0 B12R1.252 CC(=O)CSCc1ccccc1 L03814 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 CC(=O)OCCc1ccccc1 B21238 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.252 CC(CNCc1ccccc1)O H50329 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.252 C[C@@H](COCc1ccccc1)O H60523 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.252 c1ccc(cc1)CCCC(=O)Cl H50388 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.252 c1ccc(cc1)CCCC(=O)O A18115 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.252 c1ccc(cc1)CCNC(=S)N L10520 [0,0,0,0,0,0|2,1,0]=3 7 B12R1.252 c1ccc(cc1)CNCC(=O)O L15200 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.252 c1ccc(cc1)CNCC(=O)O L15368 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.252 c1ccc(cc1)COCC(=O)Cl L14337 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.252 c1ccc(cc1)COCC(=O)O H54581 [0,0,0,0,0,0|3,0,0]=3 11 B12R1.252 c1ccc(cc1)CSCC(=O)O A18698 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.252 c1ccc(cc1)OCCC(=O)O A17842 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.252 c1ccnc(c1)CCNC(=S)N L10843 [0,0,0,0,0,0|3,1,0]=4 14 B11R1.28 C#CCCCc1ccccc1 L11608 [1,0,0,0,0,0|1,0,2]=4 15 B11R1.28 CCCCCc1ccccc1 A15734 [1,0,0,0,0,0|1,0,1]=3 16 B11R1.28 CCCCCc1ccccn1 B22125 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.28 CCCCNc1ccccc1 B24180 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.28 CCCCOc1ccccc1 L04703 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.28 CCO\C=N\c1ccccc1 43788 [1,0,0,0,0,0|1,0,2]=4 20 B11R1.28 CNCCOc1ccccc1 H50258 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.28 COCCSc1ccccc1 L10464 [1,0,0,0,0,0|3,0,0]=4 22 B11R1.28 c1ccc(cc1)CCCC#N L01638 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.28 c1ccc(cc1)CCCCBr B25237 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.28 c1ccc(cc1)CCCCCl A11753 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.28 c1ccc(cc1)CCCCN L02982 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.28 c1ccc(cc1)CCCCO A13433 [1,0,0,0,0,0|1,0,2]=4 27 B11R1.28 c1ccc(cc1)CCN=C=S A15123 [1,0,0,0,0,0|1,1,1]=4 28 B13R1.45 CC(=O)CCC(=O)c1ccccc1 L13151 [0,1,0,0,0,0|1,0,1]=3 29 B13R1.45 CC(=O)OCC(=O)c1ccccc1 L15652 [0,1,0,0,0,0|0,0,1]=2 30 B13R1.45 CC(C)NCC(c1ccccc1)O H50793 [0,1,0,0,0,0|2,0,1]=4 31 B13R1.45 c1ccc(cc1)C(=O)CCC(=O)O A16636 [0,1,0,0,0,0|2,0,1]=4 32 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 A17534 [0,1,0,0,0,0|2,0,1]=4 33 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 L19599 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.348 CC(C)OC(=O)Cc1ccccc1 L07385 [0,1,0,0,0,0|1,0,2]=4 35 B13R1.351 CC(=C)C(=O)OCc1ccccc1 L10840 [0,1,0,0,0,0|3,0,0]=4 36 B13R1.351 C[C@H](C(=O)O)OCc1ccccc1 L17205 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.351 c1ccc(cc1)CC[C@@H](C(=O)O)N H27295 [0,1,0,0,0,0|2,0,0]=3 38 B13R1.351 c1ccc(cc1)CC[C@H](C(=O)O)N H27629 [0,1,0,0,0,0|2,0,0]=3 39 B13R1.351 c1ccc(cc1)CC[C@H](C(=O)O)O H52804 [0,1,0,0,0,0|2,0,0]=3 40 B13R1.351 c1ccc(cc1)SC[C@@H](C(=O)O)N H55031 [0,1,0,0,0,0|3,0,0]=4 41 B13R1.513 Cc1ccc(cc1)CCCC(=O)O A14680 [0,1,0,0,0,0|2,0,0]=3 42 B13R1.513 c1cc(ccc1CCCC(=O)O)F H26035 [0,1,0,0,0,0|2,0,0]=3 43 B13R1.513 c1cc(ccc1SCCC(=O)O)Br H31609 [0,1,0,0,0,0|3,0,0]=4 44 B13R1.718 CCC(=O)OCCc1ccccc1 B21283 [0,1,0,0,0,0|0,0,0]=1 45 B13R2.10 Cc1nc(no1)c2ccccc2 B20145 [0,0,0,1,0,0|2,0,1]=4 46 B13R2.10 c1ccc(cc1)C2CCC(=O)O2 B24364 [0,0,0,1,0,0|2,0,0]=3 47 B13R2.10 c1ccc(cc1)N2CCC(=O)N2 A12089 [0,0,0,1,0,0|3,0,0]=4 48 B13R2.10 c1ccc(cc1)[C@@H]2COC(=O)N2 H27171 [0,0,0,1,0,0|1,0,0]=2 49 B13R2.10 c1ccc(cc1)[C@H]2COC(=O)N2 H27306 [0,0,0,1,0,0|1,0,0]=2 50 B13R2.10 c1ccc(cc1)c2cc(=O)o[nH]2 A15837 [0,0,0,1,0,0|1,0,2]=4 51 B13R2.72 CC(=O)c1c[nH]c2c1cccc2 A16221 [0,0,0,1,0,0|2,0,1]=4 52 B13R2.72 CC(=O)c1csc2c1cccc2 A10330 [0,0,0,1,0,0|2,0,1]=4 53 B13R2.72 c1ccc2c(c1)CC=C2C(=O)O H34344 [0,0,0,1,0,0|2,0,1]=4 54 B13R2.163 c1ccc2c(c1)CCCC(=O)N2 H63576 [0,0,0,1,0,0|2,0,0]=3 55 B11R1.91 B(CCc1ccccc1)(O)O H52502 [0,0,0,0,1,0|2,0,1]=4 56 B11R1.91 CC(=C)COc1ccccc1 B22369 [0,0,0,0,1,0|2,0,0]=3 57 B11R1.91 CC(=N)SCc1ccccc1 H51844 [0,0,0,0,1,0|1,1,0]=3 58 B11R1.91 CC(=O)C#Cc1ccccc1 H27826 [0,0,0,0,1,0|0,0,2]=3 59 B11R1.91 CC(=O)CCc1ccccc1 B22777 [0,0,0,0,1,0|0,0,0]=1 60 B11R1.91 CC(=O)NCc1cccnc1 B21862 [0,0,0,0,1,0|2,0,0]=3 61 B11R1.91 CC(=O)NNc1ccccc1 A14446 [0,0,0,0,1,0|2,0,0]=3 62 B11R1.91 CC(=O)OCc1ccccc1 B23472 [0,0,0,0,1,0|0,0,0]=1 63 B11R1.91 CC(=O)\C=C\c1ccccc1 A13537 [0,0,0,0,1,0|0,0,2]=3 64 B11R1.91 CC(C)NCc1ccccc1 B23243 [0,0,0,0,1,0|2,0,1]=4 65 B11R1.91 CC(CCc1ccccc1)N A18804 [0,0,0,0,1,0|1,0,1]=3 66 B11R1.91 CC(CCc1ccccc1)O L05970 [0,0,0,0,1,0|0,0,2]=3 67 B11R1.91 CC(COc1ccccc1)O L04596 [0,0,0,0,1,0|1,0,2]=4 68 B11R1.91 C[C@@H](CCc1ccccc1)O L18886 [0,0,0,0,1,0|0,0,2]=3 69 B11R1.91 C[C@H](CCc1ccccc1)O L18885 [0,0,0,0,1,0|0,0,2]=3 70 B11R1.91 c1cc(cnc1)CCC(=O)O H58619 [0,0,0,0,1,0|2,0,0]=3 71 B11R1.91 c1cc(cnc1)CCC(=O)O L14007 [0,0,0,0,1,0|2,0,0]=3 72 B11R1.91 c1cc(cnc1)OCC(=O)O B24780 [0,0,0,0,1,0|3,0,0]=4 73 B11R1.91 c1ccc(cc1)C#CC(=O)O A15163 [0,0,0,0,1,0|1,0,2]=4 74 B11R1.91 c1ccc(cc1)CCC(=O)Cl A10860 [0,0,0,0,1,0|1,0,0]=2 75 B11R1.91 c1ccc(cc1)CCC(=O)O A14908 [0,0,0,0,1,0|1,0,0]=2 76 B11R1.91 c1ccc(cc1)CNC(=O)N B24945 [0,0,0,0,1,0|2,0,0]=3 77 B11R1.91 c1ccc(cc1)CNC(=S)N L09400 [0,0,0,0,1,0|2,1,0]=4 78 B11R1.91 c1ccc(cc1)COC(=O)Cl A15682 [0,0,0,0,1,0|1,0,0]=2 79 B11R1.91 c1ccc(cc1)COC(=O)N A11569 [0,0,0,0,1,0|1,0,0]=2 80 B11R1.91 c1ccc(cc1)CSC(=[NH2+])N A15914 [0,0,0,0,1,0|2,1,0]=4 81 B11R1.91 c1ccc(cc1)NCC(=O)O A14182 [0,0,0,0,1,0|2,0,0]=3 82 B11R1.91 c1ccc(cc1)NNC(=O)N B22331 [0,0,0,0,1,0|3,0,0]=4 83 B11R1.91 c1ccc(cc1)OCC(=O)Cl A13761 [0,0,0,0,1,0|2,0,0]=3 84 B11R1.91 c1ccc(cc1)OCC(=O)N A14934 [0,0,0,0,1,0|2,0,0]=3 85 B11R1.91 c1ccc(cc1)OCC(=O)O A12541 [0,0,0,0,1,0|2,0,0]=3 86 B11R1.91 c1ccc(cc1)OCC(=S)N H26478 [0,0,0,0,1,0|2,1,0]=4 87 B11R1.91 c1ccc(cc1)SCC(=O)O B22280 [0,0,0,0,1,0|2,0,0]=3 88 B11R1.91 c1ccc(cc1)\C=C\C(=O)Cl A12016 [0,0,0,0,1,0|1,0,2]=4 89 B11R1.91 c1ccc(cc1)\C=C\C(=O)N A13429 [0,0,0,0,1,0|1,0,2]=4 90 B11R1.91 c1ccc(cc1)\C=C\C(=O)O A13538 [0,0,0,0,1,0|1,0,2]=4 91 B11R1.91 c1cnccc1CCC(=O)O H58655 [0,0,0,0,1,0|2,0,0]=3 92 B11R1.91 c1cnccc1SCC(=O)O B21499 [0,0,0,0,1,0|3,0,0]=4 93 B11R1.172 CC(=O)CSCc1ccco1 B22724 [0,0,0,0,1,0|3,0,0]=4 94 B11R1.172 c1cc(sc1)CCCC(=O)O L07563 [0,0,0,0,1,0|3,0,0]=4 95 B13R1.337 CC(=O)OCCCc1ccccc1 B20878 [0,0,0,0,0,1|0,0,0]=1 96 B13R1.337 CN(C)CCNCc1ccccc1 L03126 [0,0,0,0,0,1|3,0,0]=4 97 B13R1.337 c1ccc(cc1)OCCCC(=O)Cl L03130 [0,0,0,0,0,1|2,0,0]=3 98 B13R1.337 c1ccc(cc1)OCCCC(=O)O L01949 [0,0,0,0,0,1|2,0,0]=3 99 B10R1.17 C#CCCc1ccccc1 L12946 [2,0,0,0,0,0|0,0,2]=4 100 B10R1.17 C=CCNc1ccccc1 H55821 [2,0,0,0,0,0|1,0,1]=4 101 B10R1.17 C=CCOc1ccccc1 L03359 [2,0,0,0,0,0|1,0,1]=4 102 B10R1.17 C=CCSc1ccccc1 L04771 [2,0,0,0,0,0|1,0,1]=4 103 B10R1.17 CCCC[n+]1ccccc1 19740 [2,0,0,0,0,0|1,0,1]=4 104 B10R1.17 CCCC[n+]1ccccc1 H26995 [2,0,0,0,0,0|1,0,1]=4 105 B10R1.17 CCCCc1ccccc1 A10910 [2,0,0,0,0,0|0,0,1]=3 106 B10R1.17 CCNCc1ccccc1 L05651 [2,0,0,0,0,0|1,0,1]=4 107 B10R1.17 CNCCc1ccccn1 H50190 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.17 c1ccc(cc1)CCC#N L06483 [2,0,0,0,0,0|1,0,1]=4 109 B10R1.17 c1ccc(cc1)CCC=O A10367 [2,0,0,0,0,0|0,0,0]=2 110 B10R1.17 c1ccc(cc1)CCCBr A14050 [2,0,0,0,0,0|1,0,1]=4 111 B10R1.17 c1ccc(cc1)CCCCl B20445 [2,0,0,0,0,0|1,0,1]=4 112 B10R1.17 c1ccc(cc1)CCCI H53420 [2,0,0,0,0,0|1,0,1]=4 113 B10R1.17 c1ccc(cc1)CCCN L03023 [2,0,0,0,0,0|1,0,1]=4 114 B10R1.17 c1ccc(cc1)CCCO A13022 [2,0,0,0,0,0|0,0,2]=4 115 B10R1.17 c1ccc(cc1)CCC[Zn+] H58569 [2,0,0,0,0,0|1,0,1]=4 116 B10R1.17 c1ccc(cc1)CN=C=O L02633 [2,0,0,0,0,0|1,0,1]=4 117 B10R1.17 c1ccc(cc1)CNC=O B23722 [2,0,0,0,0,0|1,0,0]=3 118 B10R1.17 c1ccc(cc1)COC=O L13405 [2,0,0,0,0,0|0,0,0]=2 119 B10R1.17 c1ccc(cc1)COCCl H60207 [2,0,0,0,0,0|1,0,1]=4 120 B10R1.17 c1ccc(cc1)\C=C\C=O A14689 [2,0,0,0,0,0|0,0,2]=4 121 B12R1.1 CCCCCc1ccc(cc1)Br A14457 [1,1,0,0,0,0|1,0,1]=4 122 B12R1.1 CCCCCc1ccc(cc1)I H27356 [1,1,0,0,0,0|1,0,1]=4 123 B12R1.1 CCCCCc1ccc(cc1)N H26569 [1,1,0,0,0,0|1,0,1]=4 124 B12R1.1 CCCCCc1ccc(cc1)O A11514 [1,1,0,0,0,0|1,0,1]=4 125 B12R1.8 CC#CCCCc1ccccc1 B20019 [1,1,0,0,0,0|1,0,1]=4 126 B12R1.8 CCCCCCc1ccccc1 A12821 [1,1,0,0,0,0|1,0,1]=4 127 B12R1.8 CCCCNCc1ccccc1 A17851 [1,1,0,0,0,0|1,0,1]=4 128 B12R1.8 CCCCOCc1ccccc1 L11747 [1,1,0,0,0,0|1,0,1]=4 129 B12R1.8 c1ccc(cc1)CCCCCCl L08707 [1,1,0,0,0,0|1,0,1]=4 130 B12R1.8 c1ccc(cc1)CCCCCO L12070 [1,1,0,0,0,0|1,0,1]=4 131 B12R1.27 COC(=O)CCc1ccccc1 L05310 [1,1,0,0,0,0|2,0,0]=4 132 B12R1.30 CCCCC(c1ccccc1)O L04646 [1,1,0,0,0,0|1,0,1]=4 133 B12R1.32 CCOC(=O)Cc1ccccc1 A19356 [1,1,0,0,0,0|0,0,2]=4 134 B12R1.21 CC(=O)CCc1ccc(cc1)O A14064 [0,1,0,0,1,0|0,0,0]=2 135 B12R1.21 CC(=O)CSc1ccc(cc1)F B20094 [0,1,0,0,1,0|1,0,0]=3 136 B12R1.21 CC(=O)\C=C\c1ccc(cc1)Cl L05321 [0,1,0,0,1,0|0,0,2]=4 137 B12R1.21 CC(=O)\C=C\c1ccc(cc1)O A17605 [0,1,0,0,1,0|0,0,2]=4 138 B12R1.21 Cc1ccc(cc1)CCC(=O)O A14513 [0,1,0,0,1,0|1,0,0]=3 139 B12R1.21 Cc1ccc(cc1)COC(=O)C B22318 [0,1,0,0,1,0|0,0,0]=2 140 B12R1.21 Cc1ccc(cc1)OCC(=O)O A13230 [0,1,0,0,1,0|2,0,0]=4 141 B12R1.21 Cc1ccc(cc1)SCC(=O)C B20247 [0,1,0,0,1,0|1,0,0]=3 142 B12R1.21 c1cc(ccc1CCC(=O)O)Br H26785 [0,1,0,0,1,0|1,0,0]=3 143 B12R1.21 c1cc(ccc1CCC(=O)O)Cl H50204 [0,1,0,0,1,0|1,0,0]=3 144 B12R1.21 c1cc(ccc1CCC(=O)O)F L17008 [0,1,0,0,1,0|1,0,0]=3 145 B12R1.21 c1cc(ccc1CCC(=O)O)N L19330 [0,1,0,0,1,0|1,0,0]=3 146 B12R1.21 c1cc(ccc1CCC(=O)O)O A14567 [0,1,0,0,1,0|1,0,0]=3 147 B12R1.21 c1cc(ccc1CNC(=O)N)F A12865 [0,1,0,0,1,0|2,0,0]=4 148 B12R1.21 c1cc(ccc1F)SCC(=O)O A19658 [0,1,0,0,1,0|2,0,0]=4 149 B12R1.21 c1cc(ccc1N)SCC(=O)O A19834 [0,1,0,0,1,0|2,0,0]=4 150 B12R1.21 c1cc(ccc1NCC(=O)O)O A16843 [0,1,0,0,1,0|2,0,0]=4 151 B12R1.21 c1cc(ccc1O)OCC(=O)O A12940 [0,1,0,0,1,0|2,0,0]=4 152 B12R1.21 c1cc(ccc1OCC(=O)Cl)Cl L09860 [0,1,0,0,1,0|2,0,0]=4 153 B12R1.21 c1cc(ccc1OCC(=O)O)Br H60888 [0,1,0,0,1,0|2,0,0]=4 154 B12R1.21 c1cc(ccc1OCC(=O)O)Cl A13065 [0,1,0,0,1,0|2,0,0]=4 155 B12R1.21 c1cc(ccc1OCC(=O)O)F L01216 [0,1,0,0,1,0|2,0,0]=4 156 B12R1.21 c1cc(ccc1OCC(=O)O)I L01196 [0,1,0,0,1,0|2,0,0]=4 157 B12R1.21 c1cc(ccc1SCC(=O)O)Cl L08583 [0,1,0,0,1,0|2,0,0]=4 158 B12R1.43 CC(C(=O)Cl)Oc1ccccc1 L04943 [0,1,0,0,1,0|2,0,0]=4 159 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N H63941 [0,1,0,0,1,0|2,0,0]=4 160 B12R1.43 c1cc(cnc1)C[C@H](C(=O)O)N H63132 [0,1,0,0,1,0|2,0,0]=4 161 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] A14027 [0,1,0,0,1,0|1,0,1]=4 162 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] H56767 [0,1,0,0,1,0|1,0,1]=4 163 B12R1.43 c1ccc(cc1)CC(C(=O)O)N A10132 [0,1,0,0,1,0|1,0,0]=3 164 B12R1.43 c1ccc(cc1)CC(C(=O)O)O L09854 [0,1,0,0,1,0|1,0,0]=3 165 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N H62030 [0,1,0,0,1,0|1,0,0]=3 166 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N H65506 [0,1,0,0,1,0|1,0,0]=3 167 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N A13238 [0,1,0,0,1,0|1,0,0]=3 168 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O A18203 [0,1,0,0,1,0|1,0,0]=3 169 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N H65853 [0,1,0,0,1,0|1,0,0]=3 170 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N A10572 [0,1,0,0,1,0|1,0,0]=3 171 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O H35096 [0,1,0,0,1,0|1,0,0]=3 172 B12R1.43 c1ccc(cc1)N[C@H](C(=O)O)Cl H28776 [0,1,0,0,1,0|2,0,0]=4 173 B12R1.43 c1ccnc(c1)C[C@@H](C(=O)O)N H63770 [0,1,0,0,1,0|2,0,0]=4 174 B12R1.43 c1ccnc(c1)C[C@H](C(=O)O)N H63291 [0,1,0,0,1,0|2,0,0]=4 175 B12R1.43 c1cnccc1C[C@@H](C(=O)O)N H63928 [0,1,0,0,1,0|2,0,0]=4 176 B12R1.107 CC(=O)CC(=O)c1ccccc1 A14537 [0,1,0,0,1,0|0,0,1]=3 177 B12R1.107 CC(CC(=O)O)c1ccccc1 L08078 [0,1,0,0,1,0|1,0,0]=3 178 B12R1.107 c1ccc(cc1)C(CC(=O)O)N L19801 [0,1,0,0,1,0|1,0,0]=3 179 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N H52034 [0,1,0,0,1,0|1,0,0]=3 180 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)O L19040 [0,1,0,0,1,0|1,0,0]=3 181 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)O L19041 [0,1,0,0,1,0|1,0,0]=3 182 B12R1.125 CC(=O)NCc1ccccc1Br H50599 [0,1,0,0,1,0|1,0,0]=3 183 B12R1.125 Cc1ccccc1CCC(=O)O H34375 [0,1,0,0,1,0|1,0,0]=3 184 B12R1.125 Cc1ccccc1OCC(=O)O A13076 [0,1,0,0,1,0|2,0,0]=4 185 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br H33933 [0,1,0,0,1,0|1,0,0]=3 186 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl L15306 [0,1,0,0,1,0|1,0,0]=3 187 B12R1.125 c1ccc(c(c1)CCC(=O)O)F H34110 [0,1,0,0,1,0|1,0,0]=3 188 B12R1.125 c1ccc(c(c1)CCC(=O)O)O A14195 [0,1,0,0,1,0|1,0,0]=3 189 B12R1.125 c1ccc(c(c1)O)OCC(=O)O L03897 [0,1,0,0,1,0|2,0,0]=4 190 B12R1.125 c1ccc(c(c1)OCC(=O)N)Cl B25223 [0,1,0,0,1,0|2,0,0]=4 191 B12R1.125 c1ccc(c(c1)OCC(=O)O)Cl L00926 [0,1,0,0,1,0|2,0,0]=4 192 B12R1.226 CC(=O)\C=C\c1cccc(c1)Cl A10332 [0,1,0,0,1,0|0,0,2]=4 193 B12R1.226 Cc1cccc(c1)CCC(=O)O H34395 [0,1,0,0,1,0|1,0,0]=3 194 B12R1.226 Cc1cccc(c1)OCC(=O)O B24869 [0,1,0,0,1,0|2,0,0]=4 195 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O L18080 [0,1,0,0,1,0|1,0,0]=3 196 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O H33266 [0,1,0,0,1,0|1,0,0]=3 197 B12R1.226 c1cc(cc(c1)Cl)OCC(=O)Cl L18427 [0,1,0,0,1,0|2,0,0]=4 198 B12R1.226 c1cc(cc(c1)Cl)OCC(=O)O L00939 [0,1,0,0,1,0|2,0,0]=4 199 B12R1.226 c1cc(cc(c1)F)CCC(=O)O H27847 [0,1,0,0,1,0|1,0,0]=3 200 B12R1.226 c1cc(cc(c1)F)NCC(=O)O B22812 [0,1,0,0,1,0|2,0,0]=4 201 B12R1.226 c1cc(cc(c1)N)CCC(=O)O L19329 [0,1,0,0,1,0|1,0,0]=3 202 B12R1.226 c1cc(cc(c1)O)CCC(=O)O L01279 [0,1,0,0,1,0|1,0,0]=3 203 B12R1.891 c1ccc(cc1)CCS(=O)(=O)Cl H35462 [0,1,0,0,1,0|2,0,0]=4 204 B12R1.130 Cc1c(scn1)CCOC(=O)C B21867 [0,1,0,0,1,0|2,0,0]=4 205 B14R1.420 c1ccc(cc1)C(=O)CCCC(=O)O L04013 [0,1,0,0,0,1|2,0,0]=4 206 B14R1.677 c1cc(ccc1CCCCC(=O)O)F L17935 [0,1,0,0,0,1|2,0,0]=4 207 B14R1.677 c1cc(ccc1CCCCC(=O)O)O B25107 [0,1,0,0,0,1|2,0,0]=4 208 B14R1.716 C=CC(=O)OCCOc1ccccc1 L12120 [0,1,0,0,0,1|0,0,1]=3 209 B14R1.716 CCC(=O)OC\C=C\c1ccccc1 B21142 [0,1,0,0,0,1|0,0,1]=3 210 B14R1.818 CC(=O)CC(=O)OCc1ccccc1 A14915 [0,1,0,0,0,1|1,0,1]=4 211 B14R1.6449 c1ccc(cc1)CCC[C@H](C(=O)O)N H52077 [0,1,0,0,0,1|2,0,0]=4 212 B14R1.6449 c1ccc(cc1)COCC(C(=O)O)N L19491 [0,1,0,0,0,1|2,0,0]=4 213 B14R1.6449 c1ccc(cc1)COC[C@@H](C(=O)O)N B22393 [0,1,0,0,0,1|2,0,0]=4 214 B14R1.6449 c1ccc(cc1)CSC[C@@H](C(=O)O)N L11666 [0,1,0,0,0,1|2,0,0]=4 215 B14R1.163 COC(=O)CCC(=O)c1ccccc1 B20435 [0,2,0,0,0,0|1,0,1]=4 216 B14R1.337 c1ccc(c(c1)C[C@H](CC(=O)O)N)Cl H52096 [0,2,0,0,0,0|2,0,0]=4 217 B14R1.698 c1cc(ccc1C[C@H](CC(=O)O)N)Br H52086 [0,2,0,0,0,0|2,0,0]=4 218 B14R1.4 COc1ccc(cc1)CCCC(=O)O H60613 [0,2,0,0,0,0|2,0,0]=4 219 B14R1.520 CCOC(=O)CCOc1ccccc1 L07606 [0,2,0,0,0,0|2,0,0]=4 220 B14R1.520 CCOC(=O)CNCc1ccccc1 L15496 [0,2,0,0,0,0|2,0,0]=4 221 B12R2.1081 B1(c2ccccc2CCO1)O H52672 [1,0,0,1,0,0|1,0,1]=4 222 B12R2.1081 CC1c2ccccc2CCN1 H64191 [1,0,0,1,0,0|1,0,1]=4 223 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 A11242 [1,0,0,1,0,0|2,0,0]=4 224 B12R2.1081 c1ccc2c(c1)CCCC2=O A13303 [1,0,0,1,0,0|1,0,0]=3 225 B12R2.1081 c1ccc2c(c1)COCC2=O H61539 [1,0,0,1,0,0|2,0,0]=4 226 B12R2.1081 c1ccc2c(c1)CSCC2=O L07948 [1,0,0,1,0,0|2,0,0]=4 227 B12R2.24 c1ccc2c(c1)CCC(=O)C2 L01053 [0,0,0,1,1,0|0,0,0]=2 228 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [0,0,0,1,1,0|1,0,0]=3 229 B12R2.24 c1ccc2c(c1)CCC(=O)O2 B21229 [0,0,0,1,1,0|1,0,0]=3 230 B12R2.24 c1ccc2c(c1)CCC(C2)N H66652 [0,0,0,1,1,0|1,0,1]=4 231 B12R2.24 c1ccc2c(c1)CNC(=O)N2 L07763 [0,0,0,1,1,0|2,0,0]=4 232 B12R2.24 c1ccc2c(c1)NC(=O)CO2 H27622 [0,0,0,1,1,0|2,0,0]=4 233 B12R2.24 c1ccc2c(c1)NC(=O)CS2 A11091 [0,0,0,1,1,0|2,0,0]=4 234 B12R2.92 CC1(CC1c2ccccc2)C B21271 [0,0,0,1,1,0|1,0,1]=4 235 B14R2.2 CC(=O)Oc1c[nH]c2c1cccc2 L04932 [0,0,0,1,0,1|0,0,2]=4 236 B14R2.2 CC(=O)Oc1coc2c1cccc2 L13126 [0,0,0,1,0,1|0,0,2]=4 237 B14R2.2 c1ccc2c(c1)CCC2CC(=O)O H66601 [0,0,0,1,0,1|2,0,0]=4 238 B14R2.19 c1ccc(cc1)CN2CCC(=O)C2 A13426 [0,0,0,1,0,1|1,0,0]=3 239 B14R2.19 c1ccc(cc1)C[C@@H]2COC(=O)N2 A16770 [0,0,0,1,0,1|1,0,0]=3 240 B14R2.19 c1ccc(cc1)C[C@H]2COC(=O)N2 A18236 [0,0,0,1,0,1|1,0,0]=3 241 B14R2.31359 c1ccc2c(c1)CCCC2C(=O)O H32138 [0,0,0,1,0,1|2,0,0]=4 242 B14R2.31359 c1ccc2c(c1)CCC[C@@H]2C(=O)O H27612 [0,0,0,1,0,1|2,0,0]=4 243 B14R2.31359 c1ccc2c(c1)CCC[C@H]2C(=O)O H27673 [0,0,0,1,0,1|2,0,0]=4 244 B14R2.68 c1ccc(cc1)C2CCC(=O)CC2 L08614 [0,1,0,1,0,0|1,0,0]=3 245 B14R2.300 CC(=O)N1CCc2c1ccc(c2)Br B20509 [0,1,0,1,0,0|1,0,0]=3 246 B14R2.768 c1ccc2c(c1)CC(C2)CC(=O)O L10700 [0,1,0,1,0,0|2,0,0]=4 247 B14R2.598 c1ccc(cc1)C2CC(=O)OC2=O B24418 [0,1,0,1,0,0|0,0,1]=3 248 B14R2.4514 CN1[C@@H](CCC1=O)c2cccnc2 L11873 [0,1,0,1,0,0|2,0,0]=4 249 B10R1.18 CC(=C)Cc1ccccc1 B20370 [0,0,0,0,2,0|1,0,0]=3 250 B10R1.18 CC(=O)C[n+]1ccccc1 A16015 [0,0,0,0,2,0|1,0,0]=3 251 B10R1.18 CC(=O)C[n+]1ccccc1 B24490 [0,0,0,0,2,0|1,0,0]=3 252 B10R1.18 CC(=O)Cc1ccncc1 L18667 [0,0,0,0,2,0|1,0,0]=3 253 B10R1.18 CC(=O)Nc1ccccc1 A14361 [0,0,0,0,2,0|1,0,0]=3 254 B10R1.18 CC(=O)Oc1ccccc1 B22561 [0,0,0,0,2,0|0,0,0]=2 255 B10R1.18 CC(=O)Oc1ccccc1 L19598 [0,0,0,0,2,0|0,0,0]=2 256 B10R1.18 CC(=O)Sc1ccccc1 H55175 [0,0,0,0,2,0|0,1,0]=3 257 B10R1.18 CN(C)Cc1ccccc1 A12191 [0,0,0,0,2,0|2,0,0]=4 258 B10R1.18 C[SiH](C)Cc1ccccc1 L05334 [0,0,0,0,2,0|1,1,0]=4 259 B10R1.18 c1cc(cnc1)CC(=O)N B25692 [0,0,0,0,2,0|2,0,0]=4 260 B10R1.18 c1cc(cnc1)CC(=O)O A15599 [0,0,0,0,2,0|2,0,0]=4 261 B10R1.18 c1ccc(cc1)CC(=O)Cl B24987 [0,0,0,0,2,0|1,0,0]=3 262 B10R1.18 c1ccc(cc1)CC(=O)N H60626 [0,0,0,0,2,0|1,0,0]=3 263 B10R1.18 c1ccc(cc1)CC(=O)O A14881 [0,0,0,0,2,0|1,0,0]=3 264 B10R1.18 c1ccc(cc1)CC(=S)N H26514 [0,0,0,0,2,0|1,1,0]=4 265 B10R1.18 c1ccc(cc1)NC(=O)N L01306 [0,0,0,0,2,0|2,0,0]=4 266 B10R1.18 c1ccc(cc1)OC(=O)Cl A12618 [0,0,0,0,2,0|1,0,0]=3 267 B10R1.18 c1ccc(cc1)OC(=O)N L00944 [0,0,0,0,2,0|1,0,0]=3 268 B10R1.18 c1ccc(cc1)OC(=S)Cl L00838 [0,0,0,0,2,0|1,1,0]=4 269 B10R1.18 c1ccnc(c1)CC(=O)N B24939 [0,0,0,0,2,0|2,0,0]=4 270 B10R1.18 c1ccnc(c1)CC(=O)O L04870 [0,0,0,0,2,0|2,0,0]=4 271 B10R1.18 c1cnccc1CC(=O)N B24734 [0,0,0,0,2,0|2,0,0]=4 272 B10R1.18 c1cnccc1CC(=O)O A14348 [0,0,0,0,2,0|2,0,0]=4 273 B10R1.66 CC(=O)OCc1ccco1 A15285 [0,0,0,0,2,0|1,0,0]=3 274 B10R1.66 CC(=O)SCc1ccco1 B21821 [0,0,0,0,2,0|1,1,0]=4 275 B10R1.66 c1cc(oc1)CCC(=O)O H27273 [0,0,0,0,2,0|2,0,0]=4 276 B14R1.422 c1ccc(cc1)CCCCCC(=O)O A11187 [0,0,0,0,0,2|2,0,0]=4