0 B7R0.4 CC#CCCC(C)C B20881 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.4 CC(C)CCCCBr L09486 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.4 CC(C)CCCCCl B20133 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.4 CC(C)CCON=O L13909 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.4 CC(C)OCCCN B23748 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.4 CCCCCC(C)C H26220 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.4 CCCCCC(C)N B22863 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.4 CCCCCC(C)N L08596 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.4 CCCCCC(C)O A18391 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.4 CCCCCC(C)[Zn+] H58890 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.4 CCCCC[C@@H](C)N L19306 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.4 CCCCC[C@H](C)N L19307 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.4 CCCCC[C@H](C)O 33795 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.4 CCNCCN(C)C L03180 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.4 CN(C)CCCCN H50276 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.4 CN(C)CCCCN H51139 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.4 CNCCCN(C)C A17660 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.4 CC(=O)CCC=C B22505 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.4 CC(C)CCC#C L06014 [1,0,0,0,0,0|1,0,1]=3 19 B6R0.4 CC(C)CCC=C B20719 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.4 CC(C)CN=C=S A18932 [1,0,0,0,0,0|1,1,1]=4 21 B6R0.4 CC(C)CON=O L05259 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.4 CC(C)NCCN B23391 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.4 CC(C)OCCO L13241 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.4 CC(C)SCCO L05312 [1,0,0,0,0,0|1,0,2]=4 25 B6R0.4 CC(CCCBr)Br L09842 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 CCCCC(C)Br L03364 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.4 CCCCC(C)O L05993 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 CCCCC(C)[Zn+] H58543 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.4 CCCC[C@@H](C)N L19304 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.4 CCCC[C@H](C)N L19305 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.4 CCCC[C@H](C)O L10401 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.4 CCCNC(C)C H50256 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.4 CCOCC(C)O 43306 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.4 CN(C)CCCCl A15459 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.4 CN(C)CCCCl H65371 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.4 CN(C)CCCN L03539 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.4 CN(C)CCCO A12800 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.4 CNCCN(C)C 31785 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.6 C(CC=O)CC=O A10500 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.6 C(CC=O)CC=O A17876 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.6 C(CN=C=O)CCl L15993 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.6 C=CCCCCBr L12909 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.6 C=CCCCCCl H53396 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.6 C=CCCCCO A15766 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.6 C=CCCCC[Zn+] H58622 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.6 CCCCC#CC B21528 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.6 CCCCCC#C A11130 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.6 CCCCCC=C L11487 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.6 CCCCCC=O A16265 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.6 CCCCCCBr A15166 [1,0,0,0,0,0|2,0,1]=4 51 B6R0.6 CCCCCCC 22911 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.6 CCCCCCC 32441 [1,0,0,0,0,0|2,0,1]=4 53 B6R0.6 CCCCCCC 40978 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.6 CCCCCCC 44457 [1,0,0,0,0,0|2,0,1]=4 55 B6R0.6 CCCCCCC 47191 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.6 CCCCCCC A19894 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.6 CCCCCCC H33987 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.6 CCCCCCCl B22379 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.6 CCCCCCI A13784 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.6 CCCCCCN A15663 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.6 CCCCCCO A18232 [1,0,0,0,0,0|1,0,2]=4 62 B6R0.6 CCCCCCS L09659 [1,0,0,0,0,0|1,1,1]=4 63 B6R0.6 CCCCCC[Mg+] H51167 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.6 CCCCCC[Zn+] H58384 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.6 CCCCCNC L04882 [1,0,0,0,0,0|3,0,0]=4 66 B6R0.6 CCCCN=C=O L05664 [1,0,0,0,0,0|1,0,1]=3 67 B6R0.6 CCCCN=C=S A10935 [1,0,0,0,0,0|1,1,1]=4 68 B6R0.6 CCCCNCC B22881 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.6 CCCCOC=C B23673 [1,0,0,0,0,0|1,0,0]=2 70 B6R0.6 CCCCOC=O A13882 [1,0,0,0,0,0|0,0,0]=1 71 B6R0.6 CCCCOCC A17963 [1,0,0,0,0,0|1,0,1]=3 72 B6R0.6 CCCCON=O H56501 [1,0,0,0,0,0|1,0,0]=2 73 B6R0.6 CCC\C=C\C=O A11513 [1,0,0,0,0,0|1,0,1]=3 74 B6R0.6 CCOCCCN B23694 [1,0,0,0,0,0|2,0,1]=4 75 B6R0.6 CCOCCOC B20819 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.6 CCOCOCC B23134 [1,0,0,0,0,0|2,0,1]=4 77 B6R0.6 COCCOCCl L01050 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.6 C\C=C/CCCO A19266 [1,0,0,0,0,0|3,0,0]=4 79 B6R0.6 C\C=C\CCCO H54459 [1,0,0,0,0,0|3,0,0]=4 80 B6R0.6 [Li]CCCCCC 47271 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.6 [Li]CCCCCC L15102 [1,0,0,0,0,0|2,0,1]=4 82 B8R0.5 CCOC(=O)CC(C)C A10292 [0,1,0,0,0,0|1,0,2]=4 83 B8R0.7 CC(C)CCCCCN B24746 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.8 CCCCC(C(C)C)O L03492 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.9 CC(C)COC(=O)C=C L12739 [0,1,0,0,0,0|3,0,0]=4 86 B8R0.21 C[Si](C)(C)CCOCCl H55074 [0,1,0,0,0,0|1,1,1]=4 87 B8R0.28 CC(=CCCC(=O)C)C A13335 [0,1,0,0,0,0|1,0,2]=4 88 B8R0.28 CC(=CCOC(=O)C)C A18958 [0,1,0,0,0,0|0,0,2]=3 89 B8R0.28 CC(=O)CCCC(=O)O L03978 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.28 CC(C)CCCC(=O)O A19012 [0,1,0,0,0,0|1,0,0]=2 91 B8R0.28 CC(C)CCCC(C)N A12017 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.28 CC(C)CCOC(=O)C B21618 [0,1,0,0,0,0|0,0,0]=1 93 B8R0.28 CC(CCC=C(C)C)O L09181 [0,1,0,0,0,0|3,0,0]=4 94 B8R0.28 CN(C)CCCC(=O)O A16610 [0,1,0,0,0,0|2,0,0]=3 95 B8R0.28 C[C@@H](CCC=C(C)C)O L18884 [0,1,0,0,0,0|3,0,0]=4 96 B8R0.28 C[C@H](CCC=C(C)C)O L18883 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.4 C1CC(=O)CC(=O)C1 A11109 [0,0,0,1,0,0|2,0,1]=4 98 B8R1.4 CC1=CC(=O)CCC1 A15704 [0,0,0,1,0,0|1,0,2]=4 99 B8R1.4 CC1CCCC(=O)O1 A19274 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.4 CN1CCNC(=O)C1 H57633 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.4 C[C@H]1CCC[C@H](C1)O B20288 [0,0,0,1,0,0|1,0,2]=4 102 B8R1.72 CC1(CCCNC1)C H25753 [0,0,0,1,0,0|3,0,0]=4 103 B5R0.1 CC(=C)CCO B23398 [2,0,0,0,0,0|0,0,2]=4 104 B5R0.1 CC(=CC=O)C B22226 [2,0,0,0,0,0|0,0,2]=4 105 B5R0.1 CC(=CCO)C A16089 [2,0,0,0,0,0|0,0,2]=4 106 B5R0.1 CC(=CCO)C H36436 [2,0,0,0,0,0|0,0,2]=4 107 B5R0.1 CC(=O)CCO L11456 [2,0,0,0,0,0|1,0,1]=4 108 B5R0.1 CC(C)CC#C L05537 [2,0,0,0,0,0|0,0,2]=4 109 B5R0.1 CC(C)CC=C 33029 [2,0,0,0,0,0|0,0,1]=3 110 B5R0.1 CC(C)CC=C L03372 [2,0,0,0,0,0|0,0,1]=3 111 B5R0.1 CC(C)CC=O A19640 [2,0,0,0,0,0|0,0,0]=2 112 B5R0.1 CC(C)CCBr A14492 [2,0,0,0,0,0|1,0,0]=3 113 B5R0.1 CC(C)CCCl L11371 [2,0,0,0,0,0|1,0,0]=3 114 B5R0.1 CC(C)CCI L05194 [2,0,0,0,0,0|1,0,0]=3 115 B5R0.1 CC(C)CCN L02260 [2,0,0,0,0,0|1,0,0]=3 116 B5R0.1 CC(C)CCO 36716 [2,0,0,0,0,0|0,0,0]=2 117 B5R0.1 CC(C)CCO L13660 [2,0,0,0,0,0|0,0,0]=2 118 B5R0.1 CC(C)CCS L09661 [2,0,0,0,0,0|0,1,0]=3 119 B5R0.1 CC(C)CC[Zn+] H58436 [2,0,0,0,0,0|1,0,0]=3 120 B5R0.1 CC(C)CNC 42947 [2,0,0,0,0,0|1,0,1]=4 121 B5R0.1 CC(C)CNN H64287 [2,0,0,0,0,0|2,0,0]=4 122 B5R0.1 CC(C)N=C=O L16105 [2,0,0,0,0,0|1,0,1]=4 123 B5R0.1 CC(C)OC=O A17222 [2,0,0,0,0,0|0,0,0]=2 124 B5R0.1 CC(CC=C)O B20208 [2,0,0,0,0,0|1,0,1]=4 125 B5R0.1 CC(CCBr)Br B24123 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.1 CC(CCO)O A11684 [2,0,0,0,0,0|1,0,0]=3 127 B5R0.1 CC(COC)O 41547 [2,0,0,0,0,0|1,0,1]=4 128 B5R0.1 CC(COC)O L12694 [2,0,0,0,0,0|1,0,1]=4 129 B5R0.1 CC(COC)[O-] 41257 [2,0,0,0,0,0|1,0,1]=4 130 B5R0.1 CCCC(C)Br A17205 [2,0,0,0,0,0|1,0,1]=4 131 B5R0.1 CCCC(C)C L03001 [2,0,0,0,0,0|0,0,1]=3 132 B5R0.1 CCCC(C)O B21217 [2,0,0,0,0,0|1,0,1]=4 133 B5R0.1 CCCC(C)[Zn+] H58078 [2,0,0,0,0,0|1,0,1]=4 134 B5R0.1 CCC[C@H](C)O L09314 [2,0,0,0,0,0|1,0,1]=4 135 B5R0.1 CCNC(C)C L04089 [2,0,0,0,0,0|1,0,1]=4 136 B5R0.1 CN(C)CCCl A15134 [2,0,0,0,0,0|2,0,0]=4 137 B5R0.1 CN(C)CCN B20182 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.1 CN(C)CCO B23616 [2,0,0,0,0,0|1,0,0]=3 139 B5R0.1 C[C@@H](CC=C)O B25728 [2,0,0,0,0,0|1,0,1]=4 140 B5R0.1 C[C@@H](COC)N L16325 [2,0,0,0,0,0|1,0,1]=4 141 B5R0.1 C[C@H](CC=C)O B25659 [2,0,0,0,0,0|1,0,1]=4 142 B5R0.1 C[C@H](CCO)O B25124 [2,0,0,0,0,0|1,0,0]=3 143 B5R0.2 C(CO)NC=O H52345 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.2 C=CCCC=O L13351 [2,0,0,0,0,0|0,0,2]=4 145 B5R0.2 C=CCCCBr A11219 [2,0,0,0,0,0|2,0,0]=4 146 B5R0.2 C=CCCCO A11178 [2,0,0,0,0,0|2,0,0]=4 147 B5R0.2 C=CCCC[Zn+] H58177 [2,0,0,0,0,0|2,0,0]=4 148 B5R0.2 CCCCC#C A13156 [2,0,0,0,0,0|1,0,1]=4 149 B5R0.2 CCCCC#N A10306 [2,0,0,0,0,0|1,0,1]=4 150 B5R0.2 CCCCC=C B20271 [2,0,0,0,0,0|1,0,0]=3 151 B5R0.2 CCCCC=O B21389 [2,0,0,0,0,0|0,0,0]=2 152 B5R0.2 CCCCCBr A10821 [2,0,0,0,0,0|1,0,1]=4 153 B5R0.2 CCCCCC 19353 [2,0,0,0,0,0|1,0,1]=4 154 B5R0.2 CCCCCC 32454 [2,0,0,0,0,0|1,0,1]=4 155 B5R0.2 CCCCCC 39199 [2,0,0,0,0,0|1,0,1]=4 156 B5R0.2 CCCCCC 41727 [2,0,0,0,0,0|1,0,1]=4 157 B5R0.2 CCCCCC 42100 [2,0,0,0,0,0|1,0,1]=4 158 B5R0.2 CCCCCC 43263 [2,0,0,0,0,0|1,0,1]=4 159 B5R0.2 CCCCCC 47104 [2,0,0,0,0,0|1,0,1]=4 160 B5R0.2 CCCCCC L09938 [2,0,0,0,0,0|1,0,1]=4 161 B5R0.2 CCCCCC L13233 [2,0,0,0,0,0|1,0,1]=4 162 B5R0.2 CCCCCCl B24733 [2,0,0,0,0,0|1,0,1]=4 163 B5R0.2 CCCCCI B20781 [2,0,0,0,0,0|1,0,1]=4 164 B5R0.2 CCCCCN A11674 [2,0,0,0,0,0|1,0,1]=4 165 B5R0.2 CCCCCO 30898 [2,0,0,0,0,0|0,0,2]=4 166 B5R0.2 CCCCCO A13093 [2,0,0,0,0,0|0,0,2]=4 167 B5R0.2 CCCCCO H33391 [2,0,0,0,0,0|0,0,2]=4 168 B5R0.2 CCCCCS L04330 [2,0,0,0,0,0|0,1,1]=4 169 B5R0.2 CCCCC[Mg+] 41278 [2,0,0,0,0,0|1,0,1]=4 170 B5R0.2 CCCCC[Mg+] H51175 [2,0,0,0,0,0|1,0,1]=4 171 B5R0.2 CCCCC[O-] 36569 [2,0,0,0,0,0|0,0,2]=4 172 B5R0.2 CCCCC[Zn+] H58633 [2,0,0,0,0,0|1,0,1]=4 173 B5R0.2 CCCCNC B23032 [2,0,0,0,0,0|1,0,1]=4 174 B5R0.2 CCCCSC L12039 [2,0,0,0,0,0|0,1,1]=4 175 B5R0.2 CCCOC=O A18090 [2,0,0,0,0,0|0,0,0]=2 176 B5R0.2 CCC\C=C/C H53506 [2,0,0,0,0,0|1,0,1]=4 177 B5R0.2 CCC\C=C\C B22289 [2,0,0,0,0,0|1,0,1]=4 178 B5R0.2 CCC\C=C\C H53472 [2,0,0,0,0,0|1,0,1]=4 179 B5R0.2 CCOCC=C B22276 [2,0,0,0,0,0|2,0,0]=4 180 B5R0.2 CCSCC=C L12847 [2,0,0,0,0,0|2,0,0]=4 181 B5R0.2 CC\C=C\C=O L06108 [2,0,0,0,0,0|0,0,2]=4 182 B5R0.2 COCCCN B24095 [2,0,0,0,0,0|1,0,1]=4 183 B5R0.2 COCCOC 45659 [2,0,0,0,0,0|1,0,1]=4 184 B5R0.2 COCCOC A12986 [2,0,0,0,0,0|1,0,1]=4 185 B5R0.2 CSCCC=O A14774 [2,0,0,0,0,0|1,0,0]=3 186 B7R0.2 CC(C)CC(=O)OC L06241 [1,1,0,0,0,0|0,0,2]=4 187 B7R0.2 CC(C)CC(C#C)O H53490 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.2 CC(C)C[C@@H](CO)N B23745 [1,1,0,0,0,0|0,0,2]=4 189 B7R0.2 CC(C)C[C@H](CO)N L13243 [1,1,0,0,0,0|0,0,2]=4 190 B7R0.3 CCC(CCC=C)O B20128 [1,1,0,0,0,0|2,0,0]=4 191 B7R0.3 CCCCC(C)CC L12006 [1,1,0,0,0,0|1,0,1]=4 192 B7R0.5 CC(C)C(CC=C)O B20220 [1,1,0,0,0,0|1,0,0]=3 193 B7R0.5 C[C@H](C(C)C)N=C=O L20241 [1,1,0,0,0,0|1,0,1]=4 194 B7R0.6 CC(=O)CCC(=O)C B25686 [1,1,0,0,0,0|1,0,1]=4 195 B7R0.6 CC(=O)CCC(=O)O A10813 [1,1,0,0,0,0|1,0,1]=4 196 B7R0.6 CC(=O)COC(=O)C H31346 [1,1,0,0,0,0|1,0,1]=4 197 B7R0.6 CC(C)CCC(=O)C L17584 [1,1,0,0,0,0|0,0,0]=2 198 B7R0.6 CC(C)CCC(=O)O A15405 [1,1,0,0,0,0|0,0,0]=2 199 B7R0.6 CC(C)CCC(C)C A15221 [1,1,0,0,0,0|1,0,1]=4 200 B7R0.6 CC(C)CCC(C)N L08638 [1,1,0,0,0,0|1,0,1]=4 201 B7R0.6 CC(C)COC(=O)C A14892 [1,1,0,0,0,0|0,0,0]=2 202 B7R0.6 CC(C)COC(=O)Cl A14692 [1,1,0,0,0,0|0,0,0]=2 203 B7R0.6 CC(C)\C=C\C(=O)O B22639 [1,1,0,0,0,0|0,0,2]=4 204 B7R0.8 C(C(F)(F)F)OC=O H27212 [1,1,0,0,0,0|2,0,0]=4 205 B7R0.8 CCCCC(C)(C)C 41895 [1,1,0,0,0,0|1,0,1]=4 206 B7R0.8 CCCCC(C)(C)Cl B20183 [1,1,0,0,0,0|1,0,1]=4 207 B7R0.1 C=CCCCCCBr H64127 [1,1,0,0,0,0|2,0,0]=4 208 B7R0.1 CCCCCCC=C A11146 [1,1,0,0,0,0|2,0,0]=4 209 B7R0.1 CCCCCCC=O B23830 [1,1,0,0,0,0|1,0,0]=3 210 B7R0.1 CCCCCN=C=O L13399 [1,1,0,0,0,0|1,0,1]=4 211 B7R0.1 CCCCC\C=C\C L03862 [1,1,0,0,0,0|2,0,0]=4 212 B7R0.1 CCCCC\C=C\C L12606 [1,1,0,0,0,0|2,0,0]=4 213 B7R0.1 CCCCOCC=C H53408 [1,1,0,0,0,0|1,0,0]=3 214 B7R0.1 CCCCOCCO A17976 [1,1,0,0,0,0|0,0,2]=4 215 B7R0.1 CCCC\C=C\CC 43154 [1,1,0,0,0,0|2,0,0]=4 216 B7R0.1 CCCC\C=C\CO A11750 [1,1,0,0,0,0|1,0,1]=4 217 B7R0.1 CCOCCOCC L14283 [1,1,0,0,0,0|1,0,1]=4 218 B7R0.7 CCCC(CC=C)O B20591 [1,1,0,0,0,0|2,0,0]=4 219 B7R0.7 CCCC(\C=C\C)O B20057 [1,1,0,0,0,0|2,0,0]=4 220 B9R0.53 CC(C)CC(=O)CC(=O)C A13373 [0,2,0,0,0,0|1,0,1]=4 221 B9R0.53 CC(C)C[C@@H](CC(=O)O)N H65857 [0,2,0,0,0,0|1,0,0]=3 222 B9R0.1 CC(C)C\C=C\C(=O)OC L20190 [0,2,0,0,0,0|1,0,1]=4 223 B9R0.1 CC(CCC=C(C)C)C=O 17773 [0,2,0,0,0,0|1,0,1]=4 224 B9R0.1 CN(C)CCOC(=O)C=C L13506 [0,2,0,0,0,0|1,0,0]=3 225 B9R0.55 CC(=O)OCCOC(=O)C 41910 [0,2,0,0,0,0|1,0,1]=4 226 B9R0.55 CC(C)CCCCC(=O)O H30392 [0,2,0,0,0,0|1,0,0]=3 227 B9R0.56 CC(=O)OCC[N+](C)(C)C A11694 [0,2,0,0,0,0|1,0,0]=3 228 B9R0.56 CC(=O)OCC[N+](C)(C)C L02168 [0,2,0,0,0,0|1,0,0]=3 229 B9R0.56 CC(=O)SCC[N+](C)(C)C A16802 [0,2,0,0,0,0|1,1,0]=4 230 B9R0.56 C[N+](C)(C)CCOC(=O)N L06674 [0,2,0,0,0,0|1,0,0]=3 231 B7R1.2 C1C(=O)COC1=O A14079 [1,0,0,1,0,0|1,0,1]=4 232 B7R1.2 C1C(COC1=O)O L20257 [1,0,0,1,0,0|1,0,0]=3 233 B7R1.2 C1C(OC(=O)O1)F H61502 [1,0,0,1,0,0|2,0,0]=4 234 B7R1.2 C1CC(=O)CC1=O L10336 [1,0,0,1,0,0|1,0,1]=4 235 B7R1.2 C1[C@@H](CNC1=O)O H66455 [1,0,0,1,0,0|2,0,0]=4 236 B7R1.2 C1[C@@H](COC1=O)O L20256 [1,0,0,1,0,0|1,0,0]=3 237 B7R1.2 C1[C@H](CNC1=O)O H66006 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.2 C1[C@H](COC1=O)O L20255 [1,0,0,1,0,0|1,0,0]=3 239 B7R1.2 CC1=CC(=O)CC1 A13993 [1,0,0,1,0,0|0,0,2]=4 240 B7R1.2 CC1CCC(=O)C1 L04940 [1,0,0,1,0,0|0,0,0]=2 241 B7R1.2 CC1CCC(=O)O1 A18872 [1,0,0,1,0,0|1,0,0]=3 242 B7R1.2 CC1COC(=O)O1 A15552 [1,0,0,1,0,0|1,0,0]=3 243 B7R1.2 CN1CCC(=O)C1 H57585 [1,0,0,1,0,0|1,0,0]=3 244 B7R1.3 CC1CCCCC1 31861 [1,0,0,1,0,0|1,0,1]=4 245 B7R1.3 CC1CCCCC1 A16057 [1,0,0,1,0,0|1,0,1]=4 246 B7R1.3 CC1CCCNC1 L13408 [1,0,0,1,0,0|1,0,1]=4 247 B7R1.3 CC1CCNCC1 L02709 [1,0,0,1,0,0|1,0,1]=4 248 B7R1.3 CN1CCOCC1 A12158 [1,0,0,1,0,0|1,0,1]=4 249 B7R1.14 CC1(COC=N1)C A12670 [1,0,0,1,0,0|1,0,0]=3 250 B7R1.1 C1CCC(C1)C=O H56609 [1,0,0,1,0,0|1,0,0]=3 251 B7R1.1 C=CC1CCCC1 H26230 [1,0,0,1,0,0|2,0,0]=4 252 B7R1.1 CC=C1CCCC1 B20209 [1,0,0,1,0,0|2,0,0]=4 253 B7R1.4 C1CC(C(=O)C1)Cl B22573 [1,0,0,1,0,0|2,0,0]=4 254 B7R1.4 C1CNC(=O)C1O H57961 [1,0,0,1,0,0|2,0,0]=4 255 B7R1.4 C1COC(=O)C1Br A17344 [1,0,0,1,0,0|1,0,0]=3 256 B7R1.4 C1COC(=O)N1N H35648 [1,0,0,1,0,0|2,0,0]=4 257 B7R1.4 C1COC(=O)[C@H]1N B23148 [1,0,0,1,0,0|1,0,0]=3 258 B7R1.4 C1CSC(=O)C1N L09077 [1,0,0,1,0,0|1,1,0]=4 259 B7R1.4 CC1C(=O)CCO1 B20890 [1,0,0,1,0,0|2,0,0]=4 260 B7R1.4 CC1C(=O)CCS1 L10083 [1,0,0,1,0,0|2,0,0]=4 261 B7R1.4 CN1CCCC1=O 38986 [1,0,0,1,0,0|2,0,0]=4 262 B7R1.4 CN1CCCC1=O 39176 [1,0,0,1,0,0|2,0,0]=4 263 B7R1.4 CN1CCCC1=O 43741 [1,0,0,1,0,0|2,0,0]=4 264 B7R1.4 CN1CCCC1=O 43894 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.4 CN1CCCC1=O 44063 [1,0,0,1,0,0|2,0,0]=4 266 B7R1.4 CN1CCCC1=O A12260 [1,0,0,1,0,0|2,0,0]=4 267 B7R1.24 C1CCC=CCC1 H29062 [1,0,0,1,0,0|2,0,0]=4 268 B7R1.24 C1CCCOCC1 L09992 [1,0,0,1,0,0|1,0,1]=4 269 B9R1.34 CC1CC(=O)CC(=O)C1 A15280 [0,1,0,1,0,0|1,0,1]=4 270 B9R1.41 CC(=O)C1CCOC1=O B22967 [0,1,0,1,0,0|1,0,1]=4 271 B9R1.66 CC1(CC(=O)CCO1)C H27774 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.66 CC1(CCCC(=O)C1)C H28000 [0,1,0,1,0,0|1,0,0]=3 273 B9R1.1 CN1CCN(CC1)C=O L19358 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.3 CC1CCCC(=O)C1=O B22623 [0,1,0,1,0,0|1,0,1]=4 275 B9R1.35 C1C[C@@H](C[C@@H]1C(=O)O)N H52122 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.35 C1C[C@H](C[C@H]1C(=O)O)N H52040 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.35 CC(C)[C@@H]1COC(=O)N1 L14518 [0,1,0,1,0,0|0,0,0]=2 278 B9R1.35 CC(C)[C@H]1COC(=O)N1 A14029 [0,1,0,1,0,0|0,0,0]=2 279 B9R1.10 CC1(CCC(=O)C=C1)C 17162 [0,1,0,1,0,0|2,0,0]=4 280 B9R2.39 C1CC2CC1CC2=O L01491 [0,0,0,2,0,0|1,0,0]=3 281 B9R2.21 CC1CCC2C(C1)O2 H29100 [0,0,0,2,0,0|1,0,1]=4