0 B6R0.6 C#CCCCCC 75208 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.6 C#CCCCCCl 79326 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 C#CCNCC=C 68273 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C=CCCCC#N D90957 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.6 C=CCCCCC D90784 [0,0,0,0,0,0|2,0,0]=2 5 B6R0.6 C=CCC\C=C\C T71838 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.6 C=CCSCCC F13976 [0,0,0,0,0,0|3,0,0]=3 7 B6R0.6 CC#CCCCC D90868 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.6 CCCCCC#N D90798 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.6 CCCCCCN D91063 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.6 CCCCCC[Mg+] D78455 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.6 CCCCCNN AC4196 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.6 CCCCCSC D88262 [0,0,0,0,0,0|1,0,1]=2 13 B6R0.6 CCCCOCC D88684 [0,0,0,0,0,0|3,0,1]=4 14 B6R0.6 CCCC\C=C\I AT25371 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.6 CCCOCCC D91968 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.6 CCCOCCN D88415 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.6 CCCSCCC D91969 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.6 CCCSCCO D92003 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.6 COCCCNN AC7433 [0,0,0,0,0,0|2,1,0]=3 20 B6R0.6 COCCCOC D87951 [0,0,0,0,0,0|2,1,0]=3 21 B6R0.6 CSCCCC#N D86288 [0,0,0,0,0,0|1,0,1]=2 22 B6R0.6 C\C=C/CCCC D90859 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.6 C\C=C/CCCO D90944 [0,0,0,0,0,0|1,0,3]=4 24 B6R0.6 C\C=C\CCCC D90785 [0,0,0,0,0,0|2,0,1]=3 25 B6R0.6 C\C=C\CCCO D71247 [0,0,0,0,0,0|1,0,3]=4 26 B6R0.6 ClCCCCCCl D89643 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.6 N#CCCCCO D77640 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.6 NCCCCCN 24563 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.6 NOCCCON AT25379 [0,0,0,0,0,0|3,1,0]=4 30 B5R0.2 C=CCCC=C F14840 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.2 C=CCOCC D88369 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.2 C=CC\C=C\C F19222 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.2 C=COCCC A10930 [1,0,0,0,0,0|2,0,0]=3 34 B5R0.2 C=COCCCl D89212 [1,0,0,0,0,0|3,0,0]=4 35 B5R0.2 CC#CCCC D90866 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.2 CC#CCCO D92016 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.2 CCCCC#N 28441 [1,0,0,0,0,0|1,0,1]=3 38 B5R0.2 CCCCCI D91072 [1,0,0,0,0,0|1,0,1]=3 39 B5R0.2 CCCCOC D91343 [1,0,0,0,0,0|0,1,1]=3 40 B5R0.2 CCCCSC T71148 [1,0,0,0,0,0|0,0,1]=2 41 B5R0.2 CCCC[NH2+]C D91287 [1,0,0,0,0,0|1,0,1]=3 42 B5R0.2 CCCN=C=S D91136 [1,0,0,0,0,0|1,1,1]=4 43 B5R0.2 CCCOCC D90426 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 CCCSCC H10827 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.2 CCCSSC D91531 [1,0,0,0,0,0|1,0,1]=3 46 B5R0.2 CCC\C=N/O D88680 [1,0,0,0,0,0|1,0,2]=4 47 B5R0.2 CCOCCBr D95434 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 CCOCC[NH3+] D90462 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 CCO\C=C/Br 71052 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.2 CSCCC=O A10691 [1,0,0,0,0,0|0,0,0]=1 51 B5R0.2 C\C=C/OCC D90589 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.2 C\C=C\CCC D90853 [1,0,0,0,0,0|1,0,1]=3 53 B5R0.2 N#CCCCO D77639 [1,0,0,0,0,0|1,1,1]=4 54 B5R0.2 SCCCCS D88698 [1,0,0,0,0,0|0,1,1]=3 55 B7R0.1 C#CCCCCCC F10502 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.1 C#CCNCCOC AT20722 [0,1,0,0,0,0|1,1,1]=4 57 B7R0.1 C=CCCCCCC D91846 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.1 C=CCSSCCC D88487 [0,1,0,0,0,0|3,0,0]=4 59 B7R0.1 CC#CCCCCC D91805 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.1 CCCCCCC#N D90969 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.1 CCCCCCCC A10542 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.1 CCCCCCCN F17097 [0,1,0,0,0,0|2,0,1]=4 63 B7R0.1 CCCCCCOC D90977 [0,1,0,0,0,0|1,0,2]=4 64 B7R0.1 CCCCCON=O D88264 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.1 CCCCNCCN A10255 [0,1,0,0,0,0|2,0,1]=4 66 B7R0.1 CCCCSCCO T71016 [0,1,0,0,0,0|1,0,2]=4 67 B7R0.1 CCCC\C=C\CO D90932 [0,1,0,0,0,0|1,0,2]=4 68 B7R0.1 CCCNCCOC D91418 [0,1,0,0,0,0|1,1,1]=4 69 B7R0.1 CCCOCCCN D92070 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.1 CCNCCCCO D90525 [0,1,0,0,0,0|1,0,2]=4 71 B7R0.1 CC\C=C/CCCC T71802 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.1 CC\C=C\CCC=O D90892 [0,1,0,0,0,0|1,0,1]=3 73 B7R0.1 CC\C=C\CCCC D91811 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.1 CNCCCCOC AT13062 [0,1,0,0,0,0|1,0,2]=4 75 B7R0.1 C\C=C\CCCCC D91810 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.3 CCCC[C@@H](Br)CC D88770 [0,1,0,0,0,0|2,0,1]=4 77 B7R0.3 CCCC[C@@H](C)CC D91318 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.3 CC[C@H](C)CCCO T71938 [0,1,0,0,0,0|1,0,2]=4 79 B7R0.3 CSCC[C@H](N)CO A10464 [0,1,0,0,0,0|0,0,2]=3 80 B7R0.3 CSCC[C@H](N)CO F11073 [0,1,0,0,0,0|0,0,2]=3 81 B7R0.4 C=C(C)CCCCC D91350 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.4 C=CCSCC(=O)O W18604 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.4 CC(=O)NCCCO W12709 [0,1,0,0,0,0|3,0,0]=4 84 B7R0.4 CCCC#CC(=O)O D90924 [0,1,0,0,0,0|1,0,2]=4 85 B7R0.4 CCCCCC(C)C D91346 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.4 CCCCC[C@H](C)Cl D89310 [0,1,0,0,0,0|2,0,1]=4 87 B7R0.4 CCCCC[C@H](C)N E70476 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.4 CCCCC[C@H](C)O D97162 [0,1,0,0,0,0|1,0,2]=4 89 B7R0.4 CCOCCC(=O)O F11739 [0,1,0,0,0,0|2,0,0]=3 90 B7R0.4 CCOCCC(C)=O D90475 [0,1,0,0,0,0|2,0,0]=3 91 B7R0.4 CN(C)CCCCN 77514 [0,1,0,0,0,0|2,0,1]=4 92 B7R0.4 CN(C)CCCCO O11091 [0,1,0,0,0,0|1,0,2]=4 93 B7R0.4 COCCOC(=O)Cl D89328 [0,1,0,0,0,0|1,1,0]=3 94 B7R0.4 NCCCCC(=O)O T70410 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.4 O=C(O)CCCCO C72352 [0,1,0,0,0,0|2,0,0]=3 96 B7R0.7 CCCC(C)CCC D91347 [0,1,0,0,0,0|2,0,1]=4 97 B7R0.7 CSC[C@@H](O)CNN F19434 [0,1,0,0,0,0|2,0,0]=3 98 B7R1.1 CNC1CCCC1 35688 [0,0,0,1,0,0|2,0,1]=4 99 B7R1.1 CN[C@H]1CCNC1 C14693 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.1 O=C[C@H]1CCNC1 D87588 [0,0,0,1,0,0|1,0,0]=2 101 B7R1.3 C[C@@H]1C=CCCC1 D91429 [0,0,0,1,0,0|2,0,0]=3 102 B7R1.3 C[C@@H]1CC=CCC1 D91581 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.3 Cl[C@@H]1C=CCCC1 T70633 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.3 FC1CCCCC1 H10408 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.3 F[C@H]1CCCNC1 P18988 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.3 NC1CCCCC1 D89563 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.3 N[C@H]1CCCNC1 C13585 [0,0,0,1,0,0|2,0,1]=4 108 B7R1.4 CN1CCNC1=S 79553 [0,0,0,1,0,0|2,1,0]=4 109 B7R1.6 CNCC1CCC1 F20091 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.6 COCC1CCN1 P15056 [0,0,0,1,0,0|1,1,1]=4 111 B7R1.7 CCCC[C@H]1CO1 D90517 [0,0,0,1,0,0|1,0,2]=4 112 B7R1.24 C1=CCCCCC1 D89286 [0,0,0,1,0,0|2,0,0]=3 113 B7R1.24 C1CCCCCC1 D89252 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.24 C1CCCOCC1 D90874 [0,0,0,1,0,0|1,0,2]=4 115 B4R0.2 C#CCCC D91892 [2,0,0,0,0,0|0,0,2]=4 116 B4R0.2 C=CSCC D90486 [2,0,0,0,0,0|1,0,1]=4 117 B4R0.2 CC#CCC D91988 [2,0,0,0,0,0|1,0,1]=4 118 B4R0.2 CCCCC D91890 [2,0,0,0,0,0|0,0,1]=3 119 B4R0.2 CCCCN T70340 [2,0,0,0,0,0|1,0,0]=3 120 B4R0.2 CCCNN AC6659 [2,0,0,0,0,0|2,0,0]=4 121 B4R0.2 CCCOC D91344 [2,0,0,0,0,0|0,1,0]=3 122 B4R0.2 CCCON AC8673 [2,0,0,0,0,0|1,1,0]=4 123 B4R0.2 CCCSC D91585 [2,0,0,0,0,0|0,0,0]=2 124 B4R0.2 CCNCC D89660 [2,0,0,0,0,0|1,0,1]=4 125 B4R0.2 CCOC=N A11323 [2,0,0,0,0,0|2,0,0]=4 126 B4R0.2 CCSCC W13859 [2,0,0,0,0,0|1,0,1]=4 127 B4R0.2 CSCCN F53618 [2,0,0,0,0,0|1,0,0]=3 128 B4R0.2 C\C=C\CC D91989 [2,0,0,0,0,0|1,0,1]=4 129 B4R0.2 ClCCCCl D89645 [2,0,0,0,0,0|2,0,0]=4 130 B4R0.2 FCCCF F10308 [2,0,0,0,0,0|2,0,0]=4 131 B4R0.2 NCCCN D88819 [2,0,0,0,0,0|2,0,0]=4 132 B4R0.2 NCCCO D88258 [2,0,0,0,0,0|1,0,1]=4 133 B6R0.1 C#CC[C@@H](O)CC D90880 [1,1,0,0,0,0|1,0,1]=4 134 B6R0.1 C#C[C@@H](O)CCC D90806 [1,1,0,0,0,0|1,0,1]=4 135 B6R0.1 C=CC[C@@H](C)CC D91307 [1,1,0,0,0,0|1,0,0]=3 136 B6R0.1 CCC[C@@H](C)CC D91320 [1,1,0,0,0,0|1,0,1]=4 137 B6R0.1 CCC[C@@H](O)CC F16582 [1,1,0,0,0,0|1,0,1]=4 138 B6R0.1 CCC[C@H](N)CO A10465 [1,1,0,0,0,0|0,0,2]=4 139 B6R0.1 CCC[C@H](N)CO A10469 [1,1,0,0,0,0|0,0,2]=4 140 B6R0.1 CCOC(=O)C=O D78103 [1,1,0,0,0,0|1,0,1]=4 141 B6R0.1 CC[C@H](C)CCO D91364 [1,1,0,0,0,0|0,0,2]=4 142 B6R0.1 CC[C@H](C)CCO T72450 [1,1,0,0,0,0|0,0,2]=4 143 B6R0.1 CC\C=C(/C)C=O D91397 [1,1,0,0,0,0|0,0,2]=4 144 B6R0.1 COC(=O)CC=O D87670 [1,1,0,0,0,0|0,1,1]=4 145 B6R0.1 C\C=C\[C@@H](C)CC D91310 [1,1,0,0,0,0|1,0,1]=4 146 B6R0.4 C#CCCC(=O)[O-] D86943 [1,1,0,0,0,0|0,0,2]=4 147 B6R0.4 C#CCCC(C)C D91300 [1,1,0,0,0,0|1,0,1]=4 148 B6R0.4 C=C(C)CCCC D91349 [1,1,0,0,0,0|1,0,0]=3 149 B6R0.4 C=CCCC(=C)C D91319 [1,1,0,0,0,0|1,0,1]=4 150 B6R0.4 C=CCCC(C)=O D90803 [1,1,0,0,0,0|0,0,2]=4 151 B6R0.4 C=CCCC(C)C D91308 [1,1,0,0,0,0|1,0,0]=3 152 B6R0.4 CC(=O)NCCCl 57501 [1,1,0,0,0,0|2,0,0]=4 153 B6R0.4 CC(C)CCC#N F17038 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.4 CCC#CC(C)=O D90939 [1,1,0,0,0,0|0,0,2]=4 155 B6R0.4 CCCC=C(C)C T72209 [1,1,0,0,0,0|1,0,1]=4 156 B6R0.4 CCCCC(=O)Br D92781 [1,1,0,0,0,0|0,0,0]=2 157 B6R0.4 CCCCC(C)C D91294 [1,1,0,0,0,0|1,0,1]=4 158 B6R0.4 CCCC[C@H](C)Br D88771 [1,1,0,0,0,0|1,0,1]=4 159 B6R0.4 CCCC[C@H](C)Cl D89320 [1,1,0,0,0,0|1,0,1]=4 160 B6R0.4 CCCC[C@H](C)N A12776 [1,1,0,0,0,0|1,0,1]=4 161 B6R0.4 CCCC[C@H](C)O D97165 [1,1,0,0,0,0|0,0,2]=4 162 B6R0.4 CCCC[C@H](C)O D97166 [1,1,0,0,0,0|0,0,2]=4 163 B6R0.4 CN(C)CCCBr D87723 [1,1,0,0,0,0|2,0,0]=4 164 B6R0.4 CN(C)CCCCl D77998 [1,1,0,0,0,0|2,0,0]=4 165 B6R0.4 CN(C)CCCN D90413 [1,1,0,0,0,0|2,0,0]=4 166 B6R0.4 CNCCC(C)C D72652 [1,1,0,0,0,0|1,0,1]=4 167 B6R0.4 CSCCC(=O)Cl D91387 [1,1,0,0,0,0|0,0,0]=2 168 B6R0.4 C\C=C\CC(C)C D91309 [1,1,0,0,0,0|1,0,1]=4 169 B6R0.4 NC(=O)NCCCl D89211 [1,1,0,0,0,0|2,0,0]=4 170 B8R0.1 CCC[C@H](C)COC=O D90641 [0,2,0,0,0,0|1,0,0]=3 171 B8R0.4 C=CCCCCCC=C D91681 [0,2,0,0,0,0|2,0,0]=4 172 B8R0.4 C=CCCCCCCC D91747 [0,2,0,0,0,0|2,0,0]=4 173 B8R0.4 C=CCCCCCCO F14752 [0,2,0,0,0,0|2,0,0]=4 174 B8R0.4 CCCCCCCSC D90918 [0,2,0,0,0,0|1,0,1]=4 175 B8R0.4 CCCCCCN=C=O D91170 [0,2,0,0,0,0|1,0,1]=4 176 B8R0.4 CCCCCC\C=C\I AT25372 [0,2,0,0,0,0|2,0,0]=4 177 B8R0.4 C\C=C\CCCCCC D91716 [0,2,0,0,0,0|2,0,0]=4 178 B8R0.6 CCCCOC(=O)CCl D89195 [0,2,0,0,0,0|2,0,0]=4 179 B8R0.6 CCCCOC(=O)CF D90645 [0,2,0,0,0,0|2,0,0]=4 180 B8R0.6 CCCSCC(=O)OC 35926 [0,2,0,0,0,0|2,0,0]=4 181 B8R0.6 COCCOC(=O)CCl D89396 [0,2,0,0,0,0|1,1,0]=4 182 B8R0.7 C=CCCCOC(C)=O D88422 [0,2,0,0,0,0|1,0,1]=4 183 B8R0.7 C=CCOCCC(=O)O D88301 [0,2,0,0,0,0|1,0,1]=4 184 B8R0.7 CC(=O)NCCCCN H12005 [0,2,0,0,0,0|2,0,0]=4 185 B8R0.7 CCCCCO[N+](=O)[O-] D88263 [0,2,0,0,0,0|2,0,0]=4 186 B8R0.7 CCCC\C=C\C(C)=O D91847 [0,2,0,0,0,0|1,0,1]=4 187 B8R0.7 CCC\C=C/CC(=O)O D90865 [0,2,0,0,0,0|1,0,1]=4 188 B8R0.7 NCCCNCC(=O)O D88391 [0,2,0,0,0,0|2,0,0]=4 189 B8R0.8 CCCCC(=O)C(C)=O D90861 [0,2,0,0,0,0|1,0,1]=4 190 B8R0.8 NCCC[C@H](N)C(=O)O A11694 [0,2,0,0,0,0|2,0,0]=4 191 B8R0.25 CC(C)(C=O)CCC#N 55119 [0,2,0,0,0,0|2,0,0]=4 192 B8R0.5 C=C(C)C[C@@H](C)CCC D89821 [0,2,0,0,0,0|2,0,0]=4 193 B8R0.5 COCC(=O)CC(C)=O F16578 [0,2,0,0,0,0|0,1,1]=4 194 B8R0.28 CC(=O)CCOC(C)C D91116 [0,2,0,0,0,0|2,0,0]=4 195 B8R0.28 CC(C)CCCC(=O)O D91448 [0,2,0,0,0,0|1,0,0]=3 196 B8R0.28 O=C(Cl)CCCC(=O)Cl F53553 [0,2,0,0,0,0|2,0,0]=4 197 B8R0.28 O=C([O-])CCCC(=O)[O-] D90710 [0,2,0,0,0,0|2,0,0]=4 198 B8R0.22 CCC[C@@H](CC=O)SC A10718 [0,2,0,0,0,0|1,0,0]=3 199 B6R1.1 C1CCOCC1 H11250 [1,0,0,1,0,0|0,0,2]=4 200 B6R1.1 C1COCOC1 D89730 [1,0,0,1,0,0|0,1,1]=4 201 B6R1.2 C=C1CCCC1 D91403 [1,0,0,1,0,0|1,0,0]=3 202 B6R1.2 CC1=CCCC1 A10734 [1,0,0,1,0,0|1,0,0]=3 203 B6R1.2 C[C@H]1CCCN1 W10111 [1,0,0,1,0,0|1,0,1]=4 204 B6R1.2 NC1=NCCS1 D88358 [1,0,0,1,0,0|2,0,0]=4 205 B6R1.2 O=C1CCCS1 W15445 [1,0,0,1,0,0|0,0,0]=2 206 B6R1.2 OC1CCCC1 25002 [1,0,0,1,0,0|0,0,2]=4 207 B6R1.2 O[C@H]1CCNC1 O12064 [1,0,0,1,0,0|1,0,1]=4 208 B6R1.2 [Mg+]C1CCCC1 FD10627 [1,0,0,1,0,0|1,0,1]=4 209 B6R1.3 CCC[C@H]1CO1 D90574 [1,0,0,1,0,0|0,0,2]=4 210 B6R1.3 CSC[C@H]1CO1 F19305 [1,0,0,1,0,0|0,0,1]=3 211 B6R1.6 CSC1CNC1 P11945 [1,0,0,1,0,0|1,0,1]=4 212 B6R1.6 NCC1CNC1 F53083 [1,0,0,1,0,0|2,0,0]=4 213 B6R1.8 CC1CC1CO 73978 [1,0,0,1,0,0|0,0,2]=4 214 B8R1.2 C=C[C@@H]1CC=CCC1 D92779 [0,1,0,1,0,0|2,0,0]=4 215 B8R1.2 O=C[C@@H]1CC=CCC1 28448 [0,1,0,1,0,0|1,0,0]=3 216 B8R1.2 O=C[C@@H]1CCCCN1 D87999 [0,1,0,1,0,0|1,0,0]=3 217 B8R1.2 O=C[C@H]1CCCNC1 D87810 [0,1,0,1,0,0|1,0,0]=3 218 B8R1.5 CN1CCNCC1=O F11605 [0,1,0,1,0,0|1,0,0]=3 219 B8R1.5 O=C1CCNC[C@@H]1Br D88110 [0,1,0,1,0,0|2,0,0]=4 220 B8R1.5 O=C1CCOC[C@@H]1Cl F13568 [0,1,0,1,0,0|2,0,0]=4 221 B8R1.10 C=CCOC1COC1 T71214 [0,1,0,1,0,0|1,1,0]=4 222 B8R1.22 O=C1CCCCCC1 D89253 [0,1,0,1,0,0|1,0,0]=3 223 B8R1.22 O=C1CCOCCO1 T70817 [0,1,0,1,0,0|1,1,0]=4 224 B8R1.3 CN1CCC(=O)CC1 A51169 [0,1,0,1,0,0|2,0,0]=4 225 B8R1.4 C[C@H]1CCCC(=O)C1 94623 [0,1,0,1,0,0|1,0,0]=3 226 B8R1.7 NC(=O)[C@@H]1CCCN1 F16286 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.7 O=C(Cl)N1CCCC1 H10853 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.7 O=C([O-])[C@@H]1CCCN1 D75182 [0,1,0,1,0,0|2,0,0]=4 229 B8R1.18 CC1=C[C@@H](O)CC1=O E71687 [0,1,0,1,0,0|1,0,1]=4