0 B6R0.4 CC(=O)CCCN C77428 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.4 FC(F)OCCBr AT14902 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.4 NCC#CC(=O)O AT20731 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.4 NCCOC(F)F AT12486 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.4 NC\C=C/C(=O)O AT20734 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.4 NC\C=C\C(=O)O AT20733 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.4 O=C(O)C#CCCl D85992 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.4 OCCOC(F)F 89958 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 C=C(C)C#CC AT18764 [1,0,0,0,0,0|1,0,2]=4 9 B5R0.1 CCSC(=S)[S-] 78627 [1,0,0,0,0,0|1,2,0]=4 10 B5R0.1 CNC[C@H](C)O C77457 [1,0,0,0,0,0|1,0,2]=4 11 B5R0.1 COCC(=N)N D87837 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.1 C[C@H](F)CCN D76461 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 C[C@H](N)CCF AT11794 [1,0,0,0,0,0|2,0,1]=4 14 B5R0.1 C[C@H](O)CCN D77178 [1,0,0,0,0,0|1,0,2]=4 15 B5R0.1 C[S@](=O)CCN AT24515 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.2 CCNCCS AT25561 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.2 CCOCC=O AT18655 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.2 CNCCCF AT22549 [1,0,0,0,0,0|3,0,0]=4 19 B5R0.2 CSSCCN AT25568 [1,0,0,0,0,0|2,1,0]=4 20 B5R0.2 O=CCCCBr AT24507 [1,0,0,0,0,0|2,0,0]=3 21 B7R0.2 CN[C@@H](C)CC(=O)O D72538 [0,1,0,0,0,0|3,0,0]=4 22 B7R0.2 NC[C@@H](F)CC(=O)O AT24734 [0,1,0,0,0,0|3,0,0]=4 23 B7R0.2 N[C@H](CF)CC(=O)O AT24444 [0,1,0,0,0,0|3,0,0]=4 24 B7R0.2 N[C@H](CF)CC(=O)O AT24502 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.2 N[C@H](CF)CC(=O)O AT24503 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.3 C#CCOC(=O)NO AT18211 [0,1,0,0,0,0|1,0,2]=4 27 B7R0.3 CCONC(=O)CO AT24923 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.3 COC(=O)C#CCN AT20732 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.3 C\C=C(/C)CCCC T72329 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.3 O=C(CO)NCCO D86391 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.4 CCCCC[13C](=O)O 41454 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.4 CNCCOC(F)F AT24686 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.4 C[S@](=O)CCCCN AT23964 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.4 FC(F)OCCCBr AT14903 [0,1,0,0,0,0|2,0,1]=4 35 B7R0.4 NCCCCC(N)=O D77059 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.4 O=C(O)COCCBr C70239 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.4 O=C(O)COCCF AT25496 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.5 NCC[C@H](F)C(=O)O AT24736 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.5 NCC[C@H](O)C(=O)O AT18032 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.6 C[C@H](N)CCC(=O)O D75535 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.6 C[C@H](N)COC(F)F AT11802 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.6 C[C@H](N)COC(F)F AT11804 [0,1,0,0,0,0|2,0,1]=4 43 B7R0.6 C[C@H](N)COC(F)F AT14502 [0,1,0,0,0,0|2,0,1]=4 44 B7R0.6 C[C@H](N)COC(F)F AT14505 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.6 C[C@H](N)COC(F)F AT14898 [0,1,0,0,0,0|2,0,1]=4 46 B7R0.6 O=C(O)CCC(F)F P19183 [0,1,0,0,0,0|3,0,0]=4 47 B7R0.8 CP(C)(=O)CCCN AT13346 [0,1,0,0,0,0|3,0,0]=4 48 B7R0.8 CP(C)(=O)CCCN AT13377 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.8 CS(C)(=O)=NCCN AT25739 [0,1,0,0,0,0|3,0,0]=4 50 B7R1.2 C[C@H]1CC(=O)CN1 AT25616 [0,0,0,1,0,0|2,0,0]=3 51 B7R1.2 C[C@H]1CC(=O)CN1 AT25617 [0,0,0,1,0,0|2,0,0]=3 52 B7R1.2 C[C@H]1CC(=O)CN1 AT25618 [0,0,0,1,0,0|2,0,0]=3 53 B7R1.2 C[C@H]1CC(=O)CN1 C92326 [0,0,0,1,0,0|2,0,0]=3 54 B7R1.2 C[C@H]1CC(=O)CN1 C92327 [0,0,0,1,0,0|2,0,0]=3 55 B7R1.2 C[C@H]1CC[C@H](C)N1 32834 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.2 C[C@H]1C[C@@H](C)CN1 87739 [0,0,0,1,0,0|2,0,1]=4 57 B7R1.2 C[C@H]1C[C@@H](C)CN1 87744 [0,0,0,1,0,0|2,0,1]=4 58 B7R1.2 N[C@@H]1CNC(=O)C1 D72849 [0,0,0,1,0,0|2,0,0]=3 59 B7R1.2 O=C1CSC(=O)C1 AT24293 [0,0,0,1,0,0|1,1,1]=4 60 B7R1.3 C=C1CCNCC1 D77655 [0,0,0,1,0,0|3,0,0]=4 61 B7R1.3 N[C@@H]1CCCCN1 F13375 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.5 CCC[C@@H]1ON1C C11697 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.7 OCCOC1CC1 AT11518 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.10 CO[C@H]1CC(=O)N1 D72811 [0,0,0,1,0,0|2,0,0]=3 65 B7R1.10 CSC1CC(=O)C1 AT20150 [0,0,0,1,0,0|2,0,0]=3 66 B7R1.10 O=C1C[C@H](CBr)O1 AC5920 [0,0,0,1,0,0|1,0,0]=2 67 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12316 [0,0,0,1,0,0|2,0,0]=3 68 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12373 [0,0,0,1,0,0|2,0,0]=3 69 B7R1.12 O=C(O)[C@@H]1C[C@@H]1Br E73137 [0,0,0,1,0,0|3,0,0]=4 70 B7R1.12 O=C(O)[C@H]1C[C@@H]1I CS3435 [0,0,0,1,0,0|3,0,0]=4 71 B7R1.18 CC(=O)C1CNC1 C14559 [0,0,0,1,0,0|2,0,0]=3 72 B7R1.18 NC(=O)N1CCC1 D77052 [0,0,0,1,0,0|2,0,0]=3 73 B7R1.18 NC(=O)[C@@H]1CCN1 AT22807 [0,0,0,1,0,0|3,0,0]=4 74 B7R1.18 O=C(Cl)C1COC1 AT24224 [0,0,0,1,0,0|3,0,0]=4 75 B7R1.18 O=[S@](O)C1CCC1 AT20162 [0,0,0,1,0,0|3,0,0]=4 76 B7R1.20 NC(=O)CC1CC1 D72924 [0,0,0,1,0,0|2,0,0]=3 77 B7R1.20 O=C(Cl)OC1CC1 C77415 [0,0,0,1,0,0|1,0,0]=2 78 B7R1.20 O=C(O)C=C1CC1 AT21198 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.23 CC1(C)O[C@H]1CBr AC8137 [0,0,0,1,0,0|2,0,1]=4 80 B4R0.2 NOCCF AT14503 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.1 CCC[C@H](N)CF AC5307 [1,1,0,0,0,0|1,0,1]=4 82 B6R0.1 CCC[C@H](N)CF AC7092 [1,1,0,0,0,0|1,0,1]=4 83 B6R0.1 COCC(=O)CBr AT12825 [1,1,0,0,0,0|1,0,0]=3 84 B6R0.1 NCCC(=O)NO AT14832 [1,1,0,0,0,0|2,0,0]=4 85 B6R0.2 CC(N)CC(C)O AT23544 [1,1,0,0,0,0|0,0,2]=4 86 B6R0.2 C[C@H](N)CN(C)C AT11416 [1,1,0,0,0,0|2,0,0]=4 87 B6R0.3 NC[C@H](F)C(=O)O 94834 [1,1,0,0,0,0|2,0,0]=4 88 B6R0.3 NC[C@H](F)C(=O)O 94835 [1,1,0,0,0,0|2,0,0]=4 89 B6R0.3 N[C@@H](CF)C(=O)O AT23058 [1,1,0,0,0,0|2,0,0]=4 90 B6R0.3 N[C@@H](CF)C(=O)O AT23059 [1,1,0,0,0,0|2,0,0]=4 91 B6R0.3 N[C@@H](CF)C(=O)O FD21128 [1,1,0,0,0,0|2,0,0]=4 92 B6R0.6 COCOCCN AC9200 [1,1,0,0,0,0|1,0,1]=4 93 B6R0.6 CSCCN=C=O AT25543 [1,1,0,0,0,0|1,0,1]=4 94 B6R0.6 NCCOCCS AT12749 [1,1,0,0,0,0|1,0,1]=4 95 B6R0.6 O=CNCCCF AT22548 [1,1,0,0,0,0|1,0,0]=3 96 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O D76826 [0,2,0,0,0,0|2,0,0]=4 97 B8R0.2 CC[C@H](C)[C@H]([15NH2])C(=O)O 41457 [0,2,0,0,0,0|2,0,0]=4 98 B8R0.5 NCC[C@H](O)CC(=O)O W16189 [0,2,0,0,0,0|2,0,0]=4 99 B8R0.19 COC(=O)C[C@H](C)CBr AT23326 [0,2,0,0,0,0|2,0,0]=4 100 B8R0.19 COC(=O)C[C@H](C)CBr AT23327 [0,2,0,0,0,0|2,0,0]=4 101 B8R0.23 CC(C)C[C@H](Br)C(=O)O AT22422 [0,2,0,0,0,0|2,0,0]=4 102 B8R0.34 CC(=O)OC(C)(C)CO C90621 [0,2,0,0,0,0|1,0,0]=3 103 B8R0.1 N#CCC(=O)OCCN D76753 [0,2,0,0,0,0|1,0,0]=3 104 B8R0.1 N#CCC(=O)OCCN D76754 [0,2,0,0,0,0|1,0,0]=3 105 B8R0.1 NOCC(=O)NCCO AT10370 [0,2,0,0,0,0|2,0,0]=4 106 B8R0.3 COC(=O)[C@@H](C)CCBr AT23330 [0,2,0,0,0,0|2,0,0]=4 107 B8R0.6 CCCCOC(=O)C=O 39366 [0,2,0,0,0,0|0,0,1]=3 108 B8R0.6 COC(=O)C#CCCO AT15754 [0,2,0,0,0,0|1,0,1]=4 109 B8R0.8 CCCCC(=O)C(=O)[O-] D88060 [0,2,0,0,0,0|1,0,1]=4 110 B8R0.8 CSCC[C@H](N)C(N)=O F10892 [0,2,0,0,0,0|2,0,0]=4 111 B8R0.8 NCCC[C@H](O)C(=O)O D76509 [0,2,0,0,0,0|2,0,0]=4 112 B8R0.9 COC(=O)CC[C@H](C)Br AT23331 [0,2,0,0,0,0|1,0,0]=3 113 B8R0.9 COC(=O)\C=C\C(C)C D77192 [0,2,0,0,0,0|1,0,1]=4 114 B8R0.9 NC[C@@H](N)CCC(=O)O AT25327 [0,2,0,0,0,0|2,0,0]=4 115 B8R0.7 CC(=O)CCCN=[N+]=[N-] AC8739 [0,2,0,0,0,0|2,0,0]=4 116 B8R0.7 CC(=O)NCCCON D77273 [0,2,0,0,0,0|1,0,0]=3 117 B8R0.21 C[Si](C)(C)OCCCI AC8769 [0,2,0,0,0,0|1,1,0]=4 118 B8R0.28 O=C(O)COCC(F)F AT25472 [0,2,0,0,0,0|2,0,0]=4 119 B8R0.12 CCC[C@](C)(N)C(=O)O AT19790 [0,2,0,0,0,0|2,0,0]=4 120 B8R0.29 CC(F)(F)CCC(=O)O D86382 [0,2,0,0,0,0|2,0,0]=4 121 B8R0.29 [2H]C([2H])(C)CCC(=O)O D97943 [0,2,0,0,0,0|2,0,0]=4 122 B6R1.2 CC1=NNCC1 D76466 [1,0,0,1,0,0|2,0,0]=4 123 B6R1.5 C[C@H]1C[C@@H](O)C1 P20283 [1,0,0,1,0,0|0,0,2]=4 124 B6R1.5 O=C1C[C@H](F)N1 D72810 [1,0,0,1,0,0|2,0,0]=4 125 B6R1.11 O=[N+]([O-])C1CC1 AT19034 [1,0,0,1,0,0|2,0,0]=4 126 B6R1.4 CC1CNC1C E72893 [1,0,0,1,0,0|1,0,1]=4 127 B6R1.4 N[C@H]1CCC1=O AT24523 [1,0,0,1,0,0|2,0,0]=4 128 B6R1.4 N[C@H]1CNC1=O P16451 [1,0,0,1,0,0|2,0,0]=4 129 B6R1.4 N[C@H]1CNC1=O P18336 [1,0,0,1,0,0|2,0,0]=4 130 B6R1.4 O=C1CC[C@@H]1O 94997 [1,0,0,1,0,0|2,0,0]=4 131 B6R1.4 O=C1NC[C@@H]1O D77141 [1,0,0,1,0,0|2,0,0]=4 132 B6R1.6 O=CC1CSC1 AT24592 [1,0,0,1,0,0|2,0,0]=4 133 B8R1.1 CO[C@@H]1C=CC(=O)C1 AT12708 [0,1,0,1,0,0|1,0,1]=4 134 B8R1.1 CO[C@@H]1CNC(=O)C1 AT19116 [0,1,0,1,0,0|1,0,0]=3 135 B8R1.1 NC[C@@H]1CNC(=O)C1 33527 [0,1,0,1,0,0|1,0,0]=3 136 B8R1.1 NC[C@H]1CNC(=O)O1 P14474 [0,1,0,1,0,0|1,0,0]=3 137 B8R1.1 NC[C@H]1COC(=O)N1 P14076 [0,1,0,1,0,0|1,0,0]=3 138 B8R1.1 O=C1C=C[C@H](CBr)O1 AC6821 [0,1,0,1,0,0|1,0,1]=4 139 B8R1.1 O=C1CC[C@H](CBr)N1 W15281 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.1 O=C1CC[C@H](CCl)C1 AT22684 [0,1,0,1,0,0|1,0,0]=3 141 B8R1.1 O=C1CC[C@H](CI)C1 AT22686 [0,1,0,1,0,0|1,0,0]=3 142 B8R1.1 O=C1C[C@H](CI)CN1 E72920 [0,1,0,1,0,0|1,0,0]=3 143 B8R1.4 C[C@H]1CC(=O)CCO1 P11762 [0,1,0,1,0,0|1,0,0]=3 144 B8R1.4 C[C@H]1COC[C@H](C)N1 D72922 [0,1,0,1,0,0|1,0,1]=4 145 B8R1.4 C[C@H]1COC[C@H](C)N1 F17621 [0,1,0,1,0,0|1,0,1]=4 146 B8R1.4 C[C@H]1C[C@@H](N)CCO1 D79497 [0,1,0,1,0,0|1,0,1]=4 147 B8R1.18 CC1=NC(C)C(C)S1 AT23987 [0,1,0,1,0,0|1,1,0]=4 148 B8R1.18 CN1C[C@@H](N)CC1=O AT19104 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.18 CN1C[C@@H](N)CC1=O AT19105 [0,1,0,1,0,0|2,0,0]=4 150 B8R1.18 CN1C[C@@H](N)CC1=O AT23597 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.18 CN1C[C@@H](N)CC1=O AT23598 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.18 CN1C[C@@H](O)CC1=O AT19112 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.18 CN1C[C@@H](O)CC1=O AT19115 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.18 CN1C[C@@H](O)CC1=O AT19117 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.18 CN1C[C@@H](S)CC1=O AT19213 [0,1,0,1,0,0|2,0,0]=4 156 B8R1.18 C[C@@H]1C[C@H](O)C(=O)N1 AT26252 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90246 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.18 N[C@H]1CC(=O)OC1=O AT25837 [0,1,0,1,0,0|1,0,1]=4 159 B8R1.20 CC1CC1CC(=O)O E72880 [0,1,0,1,0,0|2,0,0]=4 160 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94393 [0,1,0,1,0,0|2,0,0]=4 161 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94399 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.31 N[C@@H]1CO[C@@H]1C(=O)O 94401 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P12531 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O P14183 [0,1,0,1,0,0|2,0,0]=4 165 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P12530 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.31 N[C@H]1CC[C@H]1C(=O)O P14693 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94392 [0,1,0,1,0,0|2,0,0]=4 168 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94395 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.31 N[C@H]1CO[C@@H]1C(=O)O 94397 [0,1,0,1,0,0|2,0,0]=4 170 B8R1.31 O=C(O)C1CCC1O D74978 [0,1,0,1,0,0|2,0,0]=4 171 B8R1.34 O=C(O)CN1CCC1 D96863 [0,1,0,1,0,0|2,0,0]=4 172 B8R1.34 O=C(O)C[C@H]1CCN1 P19180 [0,1,0,1,0,0|2,0,0]=4 173 B8R1.40 COC(=O)C=C1CC1 AT21192 [0,1,0,1,0,0|1,0,1]=4 174 B8R1.40 NCC(=O)NC1CC1 D76973 [0,1,0,1,0,0|1,0,0]=3 175 B8R1.42 CC(=O)OC1(C)CC1 D96854 [0,1,0,1,0,0|0,0,0]=2 176 B8R1.42 CC1(CC(=O)O)CC1 D86405 [0,1,0,1,0,0|2,0,0]=4 177 B8R1.42 NC1(CC(=O)O)CC1 F30393 [0,1,0,1,0,0|2,0,0]=4 178 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12376 [0,1,0,1,0,0|2,0,0]=4 179 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT12377 [0,1,0,1,0,0|2,0,0]=4 180 B8R1.43 CC[C@H]1C[C@@H]1C(=O)O AT23983 [0,1,0,1,0,0|2,0,0]=4 181 B8R1.43 COC1CC1C(=O)O C77471 [0,1,0,1,0,0|2,0,0]=4 182 B8R1.43 NCC1CC1C(=O)O P17932 [0,1,0,1,0,0|2,0,0]=4 183 B8R1.43 NC[C@@H]1C[C@@H]1C(=O)O AT20753 [0,1,0,1,0,0|2,0,0]=4 184 B8R1.43 NC[C@H]1C[C@@H]1C(=O)O AT20752 [0,1,0,1,0,0|2,0,0]=4 185 B8R1.43 O=C(O)C1CC1CO D75978 [0,1,0,1,0,0|2,0,0]=4 186 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23907 [0,1,0,1,0,0|2,0,0]=4 187 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23914 [0,1,0,1,0,0|2,0,0]=4 188 B8R1.43 O=C(O)[C@H]1C[C@@H]1CF AT23915 [0,1,0,1,0,0|2,0,0]=4 189 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23906 [0,1,0,1,0,0|2,0,0]=4 190 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23912 [0,1,0,1,0,0|2,0,0]=4 191 B8R1.43 O=C(O)[C@H]1C[C@H]1CF AT23913 [0,1,0,1,0,0|2,0,0]=4 192 B8R1.51 CC1(C)CC(=O)NO1 D73554 [0,1,0,1,0,0|2,0,0]=4 193 B8R1.51 CC1(C)CSC(=O)N1 AT20223 [0,1,0,1,0,0|1,1,0]=4 194 B8R1.51 C[C@H]1CNS(=O)(=O)C1 AT12411 [0,1,0,1,0,0|2,0,0]=4 195 B8R1.51 O=C1CCC(F)(F)C1 C90742 [0,1,0,1,0,0|2,0,0]=4 196 B8R1.2 C#C[C@@H]1CCCCO1 AT10034 [0,1,0,1,0,0|1,0,1]=4 197 B8R1.2 C#C[C@@H]1CCCCO1 AT10035 [0,1,0,1,0,0|1,0,1]=4 198 B8R1.2 C#C[C@@H]1CCCCO1 AT10036 [0,1,0,1,0,0|1,0,1]=4 199 B8R1.3 C=C1CCC(O)CC1 AT15311 [0,1,0,1,0,0|2,0,0]=4 200 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AC8572 [0,1,0,1,0,0|1,0,1]=4 201 B8R1.3 O=C1CC[C@H](O)CO1 AT23772 [0,1,0,1,0,0|0,0,0]=2 202 B8R1.3 O=C1CC[C@H](O)CO1 AT23773 [0,1,0,1,0,0|0,0,0]=2 203 B8R1.5 N[C@H]1COCCC1=O E73090 [0,1,0,1,0,0|2,0,0]=4 204 B8R1.5 O=C1NCCC[C@@H]1O AT24626 [0,1,0,1,0,0|1,0,0]=3 205 B8R1.5 O=C1NCCC[C@@H]1O D77061 [0,1,0,1,0,0|1,0,0]=3 206 B8R1.5 O=C1NCCOC1=O P10038 [0,1,0,1,0,0|1,0,1]=4 207 B8R1.22 C[C@H]1COCCCN1 AT11439 [0,1,0,1,0,0|1,0,1]=4 208 B8R1.22 C[C@H]1COCCCN1 AT11440 [0,1,0,1,0,0|1,0,1]=4 209 B8R1.38 COC(=O)C1=CCC1 P16819 [0,1,0,1,0,0|1,0,1]=4 210 B8R1.50 C[C@@H]1CNC(=O)[C@H]1N AT23635 [0,1,0,1,0,0|1,0,0]=3 211 B8R1.50 N[C@@H]1C(=O)NC[C@@H]1O AT23609 [0,1,0,1,0,0|2,0,0]=4 212 B8R1.50 N[C@@H]1C(=O)NC[C@@H]1O AT26183 [0,1,0,1,0,0|2,0,0]=4 213 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O AT23610 [0,1,0,1,0,0|2,0,0]=4 214 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O AT26184 [0,1,0,1,0,0|2,0,0]=4 215 B8R1.50 O=C1OC[C@H](O)[C@@H]1Br AC9565 [0,1,0,1,0,0|1,0,0]=3 216 B8R1.6 CCOC1CC(=O)C1 D75215 [0,1,0,1,0,0|1,0,0]=3 217 B8R1.7 CC(=O)[C@@H]1CCCO1 74399 [0,1,0,1,0,0|0,0,0]=2 218 B8R1.7 C[C@H](N)[C@@H]1CCCO1 W15865 [0,1,0,1,0,0|1,0,1]=4 219 B8R1.7 C[C@H](O)[C@@H]1CCCO1 E72115 [0,1,0,1,0,0|0,0,2]=4 220 B8R1.35 O=C(O)COC1CC1 AT13750 [0,1,0,1,0,0|1,0,0]=3 221 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 37682 [0,1,0,1,0,0|2,0,0]=4 222 B8R1.23 NC(=O)N1CC(N)C1 AT23063 [0,1,0,1,0,0|2,0,0]=4 223 B8R1.23 NC(=O)N1CC(O)C1 AT23068 [0,1,0,1,0,0|2,0,0]=4 224 B8R1.23 NC(=O)[C@H]1C[C@@H](N)C1 W15876 [0,1,0,1,0,0|2,0,0]=4 225 B8R1.23 O=C1C[C@@H](C(=O)O)O1 P17181 [0,1,0,1,0,0|1,0,1]=4 226 B8R1.30 CC1CC1(C)C(=O)O W16204 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.54 O=C(O)[C@@H](O)C1CC1 AT24777 [0,1,0,1,0,0|2,0,0]=4 228 B8R1.54 O=C(O)[C@@H](O)C1CC1 E73379 [0,1,0,1,0,0|2,0,0]=4 229 B8R1.77 CC(=O)[C@H]1CC1(F)F AT23960 [0,1,0,1,0,0|2,0,0]=4 230 B8R2.18 O=C1CC2OC2C1 60055 [0,0,0,2,0,0|2,0,0]=4 231 B8R2.38 O=C1CC[C@@H]2C[C@H]12 E73217 [0,0,0,2,0,0|1,0,0]=3 232 B8R2.38 O=C1NCC2CC12 P20911 [0,0,0,2,0,0|1,0,0]=3 233 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11600 [0,0,0,2,0,0|1,0,0]=3 234 B8R2.38 O=C1OC[C@@H]2C[C@H]12 AT22533 [0,0,0,2,0,0|0,0,0]=2