0 B11R1.91 CC(=O)CCC1=CC=CC=C1 TCS1709 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.91 CC(=O)NCc1ccccc1 T5924 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.91 CC(=O)OCc1ccccc1 T5615 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.91 CC(=O)\C=C\c1ccccc1 TCS1554 [0,0,0,0,0,0|1,0,2]=3 4 B11R1.91 O=C(O)CCc1ccccc1 T3731 [0,0,0,0,0,0|0,0,0]=0 5 B11R1.91 O=C(O)\C=C\c1ccccc1 T2740 [0,0,0,0,0,0|0,0,2]=2 6 B11R1.91 O=C(O)\C=C\c1ccccc1 T5646 [0,0,0,0,0,0|0,0,2]=2 7 B10R1.17 CNCCc1ccccn1 T0246 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.17 CNCCc1ccccn1 T0246L [1,0,0,0,0,0|3,0,0]=4 9 B10R1.17 CNCCc1ccccn1 T4195 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.17 NNCCc1ccccc1 T12441 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.17 O=C\C=C\c1ccccc1 T3S1553 [1,0,0,0,0,0|0,0,2]=3 12 B10R1.17 O=C\C=C\c1ccccc1 T4S1551 [1,0,0,0,0,0|0,0,2]=3 13 B10R1.17 OCCCC1=CC=CC=C1 T3754 [1,0,0,0,0,0|0,0,1]=2 14 B10R1.17 OC\C=C\C1=CC=CC=C1 T5S1550 [1,0,0,0,0,0|0,0,3]=4 15 B10R1.17 S=C=NCc1ccccc1 T1082 [1,0,0,0,0,0|1,1,1]=4 16 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [0,1,0,0,0,0|1,0,0]=2 17 B12R1.21 CN(C)CCc1ccc(O)cc1 T2890 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.21 O=C(O)CCc1ccc(O)cc1 T2862 [0,1,0,0,0,0|0,0,0]=1 19 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T2863 [0,1,0,0,0,0|0,0,2]=3 20 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 T7053 [0,1,0,0,0,0|0,0,2]=3 21 B12R1.27 COC(=O)\C=C\c1ccccc1 T5552 [0,1,0,0,0,0|0,0,2]=3 22 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O T3377 [0,1,0,0,0,0|0,0,0]=1 23 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)O TN1592 [0,1,0,0,0,0|0,0,0]=1 24 B12R1.43 N[C@H](Cc1ccccc1)C(=O)O T0689 [0,1,0,0,0,0|0,0,0]=1 25 B12R1.43 O=C(O)C(=O)Cc1ccccc1 T5251 [0,1,0,0,0,0|0,0,1]=2 26 B12R1.43 O=C(O)C(O)Cc1ccccc1 T4455 [0,1,0,0,0,0|0,0,0]=1 27 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 T5290 [0,1,0,0,0,0|0,0,0]=1 28 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 T5274 [0,1,0,0,0,0|0,0,0]=1 29 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 T4891 [0,1,0,0,0,0|0,0,2]=3 30 B12R1.125 O=C(O)CCc1ccccc1O T4892 [0,1,0,0,0,0|0,0,0]=1 31 B12R1.125 O=C(O)\C=C\c1ccccc1O T7991 [0,1,0,0,0,0|0,0,2]=3 32 B12R1.226 O=C(O)CCc1cccc(O)c1 T7437 [0,1,0,0,0,0|0,0,0]=1 33 B12R1.226 O=C(O)\C=C\c1cccc(O)c1 T7453 [0,1,0,0,0,0|0,0,2]=3 34 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,1,0,0|1,0,0]=2 35 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,1,0,0|0,0,0]=1 36 B12R2.24 O=c1ccc2ccccc2o1 T0775 [0,0,0,1,0,0|0,0,2]=3 37 B12R2.24 Oc1ccc2ccccc2c1 T0671 [0,0,0,1,0,0|1,0,2]=4 38 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,0,0,0,1,0|2,0,0]=3 39 B10R1.18 O=C(O)Cc1cccnc1 T1366 [0,0,0,0,1,0|1,0,0]=2 40 B10R1.66 CC(=O)OCc1ccco1 T8088 [0,0,0,0,1,0|3,0,0]=4 41 B12R1.252 O=C(O)CCCc1ccccc1 T5886 [0,0,0,0,0,1|0,0,0]=1 42 B12R1.252 O=C([O-])CCCc1ccccc1 T1535 [0,0,0,0,0,1|0,0,1]=2 43 B9R1.8 NCCC1=NC=CC=C1 T22501 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.8 NCCc1ccccc1 T2935 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.8 NCCc1ccccc1 T7433 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [2,0,0,0,0,0|0,0,0]=2 47 B9R1.8 OCCC1=CC=CC=C1 T0011 [2,0,0,0,0,0|0,0,0]=2 48 B9R1.8 OCCc1ccccn1 T0658 [2,0,0,0,0,0|1,0,0]=3 49 B11R1.1 COCCc1ccc(O)cc1 T0635 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.1 OCCCc1ccc(O)cc1 T3738 [1,1,0,0,0,0|0,0,1]=3 51 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [0,1,0,0,1,0|2,0,0]=4 52 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [0,1,0,0,1,0|2,0,0]=4 53 B11R1.20 O=C(O)Cc1ccc(O)cc1 T3743 [0,1,0,0,1,0|0,0,0]=2 54 B11R1.36 C=C(C(=O)O)c1ccccc1 T0629 [0,1,0,0,1,0|0,0,1]=3 55 B11R1.36 O=C(O)C(=O)c1ccccc1 T8025 [0,1,0,0,1,0|0,0,1]=3 56 B11R1.36 O=C(O)C(O)c1ccccc1 T4848 [0,1,0,0,1,0|0,0,0]=2 57 B11R1.36 O=C(O)[C@H](O)c1ccccc1 T2S0122 [0,1,0,0,1,0|0,0,0]=2 58 B11R1.86 O=C(O)Cc1ccccc1O T5308 [0,1,0,0,1,0|0,0,0]=2 59 B11R1.157 CC(=O)Nc1cccc(O)c1 T0914 [0,1,0,0,1,0|2,0,0]=4 60 B11R1.157 CC(=O)OC1=CC=CC(O)=C1 T0339 [0,1,0,0,1,0|2,0,0]=4 61 B11R1.157 O=C(O)Cc1cccc(O)c1 T4829 [0,1,0,0,1,0|0,0,0]=2 62 B11R1.509 O=S(=O)(F)Cc1ccccc1 T0789 [0,1,0,0,1,0|1,0,1]=4 63 B13R1.45 O=C(O)CNC(=O)c1ccccc1 T4815 [0,1,0,0,0,1|0,0,1]=3 64 B13R1.45 O=C(O)CNC(=O)c1ccccc1 T8365 [0,1,0,0,0,1|0,0,1]=3 65 B13R1.45 O=C(O)CNC(=O)c1cccnc1 T5228 [0,1,0,0,0,1|1,0,1]=4 66 B13R1.3 COc1ccc(CCC(C)=O)cc1 Fr12339 [0,2,0,0,0,0|1,0,0]=3 67 B13R1.3 COc1ccc(\C=C\C(=O)O)cc1 T5875 [0,2,0,0,0,0|0,0,2]=4 68 B13R1.14 COC(=O)\C=C\c1ccc(O)cc1 T3733 [0,2,0,0,0,0|0,0,2]=4 69 B13R1.133 NC(CC1=CC=C(Cl)C=C1)C(=O)O T1447 [0,2,0,0,0,0|0,0,0]=2 70 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(=O)O T0493 [0,2,0,0,0,0|0,0,0]=2 71 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(=O)O TN1596 [0,2,0,0,0,0|0,0,0]=2 72 B13R1.133 N[C@H](Cc1ccc(O)cc1)C(=O)O TN1545 [0,2,0,0,0,0|0,0,0]=2 73 B13R1.133 O=C(O)C(=O)Cc1ccc(O)cc1 T4858 [0,2,0,0,0,0|0,0,1]=3 74 B13R1.133 O=C(O)C(O)Cc1ccc(O)cc1 TQ0284 [0,2,0,0,0,0|0,0,0]=2 75 B13R1.164 O=C(O)CCc1ccc(O)cc1O T3737 [0,2,0,0,0,0|0,0,0]=2 76 B13R1.511 O=C(O)CCc1ccc(O)c(O)c1 T0539 [0,2,0,0,0,0|0,0,0]=2 77 B13R1.511 O=C(O)\C=C\c1ccc(O)c(O)c1 T2807 [0,2,0,0,0,0|0,0,2]=4 78 B13R1.42 CCOC(=O)\C=C\c1ccccc1 TN1624 [0,2,0,0,0,0|0,0,2]=4 79 B13R1.42 O=C(CCCl)NCc1ccccc1 T1249 [0,2,0,0,0,0|2,0,0]=4 80 B13R1.152 N[C@@H](c1ccccc1)[C@@H](O)C(=O)O T5683 [0,2,0,0,0,0|0,0,0]=2 81 B13R1.202 NC(Cc1ccccc1O)C(=O)O T1695 [0,2,0,0,0,0|0,0,0]=2 82 B13R1.713 NCC(CC(=O)O)c1ccccc1 T2990 [0,2,0,0,0,0|0,0,0]=2 83 B13R1.713 [C@H](CN)(CC(=O)O)c1ccccc1 T8639 [0,2,0,0,0,0|0,0,0]=2 84 B13R1.90 COc1ccccc1\C=C\C(=O)O T2S0973 [0,2,0,0,0,0|0,0,2]=4 85 B13R1.643 COc1cccc(CCC(=O)O)c1 T5272 [0,2,0,0,0,0|0,0,0]=2 86 B11R2.1 O=C1CCc2ccccc21 T0564 [1,0,0,1,0,0|0,0,0]=2 87 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [1,0,0,1,0,0|1,0,1]=4 88 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [1,0,0,1,0,0|1,0,1]=4 89 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [0,0,0,1,1,0|1,0,0]=3 90 B11R2.10 O=c1nc2ccccc2n1 T0662 [0,0,0,1,1,0|2,0,0]=4 91 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 T22398 [0,0,0,1,0,1|1,0,0]=3 92 B13R2.155 Cc1ccc2ccc(=O)oc2c1 T7934 [0,1,0,1,0,0|0,0,2]=4 93 B13R2.155 O=C1CCc2ccc(O)cc2N1 T5887 [0,1,0,1,0,0|1,0,0]=3 94 B13R2.155 O=c1ccc2ccc(O)cc2o1 T1693 [0,1,0,1,0,0|0,0,2]=4 95 B13R2.369 NC1=Cc2ccccc2OC1=O TN1243 [0,1,0,1,0,0|0,0,2]=4 96 B13R2.369 O=C1Oc2ccccc2C=C1O T8002 [0,1,0,1,0,0|0,0,2]=4 97 B13R2.328 O=c1cc(O)c2ccccc2o1 PDK0015 [0,1,0,1,0,0|0,0,2]=4 98 B13R2.328 O=c1nc(=O)c2ccccc2o1 T0258 [0,1,0,1,0,0|1,0,1]=4 99 B13R2.3683 Cc1ccc2oc(=O)ccc2c1 T5647 [0,1,0,1,0,0|0,0,2]=4 100 B13R2.3683 O=c1ccc2cc(O)ccc2o1 T2S0357 [0,1,0,1,0,0|0,0,2]=4 101 B9R1.6 CC(=O)c1ccccc1 T7446 [0,0,0,0,2,0|1,0,0]=3 102 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,0,0,0,2,0|1,0,1]=4 103 B9R1.6 N=C(N)c1ccccc1 T8362 [0,0,0,0,2,0|2,0,0]=4 104 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [0,0,0,0,2,0|1,0,0]=3 105 B9R1.6 NC(=O)C1=CC=CC=N1 T6942 [0,0,0,0,2,0|2,0,0]=4 106 B9R1.6 NC(=O)C1=CC=NC=C1 T0552 [0,0,0,0,2,0|2,0,0]=4 107 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [0,0,0,0,2,0|2,0,0]=4 108 B9R1.6 O=C(O)c1ccccc1 T0833 [0,0,0,0,2,0|0,0,0]=2 109 B9R1.6 O=C(O)c1ccccn1 T4850 [0,0,0,0,2,0|1,0,0]=3 110 B9R1.6 O=C(O)c1cccnc1 T0879 [0,0,0,0,2,0|1,0,0]=3 111 B9R1.6 O=C(O)c1ccncc1 Fr13756 [0,0,0,0,2,0|1,0,0]=3 112 B9R1.6 O=C(O)c1cnccn1 T0569 [0,0,0,0,2,0|2,0,0]=4 113 B9R1.6 O=C([O-])c1ccccc1 T8124 [0,0,0,0,2,0|0,0,1]=3 114 B9R1.6 O=C([O-])c1ccccn1 T4575 [0,0,0,0,2,0|1,0,1]=4 115 B13R1.337 CC(=O)OC\C=C\c1ccccc1 T5653 [0,0,0,0,0,2|1,0,1]=4 116 B13R1.337 O=C(O)CCCCc1ccccc1 T7458 [0,0,0,0,0,2|0,0,0]=2 117 B13R1.337 O=C(O)\C=C\C=C\c1ccccc1 T3006 [0,0,0,0,0,2|0,0,2]=4