0 B10R0.4 B(CCCCCCCC)(O)O L19964 [0,0,0,0,0,0|1,0,1]=2 1 B10R0.4 B(\C=C\CCCCCC)(O)O H52634 [0,0,0,0,0,0|1,0,3]=4 2 B10R0.4 C(CCCC(=O)O)CCCBr B25575 [0,0,0,0,0,0|1,0,0]=1 3 B10R0.4 C(CCCC(=O)O)CCCN A17353 [0,0,0,0,0,0|1,0,0]=1 4 B10R0.4 CCCCCCCCC(=O)C A14145 [0,0,0,0,0,0|1,0,0]=1 5 B10R0.4 CCCCCCCCC(=O)Cl A17671 [0,0,0,0,0,0|1,0,0]=1 6 B10R0.4 CCCCCCCCC(=O)O B21568 [0,0,0,0,0,0|0,0,0]=0 7 B10R0.4 CCCCCCCCC(C)O L05688 [0,0,0,0,0,0|1,0,1]=2 8 B10R0.4 CCCCCCCCN(C)C A12546 [0,0,0,0,0,0|3,0,0]=3 9 B10R0.4 CCCCCC\C=C\C(=O)C A19256 [0,0,0,0,0,0|1,0,2]=3 10 B10R0.4 CCCCCC\C=C\C(=O)O A13228 [0,0,0,0,0,0|0,0,2]=2 11 B10R0.4 CCCCOCCOC(=O)C L09515 [0,0,0,0,0,0|3,0,0]=3 12 B9R0.2 C(CCCN)CCC(=O)O H27519 [1,0,0,0,0,0|1,0,0]=2 13 B9R0.2 CC(=O)OCCCCCBr A15549 [1,0,0,0,0,0|3,0,0]=4 14 B9R0.2 CC(=O)OCCCCCCl A11111 [1,0,0,0,0,0|3,0,0]=4 15 B9R0.2 CCCCCC#CC(=O)O B21957 [1,0,0,0,0,0|0,0,2]=3 16 B9R0.2 CCCCCCCC(=O)C A11781 [1,0,0,0,0,0|1,0,0]=2 17 B9R0.2 CCCCCCCC(=O)Cl L03526 [1,0,0,0,0,0|1,0,0]=2 18 B9R0.2 CCCCCCCC(=O)O A11149 [1,0,0,0,0,0|0,0,0]=1 19 B9R0.2 CCCCCCCC(=O)[O-] 39371 [1,0,0,0,0,0|0,0,1]=2 20 B9R0.2 CCCCCCCC(=O)[O-] 39479 [1,0,0,0,0,0|0,0,1]=2 21 B9R0.2 CCCCCCCC(=O)[O-] 39825 [1,0,0,0,0,0|0,0,1]=2 22 B9R0.2 CCCCCCCC(=O)[O-] A13451 [1,0,0,0,0,0|0,0,1]=2 23 B9R0.2 CCCCCCCC(C)Br L07387 [1,0,0,0,0,0|2,0,1]=4 24 B9R0.2 CCCCCCCC(C)C B20849 [1,0,0,0,0,0|2,0,1]=4 25 B9R0.2 CCCCCCCC(C)O L06310 [1,0,0,0,0,0|1,0,1]=3 26 B9R0.2 CCCCCCC[C@@H](C)N L19310 [1,0,0,0,0,0|2,0,1]=4 27 B9R0.2 CCCCCCC[C@H](C)N L19311 [1,0,0,0,0,0|2,0,1]=4 28 B9R0.2 CCCCCCNC(=S)N B21686 [1,0,0,0,0,0|2,1,0]=4 29 B9R0.2 CCCCCCOC(=O)C L06342 [1,0,0,0,0,0|2,0,0]=3 30 B9R0.2 CCCCC\C=C\C(=O)C A19084 [1,0,0,0,0,0|1,0,2]=4 31 B9R0.2 CCCCC\C=C\C(=O)O L02058 [1,0,0,0,0,0|0,0,2]=3 32 B9R0.45 C(CCCCBr)CCCBr A15651 [1,0,0,0,0,0|2,0,1]=4 33 B9R0.45 C(CCCCBr)CCCO H27628 [1,0,0,0,0,0|1,0,1]=3 34 B9R0.45 C(CCCCCl)CCCO H28417 [1,0,0,0,0,0|1,0,1]=3 35 B9R0.45 C(CCCCI)CCCI A10867 [1,0,0,0,0,0|2,0,1]=4 36 B9R0.45 C(CCCCN)CCCN B23885 [1,0,0,0,0,0|2,0,1]=4 37 B9R0.45 C(CCCCO)CCCO A15402 [1,0,0,0,0,0|1,0,1]=3 38 B9R0.45 C(CCCCS)CCCS B24693 [1,0,0,0,0,0|1,1,1]=4 39 B9R0.45 C=CCCCCCCC=C 31207 [1,0,0,0,0,0|1,0,2]=4 40 B9R0.45 C=CCCCCCCCBr H64792 [1,0,0,0,0,0|2,0,0]=3 41 B9R0.45 CCCCCC#CCCO A12922 [1,0,0,0,0,0|0,0,3]=4 42 B9R0.45 CCCCCCC#CCO L06380 [1,0,0,0,0,0|0,0,3]=4 43 B9R0.45 CCCCCCCCC#C A11171 [1,0,0,0,0,0|1,0,1]=3 44 B9R0.45 CCCCCCCCC=C 31213 [1,0,0,0,0,0|1,0,0]=2 45 B9R0.45 CCCCCCCCC=C L06800 [1,0,0,0,0,0|1,0,0]=2 46 B9R0.45 CCCCCCCCC=O A15908 [1,0,0,0,0,0|0,0,0]=1 47 B9R0.45 CCCCCCCCCBr A10577 [1,0,0,0,0,0|1,0,1]=3 48 B9R0.45 CCCCCCCCCC 31209 [1,0,0,0,0,0|1,0,1]=3 49 B9R0.45 CCCCCCCCCC A14732 [1,0,0,0,0,0|1,0,1]=3 50 B9R0.45 CCCCCCCCCCl L09909 [1,0,0,0,0,0|1,0,1]=3 51 B9R0.45 CCCCCCCCCI A10667 [1,0,0,0,0,0|1,0,1]=3 52 B9R0.45 CCCCCCCCCN A18209 [1,0,0,0,0,0|1,0,1]=3 53 B9R0.45 CCCCCCCCCO A12510 [1,0,0,0,0,0|0,0,1]=2 54 B9R0.45 CCCCCCCCCS L10988 [1,0,0,0,0,0|0,1,1]=3 55 B9R0.45 CCCCCCCCC[Zn+] H58604 [1,0,0,0,0,0|1,0,1]=3 56 B9R0.45 CCCCCCCCNC L18639 [1,0,0,0,0,0|2,0,0]=3 57 B9R0.45 CCCCCCCN=C=O B21793 [1,0,0,0,0,0|1,0,1]=3 58 B9R0.45 CCCCCCCN=C=S L10866 [1,0,0,0,0,0|1,1,1]=4 59 B9R0.45 CCCCCCCNCC H65107 [1,0,0,0,0,0|2,0,1]=4 60 B9R0.45 CCCCCCOCCO B22385 [1,0,0,0,0,0|1,0,1]=3 61 B9R0.45 CCCCCC\C=C/CO A18842 [1,0,0,0,0,0|0,0,3]=4 62 B9R0.45 CCCCCC\C=C\C=O A18108 [1,0,0,0,0,0|0,0,2]=3 63 B9R0.45 CCCCC\C=C/CCO A17846 [1,0,0,0,0,0|0,0,3]=4 64 B9R0.45 CC\C=C/CCCCC=O L08260 [1,0,0,0,0,0|0,0,2]=3 65 B9R0.45 CC\C=C/CCCCCO L08387 [1,0,0,0,0,0|0,0,3]=4 66 B9R0.45 COCCCCCCOC B25130 [1,0,0,0,0,0|3,0,0]=4 67 B11R0.30 C(CCCC(=O)Cl)CCC(=O)Cl B24580 [0,1,0,0,0,0|2,0,1]=4 68 B11R0.30 C(CCCC(=O)O)CCC(=O)O A13963 [0,1,0,0,0,0|1,0,1]=3 69 B11R0.30 CC(=O)NCCCCCC(=O)O B23623 [0,1,0,0,0,0|1,0,1]=3 70 B11R0.40 CCCCCCC#CC(=O)OC B21409 [0,1,0,0,0,0|0,0,2]=3 71 B11R0.40 CCCCCCCCC(=O)CC B21007 [0,1,0,0,0,0|1,0,0]=2 72 B11R0.40 CCCCC\C=C\CC(=O)OC A19288 [0,1,0,0,0,0|0,0,2]=3 73 B11R0.42 CCCCCCCC(C)C(=O)O H30430 [0,1,0,0,0,0|0,0,0]=1 74 B11R0.46 CCCCCC(C)CCC(=O)O A15528 [0,1,0,0,0,0|0,0,0]=1 75 B11R0.46 CCCCOC(=O)CCC(=O)C H59274 [0,1,0,0,0,0|2,0,1]=4 76 B11R0.148 CCCCCCCCCC(=O)C A17659 [0,1,0,0,0,0|1,0,0]=2 77 B11R0.148 CCCCCCCCCC(=O)Cl A19486 [0,1,0,0,0,0|1,0,0]=2 78 B11R0.148 CCCCCCCCCC(=O)O A14788 [0,1,0,0,0,0|0,0,0]=1 79 B11R0.148 CCCCCCCCCC(C)C A14235 [0,1,0,0,0,0|2,0,1]=4 80 B11R0.148 CCCCCCCCCC(C)O A14441 [0,1,0,0,0,0|1,0,1]=3 81 B11R0.148 CCCCCCCCOC(=O)C L06405 [0,1,0,0,0,0|1,0,0]=2 82 B11R0.148 CCOCCOCCOC(=O)C L13446 [0,1,0,0,0,0|3,0,0]=4 83 B11R0.159 CCCCCCCCP(=O)(Cl)Cl L18587 [0,1,0,0,0,0|2,0,0]=3 84 B11R0.159 CCCCCCCCP(=O)(O)O 20651 [0,1,0,0,0,0|1,0,0]=2 85 B11R0.159 CCCCCCCCP(=O)(O)O L18586 [0,1,0,0,0,0|1,0,0]=2 86 B11R0.159 CCCCCCCCS(=O)(=O)Cl A15440 [0,1,0,0,0,0|1,0,1]=3 87 B11R0.159 CCCCCCCCS(=O)(=O)[O-] 15764 [0,1,0,0,0,0|1,0,1]=3 88 B11R0.159 CCCCCCCCS(=O)(=O)[O-] 42636 [0,1,0,0,0,0|1,0,1]=3 89 B11R0.159 CCCCCCCCS(=O)(=O)[O-] A14292 [0,1,0,0,0,0|1,0,1]=3 90 B11R0.159 CCCCCCCC[N+](C)(C)C L08610 [0,1,0,0,0,0|3,0,0]=4 91 B11R0.159 CCCCCCCC[Si](C)(C)Cl L16564 [0,1,0,0,0,0|2,1,0]=4 92 B11R0.159 CCCCCCCC[Si](C)(Cl)Cl L16565 [0,1,0,0,0,0|2,1,0]=4 93 B11R0.159 CCCCCCCC[Si](Cl)(Cl)Cl B23753 [0,1,0,0,0,0|2,1,0]=4 94 B11R0.159 CCCCCCCOS(=O)(=O)[O-] B22104 [0,1,0,0,0,0|2,0,1]=4 95 B11R0.176 CCOC(=O)CCCCC(=O)O B24006 [0,1,0,0,0,0|1,0,1]=3 96 B11R1.24 CCCCC1CCCC(=O)O1 L14122 [0,0,0,1,0,0|0,0,0]=1 97 B11R1.91 C1CCC(CC1)CCC(=O)O B23613 [0,0,0,1,0,0|0,0,0]=1 98 B11R1.91 C1CNCCC1OCC(=O)N H50928 [0,0,0,1,0,0|3,0,0]=4 99 B11R1.91 C1COCCN1CCC(=O)O H35846 [0,0,0,1,0,0|2,0,0]=3 100 B11R1.99 CCCCCCCCC1CO1 L07289 [0,0,0,1,0,0|1,0,1]=3 101 B11R1.742 C1CCCC(CC1)CC(=O)O L15553 [0,0,0,1,0,0|0,0,0]=1 102 B8R0.4 C(CCCN)CCCN L02853 [2,0,0,0,0,0|2,0,0]=4 103 B8R0.4 C(CCCO)CCCBr H54762 [2,0,0,0,0,0|1,0,0]=3 104 B8R0.4 C(CCCO)CCCO L06384 [2,0,0,0,0,0|1,0,0]=3 105 B8R0.4 C=CCCCCCCBr H64830 [2,0,0,0,0,0|1,0,1]=4 106 B8R0.4 CCCCC#CCCO L05414 [2,0,0,0,0,0|0,0,2]=4 107 B8R0.4 CCCCCC#CCO L05596 [2,0,0,0,0,0|0,0,2]=4 108 B8R0.4 CCCCCCCC#C B24263 [2,0,0,0,0,0|0,0,2]=4 109 B8R0.4 CCCCCCCC#N B23338 [2,0,0,0,0,0|1,0,1]=4 110 B8R0.4 CCCCCCCC=O A10901 [2,0,0,0,0,0|0,0,0]=2 111 B8R0.4 CCCCCCCCBr A14722 [2,0,0,0,0,0|1,0,0]=3 112 B8R0.4 CCCCCCCCC A16177 [2,0,0,0,0,0|0,0,1]=3 113 B8R0.4 CCCCCCCCCl L04358 [2,0,0,0,0,0|1,0,0]=3 114 B8R0.4 CCCCCCCCI B22214 [2,0,0,0,0,0|1,0,0]=3 115 B8R0.4 CCCCCCCCN B24193 [2,0,0,0,0,0|1,0,0]=3 116 B8R0.4 CCCCCCCCO A15977 [2,0,0,0,0,0|0,0,0]=2 117 B8R0.4 CCCCCCCCO H36188 [2,0,0,0,0,0|0,0,0]=2 118 B8R0.4 CCCCCCCCS L07195 [2,0,0,0,0,0|0,1,0]=3 119 B8R0.4 CCCCCCCC[Mg+] H51174 [2,0,0,0,0,0|1,0,0]=3 120 B8R0.4 CCCCCCCC[O-] H37523 [2,0,0,0,0,0|0,0,1]=3 121 B8R0.4 CCCCCCCC[Zn+] H58444 [2,0,0,0,0,0|1,0,0]=3 122 B8R0.4 CCCCCCCNC H65794 [2,0,0,0,0,0|1,0,1]=4 123 B8R0.4 CCCCCCOC=O L06226 [2,0,0,0,0,0|1,0,0]=3 124 B8R0.4 CCCCCSCCO B22772 [2,0,0,0,0,0|1,0,0]=3 125 B8R0.4 CCCCC\C=C\C=O A18830 [2,0,0,0,0,0|0,0,2]=4 126 B8R0.4 CCCCC\C=C\CO A15960 [2,0,0,0,0,0|0,0,2]=4 127 B8R0.4 CCCCNCCCC A11671 [2,0,0,0,0,0|1,0,1]=4 128 B8R0.4 CCCCOCCCC A16305 [2,0,0,0,0,0|1,0,1]=4 129 B8R0.4 CCCCSCCCC L07599 [2,0,0,0,0,0|1,0,1]=4 130 B8R0.4 CCCC[N-]CCCC L08269 [2,0,0,0,0,0|1,0,1]=4 131 B8R0.4 CCCC[NH2+]CCCC B20251 [2,0,0,0,0,0|1,0,1]=4 132 B8R0.4 CCCC[Sn+2]CCCC 14116 [2,0,0,0,0,0|1,0,1]=4 133 B8R0.4 CCCC[Sn+2]CCCC 14117 [2,0,0,0,0,0|1,0,1]=4 134 B8R0.4 CCCC[Sn+2]CCCC 18595 [2,0,0,0,0,0|1,0,1]=4 135 B8R0.4 CCCC[Sn+2]CCCC 39618 [2,0,0,0,0,0|1,0,1]=4 136 B8R0.4 CCCC[Sn+2]CCCC B23921 [2,0,0,0,0,0|1,0,1]=4 137 B8R0.4 CCCC[Sn+2]CCCC L14491 [2,0,0,0,0,0|1,0,1]=4 138 B8R0.4 CCCC\C=C/CCO A19014 [2,0,0,0,0,0|0,0,2]=4 139 B8R0.4 CCOCCOCCO A14670 [2,0,0,0,0,0|2,0,0]=4 140 B8R0.4 CC\C=C/CCCCO A19454 [2,0,0,0,0,0|0,0,2]=4 141 B8R0.7 B(CCCCCC)(O)O B22446 [2,0,0,0,0,0|1,0,1]=4 142 B8R0.7 C#CCCCCC(=O)O H53519 [2,0,0,0,0,0|0,0,2]=4 143 B8R0.7 C(CCC(=O)Cl)CCBr A11063 [2,0,0,0,0,0|2,0,0]=4 144 B8R0.7 C(CCC(=O)Cl)CCCl L11111 [2,0,0,0,0,0|2,0,0]=4 145 B8R0.7 C(CCC(=O)O)CCBr A15761 [2,0,0,0,0,0|1,0,0]=3 146 B8R0.7 C(CCC(=O)O)CCN A14719 [2,0,0,0,0,0|1,0,0]=3 147 B8R0.7 C(CCC(=O)O)CCO B24857 [2,0,0,0,0,0|1,0,0]=3 148 B8R0.7 C=CCCCCC(=O)O L13144 [2,0,0,0,0,0|0,0,2]=4 149 B8R0.7 CCCCCCC(=O)C A11643 [2,0,0,0,0,0|1,0,0]=3 150 B8R0.7 CCCCCCC(=O)Cl L03315 [2,0,0,0,0,0|1,0,0]=3 151 B8R0.7 CCCCCCC(=O)O A17704 [2,0,0,0,0,0|0,0,0]=2 152 B8R0.7 CCCCCCC(C)O A16985 [2,0,0,0,0,0|1,0,1]=4 153 B8R0.7 CCCCCC[C@@H](C)O L11502 [2,0,0,0,0,0|1,0,1]=4 154 B8R0.7 CCCCCC[C@H](C)O L12425 [2,0,0,0,0,0|1,0,1]=4 155 B8R0.7 CCCCCOC(=O)C L10852 [2,0,0,0,0,0|2,0,0]=4 156 B8R0.7 CCCCOCC(=O)O H50210 [2,0,0,0,0,0|1,0,0]=3 157 B8R0.7 COCCOCC(=O)O L20090 [2,0,0,0,0,0|2,0,0]=4 158 B10R0.3 CCOC(=O)CCCC(=O)O L03941 [1,1,0,0,0,0|1,0,1]=4 159 B10R0.6 CCCCCC(=O)CC(=O)C L01151 [1,1,0,0,0,0|1,0,1]=4 160 B10R0.22 CCCCCCCS(=O)(=O)[O-] 15214 [1,1,0,0,0,0|1,0,1]=4 161 B10R0.22 CCCCCCCS(=O)(=O)[O-] A10917 [1,1,0,0,0,0|1,0,1]=4 162 B10R0.55 COC(=O)CCCCC(=O)O L09061 [1,1,0,0,0,0|1,0,1]=4 163 B10R0.74 CCCCCC#CC(=O)OC B21242 [1,1,0,0,0,0|0,0,2]=4 164 B10R0.74 CCCCCCCC(=O)CC B20909 [1,1,0,0,0,0|1,0,0]=3 165 B10R0.74 CCCCCCCC(=O)OC A10991 [1,1,0,0,0,0|0,0,0]=2 166 B10R0.74 CCCCCCCC(CC)O B24141 [1,1,0,0,0,0|1,0,1]=4 167 B10R0.74 CCCCCCOC(=O)C=C L09905 [1,1,0,0,0,0|2,0,0]=4 168 B10R0.74 CCCCC\C=C\C(=O)OC A19612 [1,1,0,0,0,0|0,0,2]=4 169 B10R0.74 COC(=O)CCCCCCBr H27234 [1,1,0,0,0,0|1,0,0]=3 170 B10R0.74 COC(=O)CCCCCCCl H27098 [1,1,0,0,0,0|1,0,0]=3 171 B10R0.75 CCCCCCC(C(=O)O)O L02314 [1,1,0,0,0,0|0,0,0]=2 172 B10R0.78 CCCCC(C)CCC(=O)O B22616 [1,1,0,0,0,0|0,0,0]=2 173 B10R0.97 C(CCC(=O)O)CCC(=O)O A18495 [1,1,0,0,0,0|1,0,1]=4 174 B10R0.1 CCCCCCC(CCC)O B20866 [1,1,0,0,0,0|1,0,1]=4 175 B10R0.1 CCCCCC[C@@H](C)N=C=O L20244 [1,1,0,0,0,0|1,0,1]=4 176 B10R0.1 CCCCCC[C@H](C)N=C=O L20245 [1,1,0,0,0,0|1,0,1]=4 177 B10R0.71 C(CCCCBr)CCCCBr A14324 [1,1,0,0,0,0|1,0,1]=4 178 B10R0.71 C(CCCCCl)CCCCCl H64561 [1,1,0,0,0,0|1,0,1]=4 179 B10R0.71 C(CCCCN)CCCCN L02043 [1,1,0,0,0,0|1,0,1]=4 180 B10R0.71 C(CCCCO)CCCCBr H61393 [1,1,0,0,0,0|0,0,1]=3 181 B10R0.71 C(CCCCO)CCCCO L06336 [1,1,0,0,0,0|0,0,1]=3 182 B10R0.71 C(CCCCS)CCCCS L07172 [1,1,0,0,0,0|0,1,1]=4 183 B10R0.71 C=CCCCCCCCCO A19490 [1,1,0,0,0,0|1,0,0]=3 184 B10R0.71 CCCCC#CCCCCO H53400 [1,1,0,0,0,0|0,0,2]=4 185 B10R0.71 CCCCCCC#CCCO B20837 [1,1,0,0,0,0|0,0,2]=4 186 B10R0.71 CCCCCCCC#CCO L05523 [1,1,0,0,0,0|0,0,2]=4 187 B10R0.71 CCCCCCCCCC#C L02883 [1,1,0,0,0,0|1,0,1]=4 188 B10R0.71 CCCCCCCCCC#N A18798 [1,1,0,0,0,0|1,0,1]=4 189 B10R0.71 CCCCCCCCCC=C H53387 [1,1,0,0,0,0|1,0,0]=3 190 B10R0.71 CCCCCCCCCC=O A11656 [1,1,0,0,0,0|0,0,0]=2 191 B10R0.71 CCCCCCCCCCBr A11340 [1,1,0,0,0,0|1,0,1]=4 192 B10R0.71 CCCCCCCCCCC 31807 [1,1,0,0,0,0|1,0,1]=4 193 B10R0.71 CCCCCCCCCCI A16173 [1,1,0,0,0,0|1,0,1]=4 194 B10R0.71 CCCCCCCCCCO A17288 [1,1,0,0,0,0|0,0,1]=3 195 B10R0.71 CCCCCCCCCCS A15913 [1,1,0,0,0,0|0,1,1]=4 196 B10R0.71 CCCCCCCCCC[Zn+] H58155 [1,1,0,0,0,0|1,0,1]=4 197 B10R0.71 CCCCCCCCN=C=O L18746 [1,1,0,0,0,0|0,0,1]=3 198 B10R0.71 CCCCCCCCN=C=S A14501 [1,1,0,0,0,0|0,1,1]=4 199 B10R0.71 CCCCCCC\C=C\C=O L05901 [1,1,0,0,0,0|0,0,1]=3 200 B10R0.71 CCCCCSCCCCC L04649 [1,1,0,0,0,0|1,0,1]=4 201 B10R0.71 CCCCC\C=C/CCC=O L06382 [1,1,0,0,0,0|0,0,1]=3 202 B10R0.71 CCCCC\C=C/CCCO A18311 [1,1,0,0,0,0|0,0,2]=4 203 B10R0.71 CCCCC\C=C\CCC=O L05715 [1,1,0,0,0,0|0,0,1]=3 204 B10R0.71 CCCCOCCOCCO A16068 [1,1,0,0,0,0|1,0,1]=4 205 B10R0.71 CCCC\C=C\CCCCO L11768 [1,1,0,0,0,0|0,0,2]=4 206 B12R0.184 COC(=O)CCCCCCC(=O)O H30325 [0,2,0,0,0,0|0,0,1]=3 207 B12R0.1 CCCCCCC#CC(=O)OCC A18790 [0,2,0,0,0,0|0,0,2]=4 208 B12R0.1 CCCCCCCCC(=O)CCC L04192 [0,2,0,0,0,0|1,0,0]=3 209 B12R0.1 CCCCCCCCC(=O)NCO A13743 [0,2,0,0,0,0|0,0,0]=2 210 B12R0.1 CCCCCCCCC(=O)OCC B24190 [0,2,0,0,0,0|0,0,0]=2 211 B12R0.1 CCCCCCCCC(CCC)O L02921 [0,2,0,0,0,0|1,0,1]=4 212 B12R0.183 COC(=O)CCCCCC(=O)OC B22026 [0,2,0,0,0,0|1,0,1]=4 213 B12R0.248 CCCCCCCCCC(=O)OC A15658 [0,2,0,0,0,0|0,0,0]=2 214 B12R0.248 CCCCCCCCOC(=O)CN L13385 [0,2,0,0,0,0|1,0,0]=3 215 B12R0.277 CCOC(=O)CCCCCC(=O)Cl H50714 [0,2,0,0,0,0|1,0,1]=4 216 B12R0.277 CCOC(=O)CCCCCC(=O)O L04025 [0,2,0,0,0,0|0,0,1]=3 217 B12R0.119 CCCCCCCCCS(=O)(=O)[O-] L06407 [0,2,0,0,0,0|1,0,1]=4 218 B12R0.119 CCCCCCCCOS(=O)(=O)[O-] A11786 [0,2,0,0,0,0|1,0,1]=4 219 B12R0.119 CCCCCCCCOS(=O)(=O)[O-] H27720 [0,2,0,0,0,0|1,0,1]=4 220 B12R0.234 B(CCCCCCCCCC)(O)O L19957 [0,2,0,0,0,0|1,0,1]=4 221 B12R0.234 C#CCCCCCCCCC(=O)O A13815 [0,2,0,0,0,0|0,0,0]=2 222 B12R0.234 C(CCCCC(=O)O)CCCCBr H60292 [0,2,0,0,0,0|0,0,0]=2 223 B12R0.234 C(CCCCC(=O)O)CCCCO H60743 [0,2,0,0,0,0|0,0,0]=2 224 B12R0.234 C=CCCCCCCCCC(=O)O A19122 [0,2,0,0,0,0|0,0,0]=2 225 B12R0.234 CCCCCCCCCCC(=O)C A18862 [0,2,0,0,0,0|1,0,0]=3 226 B12R0.234 CCCCCCCCCCC(=O)Cl H56380 [0,2,0,0,0,0|1,0,0]=3 227 B12R0.234 CCCCCCCCCCC(=O)O A11244 [0,2,0,0,0,0|0,0,0]=2 228 B12R0.234 CCCCCCCC\C=C\C(=O)O L11579 [0,2,0,0,0,0|0,0,0]=2 229 B12R0.268 C(CCCC(=O)O)CCCC(=O)O 36308 [0,2,0,0,0,0|0,0,1]=3 230 B12R0.268 C(CCCC(=O)O)CCCC(=O)O 42587 [0,2,0,0,0,0|0,0,1]=3 231 B12R0.268 C(CCCC(=O)O)CCCC(=O)O A17271 [0,2,0,0,0,0|0,0,1]=3 232 B10R1.10 CCCC1CCCC(=O)O1 L14303 [1,0,0,1,0,0|0,0,0]=2 233 B10R1.16 CCCCC1CCC(=O)O1 A18142 [1,0,0,1,0,0|0,0,0]=2 234 B10R1.18 C1CCC(=CC1)CC(=O)O 19462 [1,0,0,1,0,0|0,0,2]=4 235 B10R1.18 C1CCC(CC1)CC(=O)O H31986 [1,0,0,1,0,0|0,0,0]=2 236 B10R1.18 C1CCC(CC1)NC(=O)N B24915 [1,0,0,1,0,0|2,0,0]=4 237 B10R1.18 C1CNCCC1CC(=O)O H64031 [1,0,0,1,0,0|1,0,0]=3 238 B10R1.18 C1COCCN1CC(=O)O H61188 [1,0,0,1,0,0|2,0,0]=4 239 B10R1.18 CC(=O)CC1CCCCC1 A12748 [1,0,0,1,0,0|1,0,0]=3 240 B10R1.61 C1CC[C@@H]([C@H](C1)C(=O)O)N H52779 [1,0,0,1,0,0|1,0,0]=3 241 B10R1.61 C1CC[C@H]([C@@H](C1)C(=O)O)N H52418 [1,0,0,1,0,0|1,0,0]=3 242 B10R1.64 C1CC(C(=O)C1)CC(=O)O H26977 [1,0,0,1,0,0|1,0,1]=4 243 B10R1.66 C1CCC(C1)CCC(=O)Cl A17715 [1,0,0,1,0,0|1,0,0]=3 244 B10R1.66 C1CCC(C1)CCC(=O)O A18192 [1,0,0,1,0,0|0,0,0]=2 245 B10R1.78 C1CCCC(=O)NCCC1 A18621 [1,0,0,1,0,0|1,0,0]=3 246 B10R1.4 CCOC1CCCCC1=O H27613 [1,0,0,1,0,0|1,0,0]=3 247 B10R1.17 C1CCC(CC1)NCCO L10821 [1,0,0,1,0,0|1,0,1]=4 248 B10R1.17 CCCCC1CCCCC1 L08845 [1,0,0,1,0,0|1,0,1]=4 249 B10R1.85 C1CCCC(CC1)CCCl B21604 [1,0,0,1,0,0|1,0,1]=4 250 B10R1.85 C1CCCN(CC1)CCO L06497 [1,0,0,1,0,0|1,0,1]=4 251 B10R1.161 C1CCCC(=NO)CCC1 A16672 [1,0,0,1,0,0|1,0,1]=4 252 B10R1.161 C1CCCC(CCC1)CO B20450 [1,0,0,1,0,0|0,0,1]=3 253 B12R1.7 CCCCCCC1CCC(=O)O1 A19732 [0,1,0,1,0,0|0,0,0]=2 254 B12R1.261 C1CC[C@@H]([C@@H](C1)C(=O)O)C(=O)O L10466 [0,1,0,1,0,0|1,0,1]=4 255 B12R1.261 C1CC[C@@H]([C@H](C1)C(=O)O)C(=O)O H52290 [0,1,0,1,0,0|1,0,1]=4 256 B12R1.261 C1CC[C@H]([C@@H](C1)C(=O)O)C(=O)O H52293 [0,1,0,1,0,0|1,0,1]=4 257 B12R1.261 C1CC[C@H]([C@@H](C1)C(=O)O)C(=O)O L11288 [0,1,0,1,0,0|1,0,1]=4 258 B12R1.1 CCCCCC1CCC(=O)CC1 B22088 [0,1,0,1,0,0|1,0,0]=3 259 B12R1.43 C1CCC(CC1)C[C@@H](C(=O)O)N H65913 [0,1,0,1,0,0|0,0,0]=2 260 B12R1.21 CN1CCN(CC1)CCC(=O)O H35824 [0,1,0,1,0,0|2,0,0]=4 261 B12R1.252 C1CCC(CC1)CCCC(=O)O A16967 [0,1,0,1,0,0|0,0,0]=2 262 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] 39734 [0,1,0,1,0,0|0,0,1]=3 263 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] 39735 [0,1,0,1,0,0|0,0,1]=3 264 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] 41970 [0,1,0,1,0,0|0,0,1]=3 265 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] 43708 [0,1,0,1,0,0|0,0,1]=3 266 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] 87257 [0,1,0,1,0,0|0,0,1]=3 267 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] 87262 [0,1,0,1,0,0|0,0,1]=3 268 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] 87265 [0,1,0,1,0,0|0,0,1]=3 269 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] 87269 [0,1,0,1,0,0|0,0,1]=3 270 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] A17280 [0,1,0,1,0,0|0,0,1]=3 271 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] A17839 [0,1,0,1,0,0|0,0,1]=3 272 B12R1.252 C1CCC(CC1)CCCC(=O)[O-] B22613 [0,1,0,1,0,0|0,0,1]=3 273 B12R1.28 CCCCCC1CCCC(=O)O1 A11756 [0,1,0,1,0,0|0,0,0]=2 274 B12R1.255 C1CSSC1CCCCC(=O)O L04711 [0,1,0,1,0,0|1,0,0]=3 275 B12R2.1081 C1CCC2C(C1)C(=O)CCN2 H50180 [0,0,0,2,0,0|2,0,0]=4 276 B12R2.2028 C1CCC2C(C1)C(=O)OC2=O L20001 [0,0,0,2,0,0|1,0,1]=4 277 B12R2.2028 C1CC[C@H]2[C@@H](C1)C(=O)OC2=O A16053 [0,0,0,2,0,0|1,0,1]=4