0 B8R0.28 CC(=CCCC(=O)C)C A13335 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.28 CC(=CCOC(=O)C)C A18958 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.28 CC(=C\C=C\C(=O)C)C L09169 [0,0,0,0,0,0|1,0,3]=4 3 B8R0.28 CC(=O)CCCC(=O)O L03978 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.28 CC(=O)NCCC(=O)O H50208 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.28 CC(C)CCCC(=O)O A19012 [0,0,0,0,0,0|2,0,0]=2 6 B8R0.28 CC(C)CCCC(C)N A12017 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.28 CC(C)CCOC(=O)C B21618 [0,0,0,0,0,0|0,0,0]=0 8 B8R0.28 CC(C)CNCC(C)C L15495 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.28 CC(C)C[Al+]CC(C)C 42588 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.28 CC(C)C[Al+]CC(C)C 42589 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.28 CC(C)C[Al+]CC(C)C 42591 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.28 CC(C)C[Al+]CC(C)C 42592 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.28 CC(C)C[Al+]CC(C)C 42593 [0,0,0,0,0,0|3,0,1]=4 14 B8R0.28 CC(C)C[Al+]CC(C)C 89039 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.28 CC(C)C[Al+]CC(C)C L14718 [0,0,0,0,0,0|3,0,1]=4 16 B8R0.28 CC(CCC=C(C)C)O L09181 [0,0,0,0,0,0|3,0,0]=3 17 B8R0.28 CN(C)CCCC(=O)O A16610 [0,0,0,0,0,0|3,0,0]=3 18 B8R0.28 CN(C)CCCN(C)C A19500 [0,0,0,0,0,0|4,0,0]=4 19 B8R0.28 C[C@@H](CCC=C(C)C)O L18884 [0,0,0,0,0,0|3,0,0]=3 20 B8R0.28 C[C@H](CCC=C(C)C)O L18883 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.4 C(CCBr)CC(=O)Cl A18046 [1,0,0,0,0,0|3,0,0]=4 22 B7R0.4 C(CCBr)CC(=O)O A11765 [1,0,0,0,0,0|3,0,0]=4 23 B7R0.4 C(CCCl)CC(=O)Cl H56237 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.4 C(CCN)CC(=O)O A15043 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.4 C(CCN)CC(=O)O B24788 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.4 CC#CCCC(C)C B20881 [1,0,0,0,0,0|1,0,1]=3 27 B7R0.4 CC#CCOC(=O)C B24584 [1,0,0,0,0,0|0,0,2]=3 28 B7R0.4 CC(=O)CCCCCl H53462 [1,0,0,0,0,0|2,0,0]=3 29 B7R0.4 CC(=O)OCCCCl B25013 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.4 CC(C)CCCCBr L09486 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.4 CC(C)CCCCCl B20133 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.4 CC(C)CCON=O L13909 [1,0,0,0,0,0|1,0,0]=2 33 B7R0.4 CC(C)OCCCN B23748 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.4 CCCC#CC(=O)O L02526 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.4 CCCCCC(=O)C A10200 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.4 CCCCCC(=O)Cl B23027 [1,0,0,0,0,0|2,0,0]=3 37 B7R0.4 CCCCCC(=O)N H25929 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.4 CCCCCC(=O)O A13789 [1,0,0,0,0,0|2,0,0]=3 39 B7R0.4 CCCCCC(C)C H26220 [1,0,0,0,0,0|1,0,1]=3 40 B7R0.4 CCCCCC(C)N B22863 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.4 CCCCCC(C)N L08596 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.4 CCCCCC(C)O A18391 [1,0,0,0,0,0|1,0,2]=4 43 B7R0.4 CCCCCC(C)[Zn+] H58890 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.4 CCCCC[C@@H](C)N L19306 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.4 CCCCC[C@H](C)N L19307 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.4 CCCCC[C@H](C)O 33795 [1,0,0,0,0,0|1,0,2]=4 47 B7R0.4 CCCCNC(=O)N L02854 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.4 CCCCNC(=S)N L09654 [1,0,0,0,0,0|2,1,0]=4 49 B7R0.4 CCCCOC(=O)C 19395 [1,0,0,0,0,0|0,0,0]=1 50 B7R0.4 CCCCOC(=O)C 39197 [1,0,0,0,0,0|0,0,0]=1 51 B7R0.4 CCCCOC(=O)C A19412 [1,0,0,0,0,0|0,0,0]=1 52 B7R0.4 CCCCOC(=O)Cl B22215 [1,0,0,0,0,0|1,0,0]=2 53 B7R0.4 CCC\C=C\C(=O)C A19086 [1,0,0,0,0,0|1,0,1]=3 54 B7R0.4 CCC\C=C\C(=O)O A13571 [1,0,0,0,0,0|2,0,1]=4 55 B7R0.4 CCNCCN(C)C L03180 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.4 CNCCCN(C)C A17660 [1,0,0,0,0,0|3,0,0]=4 57 B7R0.4 COCCOC(=O)Cl H25937 [1,0,0,0,0,0|2,0,0]=3 58 B7R0.4 C\C=C\COC(=O)C L09734 [1,0,0,0,0,0|0,0,2]=3 59 B9R0.1 CC(C)C\C=C\C(=O)OC L20190 [0,1,0,0,0,0|1,0,1]=3 60 B9R0.1 CC(CCC=C(C)C)C=O 17773 [0,1,0,0,0,0|2,0,1]=4 61 B9R0.1 CN(C)CCOC(=O)C=C L13506 [0,1,0,0,0,0|1,0,1]=3 62 B9R0.7 CC(C)COC(=O)C(=C)C 41948 [0,1,0,0,0,0|3,0,0]=4 63 B9R0.53 CC(C)CC(=O)CC(=O)C A13373 [0,1,0,0,0,0|1,0,1]=3 64 B9R0.53 CC(C)C[C@@H](CC(=O)O)N H65857 [0,1,0,0,0,0|2,0,0]=3 65 B9R0.53 CC(C)OC(=O)CC(=O)C A11907 [0,1,0,0,0,0|2,0,1]=4 66 B9R0.56 CC(=O)OCC[N+](C)(C)C A11694 [0,1,0,0,0,0|1,0,0]=2 67 B9R0.56 CC(=O)OCC[N+](C)(C)C L02168 [0,1,0,0,0,0|1,0,0]=2 68 B9R0.56 CC(=O)SCC[N+](C)(C)C A16802 [0,1,0,0,0,0|1,1,0]=3 69 B9R0.56 CC(C)CCCC(C)(C)O B25691 [0,1,0,0,0,0|1,0,2]=4 70 B9R0.56 C[N+](C)(C)CCOC(=O)N L06674 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.35 C1C[C@@H](C[C@@H]1C(=O)O)N H52122 [0,0,0,1,0,0|3,0,0]=4 72 B9R1.35 C1C[C@H](C[C@H]1C(=O)O)N H52040 [0,0,0,1,0,0|3,0,0]=4 73 B9R1.35 CC(C)[C@@H]1COC(=O)N1 L14518 [0,0,0,1,0,0|1,0,0]=2 74 B9R1.35 CC(C)[C@H]1COC(=O)N1 A14029 [0,0,0,1,0,0|1,0,0]=2 75 B9R1.66 CC1(CC(=O)CCO1)C H27774 [0,0,0,1,0,0|2,0,0]=3 76 B9R1.66 CC1(CCCC(=O)C1)C H28000 [0,0,0,1,0,0|1,0,0]=2 77 B7R0.6 CC(=C)CCC(=C)C B21781 [0,0,0,0,1,0|1,0,2]=4 78 B7R0.6 CC(=O)CCC(=O)C B25686 [0,0,0,0,1,0|1,0,1]=3 79 B7R0.6 CC(=O)CCC(=O)O A10813 [0,0,0,0,1,0|2,0,1]=4 80 B7R0.6 CC(=O)COC(=O)C H31346 [0,0,0,0,1,0|1,0,1]=3 81 B7R0.6 CC(=O)OCC(=O)Cl H25797 [0,0,0,0,1,0|2,0,1]=4 82 B7R0.6 CC(C)CCC(=O)C L17584 [0,0,0,0,1,0|0,0,0]=1 83 B7R0.6 CC(C)CCC(=O)O A15405 [0,0,0,0,1,0|1,0,0]=2 84 B7R0.6 CC(C)CCC(C)C A15221 [0,0,0,0,1,0|1,0,1]=3 85 B7R0.6 CC(C)CCC(C)N L08638 [0,0,0,0,1,0|1,0,1]=3 86 B7R0.6 CC(C)COC(=O)C A14892 [0,0,0,0,1,0|0,0,0]=1 87 B7R0.6 CC(C)COC(=O)Cl A14692 [0,0,0,0,1,0|1,0,0]=2 88 B7R0.6 CC(C)\C=C\C(=O)O B22639 [0,0,0,0,1,0|1,0,2]=4 89 B7R0.6 CC(CCC(C)Br)Br L12581 [0,0,0,0,1,0|2,0,1]=4 90 B7R0.6 CC(CCC(C)O)O B25470 [0,0,0,0,1,0|1,0,2]=4 91 B7R0.6 CN(C)CCN(C)C A12536 [0,0,0,0,1,0|3,0,0]=4 92 B7R0.6 CN(C)CCN(C)C J63734 [0,0,0,0,1,0|3,0,0]=4 93 B7R0.6 CP(C)CCP(C)C B21051 [0,0,0,0,1,0|3,0,0]=4 94 B7R0.6 C[C@@H](CC[C@H](C)O)O B25539 [0,0,0,0,1,0|1,0,2]=4 95 B9R0.55 CC(=O)NCCNC(=O)C A11866 [0,0,0,0,0,1|2,0,1]=4 96 B9R0.55 CC(=O)OCCOC(=O)C 41910 [0,0,0,0,0,1|1,0,1]=3 97 B9R0.55 CC(C)CCCCC(=O)O H30392 [0,0,0,0,0,1|2,0,0]=3 98 B9R0.55 CC(C)CCCCC(C)C B21646 [0,0,0,0,0,1|2,0,1]=4 99 B9R0.55 CC(C)NCCNC(C)C A17114 [0,0,0,0,0,1|2,0,1]=4 100 B6R0.4 C(CC(=O)Cl)CBr A12094 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.4 C(CC(=O)Cl)CCl A12249 [2,0,0,0,0,0|2,0,0]=4 102 B6R0.4 C(CC(=O)O)CBr A12870 [2,0,0,0,0,0|2,0,0]=4 103 B6R0.4 C(CC(=O)O)CN A11016 [2,0,0,0,0,0|2,0,0]=4 104 B6R0.4 CC(=O)CCC=C B22505 [2,0,0,0,0,0|0,0,2]=4 105 B6R0.4 CC(=O)CCCCl A10269 [2,0,0,0,0,0|1,0,0]=3 106 B6R0.4 CC(=O)CCSC B22206 [2,0,0,0,0,0|1,0,0]=3 107 B6R0.4 CC(=O)NCCCl A11802 [2,0,0,0,0,0|2,0,0]=4 108 B6R0.4 CC(=O)NCCN L13398 [2,0,0,0,0,0|2,0,0]=4 109 B6R0.4 CC(=O)NCCO A18638 [2,0,0,0,0,0|2,0,0]=4 110 B6R0.4 CC(=O)OCC#C L10031 [2,0,0,0,0,0|0,0,2]=4 111 B6R0.4 CC(=O)OCC=C 41353 [2,0,0,0,0,0|0,0,2]=4 112 B6R0.4 CC(=O)OCSC H32310 [2,0,0,0,0,0|1,0,0]=3 113 B6R0.4 CC(C)CCC#C L06014 [2,0,0,0,0,0|0,0,2]=4 114 B6R0.4 CC(C)CCC=C B20719 [2,0,0,0,0,0|0,0,1]=3 115 B6R0.4 CC(C)CON=O L05259 [2,0,0,0,0,0|1,0,0]=3 116 B6R0.4 CCC#CC(=O)C L05315 [2,0,0,0,0,0|0,0,2]=4 117 B6R0.4 CCCCC(=O)C A14867 [2,0,0,0,0,0|0,0,0]=2 118 B6R0.4 CCCCC(=O)Cl B22637 [2,0,0,0,0,0|1,0,0]=3 119 B6R0.4 CCCCC(=O)N L14601 [2,0,0,0,0,0|1,0,0]=3 120 B6R0.4 CCCCC(=O)O A16238 [2,0,0,0,0,0|1,0,0]=3 121 B6R0.4 CCCCC(C)Br L03364 [2,0,0,0,0,0|1,0,1]=4 122 B6R0.4 CCCCC(C)O L05993 [2,0,0,0,0,0|0,0,2]=4 123 B6R0.4 CCCCC(C)[Zn+] H58543 [2,0,0,0,0,0|1,0,1]=4 124 B6R0.4 CCCC[C@@H](C)N L19304 [2,0,0,0,0,0|1,0,1]=4 125 B6R0.4 CCCC[C@H](C)N L19305 [2,0,0,0,0,0|1,0,1]=4 126 B6R0.4 CCCC[C@H](C)O L10401 [2,0,0,0,0,0|0,0,2]=4 127 B6R0.4 CCCC[Sn](=O)O A18290 [2,0,0,0,0,0|2,0,0]=4 128 B6R0.4 CCCNC(=O)N A10160 [2,0,0,0,0,0|2,0,0]=4 129 B6R0.4 CCCNC(C)C H50256 [2,0,0,0,0,0|1,0,1]=4 130 B6R0.4 CCCOC(=O)C L15355 [2,0,0,0,0,0|0,0,0]=2 131 B6R0.4 CCCSC(=O)C B21875 [2,0,0,0,0,0|0,1,0]=3 132 B6R0.4 CCOCC(=O)Cl H34443 [2,0,0,0,0,0|2,0,0]=4 133 B6R0.4 CCOCC(=O)O B24194 [2,0,0,0,0,0|2,0,0]=4 134 B6R0.4 CCOCC(C)O 43306 [2,0,0,0,0,0|1,0,1]=4 135 B6R0.4 CCSCC(=O)C L04142 [2,0,0,0,0,0|1,0,0]=3 136 B6R0.4 CCSCC(=O)O L04743 [2,0,0,0,0,0|2,0,0]=4 137 B6R0.4 CNCCN(C)C 31785 [2,0,0,0,0,0|2,0,0]=4 138 B6R0.4 CSCCC(=O)O L12861 [2,0,0,0,0,0|2,0,0]=4 139 B6R0.6 CCCCC#CC B21528 [2,0,0,0,0,0|1,0,1]=4 140 B6R0.6 CCCCCC=C L11487 [2,0,0,0,0,0|1,0,1]=4 141 B6R0.6 CCCCCC=O A16265 [2,0,0,0,0,0|1,0,0]=3 142 B6R0.6 CCCCCCC 22911 [2,0,0,0,0,0|1,0,1]=4 143 B6R0.6 CCCCCCC 32441 [2,0,0,0,0,0|1,0,1]=4 144 B6R0.6 CCCCCCC 40978 [2,0,0,0,0,0|1,0,1]=4 145 B6R0.6 CCCCCCC 44457 [2,0,0,0,0,0|1,0,1]=4 146 B6R0.6 CCCCCCC 47191 [2,0,0,0,0,0|1,0,1]=4 147 B6R0.6 CCCCCCC A19894 [2,0,0,0,0,0|1,0,1]=4 148 B6R0.6 CCCCCCC H33987 [2,0,0,0,0,0|1,0,1]=4 149 B6R0.6 CCCCCNC L04882 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.6 CCCCN=C=O L05664 [2,0,0,0,0,0|1,0,1]=4 151 B6R0.6 CCCCNCC B22881 [2,0,0,0,0,0|1,0,1]=4 152 B6R0.6 CCCCOC=C B23673 [2,0,0,0,0,0|0,0,1]=3 153 B6R0.6 CCCCOC=O A13882 [2,0,0,0,0,0|0,0,0]=2 154 B6R0.6 CCCCOCC A17963 [2,0,0,0,0,0|0,0,1]=3 155 B6R0.6 CCCCON=O H56501 [2,0,0,0,0,0|1,0,0]=3 156 B6R0.6 CCC\C=C\C=O A11513 [2,0,0,0,0,0|1,0,1]=4 157 B6R0.6 CCOCCCN B23694 [2,0,0,0,0,0|1,0,1]=4 158 B6R0.6 CCOCCOC B20819 [2,0,0,0,0,0|1,0,1]=4 159 B6R0.6 CCOCOCC B23134 [2,0,0,0,0,0|1,0,1]=4 160 B6R0.6 C\C=C/CCCO A19266 [2,0,0,0,0,0|2,0,0]=4 161 B6R0.6 C\C=C\CCCO H54459 [2,0,0,0,0,0|2,0,0]=4 162 B8R0.5 CC(COC)OC(=O)C L15459 [1,1,0,0,0,0|1,0,0]=3 163 B8R0.5 CCOC(=O)CC(C)C A10292 [1,1,0,0,0,0|0,0,2]=4 164 B8R0.6 CCCC#CC(=O)OC B23065 [1,1,0,0,0,0|1,0,1]=4 165 B8R0.6 CCCCCC(=O)C=C L07189 [1,1,0,0,0,0|1,0,1]=4 166 B8R0.6 CCCCCC(=O)CC A12113 [1,1,0,0,0,0|1,0,0]=3 167 B8R0.6 CCCCCC(=O)OC A10757 [1,1,0,0,0,0|1,0,0]=3 168 B8R0.6 CCCCOC(=O)C=C L03476 [1,1,0,0,0,0|0,0,1]=3 169 B8R0.6 CCCCOC(=O)CC B20125 [1,1,0,0,0,0|0,0,0]=2 170 B8R0.6 CCC\C=C\C(=O)OC L08030 [1,1,0,0,0,0|1,0,1]=4 171 B8R0.6 COC(=O)CCCCBr A19072 [1,1,0,0,0,0|2,0,0]=4 172 B8R0.6 COC(=O)CCCCCl B25408 [1,1,0,0,0,0|2,0,0]=4 173 B8R0.6 COC(=O)CCCSC L11000 [1,1,0,0,0,0|2,0,0]=4 174 B8R0.6 COCCOC(=O)C=C L11902 [1,1,0,0,0,0|1,0,1]=4 175 B8R0.7 C(CCC(=O)Cl)CCBr A11063 [1,1,0,0,0,0|2,0,0]=4 176 B8R0.7 C(CCC(=O)Cl)CCCl L11111 [1,1,0,0,0,0|2,0,0]=4 177 B8R0.7 C(CCC(=O)O)CCBr A15761 [1,1,0,0,0,0|2,0,0]=4 178 B8R0.7 C(CCC(=O)O)CCN A14719 [1,1,0,0,0,0|2,0,0]=4 179 B8R0.7 C(CCC(=O)O)CCO B24857 [1,1,0,0,0,0|2,0,0]=4 180 B8R0.7 CC(=O)OCCCC=C B20258 [1,1,0,0,0,0|0,0,1]=3 181 B8R0.7 CC(=O)OCCCCBr A15632 [1,1,0,0,0,0|0,0,0]=2 182 B8R0.7 CC(=O)OCCCCCl B22582 [1,1,0,0,0,0|0,0,0]=2 183 B8R0.7 CC(=O)OCCCCI H31826 [1,1,0,0,0,0|0,0,0]=2 184 B8R0.7 CC(C)CCCCCN B24746 [1,1,0,0,0,0|1,0,1]=4 185 B8R0.7 CCCCCCC(=O)C A11643 [1,1,0,0,0,0|1,0,0]=3 186 B8R0.7 CCCCCCC(=O)Cl L03315 [1,1,0,0,0,0|2,0,0]=4 187 B8R0.7 CCCCCCC(=O)O A17704 [1,1,0,0,0,0|2,0,0]=4 188 B8R0.7 CCCCCOC(=O)C L10852 [1,1,0,0,0,0|0,0,0]=2 189 B8R0.7 CCCCOCC(=O)O H50210 [1,1,0,0,0,0|1,0,0]=3 190 B8R0.7 CCCC\C=C\C(=O)C A14652 [1,1,0,0,0,0|1,0,0]=3 191 B8R0.7 CCOCCOC(=O)C A13639 [1,1,0,0,0,0|0,0,0]=2 192 B8R0.7 COCCOCC(=O)Cl L18423 [1,1,0,0,0,0|2,0,0]=4 193 B8R0.7 COCCOCC(=O)O L20090 [1,1,0,0,0,0|2,0,0]=4 194 B8R0.8 CCCCC(=O)C(=O)C A19136 [1,1,0,0,0,0|1,0,0]=3 195 B8R0.8 CCCCC(C(=O)O)Br B24228 [1,1,0,0,0,0|2,0,0]=4 196 B8R0.8 CCCCC(C(=O)O)N A10791 [1,1,0,0,0,0|2,0,0]=4 197 B8R0.8 CCCCC(C(C)C)O L03492 [1,1,0,0,0,0|1,0,1]=4 198 B8R0.8 CCCCC(C)C(=O)Cl H32829 [1,1,0,0,0,0|2,0,0]=4 199 B8R0.8 CCCCC(C)C(=O)O A11290 [1,1,0,0,0,0|2,0,0]=4 200 B8R0.8 CCCC[C@@H](C(=O)O)N L03913 [1,1,0,0,0,0|2,0,0]=4 201 B8R0.8 CCCC[C@H](C(=O)O)N L08257 [1,1,0,0,0,0|2,0,0]=4 202 B8R0.9 CC(=O)OCC(CO)O A14025 [1,1,0,0,0,0|1,0,0]=3 203 B8R0.21 CCCCOP(=O)([O-])[O-] 22404 [1,1,0,0,0,0|2,0,0]=4 204 B8R0.23 CC(C(=O)C)OC(=O)C L06927 [0,1,0,0,1,0|1,0,1]=4 205 B8R0.23 CC(C)CC(=O)C(=O)O H60076 [0,1,0,0,1,0|1,0,1]=4 206 B8R0.23 CC(C)CC(C(=O)O)N A10590 [0,1,0,0,1,0|1,0,0]=3 207 B8R0.23 CC(C)CC(C(=O)O)O H60459 [0,1,0,0,1,0|1,0,0]=3 208 B8R0.23 CC(C)CC(C(C)C)O B20578 [0,1,0,0,1,0|1,0,1]=4 209 B8R0.23 CC(C)C[C@@H](C(=O)N)N B22914 [0,1,0,0,1,0|1,0,0]=3 210 B8R0.23 CC(C)C[C@@H](C(=O)O)N A12311 [0,1,0,0,1,0|1,0,0]=3 211 B8R0.23 CC(C)C[C@H](C(=O)O)N A14842 [0,1,0,0,1,0|1,0,0]=3 212 B8R0.29 CC(=O)OCC(F)(F)F L16871 [0,1,0,0,1,0|2,0,0]=4 213 B8R0.29 CC(C)(C)NCC(=O)O H64270 [0,1,0,0,1,0|2,0,0]=4 214 B8R0.29 CC(C)(C)OCC(=O)O H35600 [0,1,0,0,1,0|2,0,0]=4 215 B8R0.29 CC(C)CCC(C)(C)O B20352 [0,1,0,0,1,0|0,0,2]=4 216 B10R0.96 CC(COC(=O)C)OC(=O)C L10593 [0,1,0,0,0,1|1,0,1]=4 217 B10R0.98 CC(=C)C(=O)OCCN(C)C L13507 [0,1,0,0,0,1|2,0,0]=4 218 B10R0.98 CC(C)CCOC(=O)C(C)C B24879 [0,1,0,0,0,1|1,0,1]=4 219 B10R0.3 CC(CCC=C(C)C)CC=O L15753 [0,2,0,0,0,0|2,0,0]=4 220 B10R0.3 CC(CCC=C(C)C)CCO A19016 [0,2,0,0,0,0|2,0,0]=4 221 B10R0.3 CCCC(=O)OCCC(C)C B21103 [0,2,0,0,0,0|0,0,0]=2 222 B10R0.3 C[C@@H](CCC=C(C)C)CCO H60174 [0,2,0,0,0,0|2,0,0]=4 223 B10R0.31 CC(CC(=O)O)CC(C)(C)C L13360 [0,2,0,0,0,0|2,0,0]=4 224 B10R0.31 CC(C[N+](C)(C)C)OC(=O)C L06848 [0,2,0,0,0,0|1,0,0]=3 225 B8R1.1 CCC1CCC(=O)C1 B20432 [1,0,0,1,0,0|1,0,0]=3 226 B8R1.1 CCC1CCC(=O)O1 A19642 [1,0,0,1,0,0|2,0,0]=4 227 B8R1.4 CC1CCCC(=O)O1 A19274 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.4 CN1CCNC(=O)C1 H57633 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.7 C1CCC(C1)C(=O)Cl A14142 [1,0,0,1,0,0|2,0,0]=4 230 B8R1.7 C1CCC(C1)C(=O)O A12375 [1,0,0,1,0,0|2,0,0]=4 231 B8R1.7 C1CCN(C1)C(=O)Cl L13396 [1,0,0,1,0,0|2,0,0]=4 232 B8R1.7 CC(=O)C1CCCC1 H64744 [1,0,0,1,0,0|1,0,0]=3 233 B8R1.22 C1CC(=O)CCNC1 H66355 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.22 C1CCC(=O)NCC1 L06999 [1,0,0,1,0,0|1,0,0]=3 235 B8R1.22 C1CCC(=O)OCC1 A10299 [1,0,0,1,0,0|0,0,0]=2 236 B8R1.22 C1CCC(=O)[N-]CC1 44686 [1,0,0,1,0,0|1,0,0]=3 237 B8R1.22 C1CCCC(=O)CC1 A13421 [1,0,0,1,0,0|1,0,0]=3 238 B8R1.22 C1CNCCNC1=O H26990 [1,0,0,1,0,0|2,0,0]=4 239 B8R1.22 C1COCCNC1=O B22406 [1,0,0,1,0,0|2,0,0]=4 240 B8R1.72 C1CCS(=O)(=O)OC1 L03992 [1,0,0,1,0,0|2,0,0]=4 241 B8R1.72 CC1(CCCNC1)C H25753 [1,0,0,1,0,0|2,0,0]=4 242 B8R1.3 C1CC(=O)CCC1=O A11100 [0,0,0,1,1,0|1,0,1]=4 243 B8R1.3 CC1CCC(=O)CC1 A13186 [0,0,0,1,1,0|0,0,0]=2 244 B8R1.3 CC1CCC(CC1)Br L02640 [0,0,0,1,1,0|1,0,1]=4 245 B8R1.3 CC1CCC(CC1)N L06125 [0,0,0,1,1,0|1,0,1]=4 246 B8R1.3 CC1CCC(CC1)O A16734 [0,0,0,1,1,0|0,0,2]=4 247 B8R1.3 CN1CCC(=O)CC1 A13352 [0,0,0,1,1,0|1,0,0]=3 248 B8R1.3 C[C@H]1CC[C@@H](CC1)O B20054 [0,0,0,1,1,0|0,0,2]=4 249 B8R1.3 C[C@H]1CC[C@H](CC1)O B20792 [0,0,0,1,1,0|0,0,2]=4 250 B8R1.51 CC1(CC(=O)NC1)C H33209 [0,0,0,1,1,0|1,0,0]=3 251 B10R1.13 CC(=O)N1CCC(CC1)N H30389 [0,1,0,1,0,0|2,0,0]=4 252 B10R1.13 CC(C)C1CCC(=O)CC1 L08863 [0,1,0,1,0,0|1,0,0]=3 253 B10R1.13 CC(C)N1CCC(=O)CC1 A11480 [0,1,0,1,0,0|2,0,0]=4 254 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O H27455 [0,1,0,1,0,0|2,0,0]=4 255 B10R1.301 CC1CCCC(C1=O)(C)C B21111 [0,1,0,1,0,0|1,0,1]=4 256 B10R1.329 CC1(CC(=CC(=O)C1)Cl)C A10728 [0,1,0,1,0,0|1,0,1]=4 257 B10R1.329 CC1(CC(=O)CC(=O)C1)C A10140 [0,1,0,1,0,0|1,0,1]=4 258 B10R1.329 CC1(CC(=O)NC(=O)C1)C B22196 [0,1,0,1,0,0|1,0,1]=4 259 B10R1.329 CC1(CC(=O)OC(=O)C1)C B25286 [0,1,0,1,0,0|0,0,1]=3 260 B10R1.329 CC1=CC(=O)CC(C1)(C)C A14844 [0,1,0,1,0,0|1,0,1]=4 261 B10R1.329 CC1CC(N=C(O1)C)(C)C B20438 [0,1,0,1,0,0|1,0,0]=3 262 B6R0.2 CC(=C)OC(=O)C A15618 [0,0,0,0,2,0|0,0,2]=4 263 B6R0.2 CC(=CC(=O)C)C A15111 [0,0,0,0,2,0|0,0,2]=4 264 B6R0.2 CC(=O)CC(=O)C A14117 [0,0,0,0,2,0|1,0,1]=4 265 B6R0.2 CC(=O)OC(=O)C 36292 [0,0,0,0,2,0|1,0,1]=4 266 B6R0.2 CC(=O)OC(=O)C L04295 [0,0,0,0,2,0|1,0,1]=4 267 B6R0.2 CC(C)CC(=C)C B20002 [0,0,0,0,2,0|1,0,0]=3 268 B6R0.2 CC(C)CC(=O)C 33346 [0,0,0,0,2,0|0,0,0]=2 269 B6R0.2 CC(C)CC(=O)C 43170 [0,0,0,0,2,0|0,0,0]=2 270 B6R0.2 CC(C)CC(=O)C A11618 [0,0,0,0,2,0|0,0,0]=2 271 B6R0.2 CC(C)CC(=O)Cl B24002 [0,0,0,0,2,0|1,0,0]=3 272 B6R0.2 CC(C)CC(=O)N L09072 [0,0,0,0,2,0|1,0,0]=3 273 B6R0.2 CC(C)CC(=O)O A18642 [0,0,0,0,2,0|1,0,0]=3 274 B6R0.2 CC(C)CC(C)C L03570 [0,0,0,0,2,0|1,0,1]=4 275 B6R0.2 CC(C)CC(C)O A13435 [0,0,0,0,2,0|0,0,2]=4 276 B6R0.2 CC(C)OC(=O)C L09337 [0,0,0,0,2,0|0,0,0]=2 277 B6R0.2 CC(C)O[N+](=O)[O-] H60247 [0,0,0,0,2,0|2,0,0]=4 278 B6R0.2 CC(CC(=O)C)[O-] 12542 [0,0,0,0,2,0|1,0,0]=3 279 B6R0.2 CC(CC(=O)C)[O-] 44538 [0,0,0,0,2,0|1,0,0]=3 280 B6R0.2 CC(CC(=O)O)Br B25684 [0,0,0,0,2,0|2,0,0]=4 281 B6R0.2 CC(CC(=O)O)O 43354 [0,0,0,0,2,0|2,0,0]=4 282 B6R0.2 CC(CC(=O)O)O H30426 [0,0,0,0,2,0|2,0,0]=4 283 B6R0.2 CC(CC(=O)[O-])O A11613 [0,0,0,0,2,0|2,0,0]=4 284 B6R0.2 CC(OC(=O)Cl)Cl L14197 [0,0,0,0,2,0|2,0,0]=4 285 B6R0.2 CC([O-])CC(=O)C 46727 [0,0,0,0,2,0|1,0,0]=3 286 B6R0.2 CN(C)CC(=O)Cl L18475 [0,0,0,0,2,0|2,0,0]=4 287 B6R0.2 CN(C)CC(=O)O A18892 [0,0,0,0,2,0|2,0,0]=4 288 B6R0.2 CN(C)CC(=O)O A19670 [0,0,0,0,2,0|2,0,0]=4 289 B6R0.2 C[C@@H](CC(C)C)O L18882 [0,0,0,0,2,0|0,0,2]=4 290 B6R0.2 C[C@H](CC(C)C)O L18881 [0,0,0,0,2,0|0,0,2]=4 291 B10R0.97 CC(C)CCOCCC(C)C A11231 [0,0,0,0,0,2|1,0,1]=4