0 B5R0.3 C=C[C@@H](C)CC D91359 [0,0,0,0,0,0|1,0,0]=1 1 B5R0.3 C=C\C(C)=C\C D91314 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.3 CC[C@H](C)CCl D89366 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 CC[C@H](C)OC D88882 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 CC[C@H](Cl)CCl D89631 [0,0,0,0,0,0|2,0,1]=3 5 B5R0.3 CC[C@H](S)CS D89045 [0,0,0,0,0,0|1,1,1]=3 6 B5R0.3 CC\C(N)=N\O V10166 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.3 COC(C)OC D89692 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.3 C[C@@H](CO)CBr D76160 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.3 C\C=C(/C)C=O D92433 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.3 C\C=C(/C)CC D91312 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.3 C\C=C(\C)CC T73073 [0,0,0,0,0,0|1,0,2]=3 12 B5R0.3 ClC[C@H](Br)CBr D89298 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.3 N#C[C@@H](Br)CBr F17522 [0,0,0,0,0,0|3,0,1]=4 14 B5R0.3 OC(CF)CF 96887 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.3 O[C@@H](CF)CCl 94770 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.1 BrCC(Br)Br D92392 [1,0,0,0,0,0|3,0,0]=4 17 B4R0.1 C#C[C@H](C)Cl T70555 [1,0,0,0,0,0|1,0,2]=4 18 B4R0.1 C#C[C@H](C)N AB10370 [1,0,0,0,0,0|1,0,2]=4 19 B4R0.1 C=C(C)CC D91286 [1,0,0,0,0,0|1,0,1]=3 20 B4R0.1 C=C(C)OC D91123 [1,0,0,0,0,0|2,0,1]=4 21 B4R0.1 C=C[C@H](C)Cl F11733 [1,0,0,0,0,0|1,0,0]=2 22 B4R0.1 CC(C)CI H11266 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 CC(C)CN D91216 [1,0,0,0,0,0|2,0,1]=4 24 B4R0.1 CC(C)NO AT14836 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 CCC(=O)Br D91967 [1,0,0,0,0,0|1,0,2]=4 26 B4R0.1 CC[C@H](C)N D86790 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 CC[Si](Cl)Cl D89935 [1,0,0,0,0,0|2,1,0]=4 28 B4R0.1 CSC(C)C D91165 [1,0,0,0,0,0|2,0,1]=4 29 B4R0.1 C[C@H](O)CBr D73281 [1,0,0,0,0,0|1,0,1]=3 30 B4R0.1 C[C@H](O)CN D91104 [1,0,0,0,0,0|1,0,1]=3 31 B4R0.1 C\C=C(/C)Br D88804 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.1 C\C=C(/C)Cl T70927 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 C\C=C(\C)Cl T70584 [1,0,0,0,0,0|1,0,2]=4 34 B4R0.1 O=C(O)CI H11974 [1,0,0,0,0,0|2,0,1]=4 35 B4R0.1 O=CC(Cl)Cl D89627 [1,0,0,0,0,0|3,0,0]=4 36 B4R0.2 C#CCCC D91892 [1,0,0,0,0,0|0,0,2]=3 37 B4R0.2 C#COCC 29666 [1,0,0,0,0,0|1,0,2]=4 38 B4R0.2 C=CCC#N H10716 [1,0,0,0,0,0|1,0,1]=3 39 B4R0.2 C=CCC=C D91889 [1,0,0,0,0,0|0,0,2]=3 40 B4R0.2 C=CSCC D90486 [1,0,0,0,0,0|1,0,0]=2 41 B4R0.2 C=C\C=C\C D91991 [1,0,0,0,0,0|0,0,2]=3 42 B4R0.2 CC#CCC D91988 [1,0,0,0,0,0|0,0,3]=4 43 B4R0.2 CCCCC D91890 [1,0,0,0,0,0|0,0,2]=3 44 B4R0.2 CCCCN T70340 [1,0,0,0,0,0|1,0,1]=3 45 B4R0.2 CCCNN AC6659 [1,0,0,0,0,0|2,0,0]=3 46 B4R0.2 CCCOC D91344 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.2 CCCON AC8673 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.2 CCCSC D91585 [1,0,0,0,0,0|1,0,1]=3 49 B4R0.2 CCNCC D89660 [1,0,0,0,0,0|1,0,2]=4 50 B4R0.2 CCOC=N A11323 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.2 CCSC#N D92318 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.2 CCSCC W13859 [1,0,0,0,0,0|1,0,2]=4 53 B4R0.2 CNCC#N D91283 [1,0,0,0,0,0|2,0,1]=4 54 B4R0.2 CNCC#N D91284 [1,0,0,0,0,0|2,0,1]=4 55 B4R0.2 CSCCN F53618 [1,0,0,0,0,0|2,0,1]=4 56 B4R0.2 C\C=C/CBr D88665 [1,0,0,0,0,0|1,0,2]=4 57 B4R0.2 C\C=C\CC D91989 [1,0,0,0,0,0|0,0,2]=3 58 B4R0.2 C\C=C\CCl D89204 [1,0,0,0,0,0|1,0,2]=4 59 B4R0.2 C\C=C\CO 41794 [1,0,0,0,0,0|1,0,2]=4 60 B4R0.2 ClCCCCl D89645 [1,0,0,0,0,0|2,0,1]=4 61 B4R0.2 Cl\C=C/CCl D78377 [1,0,0,0,0,0|2,0,1]=4 62 B4R0.2 FCCCF F10308 [1,0,0,0,0,0|2,0,1]=4 63 B4R0.2 N#CCCN AT19970 [1,0,0,0,0,0|2,0,1]=4 64 B4R0.2 NCCCN D88819 [1,0,0,0,0,0|2,0,1]=4 65 B4R0.2 NCCCO D88258 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.1 C#CC[C@@H](O)CC D90880 [0,1,0,0,0,0|0,0,2]=3 67 B6R0.1 C#C[C@@H](O)CCC D90806 [0,1,0,0,0,0|0,0,2]=3 68 B6R0.1 C=CC[C@@H](C)CC D91307 [0,1,0,0,0,0|1,0,0]=2 69 B6R0.1 C=CC[C@H](O)C=C F17450 [0,1,0,0,0,0|0,0,1]=2 70 B6R0.1 CCC[C@@H](C)CC D91320 [0,1,0,0,0,0|1,0,2]=4 71 B6R0.1 CCC[C@@H](O)CC F16582 [0,1,0,0,0,0|0,0,2]=3 72 B6R0.1 CCC[C@H](N)CO A10465 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.1 CCC[C@H](N)CO A10469 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.1 CCOC(=O)C=O D78103 [0,1,0,0,0,0|1,0,2]=4 75 B6R0.1 CCO[C@@H](Cl)CCl D89636 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.1 CC[C@H](C)CCO D91364 [0,1,0,0,0,0|1,0,2]=4 77 B6R0.1 CC[C@H](C)CCO T72450 [0,1,0,0,0,0|1,0,2]=4 78 B6R0.1 CC[C@H](C)N=C=S D91163 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.1 CC\C=C(/C)C=O D91397 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.1 COC[C@H](C)OC D90270 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.1 C[C@H](CO)CCN T71428 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.1 C\C=C\[C@@H](C)CC D91310 [0,1,0,0,0,0|1,0,0]=2 83 B6R0.1 ClC[C@@H](Cl)CCBr D88839 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.1 N#CC[C@H](O)CCl F20534 [0,1,0,0,0,0|1,0,2]=4 85 B6R0.3 C=C(C)C(=O)NC AB9741 [0,1,0,0,0,0|1,0,2]=4 86 B6R0.3 C=C(C)[C@@H](C)CC T70795 [0,1,0,0,0,0|1,0,0]=2 87 B6R0.3 CC(O)C(O)CO D88714 [0,1,0,0,0,0|1,0,1]=3 88 B6R0.3 CCC(C)C(C)O D91394 [0,1,0,0,0,0|1,0,2]=4 89 B6R0.3 CC[C@H](C)C(C)=O 29434 [0,1,0,0,0,0|1,0,1]=3 90 B6R0.3 CC[C@H](C)C(C)C D89715 [0,1,0,0,0,0|1,0,2]=4 91 B6R0.3 CC[C@H](Cl)C(=O)O T70777 [0,1,0,0,0,0|2,0,0]=3 92 B6R0.3 CC[C@H](Cl)C(=O)O T71033 [0,1,0,0,0,0|2,0,0]=3 93 B6R0.3 CC[C@H](N)C(=O)O 25311 [0,1,0,0,0,0|2,0,0]=3 94 B6R0.3 CC[C@H](N)C(N)=O 51886 [0,1,0,0,0,0|2,0,0]=3 95 B6R0.3 CC[C@H](N)C(N)=O I10148 [0,1,0,0,0,0|2,0,0]=3 96 B6R0.3 CC[C@H](O)C(=O)[O-] D90908 [0,1,0,0,0,0|1,0,0]=2 97 B6R0.3 CC[C@H](S)C(C)=O D91570 [0,1,0,0,0,0|0,1,1]=3 98 B6R0.3 CN[C@@H](C)C(=O)O AT16587 [0,1,0,0,0,0|3,0,0]=4 99 B6R0.3 CN[C@@H](C)C(=O)O FD21048 [0,1,0,0,0,0|3,0,0]=4 100 B6R0.3 CN[C@@H](C)C(C)C D77563 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.3 CS[C@@H](C)C(C)=O D91444 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.3 C\C=C(/C)C(C)C T70959 [0,1,0,0,0,0|1,0,2]=4 103 B6R0.3 NC[C@H](N)C(=O)O 36687 [0,1,0,0,0,0|3,0,0]=4 104 B6R0.3 O=C([O-])C(O)CO D90733 [0,1,0,0,0,0|2,0,0]=3 105 B6R0.8 C#C[C@@](C)(O)C=C D91483 [0,1,0,0,0,0|0,0,2]=3 106 B6R0.8 C#C[C@@](C)(O)CC D91328 [0,1,0,0,0,0|0,0,2]=3 107 B6R0.8 CCC(C)(O)CC F16452 [0,1,0,0,0,0|0,0,2]=3 108 B6R0.9 CC=C(CC)CC D90447 [0,1,0,0,0,0|1,0,2]=4 109 B6R0.9 CCC(CC)CC D90425 [0,1,0,0,0,0|1,0,2]=4 110 B6R0.9 CCC(CC)NC F11986 [0,1,0,0,0,0|1,0,2]=4 111 B6R0.9 CC[C@@H](CO)OC D91512 [0,1,0,0,0,0|1,0,1]=3 112 B6R1.2 CC1=CCCC1 A10734 [0,0,0,1,0,0|1,0,2]=4 113 B6R1.2 C[C@H]1CCCN1 W10111 [0,0,0,1,0,0|2,0,1]=4 114 B6R1.2 OC1=NNC=C1 F17284 [0,0,0,1,0,0|2,0,1]=4 115 B6R1.2 OC1=NSC=C1 AT11769 [0,0,0,1,0,0|2,0,1]=4 116 B6R1.2 OC1CCCC1 25002 [0,0,0,1,0,0|0,0,2]=3 117 B6R1.2 O[C@H]1CCNC1 O12064 [0,0,0,1,0,0|1,0,1]=3 118 B6R1.2 [Mg+]C1CCCC1 FD10627 [0,0,0,1,0,0|1,0,2]=4 119 B6R1.2 [Zr+3]C1C=CC=C1 D89476 [0,0,0,1,0,0|1,0,2]=4 120 B6R1.8 CC1CC1CO 73978 [0,0,0,1,0,0|2,0,1]=4 121 B3R0.1 C=CCN 68202 [2,0,0,0,0,0|1,0,0]=3 122 B3R0.1 C=CCS D88323 [2,0,0,0,0,0|0,1,0]=3 123 B3R0.1 C\C=C/Br 23063 [2,0,0,0,0,0|1,0,1]=4 124 B3R0.1 C\C=C/Cl D89227 [2,0,0,0,0,0|1,0,1]=4 125 B3R0.1 C\C=C\Br D88739 [2,0,0,0,0,0|1,0,1]=4 126 B3R0.1 NCCCl D87646 [2,0,0,0,0,0|2,0,0]=4 127 B3R0.1 NCCF D87785 [2,0,0,0,0,0|2,0,0]=4 128 B3R0.1 NCCN D88914 [2,0,0,0,0,0|2,0,0]=4 129 B3R0.1 NCCS D88360 [2,0,0,0,0,0|1,1,0]=4 130 B3R0.2 C=C(C)Cl D89355 [2,0,0,0,0,0|1,0,1]=4 131 B3R0.2 CC(C)N D91217 [2,0,0,0,0,0|1,0,1]=4 132 B3R0.2 CC(C)[Mg+] F20330 [2,0,0,0,0,0|1,0,1]=4 133 B3R0.2 CC(C)[O-] T72084 [2,0,0,0,0,0|0,0,2]=4 134 B3R0.2 CC(C)[O-] T72816 [2,0,0,0,0,0|0,0,2]=4 135 B3R0.2 CC(O)=S A11392 [2,0,0,0,0,0|1,0,1]=4 136 B5R0.1 C#CC[C@H](C)O F16209 [1,1,0,0,0,0|0,0,2]=4 137 B5R0.1 C=COC(C)C 28748 [1,1,0,0,0,0|1,0,0]=3 138 B5R0.1 CC(=O)\C=C\[O-] D78712 [1,1,0,0,0,0|0,0,2]=4 139 B5R0.1 CC(C)CCCl D89213 [1,1,0,0,0,0|1,0,1]=4 140 B5R0.1 CC(C)CCI D91070 [1,1,0,0,0,0|1,0,1]=4 141 B5R0.1 CC(C)CCN D91075 [1,1,0,0,0,0|1,0,1]=4 142 B5R0.1 CC(C)CCS D91090 [1,1,0,0,0,0|1,0,1]=4 143 B5R0.1 CCOC(C)C D90509 [1,1,0,0,0,0|1,0,1]=4 144 B5R0.1 CCSC(C)C D90463 [1,1,0,0,0,0|1,0,1]=4 145 B5R0.1 COC[C@H](C)N 88101 [1,1,0,0,0,0|1,0,1]=4 146 B5R0.1 COC[C@H](C)O E72455 [1,1,0,0,0,0|0,0,1]=3 147 B5R0.1 C[C@H](O)CCN C80087 [1,1,0,0,0,0|0,0,1]=3 148 B5R0.1 C\C=C\C(C)C D91327 [1,1,0,0,0,0|1,0,0]=3 149 B5R0.4 C=C[N+](C)(C)C D92352 [1,1,0,0,0,0|2,0,0]=4 150 B5R0.4 CC(C)(C)C=O D78124 [1,1,0,0,0,0|2,0,0]=4 151 B5R0.4 CCC(C)(C)C D89700 [1,1,0,0,0,0|1,0,1]=4 152 B5R0.4 CCC(C)(C)Cl D89214 [1,1,0,0,0,0|1,0,1]=4 153 B5R0.4 CCC(C)(C)[NH3+] D88364 [1,1,0,0,0,0|1,0,1]=4 154 B5R0.4 CCC(C)(Cl)Cl D89782 [1,1,0,0,0,0|1,0,1]=4 155 B5R0.5 C=C(C)C(C)=O D87596 [1,1,0,0,0,0|0,0,2]=4 156 B5R0.5 C=C(C)C(C)C D89792 [1,1,0,0,0,0|1,0,0]=3 157 B5R0.5 CC(=O)[C@H](C)O D93492 [1,1,0,0,0,0|0,0,1]=3 158 B5R0.5 CC(C)C(=O)Br D91083 [1,1,0,0,0,0|2,0,0]=4 159 B5R0.5 CC(Cl)C(C)Cl D89633 [1,1,0,0,0,0|1,0,1]=4 160 B5R0.5 C[C@H](Cl)C(Cl)Cl D92379 [1,1,0,0,0,0|2,0,0]=4 161 B5R0.5 C[C@H](N)C(N)=O FD21068 [1,1,0,0,0,0|2,0,0]=4 162 B5R0.5 C[C@H](O)C(N)=O D91225 [1,1,0,0,0,0|1,0,0]=3 163 B5R0.2 C=CCCC=C F14840 [1,1,0,0,0,0|0,0,1]=3 164 B5R0.2 C=CCOCC D88369 [1,1,0,0,0,0|0,0,0]=2 165 B5R0.2 C=CC\C=C\C F19222 [1,1,0,0,0,0|0,0,1]=3 166 B5R0.2 C=COCCC A10930 [1,1,0,0,0,0|0,0,0]=2 167 B5R0.2 C=COCCCl D89212 [1,1,0,0,0,0|1,0,0]=3 168 B5R0.2 CC#CCCC D90866 [1,1,0,0,0,0|0,0,2]=4 169 B5R0.2 CCCCC#N 28441 [1,1,0,0,0,0|0,0,2]=4 170 B5R0.2 CCCCCI D91072 [1,1,0,0,0,0|0,0,2]=4 171 B5R0.2 CCCCOC D91343 [1,1,0,0,0,0|0,0,2]=4 172 B5R0.2 CCCCSC T71148 [1,1,0,0,0,0|0,0,2]=4 173 B5R0.2 CCCC[NH2+]C D91287 [1,1,0,0,0,0|0,0,2]=4 174 B5R0.2 CCCN=C=S D91136 [1,1,0,0,0,0|1,0,1]=4 175 B5R0.2 CCCOCC D90426 [1,1,0,0,0,0|0,0,2]=4 176 B5R0.2 CCCSCC H10827 [1,1,0,0,0,0|0,0,2]=4 177 B5R0.2 CCCSSC D91531 [1,1,0,0,0,0|1,0,1]=4 178 B5R0.2 CCC\C=N/O D88680 [1,1,0,0,0,0|1,0,0]=3 179 B5R0.2 CCOCCBr D95434 [1,1,0,0,0,0|1,0,1]=4 180 B5R0.2 CCOCC[NH3+] D90462 [1,1,0,0,0,0|1,0,1]=4 181 B5R0.2 CCO\C=C/Br 71052 [1,1,0,0,0,0|1,0,0]=3 182 B5R0.2 CC\C=C/CC D90855 [1,1,0,0,0,0|0,0,2]=4 183 B5R0.2 CC\C=C/CO 23141 [1,1,0,0,0,0|0,0,2]=4 184 B5R0.2 CC\C=C\CC D82999 [1,1,0,0,0,0|0,0,2]=4 185 B5R0.2 CSCCC=O A10691 [1,1,0,0,0,0|1,0,0]=3 186 B5R0.2 C\C=C/C=C/C D90841 [1,1,0,0,0,0|0,0,2]=4 187 B5R0.2 C\C=C/OCC D90589 [1,1,0,0,0,0|1,0,0]=3 188 B5R0.2 C\C=C\CCC D90853 [1,1,0,0,0,0|0,0,0]=2 189 B5R0.2 N#CCCCO D77639 [1,1,0,0,0,0|1,0,1]=4 190 B5R0.2 NOC\C=C\Cl C16845 [1,1,0,0,0,0|2,0,0]=4 191 B5R0.2 SCCCCS D88698 [1,1,0,0,0,0|1,0,1]=4 192 B7R0.2 C#C[C@@H](O)CC(C)C D91415 [0,2,0,0,0,0|0,0,2]=4 193 B7R0.2 CC[C@H](C)OC(=O)Cl F11295 [0,2,0,0,0,0|2,0,0]=4 194 B7R0.3 C=CC(=O)NCCN F11988 [0,2,0,0,0,0|0,0,2]=4 195 B7R0.3 C=CC(=O)OCCCl F20423 [0,2,0,0,0,0|0,0,2]=4 196 B7R0.3 CC\C=C\[C@@H](C)CC T71711 [0,2,0,0,0,0|1,0,0]=3 197 B7R0.5 CCC[C@H](C)C(C)=O T72174 [0,2,0,0,0,0|1,0,1]=4 198 B7R0.5 CCC[C@H](N)C(=O)O 69024 [0,2,0,0,0,0|2,0,0]=4 199 B7R0.5 CCC[C@H](O)C(C)C D91474 [0,2,0,0,0,0|0,0,2]=4 200 B7R0.5 CCO[C@@H](C)C(=O)O AC6305 [0,2,0,0,0,0|2,0,0]=4 201 B7R0.5 C[C@@H](CCCl)C(=O)Cl AC1921 [0,2,0,0,0,0|2,0,0]=4 202 B7R0.5 NCC[C@H](N)C(=O)O W10603 [0,2,0,0,0,0|2,0,0]=4 203 B7R0.5 N[C@@H](CCS)C(=O)O D90809 [0,2,0,0,0,0|2,0,0]=4 204 B7R0.5 O=C(Cl)[C@@H](Br)CCBr D87595 [0,2,0,0,0,0|2,0,0]=4 205 B7R0.7 CSC[C@@H](O)CNN F19434 [0,2,0,0,0,0|1,0,1]=4 206 B7R0.10 C=CC(O)C(O)C=C D90954 [0,2,0,0,0,0|0,0,1]=3 207 B7R0.10 C=C[C@H](O)C(=O)OC T72662 [0,2,0,0,0,0|0,0,1]=3 208 B7R0.10 CC[C@H](N)C(=O)OC F19412 [0,2,0,0,0,0|1,0,1]=4 209 B7R0.10 OC(CCl)C(O)CCl D90188 [0,2,0,0,0,0|1,0,1]=4 210 B7R0.10 O[C@@H](CS)[C@@H](O)CS D97824 [0,2,0,0,0,0|1,0,1]=4 211 B7R0.10 O[C@H](CCl)[C@@H](O)CCl D90186 [0,2,0,0,0,0|1,0,1]=4 212 B7R0.11 C=CC[C@@](C)(O)CC 91346 [0,2,0,0,0,0|0,0,0]=2 213 B7R0.12 C=CCN(CC)CC D89806 [0,2,0,0,0,0|2,0,0]=4 214 B7R0.12 CCCC(OC)OC A11051 [0,2,0,0,0,0|1,0,1]=4 215 B7R0.12 COC(CCCl)OC D89518 [0,2,0,0,0,0|1,0,1]=4 216 B7R0.13 C#C[C@@](C)(O)C(C)C T70305 [0,2,0,0,0,0|0,0,2]=4 217 B7R0.15 CC(C)[C@H](C#N)C=O 81908 [0,2,0,0,0,0|2,0,0]=4 218 B7R0.15 CN[C@@H](CO)C(=O)O F10793 [0,2,0,0,0,0|2,0,0]=4 219 B7R0.16 CC(C)[C@H](Cl)C(=O)O C15445 [0,2,0,0,0,0|2,0,0]=4 220 B7R0.16 CC(C)[C@H]([15NH2])C(=O)O 41398 [0,2,0,0,0,0|2,0,0]=4 221 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O I10653 [0,2,0,0,0,0|2,0,0]=4 222 B7R0.18 C#CC(O)(CC)CC 20518 [0,2,0,0,0,0|0,0,2]=4 223 B7R0.18 CCC(C)(CO)CO S10151 [0,2,0,0,0,0|1,0,1]=4 224 B7R0.18 CCC(O)(CC)CC D90446 [0,2,0,0,0,0|0,0,2]=4 225 B5R1.2 OC1CNC1 S11377 [1,0,0,1,0,0|1,0,1]=4 226 B5R1.3 CC[C@H]1CO1 D89036 [1,0,0,1,0,0|0,0,1]=3 227 B5R1.3 FC[C@H]1CO1 AT22387 [1,0,0,1,0,0|1,0,1]=4 228 B5R1.4 C[C@@H]1O[C@@H]1C D85879 [1,0,0,1,0,0|0,0,1]=3 229 B5R1.5 CC1(N)CC1 W10114 [1,0,0,1,0,0|1,0,1]=4 230 B5R1.1 C1=CCC=C1 D88992 [1,0,0,1,0,0|0,0,2]=4 231 B7R1.1 C=CC1=NCCO1 L10092 [0,1,0,1,0,0|0,0,1]=3 232 B7R1.1 CCC1=CC=CN1 D90555 [0,1,0,1,0,0|1,0,1]=4 233 B7R1.1 CCN1C=CC=C1 F17504 [0,1,0,1,0,0|2,0,0]=4 234 B7R1.1 COC1=CC=CO1 F10347 [0,1,0,1,0,0|1,0,1]=4 235 B7R1.1 NCC1=CC=CO1 AT17186 [0,1,0,1,0,0|1,0,1]=4 236 B7R1.1 NCC1=NOC=C1 38445 [0,1,0,1,0,0|1,0,1]=4 237 B7R1.1 NC[C@H]1CCCO1 S10918 [0,1,0,1,0,0|1,0,1]=4 238 B7R1.1 O=C[C@H]1CCNC1 D87588 [0,1,0,1,0,0|2,0,0]=4 239 B7R1.1 OC[C@H]1CCCN1 11149 [0,1,0,1,0,0|1,0,1]=4 240 B7R1.2 CC1CCC(O)C1 D76706 [0,1,0,1,0,0|0,0,2]=4 241 B7R1.3 C[C@@H]1C=CCCC1 D91429 [0,1,0,1,0,0|1,0,0]=3 242 B7R1.3 C[C@@H]1CC=CCC1 D91581 [0,1,0,1,0,0|1,0,0]=3 243 B7R1.3 Cl[C@@H]1C=CCCC1 T70633 [0,1,0,1,0,0|1,0,0]=3 244 B7R1.4 CN1N=CC=C1O AT12748 [0,1,0,1,0,0|1,0,1]=4 245 B7R1.4 O[C@H]1CCC[C@@H]1O F52991 [0,1,0,1,0,0|0,0,2]=4 246 B7R1.4 O[C@H]1COC[C@H]1O P15622 [0,1,0,1,0,0|1,0,1]=4 247 B7R1.10 C=C1CC(CN)C1 AT20250 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.25 NCC1(O)CCC1 F53390 [0,1,0,1,0,0|1,0,1]=4 249 B7R1.12 CC1CC1C(=O)Cl 79530 [0,1,0,1,0,0|2,0,0]=4 250 B7R1.12 CC1CC1C(=O)O 79585 [0,1,0,1,0,0|2,0,0]=4 251 B7R1.12 CC1CC1C(N)=O CS1530 [0,1,0,1,0,0|2,0,0]=4 252 B7R1.19 CC(=O)C1(C)CC1 AT13304 [0,1,0,1,0,0|1,0,1]=4 253 B7R1.14 O=S1(=O)C=CCC1 C80036 [0,1,0,1,0,0|1,0,1]=4