0 B12R1.107 CC(=O)CC(=O)c1ccccc1 T20345 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.107 CC(C)OC(=O)c1ccccc1 T32225 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.107 CC(CC(O)=O)c1ccccc1 T19125 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.16 CC(/C=N/O)c1ccccc1 T29369 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.16 CC(N=C=S)c1ccccc1 T27188 [1,0,0,0,0,0|1,1,1]=4 5 B11R1.16 CCOC(=O)c1ccccc1 TN4020 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.16 C[C@@H](C1=CC=CC=C1)N=C=S T27793 [1,0,0,0,0,0|1,1,1]=4 7 B11R1.16 C[C@H](C1=CC=CC=C1)N=C=S T19758 [1,0,0,0,0,0|1,1,1]=4 8 B11R1.91 CC(=O)/C=C/c1ccccc1 TCS1554 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.91 CC(=O)C=Cc1ccccc1 TN6993 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.91 CC(=O)COc1ccccc1 T25944 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.91 CC(=O)NCc1ccccc1 T5924 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.91 CC(=O)OCc1ccccc1 T5615 [1,0,0,0,0,0|0,0,0]=1 14 B11R1.91 CC(C)=NNc1ccccc1 T29585 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.91 NC(=O)NCc1ccccc1 T21213 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.91 NC(=O)N[Hg]c1ccccc1 T28402 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T13669 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.91 O=C(N)\C=C\C1=CC=CC=C1 T20050 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.91 OC(=O)/C=C/c1ccccc1 T2740 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.91 OC(=O)CCc1ccccc1 T3731 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.91 OC(C=Cc1ccccc1)=O T5646 [1,0,0,0,0,0|2,0,1]=4 22 B13R1.152 N[C@H]([C@@H](O)C(O)=O)c1ccccc1 T5683 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.713 NCC(CC(O)=O)c1ccccc1 T2990 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.713 [C@H](CN)(CC(O)=O)c1ccccc1 T8639 [0,1,0,0,0,0|2,0,0]=3 25 B13R2.10 OC1=NN(CC1)c2ccccc2 T22398 [0,0,0,1,0,0|2,0,1]=4 26 B11R1.36 CC(=O)C(=O)c1ccccc1 T7450 [0,0,0,0,1,0|1,0,1]=3 27 B11R1.36 C[C@H](O)[C@H](O)c1ccccc1 TN4002 [0,0,0,0,1,0|1,0,2]=4 28 B11R1.36 NC(C(O)=O)c1ccccc1 T13485 [0,0,0,0,1,0|2,0,0]=3 29 B11R1.36 OC(=O)C(=C)c1ccccc1 T0629 [0,0,0,0,1,0|1,0,2]=4 30 B11R1.36 OC(=O)C(=O)c1ccccc1 T8025 [0,0,0,0,1,0|2,0,1]=4 31 B11R1.36 OC(=O)C(S)c1ccccc1 T26271 [0,0,0,0,1,0|2,0,0]=3 32 B11R1.36 OC(C(O)=O)c1ccccc1 T33320 [0,0,0,0,1,0|2,0,0]=3 33 B11R1.36 OC(C(O)=O)c1ccccc1 T4848 [0,0,0,0,1,0|2,0,0]=3 34 B11R1.36 OC(C([O-])=O)c1ccccc1 T30005 [0,0,0,0,1,0|2,0,0]=3 35 B11R1.36 O[C@@H](C(O)=O)c1ccccc1 T2S0122 [0,0,0,0,1,0|2,0,0]=3 36 B13R1.45 OC(C1=CC=CC=C1)COC(N)=O T26233 [0,0,0,0,0,1|2,0,0]=3 37 B10R1.15 CC(NN)c1ccccc1 T33268 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.15 O=CC(=O)c1ccccc1 T38465 [2,0,0,0,0,0|1,0,1]=4 39 B10R1.15 OC(C=C)c1ccccc1 T50007 [2,0,0,0,0,0|1,0,1]=4 40 B10R1.17 CCOCc1ccccc1 T36790 [2,0,0,0,0,0|0,0,1]=3 41 B10R1.17 O=C/C=C/c1ccccc1 T3S1553 [2,0,0,0,0,0|1,0,1]=4 42 B10R1.17 O=CC=Cc1ccccc1 T4S1551 [2,0,0,0,0,0|1,0,1]=4 43 B10R1.17 O=CCCc1ccccc1 T20312 [2,0,0,0,0,0|1,0,0]=3 44 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.21 CC(=O)NCc1ccc(Cl)nc1 T37196 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.21 CC(=O)OCc1ccc(C)cc1 T20468 [1,1,0,0,0,0|0,0,0]=2 47 B12R1.21 CC(=O)OCc1ccc(Cl)cc1 T33897 [1,1,0,0,0,0|0,0,0]=2 48 B12R1.21 OC(=O)CCc1ccc(O)cc1 T2862 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.27 CCC(=O)O[Hg]c1ccccc1 T34024 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.27 COC(=O)/C=C/c1ccccc1 T5552 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.27 COC(=O)C=Cc1ccccc1 TN6703 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.27 COC(=O)CCc1ccccc1 T9513 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.43 C(=O)([C@H](N)Cc1ccccc1)O T0689 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O TN1592 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.43 OC(=O)C(=O)Cc1ccccc1 T5251 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.43 OC(Cc1ccccc1)C(O)=O T4455 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.43 O[C@@H](Cc1ccccc1)C(O)=O T5290 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.43 O[C@H](Cc1ccccc1)C(O)=O T5274 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(O)=O T40376 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.43 [O-]C(=O)C(=O)Cc1ccccc1 T4891 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N T3377 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.125 OC(=O)CCc1ccccc1O T4892 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.226 OC(=O)CCc1cccc(O)c1 T7437 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.20 N[C@H](C(O)=O)c1ccc(F)cc1 T21102 [0,1,0,0,1,0|2,0,0]=4 65 B12R1.20 N[C@H](C(O)=O)c1ccc(O)cc1 T4785 [0,1,0,0,1,0|2,0,0]=4 66 B12R1.20 OC(C(O)=O)c1ccc(O)cc1 T5263 [0,1,0,0,1,0|2,0,0]=4 67 B12R1.225 CC(C(O)=O)c1cccc(O)c1 T29313 [0,1,0,0,1,0|1,0,0]=3 68 B12R1.225 CC(N)C(C)c1cccc(Cl)c1 T33976 [0,1,0,0,1,0|1,0,1]=4 69 B12R1.225 N[C@H](C(O)=O)C1=CC(O)=CC=C1 T23291 [0,1,0,0,1,0|2,0,0]=4 70 B12R1.225 OC(C(O)=O)c1cccc(O)c1 T7634 [0,1,0,0,1,0|2,0,0]=4 71 B12R1.225 OC1=CC([C@@H](C(O)=O)N)=CC=C1 T23259 [0,1,0,0,1,0|2,0,0]=4 72 B12R1.253 CC(C)(C(N)=O)c1ccccc1 T32110 [0,1,0,0,1,0|1,0,0]=3 73 B12R1.253 CC(O)(C(N)=O)c1ccccc1 T25117 [0,1,0,0,1,0|1,0,0]=3 74 B12R1.478 CCC(C(O)=O)c1ccccc1 T0631 [0,1,0,0,1,0|1,0,0]=3 75 B12R1.564 C[C@H](c1ccccc1)C(C)(C)N T25935 [0,1,0,0,1,0|1,0,1]=4 76 B14R1.160 NC(=O)OC[C@@H](O)c1ccccc1Cl T30748 [0,1,0,0,0,1|2,0,0]=4 77 B14R1.160 O[C@H](C1=CC=CC=C1Cl)COC(N)=O T5517 [0,1,0,0,0,1|2,0,0]=4 78 B14R1.540 NC(=O)OCC(CO)c1ccccc1 T34571 [0,1,0,0,0,1|1,0,0]=3 79 B14R1.1019 NCC(CC(O)=O)c1ccc(Cl)cc1 T1065 [0,2,0,0,0,0|2,0,0]=4 80 B14R1.1019 NC[C@@H](CC(O)=O)c1ccc(Cl)cc1 T20962 [0,2,0,0,0,0|2,0,0]=4 81 B14R1.1019 NC[C@@H](CC(O)=O)c1ccc(F)cc1 T30810 [0,2,0,0,0,0|2,0,0]=4 82 B14R1.1019 NC[C@H](CC(O)=O)c1ccc(Cl)cc1 T17306 [0,2,0,0,0,0|2,0,0]=4 83 B14R1.1019 NC[C@H](CC(O)=O)c1ccc(Cl)cc1 T6355 [0,2,0,0,0,0|2,0,0]=4 84 B14R1.1019 [C@@H](CN)(CC(O)=O)c1ccc(Cl)cc1 T8630 [0,2,0,0,0,0|2,0,0]=4 85 B14R1.3642 CCC(O)(CC(N)=O)c1ccccc1 T50100 [0,2,0,0,0,0|2,0,0]=4 86 B14R1.6455 CC(=O)O[C@H](C(O)=O)c1ccccc1 T20120 [0,2,0,0,0,0|0,0,1]=3 87 B12R2.24 O=C1CCc2ccccc2C1 T0660 [1,0,0,1,0,0|1,0,0]=3 88 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [1,0,0,1,0,0|2,0,0]=4 89 B12R2.18 CC1C(=O)Nc2ccccc12 T0538 [0,0,0,1,1,0|1,0,0]=3 90 B14R2.738 CC1CC(=O)Nc2ccccc2N1 T27068 [0,0,0,1,0,1|2,0,0]=4 91 B14R2.738 CC1CC(=O)Nc2ccccc2S1 T50014 [0,0,0,1,0,1|2,0,0]=4 92 B14R2.21 CC1CCOC(O1)c2ccccc2 T29279 [0,1,0,1,0,0|1,0,1]=4 93 B14R2.7724 Cn1c2ccccc2c(=O)oc1=O T16239 [0,1,0,1,0,0|1,0,1]=4 94 B14R2.4514 CN1[C@@H](CCC1=O)c2cccnc2 T1202 [0,1,0,1,0,0|2,0,0]=4 95 B10R1.18 C1=NC=CC=C1CC(O)=O T19128 [1,0,0,0,1,0|2,0,0]=4 96 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,0,0,1,0|0,0,0]=2 97 B10R1.18 CC(=S)Nc1ccccc1 T20263 [1,0,0,0,1,0|1,1,0]=4 98 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,0,0,0,1,0|1,0,1]=4 99 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,0,0,0,1,0|1,0,1]=4 100 B10R1.18 OC(=O)Cc1cccnc1 T1366 [1,0,0,0,1,0|2,0,0]=4 101 B10R1.66 CC(=O)OCc1ccco1 T8088 [1,0,0,0,1,0|1,0,0]=3 102 B12R1.252 CC(=O)OCCc1ccccc1 TN6877 [1,0,0,0,0,1|0,0,0]=2 103 B12R1.252 OC(=O)CCCc1ccccc1 T5886 [1,0,0,0,0,1|2,0,0]=4 104 B12R1.252 [O-]C(=O)CCCc1ccccc1 T1535 [1,0,0,0,0,1|2,0,0]=4