11R1.157 O=C(O)Cc1cccc(O)c1 T4829 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.509 O=S(=O)(F)Cc1ccccc1 T0789 [0,1,0,0,0,0|3,0,0]=4 19 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [0,0,0,1,0,0|2,0,1]=4 20 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [0,0,0,1,0,0|2,0,1]=4 21 B11R2.10 Nc1nc2ccccc2s1 T1347 [0,0,0,1,0,0|2,1,0]=4 22 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [0,0,0,1,0,0|1,0,0]=2 23 B11R2.10 O=c1nc2ccccc2n1 T0662 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.6 CC(=O)c1ccccc1 T7446 [0,0,0,0,1,0|0,0,0]=1 25 B9R1.6 CC(=O)c1cnccn1 T5596 [0,0,0,0,1,0|2,0,0]=3 26 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,0,0,0,1,0|0,0,2]=3 27 B9R1.6 N=C(N)c1ccccc1 T8362 [0,0,0,0,1,0|2,0,0]=3 28 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [0,0,0,0,1,0|1,0,0]=2 29 B9R1.6 NC(=O)C1=CC=CC=N1 T6942 [0,0,0,0,1,0|2,0,0]=3 30 B9R1.6 NC(=O)C1=CC=NC=C1 T0552 [0,0,0,0,1,0|2,0,0]=3 31 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [0,0,0,0,1,0|2,0,0]=3 32 B9R1.6 NC(=O)c1cnccn1 T1426 [0,0,0,0,1,0|3,0,0]=4 33 B9R1.6 NC(=S)C1=CC=NC=C1 T1365 [0,0,0,0,1,0|2,1,0]=4 34 B9R1.6 O=C(O)c1ccccc1 T0833 [0,0,0,0,1,0|1,0,0]=2 35 B9R1.6 O=C(O)c1ccccn1 T4850 [0,0,0,0,1,0|2,0,0]=3 36 B9R1.6 O=C(O)c1cccnc1 T0879 [0,0,0,0,1,0|2,0,0]=3 37 B9R1.6 O=C(O)c1ccncc1 Fr13756 [0,0,0,0,1,0|2,0,0]=3 38 B9R1.6 O=C(O)c1cnccn1 T0569 [0,0,0,0,1,0|3,0,0]=4 39 B9R1.6 O=C([O-])c1ccccc1 T8124 [0,0,0,0,1,0|1,0,0]=2 40 B9R1.6 O=C([O-])c1ccccn1 T4575 [0,0,0,0,1,0|2,0,0]=3 41 B11R1.91 CC(=O)CCC1=CC=CC=C1 TCS1709 [0,0,0,0,0,1|1,0,0]=2 42 B11R1.91 CC(=O)NCc1ccccc1 T5924 [0,0,0,0,0,1|1,0,0]=2 43 B11R1.91 CC(=O)OCc1ccccc1 T5615 [0,0,0,0,0,1|0,0,0]=1 44 B11R1.91 CC(=O)\C=C\c1ccccc1 TCS1554 [0,0,0,0,0,1|1,0,0]=2 45 B11R1.91 O=C(O)CCc1ccccc1 T3731 [0,0,0,0,0,1|2,0,0]=3 46 B11R1.91 O=C(O)\C=C\c1ccccc1 T2740 [0,0,0,0,0,1|2,0,0]=3 47 B11R1.91 O=C(O)\C=C\c1ccccc1 T5646 [0,0,0,0,0,1|2,0,0]=3 48 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [2,0,0,0,0,0|0,0,0]=2 49 B8R1.2 OCC1=CC=CC=C1 T0732 [2,0,0,0,0,0|0,0,2]=4 50 B10R1.15 C=CC(=O)C1=CC=CC=C1 T20607 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.17 O=C\C=C\c1ccccc1 T3S1553 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.17 O=C\C=C\c1ccccc1 T4S1551 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.17 OCCCC1=CC=CC=C1 T3754 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.17 OC\C=C\C1=CC=CC=C1 T5S1550 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.13 CC(=O)C1=CC=C(O)C=C1 T3750 [0,1,0,0,1,0|0,0,0]=2 56 B10R1.13 Cc1ccc(C(=O)O)cc1 Fr14438 [0,1,0,0,1,0|1,0,0]=3 57 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [0,1,0,0,1,0|2,0,0]=4 58 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [0,1,0,0,1,0|1,0,0]=3 59 B10R1.13 Nc1ccc(C(=O)O)cn1 T7919 [0,1,0,0,1,0|2,0,0]=4 60 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [0,1,0,0,1,0|1,0,0]=3 61 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [0,1,0,0,1,0|2,0,0]=4 62 B10R1.13 O=C1C=CC(C(=O)O)=CO1 T7962 [0,1,0,0,1,0|2,0,0]=4 63 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 T6781 [0,1,0,0,1,0|2,0,0]=4 64 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [0,1,0,0,1,0|0,0,0]=2 65 B10R1.61 Cc1ccccc1C(=O)O T8068 [0,1,0,0,1,0|1,0,0]=3 66 B10R1.61 NC(=O)C1=CC=CC=C1O T0004 [0,1,0,0,1,0|1,0,0]=3 67 B10R1.61 O=C(O)C1=NC=CC=C1S T12929 [0,1,0,0,1,0|2,0,0]=4 68 B10R1.61 O=C(O)c1ccccc1O T0649 [0,1,0,0,1,0|1,0,0]=3 69 B10R1.61 O=C(O)c1ncccc1O T5986 [0,1,0,0,1,0|2,0,0]=4 70 B10R1.61 O=C([O-])c1ccccc1O T0335 [0,1,0,0,1,0|1,0,0]=3 71 B10R1.61 O=C([O-])c1ccccc1[O-] T0424 [0,1,0,0,1,0|1,0,0]=3 72 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [0,1,0,0,1,0|2,0,0]=4 73 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [0,1,0,0,1,0|2,0,0]=4 74 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [0,1,0,0,1,0|2,0,0]=4 75 B10R1.113 Cc1cccc(C(=O)Cl)c1 T7850 [0,1,0,0,1,0|1,0,0]=3 76 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [0,1,0,0,1,0|2,0,0]=4 77 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [0,1,0,0,1,0|1,0,0]=3 78 B10R1.113 O=C(O)c1ccc[n+]([O-])c1 T0067 [0,1,0,0,1,0|2,0,0]=4 79 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [0,1,0,0,1,0|1,0,0]=3 80 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,1,0,0,0,1|1,0,0]=3 81 B12R1.21 O=C(O)CCc1ccc(O)cc1 T2862 [0,1,0,0,0,1|2,0,0]=4 82 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T2863 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T7053 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.27 COC(=O)\C=C\c1ccccc1 T5552 [0,1,0,0,0,1|1,0,0]=3 85 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O T3377 [0,1,0,0,0,1|2,0,0]=4 86 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O TN1592 [0,1,0,0,0,1|2,0,0]=4 87 B12R1.43 N[C@H](Cc1ccccc1)C(=O)O T0689 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.43 O=C(O)C(=O)Cc1ccccc1 T5251 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.43 O=C(O)C(O)Cc1ccccc1 T4455 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 T5290 [0,1,0,0,0,1|2,0,0]=4 91 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 T5274 [0,1,0,0,0,1|2,0,0]=4 92 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 T4891 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.125 O=C(O)CCc1ccccc1O T4892 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.125 O=C(O)\C=C\c1ccccc1O T7991 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.226 O=C(O)CCc1cccc(O)c1 T7437 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.226 O=C(O)\C=C\c1cccc(O)c1 T7453 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.4 COc1ccc(CC(=O)O)cc1 T5590 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.19 CC(=O)NC1=CC(O)=C(O)C=C1 T19175 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.19 O=C(O)Cc1ccc(O)c(O)c1 T4907 [0,2,0,0,0,0|2,0,0]=4 100 B12R1.20 N[C@H](C(=O)O)C1=CC=C(F)C=C1 T21102 [0,2,0,0,0,0|2,0,0]=4 101 B12R1.20 N[C@H](C(=O)O)c1ccc(O)cc1 T4785 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.20 O=C(O)C(O)c1ccc(O)cc1 T5263 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.49 COC(=O)Cc1ccc(O)cc1 TN1436 [0,2,0,0,0,0|1,0,0]=3 104 B12R1.106 CC1=CC=C(OS(=O)(=O)[O-])C=C1 T19498 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.225 N[C@H](C(=O)O)C1=CC=CC(O)=C1 T23259 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.225 O=C(O)C(O)c1cccc(O)c1 T7634 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.478 CCC(C(=O)O)c1ccccc1 T0631 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.75 CSc1ccccc1NC(C)=O T2031 [0,2,0,0,0,0|1,0,0]=3 109 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 TCS2070 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.438 COc1cccc(CC(=O)O)c1 Fr13883 [0,2,0,0,0,0|2,0,0]=4 111 B10R1.66 CC(=O)OCc1ccco1 T8088 [0,0,1,1,0,0|1,0,1]=4 112 B10R2.7 c1ccc2c(c1)CCO2 Fr14127 [1,0,0,1,0,0|0,0,1]=3 113 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,1,0,1|1,0,0]=3 114 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,1,0,1|2,0,0]=4 115 B12R2.24 O=c1ccc2ccccc2o1 T0775 [0,0,0,1,0,1|2,0,0]=4 116 B12R2.606 Nc1nc2cc(Cl)ccc2o1 T0922 [0,1,0,1,0,0|2,0,0]=4 117 B12R2.606 O=c1oc2cc(O)ccc2s1 T0515 [0,1,0,1,0,0|1,0,0]=3 118 B12R2.18 CC1C(=O)Nc2ccccc21 T0538 [0,1,0,1,0,0|1,0,0]=3 119 B12R2.18 O=C1Nc2ccccc2C1=O T6862 [0,1,0,1,0,0|1,0,1]=4 120 B8R1.7 O=C(O)c1ccco1 T5544 [0,0,0,0,2,0|2,0,0]=4 121 B8R1.7 O=C(O)c1ccoc1 T5277 [0,0,0,0,2,0|2,0,0]=4 122 B12R1.252 O=C(O)CCCc1ccccc1 T5886 [0,0,0,0,0,2|2,0,0]=4 123 B12R1.252 O=C([O-])CCCc1ccccc1 T1535 [0,0,0,0,0,2|2,0,0]=4