0 B11R1.22 C/C(=N\O)c1ccc(O)cc1 T10143 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.22 CCC(C)c1ccc(O)cc1 T12515 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.22 Oc1ccc(cc1)C(=O)C=O T32102 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.1 c1cc(ccc1CCN)O T3095 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [1,0,0,0,0,0|0,0,1]=2 10 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [1,0,0,0,0,0|1,0,1]=3 11 B10R1.13 CC(C)C1=CC=C(C)CC1 T7909 [1,0,0,0,0,0|0,0,3]=4 12 B10R1.13 CC(C)C1=CCC(C)=CC1 TN2031 [1,0,0,0,0,0|0,0,3]=4 13 B10R1.13 CC(C)C1CC=C(C)C=C1 TN6990 [1,0,0,0,0,0|0,0,3]=4 14 B10R1.13 CC(C)[C@H]1CC=C(C)C=C1 T8289 [1,0,0,0,0,0|0,0,3]=4 15 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [1,0,0,0,0,0|1,0,1]=3 17 B10R1.13 NC(=O)c1ccc(O)cc1 TN3041 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.15 C=CC(=O)c1ccccc1 T20607 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.15 CC(NN)c1ccccc1 T33268 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.15 N#C[C@@H](c1ccccc1)O T9158 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.15 NCC(O)c1ccccc1 T4873 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.15 O=CC(=O)c1ccccc1 T38465 [1,0,0,0,0,0|1,0,1]=3 25 B10R1.15 OC(C=C)c1ccccc1 T50007 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.15 OCC(O)c1ccccc1 T1346 [1,0,0,0,0,0|1,0,2]=4 27 B12R1.20 N[C@H](C(O)=O)c1ccc(F)cc1 T21102 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.20 N[C@H](C(O)=O)c1ccc(O)cc1 T4785 [0,1,0,0,0,0|2,0,0]=3 29 B12R1.20 OC(C(O)=O)c1ccc(O)cc1 T5263 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.1 CCc1ccc(O)cc1 T5883 [2,0,0,0,0,0|1,0,0]=3 31 B9R1.1 COc1ccc(F)cc1 T0528 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.1 COc1ccc(O)cc1 T0501 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.1 NCc1ccc(O)cc1 T21095 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.1 OCc1ccc(O)cc1 T3752 [2,0,0,0,0,0|1,0,1]=4 35 B9R1.1 Oc1ccc(C=C)cc1 T13509 [2,0,0,0,0,0|1,0,1]=4 36 B9R1.1 Oc1ccc(C=O)cc1 T2S1814 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.8 CNCc1ccccc1 T8016 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.8 NCCc1ccccc1 T2935 [2,0,0,0,0,0|1,0,1]=4 39 B9R1.8 NCCc1ccccc1 T7433 [2,0,0,0,0,0|1,0,1]=4 40 B9R1.8 O=CCc1ccccc1 TCS1857 [2,0,0,0,0,0|0,0,0]=2 41 B9R1.8 OCCc1ccccc1 T0011 [2,0,0,0,0,0|0,0,2]=4 42 B9R1.6 CC(=O)c1ccccc1 T7446 [2,0,0,0,0,0|0,0,1]=3 43 B9R1.6 C[C@H](O)c1ccccc1 T4784 [2,0,0,0,0,0|0,0,1]=3 44 B9R1.6 NC(=O)c1ccccc1 T6780 [2,0,0,0,0,0|1,0,1]=4 45 B9R1.6 OC(=O)c1ccccc1 T0833 [2,0,0,0,0,0|1,0,1]=4 46 B9R1.6 OP(=O)c1ccccc1 T20416 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [2,0,0,0,0,0|1,0,1]=4 48 B11R1.20 CC(=O)Nc1ccc(C)cc1 T33859 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.20 CC(=O)Nc1ccc(O)cc1 T0065 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.20 CC(=O)Oc1ccc(O)cc1 T8704 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.20 NC(=O)Nc1ccc(Cl)cc1 T20454 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.20 OC(=O)Cc1ccc(O)cc1 T3743 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.81 CCCc1ccc(C)cc1O T33238 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.83 COc1ccc(C=CC)cc1 T0014 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.83 COc1ccc(CC=C)cc1 T5649 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.83 COc1ccc(cc1)/C=C/C T0762 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.192 Oc1ccc(CC=C)cc1O TN1274 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.3 CC(C)c1ccc(C=O)cc1 T7441 [1,1,0,0,0,0|0,0,2]=4 59 B11R1.3 CC(C)c1ccc(CO)cc1 T7442 [1,1,0,0,0,0|0,0,1]=3 60 B11R1.3 COc1ccc(cc1)C(O)=O TCS0862 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.3 NCc1ccc(cc1)C(O)=O T1252 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.19 Cc1ccc(cc1)S(O)(=O)=O T19499 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.21 CC(=O)c1ccc(O)c(O)c1 T3734 [1,1,0,0,0,0|1,0,1]=4 64 B11R1.21 CC(C)C1=CC(=C(C=C1)O)O T9065 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.21 CC(C)c1ccc(C)c(O)c1 T4S1990 [1,1,0,0,0,0|0,0,1]=3 66 B11R1.21 Cc1ccc(cc1C)C(O)=O T19115 [1,1,0,0,0,0|1,0,1]=4 67 B11R1.166 CC(=O)c1ccc(C)cc1O Fr14298 [1,1,0,0,0,0|0,0,1]=3 68 B11R1.166 CC(=O)c1ccc(O)cc1O T3751 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.166 CC(C)c1ccc(C)cc1O T3S0717 [1,1,0,0,0,0|0,0,1]=3 70 B11R1.166 Cc1ccc(C(O)=O)c(O)c1 T22225 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.12 NC/C(=C/Cl)c1ccccc1 T33265 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.16 CC(/C=N/O)c1ccccc1 T29369 [1,1,0,0,0,0|0,0,1]=3 73 B11R1.16 CC(N=C=S)c1ccccc1 T27188 [1,1,0,0,0,0|0,1,1]=4 74 B11R1.16 C[C@@H](C1=CC=CC=C1)N=C=S T27793 [1,1,0,0,0,0|0,1,1]=4 75 B11R1.16 C[C@H](C1=CC=CC=C1)N=C=S T19758 [1,1,0,0,0,0|0,1,1]=4 76 B11R1.23 CN(N=O)c1cccc(Cl)c1 T30065 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.23 CN(N=O)c1cccc(F)c1 T30066 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.36 CC(=O)C(=O)c1ccccc1 T7450 [1,1,0,0,0,0|1,0,1]=4 79 B11R1.36 NC(C(O)=O)c1ccccc1 T13485 [1,1,0,0,0,0|1,0,0]=3 80 B11R1.36 OC(=O)C(=C)c1ccccc1 T0629 [1,1,0,0,0,0|0,0,2]=4 81 B11R1.36 OC(=O)C(=O)c1ccccc1 T8025 [1,1,0,0,0,0|1,0,1]=4 82 B11R1.36 OC(=O)C(S)c1ccccc1 T26271 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.36 OC(C(O)=O)c1ccccc1 T33320 [1,1,0,0,0,0|1,0,0]=3 84 B11R1.36 OC(C(O)=O)c1ccccc1 T4848 [1,1,0,0,0,0|1,0,0]=3 85 B11R1.36 OC(C([O-])=O)c1ccccc1 T30005 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.36 O[C@@H](C(O)=O)c1ccccc1 T2S0122 [1,1,0,0,0,0|1,0,0]=3 87 B13R1.133 C(=O)([C@@H](N)Cc1ccc(O)cc1)O T0493 [0,1,0,0,0,1|2,0,0]=4 88 B13R1.133 NC(Cc1ccc(Cl)cc1)C(O)=O T1447 [0,1,0,0,0,1|2,0,0]=4 89 B13R1.133 N[C@@H](Cc1ccc(F)cc1)C(O)=O T19725 [0,1,0,0,0,1|2,0,0]=4 90 B13R1.133 N[C@@H](Cc1ccc(F)cc1)C(O)=O T41274 [0,1,0,0,0,1|2,0,0]=4 91 B13R1.133 N[C@@H](Cc1ccc(O)cc1)C(O)=O TN1596 [0,1,0,0,0,1|2,0,0]=4 92 B13R1.133 N[C@H](Cc1ccc(O)cc1)C(O)=O TN1545 [0,1,0,0,0,1|2,0,0]=4 93 B13R1.133 OC(Cc1ccc(O)cc1)C(O)=O TQ0284 [0,1,0,0,0,1|2,0,0]=4 94 B13R1.133 O[C@@H](Cc1ccc(O)cc1)C(O)=O T39887 [0,1,0,0,0,1|2,0,0]=4 95 B13R1.1511 CCCC(C)c1ccc(C)cc1O T29414 [0,2,0,0,0,0|1,0,1]=4 96 B13R1.510 OC(C(O)=O)c1ccc(O)c(O)c1 T5229 [0,2,0,0,0,0|2,0,0]=4 97 B13R1.510 OC(C(O)=O)c1ccc(O)c(O)c1 TQ0135 [0,2,0,0,0,0|2,0,0]=4 98 B11R2.1 Cc1c[nH]c2ccccc12 T5281 [1,0,0,1,0,0|1,0,1]=4 99 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [1,0,0,1,0,0|1,0,1]=4 100 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [1,0,0,1,0,0|1,0,1]=4 101 B13R2.3683 Cc1ccc2nc(C)ccc2c1 T37784 [0,0,0,1,0,1|1,0,1]=4 102 B9R1.35 CC(=O)c1ccc(C)s1 T20602 [1,0,0,0,1,0|1,0,1]=4 103 B11R1.565 CC(C)c1cccc(=O)cc1 T19475 [1,0,0,0,0,1|1,0,1]=4 104 B11R1.40 C/C(C=O)=C/c1ccccc1 T29898 [1,0,0,0,0,1|0,0,1]=3 105 B11R1.40 CC(Cc1ccccc1)NN T24631 [1,0,0,0,0,1|2,0,0]=4