0 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 A17534 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 L19599 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.348 CC(C)OC(=O)Cc1ccccc1 L07385 [0,0,0,0,0,0|0,0,0]=0 3 B13R1.348 CC(C)OC(=O)Nc1ccccc1 B24998 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.32 CCOC(=O)Cc1ccccc1 A19356 [1,0,0,0,0,0|0,0,0]=1 5 B12R1.32 CCOC(=O)Cc1ccccn1 B23988 [1,0,0,0,0,0|1,0,0]=2 6 B12R1.32 CCOC(=O)Cc1cccnc1 A14768 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.32 CCOC(=O)Cc1ccncc1 A14550 [1,0,0,0,0,0|1,0,0]=2 8 B12R1.32 CCOC(=O)Nc1ccccc1 L05027 [1,0,0,0,0,0|1,0,0]=2 9 B12R1.252 CC(=O)OCCc1ccccc1 B21238 [1,0,0,0,0,0|1,0,2]=4 10 B12R1.252 CC(CNCc1ccccc1)O H50329 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.252 C[C@@H](COCc1ccccc1)O H60523 [1,0,0,0,0,0|3,0,0]=4 12 B14R1.433 CC(C)(C)OC(=O)Nc1ccccc1 H55232 [0,1,0,0,0,0|1,0,0]=2 13 B14R1.433 CC(C)(C)OC(=O)Nc1ccccn1 H30741 [0,1,0,0,0,0|2,0,0]=3 14 B14R1.433 CC(C)(C)OC(=O)Nc1ccncc1 H30820 [0,1,0,0,0,0|2,0,0]=3 15 B14R1.433 CC(C)(C)OC(=O)Oc1ccccc1 H60867 [0,1,0,0,0,0|1,0,0]=2 16 B14R2.598 c1ccc(cc1)C2CC(=O)OC2=O B24418 [0,0,0,1,0,0|1,0,1]=3 17 B12R1.43 CC(=C)C(=O)Oc1ccccc1 L11978 [0,0,0,0,1,0|1,0,2]=4 18 B12R1.43 CC(C)C(=O)Cc1ccccc1 L07176 [0,0,0,0,1,0|0,0,0]=1 19 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] A14027 [0,0,0,0,1,0|2,0,1]=4 20 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] H56767 [0,0,0,0,1,0|2,0,1]=4 21 B12R1.107 CC(=O)CC(=O)c1ccccc1 A14537 [0,0,0,0,1,0|2,0,1]=4 22 B12R1.107 C[C@@H](c1ccccc1)NC(C)C L18355 [0,0,0,0,1,0|2,0,1]=4 23 B12R1.107 C[C@H](c1ccccc1)NC(C)C L18354 [0,0,0,0,1,0|2,0,1]=4 24 B12R1.107 C\C(=C/C(=O)c1ccccc1)\[O-] A16051 [0,0,0,0,1,0|2,0,1]=4 25 B14R1.423 CC(C)COC(=O)Cc1ccccc1 A19004 [0,0,0,0,0,1|0,0,0]=1 26 B14R1.818 CC(=O)CC(=O)OCc1ccccc1 A14915 [0,0,0,0,0,1|2,0,1]=4 27 B14R1.818 CC(C)CC(=O)OCc1ccccc1 B24852 [0,0,0,0,0,1|1,0,0]=2 28 B14R1.818 CC(C)OC(=O)\C=C\c1ccccc1 L07824 [0,0,0,0,0,1|0,0,1]=2 29 B11R1.28 CCCCCc1ccccc1 A15734 [2,0,0,0,0,0|1,0,1]=4 30 B11R1.28 CCO\C=N\c1ccccc1 43788 [2,0,0,0,0,0|1,0,0]=3 31 B11R1.40 CCC(=O)Nc1ccccc1 H31832 [2,0,0,0,0,0|1,0,0]=3 32 B11R1.40 CCN(C)Cc1ccccc1 L08520 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.40 COC(=O)Cc1ccccc1 A15537 [2,0,0,0,0,0|0,0,0]=2 34 B11R1.40 COC(=O)Nc1cccnc1 H63484 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.40 COC(=O)Oc1ccccc1 B25232 [2,0,0,0,0,0|1,0,0]=3 36 B11R1.40 c1ccc(cc1)OC(=O)CBr H60464 [2,0,0,0,0,0|2,0,0]=4 37 B13R1.19 CCOC(=O)Cc1ccc(cc1)Br B22165 [1,1,0,0,0,0|0,0,0]=2 38 B13R1.19 CCOC(=O)Cc1ccc(cc1)C A16718 [1,1,0,0,0,0|0,0,0]=2 39 B13R1.19 CCOC(=O)Cc1ccc(cc1)N A11529 [1,1,0,0,0,0|0,0,0]=2 40 B13R1.19 CCOC(=O)Cc1ccc(cc1)O B21832 [1,1,0,0,0,0|0,0,0]=2 41 B13R1.20 CCOC(=O)Cc1cccc(c1)C A18497 [1,1,0,0,0,0|0,0,0]=2 42 B13R1.44 CCCCC(=O)Cc1ccccc1 A10944 [1,1,0,0,0,0|1,0,0]=3 43 B13R1.44 c1ccc(cc1)NC(=O)CCCCl H59762 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.47 CCOC(=O)C(=C)c1ccccc1 B23913 [1,1,0,0,0,0|0,0,1]=3 45 B13R1.47 CCOC(=O)C(=O)c1ccccc1 B25292 [1,1,0,0,0,0|0,0,1]=3 46 B13R1.47 CCOC(=O)C(c1ccccc1)Br B21114 [1,1,0,0,0,0|0,0,0]=2 47 B13R1.47 CCOC(=O)C(c1ccccc1)O A17412 [1,1,0,0,0,0|0,0,0]=2 48 B13R1.47 CCOC(=O)[C@H](c1ccccc1)N L01564 [1,1,0,0,0,0|0,0,0]=2 49 B13R1.470 CCOC(=O)Cc1ccccc1Br H50630 [1,1,0,0,0,0|0,0,0]=2 50 B13R1.470 CCOC(=O)Cc1ccccc1C A11955 [1,1,0,0,0,0|0,0,0]=2 51 B13R1.470 CCOC(=O)Cc1ccccc1F L19999 [1,1,0,0,0,0|0,0,0]=2 52 B13R1.45 CC(C)NCC(c1ccccc1)O H50793 [1,1,0,0,0,0|1,0,1]=4 53 B13R1.149 CC(C)CNCc1cccc(c1)F H56526 [1,1,0,0,0,0|2,0,0]=4 54 B13R1.158 CC(C)CNCc1ccccc1F H56201 [1,1,0,0,0,0|2,0,0]=4 55 B13R1.351 CC(C)C(=O)OCc1ccccc1 L05930 [1,1,0,0,0,0|2,0,0]=4 56 B13R1.513 CC(C)CNCc1ccc(cc1)F H56711 [1,1,0,0,0,0|2,0,0]=4 57 B13R1.133 CN(C)C(=O)Nc1ccc(cc1)Cl L13455 [0,1,0,0,1,0|2,0,0]=4 58 B13R1.353 CC(C)(C)C(=O)Nc1ccccn1 H65898 [0,1,0,0,1,0|2,0,0]=4 59 B13R1.353 CC(C)(C)C(=O)Nc1cccnc1 H33510 [0,1,0,0,1,0|2,0,0]=4 60 B13R1.353 CC(C)(C)C(=O)Nc1ccncc1 H31564 [0,1,0,0,1,0|2,0,0]=4 61 B13R1.353 c1ccc(cc1)CC(=O)C(F)(F)F L16851 [0,1,0,0,1,0|2,0,0]=4 62 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Br H57478 [0,1,0,0,1,0|1,0,0]=3 63 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Cl H55420 [0,1,0,0,1,0|1,0,0]=3 64 B13R1.132 CC(C)NC(=O)c1ccc(cc1)F H57054 [0,1,0,0,1,0|1,0,0]=3 65 B13R1.132 CC(C)OC(=O)c1ccc(cc1)N A17551 [0,1,0,0,1,0|0,0,0]=2 66 B13R1.132 CC(C)OC(=O)c1ccc(cc1)O A13930 [0,1,0,0,1,0|0,0,0]=2 67 B13R1.132 Cc1ccc(cc1)C(=O)NC(C)C H56464 [0,1,0,0,1,0|1,0,0]=3 68 B13R1.147 CC(C)NC(=O)c1cccc(c1)Cl H56655 [0,1,0,0,1,0|1,0,0]=3 69 B13R1.147 CC(C)NC(=O)c1ccnc(c1)Cl H57250 [0,1,0,0,1,0|2,0,0]=4 70 B13R1.147 Cc1cccc(c1)C(=O)NC(C)C H56973 [0,1,0,0,1,0|1,0,0]=3 71 B13R1.201 CC(C)NC(=O)c1ccccc1Cl H56140 [0,1,0,0,1,0|1,0,0]=3 72 B13R1.201 CC(C)NC(=O)c1ccccc1F H56824 [0,1,0,0,1,0|1,0,0]=3 73 B13R1.201 CC(C)OC(=O)c1ccccc1O B24471 [0,1,0,0,1,0|0,0,0]=2 74 B13R1.347 CC(C)OS(=O)(=O)c1ccccc1 H64523 [0,1,0,0,1,0|1,0,0]=3 75 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 L08509 [0,1,0,0,1,0|1,0,0]=3 76 B13R1.352 C[Si](C)(C)OC(=C)c1ccccc1 L05308 [0,1,0,0,1,0|1,1,0]=4 77 B13R1.713 CC(C)\C=C(\C=O)/c1ccccc1 A18738 [0,1,0,0,1,0|1,0,0]=3 78 B15R1.741 C[C@@H](CO)NC(=O)OCc1ccccc1 H27066 [0,1,0,0,0,1|1,0,0]=3 79 B15R1.741 C[C@H](CO)NC(=O)OCc1ccccc1 B22372 [0,1,0,0,0,1|1,0,0]=3 80 B15R1.3465 CC(C)(C)OC(=O)NCc1cccnc1 H58183 [0,1,0,0,0,1|1,0,0]=3 81 B15R1.3465 CC(C)(C)OC(=O)NCc1ccncc1 H58647 [0,1,0,0,0,1|1,0,0]=3 82 B15R1.3678 CC(C)[C@@H](C(=O)OCc1ccccc1)N H50295 [0,1,0,0,0,1|1,0,0]=3 83 B15R1.3678 CC(C)[C@@H](C(=O)OCc1ccccc1)N H62242 [0,1,0,0,0,1|1,0,0]=3 84 B15R1.5802 CC(C)(C)OC(=O)Nc1ccncc1I H28751 [0,2,0,0,0,0|2,0,0]=4 85 B15R1.913 CC(C)(C)OC(=O)Nc1ccc(cc1)Br H55226 [0,2,0,0,0,0|1,0,0]=3 86 B15R1.913 CC(C)(C)OC(=O)Nc1ccc(cc1)I H27839 [0,2,0,0,0,0|1,0,0]=3 87 B15R1.913 CC(C)(C)OC(=O)Nc1ccc(cc1)O H55645 [0,2,0,0,0,0|1,0,0]=3 88 B15R1.913 CC(C)(C)OC(=O)Nc1ccc(cn1)I H50076 [0,2,0,0,0,0|2,0,0]=4 89 B15R1.8303 CC(C)(C)OC(=O)Nc1cccc(c1)O H55059 [0,2,0,0,0,0|1,0,0]=3 90 B15R1.8303 CC(C)(C)OC(=O)Nc1ccnc(c1)Br L19847 [0,2,0,0,0,0|2,0,0]=4 91 B15R1.8303 CC(C)(C)OC(=O)Nc1ccnc(c1)Cl H50067 [0,2,0,0,0,0|2,0,0]=4 92 B15R1.8303 Cc1cccc(n1)NC(=O)OC(C)(C)C H35121 [0,2,0,0,0,0|2,0,0]=4 93 B15R1.8303 Cc1ccnc(c1)NC(=O)OC(C)(C)C H35892 [0,2,0,0,0,0|2,0,0]=4 94 B13R2.15 c1ccc(cc1)N2CCCC2=O L14660 [1,0,0,1,0,0|2,0,0]=4 95 B13R2.15 c1ccc(cc1)N2CCOC2=O L08484 [1,0,0,1,0,0|1,0,0]=3 96 B13R2.64 c1ccc(cc1)CC2=NCCN2 B21764 [1,0,0,1,0,0|2,0,0]=4 97 B13R2.163 c1ccc2c(c1)CCCC(=O)N2 H63576 [1,0,0,1,0,0|2,0,0]=4 98 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O A15538 [1,0,0,1,0,0|1,0,1]=4 99 B13R2.359 CC1=Nc2ccccc2C1(C)C B22410 [0,0,0,1,1,0|2,0,0]=4 100 B13R2.369 CC1C(=O)Nc2ccccc2O1 H61075 [0,0,0,1,1,0|2,0,0]=4 101 B13R2.369 CC1C(=O)Nc2ccccc2S1 H61012 [0,0,0,1,1,0|2,0,0]=4 102 B13R2.435 CC(C)c1[nH]c2ccccc2n1 A11356 [0,0,0,1,1,0|2,0,0]=4 103 B15R2.7532 CC1(COC(=N1)Cc2ccccc2)C B25147 [0,0,0,1,0,1|1,0,0]=3 104 B11R1.16 C=COC(=O)c1ccccc1 B21805 [1,0,0,0,1,0|0,0,2]=4 105 B11R1.16 CCCC(=O)c1ccccc1 A11345 [1,0,0,0,1,0|1,0,0]=3 106 B11R1.16 CCOC(=N)c1ccccc1 L17684 [1,0,0,0,1,0|1,0,0]=3 107 B11R1.16 CCOC(=O)c1ccccc1 44283 [1,0,0,0,1,0|0,0,0]=2 108 B11R1.16 CCOC(=O)c1ccccc1 A13057 [1,0,0,0,1,0|0,0,0]=2 109 B11R1.16 CCOC(=O)c1ccccn1 A13973 [1,0,0,0,1,0|1,0,0]=3 110 B11R1.16 CCOC(=O)c1cccnc1 L03215 [1,0,0,0,1,0|1,0,0]=3 111 B11R1.16 CCOC(=O)c1ccncc1 L03010 [1,0,0,0,1,0|1,0,0]=3 112 B11R1.16 CCOC(=O)c1ccncn1 H64662 [1,0,0,0,1,0|2,0,0]=4 113 B11R1.16 c1ccc(cc1)C(=O)CCCl A12290 [1,0,0,0,1,0|2,0,0]=4 114 B11R1.16 c1ccc(cc1)C(=O)NCO A12250 [1,0,0,0,1,0|2,0,0]=4 115 B11R1.16 c1ccc(cc1)C(=O)SCO L00523 [1,0,0,0,1,0|1,1,0]=4 116 B11R1.30 CCOC(=O)Cc1cccs1 A15896 [1,0,0,0,1,0|1,0,0]=3 117 B11R1.30 CCOC(=O)Cc1ccsc1 A19694 [1,0,0,0,1,0|1,0,0]=3 118 B11R1.91 CC(=O)OCc1ccccc1 B23472 [1,0,0,0,1,0|1,0,1]=4 119 B11R1.91 CC(C)NCc1ccccc1 B23243 [1,0,0,0,1,0|1,0,0]=3 120 B11R1.91 CC(CCc1ccccc1)N A18804 [1,0,0,0,1,0|1,0,1]=4 121 B11R1.91 CC(CCc1ccccc1)O L05970 [1,0,0,0,1,0|1,0,1]=4 122 B11R1.91 C[C@@H](CCc1ccccc1)O L18886 [1,0,0,0,1,0|1,0,1]=4 123 B11R1.91 C[C@H](CCc1ccccc1)O L18885 [1,0,0,0,1,0|1,0,1]=4 124 B11R1.36 CC(C(=O)c1ccccc1)Br A10661 [0,0,0,0,2,0|1,0,0]=3 125 B11R1.36 CC(C)C(=O)c1ccccc1 B24628 [0,0,0,0,2,0|0,0,0]=2 126 B11R1.36 CC(C)C(c1ccccc1)O B20729 [0,0,0,0,2,0|0,0,2]=4 127 B11R1.36 CN(C)C(=O)c1ccccc1 A18766 [0,0,0,0,2,0|1,0,0]=3 128 B11R1.36 c1ccc(cc1)C(=O)C(Cl)Cl B23475 [0,0,0,0,2,0|2,0,0]=4 129 B11R1.36 c1ccc(cc1)C(=O)C(F)F H25750 [0,0,0,0,2,0|2,0,0]=4 130 B13R1.42 CCCC(=O)OCc1ccccc1 B24241 [1,0,0,0,0,1|1,0,0]=3 131 B13R1.42 CCOC(=O)C#Cc1ccccc1 L00603 [1,0,0,0,0,1|0,0,1]=3 132 B13R1.42 CCOC(=O)CCc1ccccc1 A13055 [1,0,0,0,0,1|0,0,0]=2 133 B13R1.42 CCOC(=O)CNc1ccccc1 B22282 [1,0,0,0,0,1|0,0,0]=2 134 B13R1.42 CCOC(=O)COc1ccccc1 A14156 [1,0,0,0,0,1|0,0,0]=2 135 B13R1.42 CCOC(=O)COc1cccnc1 H33981 [1,0,0,0,0,1|1,0,0]=3 136 B13R1.42 CCOC(=O)CSc1ccccc1 A18664 [1,0,0,0,0,1|0,0,0]=2 137 B13R1.42 CCOC(=O)\C=C\c1ccccc1 A12906 [1,0,0,0,0,1|0,0,1]=3 138 B13R1.42 CCOC(=O)\C=C\c1cccnc1 H33964 [1,0,0,0,0,1|1,0,1]=4 139 B13R1.42 c1ccc(cc1)COC(=O)CCN A18650 [1,0,0,0,0,1|2,0,0]=4