0 B7R0.8 CC(C)(O)CCCO Z1255438724 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.8 CCCCC(C)(C)N Z4437707785 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.8 CCCCS(=O)(=O)N Z55264566 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.8 CCNCC(C)(C)O Z600453556 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.8 CNCCS(=O)(=O)C Z235580952 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.8 CNCCS(=O)(=O)N Z2312320082 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.8 CNCCS(=O)(=O)O Z3989262607 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.8 COCCS(=O)(=O)N Z425361010 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.8 CS(=O)(=O)CCCN Z752370998 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.8 CS(=O)(=O)CCCO Z1080376164 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.8 NCCCS(=O)(=O)N Z744592958 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.8 NCCCS(=O)(=O)O Z1203578094 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.8 NS(=O)(=O)CCCO Z1267897754 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.4 C#CCCC(=O)O Z295890062 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.4 C=CCCC(=O)O Z995028722 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.4 CC(O)CCCN Z1198178891 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.4 CCC#CC(=O)O Z1205493735 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.4 CCCCB(O)O Z1147227739 [1,0,0,0,0,0|1,0,0]=2 19 B6R0.4 CCCCC(=N)N Z1723418909 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.4 CCCCC(=O)N Z104476278 [1,0,0,0,0,0|2,0,0]=3 21 B6R0.4 CCCCC(=O)O Z104473312 [1,0,0,0,0,0|1,0,0]=2 22 B6R0.4 CCCCC(C)N Z3300506318 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.4 CCCNC(=O)C Z33030314 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.4 CCCOC(=O)N Z1198148877 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.4 CCNCC(=O)N Z1459435506 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.4 CCNCC(=O)O Z744593094 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.4 CCNCC(C)O Z138692768 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.4 CCOCC(=O)O Z104495232 [1,0,0,0,0,0|2,0,0]=3 29 B6R0.4 CNCCC(=O)C Z1536943318 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.4 CNCCC(C)O Z1203731868 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.4 COCCC(=O)C Z362119682 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.4 COCCC(=O)N Z394696458 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.4 COCCC(=O)O Z285184634 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.4 COCCC(C)O Z818738042 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.4 CSCCC(=O)O Z54719251 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.4 NC(=O)CCCO Z1203578394 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.4 NCCCC(=O)N Z398513418 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.4 NCCCC(=O)O Z104475620 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.4 NCCCS(=O)O Z1203579399 [1,0,0,0,0,0|2,0,0]=3 40 B6R0.4 O=C(O)CCCS Z147642510 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.5 CCCC(C)(C)O Z449374450 [1,0,0,0,0,0|3,0,0]=4 42 B6R0.5 N#CCP(=O)(O)O Z3025383580 [1,0,0,0,0,0|1,0,1]=3 43 B6R0.5 NCCS(=O)(=O)O Z248489432 [1,0,0,0,0,0|2,0,1]=4 44 B8R0.14 CCCC(C)S(=O)(=O)N Z954606570 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.21 CC(C)(O)CCCCO Z1725965028 [0,1,0,0,0,0|3,0,0]=4 46 B8R0.21 CCCCCS(=O)(=O)N Z734461490 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.21 CCCNCC(C)(C)O Z600453870 [0,1,0,0,0,0|3,0,0]=4 48 B8R0.21 CCNCCS(=O)(=O)C Z235582846 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.21 CCOCCS(=O)(=O)N Z425361008 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.21 CNCCCS(=O)(=O)C Z728931320 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.21 COCCCS(=O)(=O)N Z734461458 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.21 CS(=O)(=O)CCCCN Z2379802695 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.21 NCCCCS(=O)(=O)N Z2216303047 [0,1,0,0,0,0|2,0,1]=4 54 B8R0.21 NCCCCS(=O)(=O)O Z1262622810 [0,1,0,0,0,0|1,0,1]=3 55 B8R0.21 NCCCOP(=O)(O)O Z1198158583 [0,1,0,0,0,0|1,0,0]=2 56 B8R0.24 CCC(C)CC(C)(C)O Z1258798904 [0,1,0,0,0,0|3,0,0]=4 57 B8R0.24 CCC(C)CS(=O)(=O)N Z954606746 [0,1,0,0,0,0|2,0,1]=4 58 B8R0.24 CCC(N)CS(=O)(=O)C Z3015223301 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.24 O=C(CP(=O)(O)O)NO Z1999520090 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.24 O=S(=O)(O)CC(O)CO Z1896291473 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.25 CCCCC(C)(N)CO Z2379804923 [0,1,0,0,0,0|3,0,0]=4 62 B8R0.25 CCCCS(=O)(=O)NC Z55258068 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.29 CC(C)CCS(=O)(=O)N Z734461454 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.29 CC(N)CCS(=O)(=O)C Z992990700 [0,1,0,0,0,0|2,0,1]=4 65 B8R1.21 CC1CC1S(=O)(=O)N Z2418729163 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.21 CC1OC1P(=O)([O-])[O-] Z2210710388 [0,0,0,1,0,0|1,0,2]=4 67 B8R1.21 C[C@@H]1O[C@@H]1P(=O)([O-])[O-] Z1583387379 [0,0,0,1,0,0|1,0,2]=4 68 B8R1.55 NS(=O)(=O)C1CCC1 Z1255426083 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.56 NS(=O)(=O)CC1CC1 Z734461550 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.72 CC1(CCCCC1)O Z449370586 [0,0,0,1,0,0|3,0,0]=4 71 B8R1.72 N=S1(=O)CCCCC1 Z2941529962 [0,0,0,1,0,0|3,0,0]=4 72 B8R1.72 O=S1(=O)CCCCN1 Z1201622708 [0,0,0,1,0,0|2,0,1]=4 73 B5R0.1 CCCC(=O)N Z33546461 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.1 CCCC(=O)O Z104495380 [2,0,0,0,0,0|1,0,0]=3 75 B5R0.1 CNCC(=O)O Z104480276 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.1 COCC(=O)O Z104477404 [2,0,0,0,0,0|2,0,0]=4 77 B5R0.1 NCCC(=O)O Z57127544 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.1 O=C(O)CCCl Z203045320 [2,0,0,0,0,0|2,0,0]=4 79 B5R0.1 O=C(O)CCS Z104474322 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.2 CCCCC=O Z104472992 [2,0,0,0,0,0|1,0,0]=3 81 B5R0.2 CCCCCN Z104472246 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.2 CCNCCO Z1258992395 [2,0,0,0,0,0|2,0,0]=4 83 B5R0.2 CCOCCO Z104473122 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.2 CNCCCO Z104756980 [2,0,0,0,0,0|2,0,0]=4 85 B5R0.2 COCCCO Z431517702 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.2 CC(CN)CC(=O)O Z1436472873 [1,1,0,0,0,0|2,0,0]=4 87 B7R0.2 CCC(C)CC(=O)O Z352782882 [1,1,0,0,0,0|1,0,0]=3 88 B7R0.2 CCC(N)CC(=O)O Z1708090940 [1,1,0,0,0,0|1,0,0]=3 89 B7R0.2 CCN(C)CC(=O)O Z1459897022 [1,1,0,0,0,0|2,0,0]=4 90 B7R0.2 COC(C)CC(=O)O Z431536426 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.2 NCC(O)CC(=O)O Z1255390571 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [1,1,0,0,0,0|2,0,0]=4 94 B7R0.3 CCCCC(=O)CC Z406378226 [1,1,0,0,0,0|2,0,0]=4 95 B7R0.3 CCCCN(C)N=O Z1198149449 [1,1,0,0,0,0|1,1,0]=4 96 B7R0.3 CCNCC(=O)OC Z138464962 [1,1,0,0,0,0|2,0,0]=4 97 B7R0.3 CCOCC(O)CO Z1178483452 [1,1,0,0,0,0|2,0,0]=4 98 B7R0.3 CNCCC(=O)OC Z140562916 [1,1,0,0,0,0|2,0,0]=4 99 B7R0.3 NCCCC(=O)NO Z3488307998 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.4 C=CCCCC(=O)O Z1205493561 [1,1,0,0,0,0|1,0,1]=4 101 B7R0.4 CC#CCCC(=O)O Z1205493674 [1,1,0,0,0,0|1,0,1]=4 102 B7R0.4 CCC/C=C/C(=O)O Z104506794 [1,1,0,0,0,0|1,0,1]=4 103 B7R0.4 CCCCCC(=O)O Z104503532 [1,1,0,0,0,0|1,0,0]=3 104 B7R0.4 CCCCOC(=O)N Z104476286 [1,1,0,0,0,0|2,0,0]=4 105 B7R0.4 CCCNCC(=O)N Z2211231296 [1,1,0,0,0,0|2,0,0]=4 106 B7R0.4 CCCNCC(=O)O Z744582718 [1,1,0,0,0,0|1,0,0]=3 107 B7R0.4 CCCOCC(=O)O Z406677750 [1,1,0,0,0,0|1,0,0]=3 108 B7R0.4 CCCSCC(=O)C Z447929234 [1,1,0,0,0,0|2,0,0]=4 109 B7R0.4 CCCSCC(=O)O Z228425458 [1,1,0,0,0,0|1,0,0]=3 110 B7R0.4 CCNCCC(=O)N Z2681234913 [1,1,0,0,0,0|2,0,0]=4 111 B7R0.4 CCNCCC(=O)O Z1869802098 [1,1,0,0,0,0|1,0,0]=3 112 B7R0.4 CCOCCC(=O)O Z316258938 [1,1,0,0,0,0|1,0,0]=3 113 B7R0.4 CCSCCC(=O)O Z197206046 [1,1,0,0,0,0|1,0,0]=3 114 B7R0.4 CNCCCC(=O)O Z57043473 [1,1,0,0,0,0|1,0,0]=3 115 B7R0.4 COCCCC(=O)C Z406376722 [1,1,0,0,0,0|2,0,0]=4 116 B7R0.4 COCCCC(=O)O Z316258912 [1,1,0,0,0,0|1,0,0]=3 117 B7R0.4 COCCCC(C)O Z854048762 [1,1,0,0,0,0|2,0,0]=4 118 B7R0.4 CSCCCC(=O)O Z54602911 [1,1,0,0,0,0|1,0,0]=3 119 B7R0.4 N#CCCCC(=O)O Z1198152304 [1,1,0,0,0,0|1,0,1]=4 120 B7R0.4 NCCCCC(=O)N Z1639630947 [1,1,0,0,0,0|2,0,0]=4 121 B7R0.4 NCCCCC(=O)O Z271111992 [1,1,0,0,0,0|1,0,0]=3 122 B7R0.4 NCCNCC(=O)O Z2692249907 [1,1,0,0,0,0|2,0,0]=4 123 B7R0.4 NCCOCC(=O)O Z1650039500 [1,1,0,0,0,0|2,0,0]=4 124 B7R0.4 NCCSCC(=O)O Z1381287295 [1,1,0,0,0,0|2,0,0]=4 125 B7R0.4 O=C(O)CCCCBr Z104479696 [1,1,0,0,0,0|1,0,0]=3 126 B7R0.4 O=C(O)CCCCS Z808230828 [1,1,0,0,0,0|1,0,0]=3 127 B7R0.4 O=C(O)CNCCO Z425411352 [1,1,0,0,0,0|2,0,0]=4 128 B7R0.4 O=C([O-])CCCCO Z2335631573 [1,1,0,0,0,0|1,0,1]=4 129 B7R0.5 CC(CCN)C(=O)O Z2298167292 [1,1,0,0,0,0|2,0,0]=4 130 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,1,0,0,0,0|1,0,0]=3 131 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,1,0,0,0,0|1,0,0]=3 132 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,1,0,0,0,0|1,0,0]=3 133 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,1,0,0,0,0|1,0,0]=3 134 B7R0.5 CCNC(C)C(=O)O Z3181996310 [1,1,0,0,0,0|2,0,0]=4 135 B7R0.5 CCOC(C)C(=O)O Z316258934 [1,1,0,0,0,0|2,0,0]=4 136 B7R0.5 CNCC(C)C(=O)O Z1270387301 [1,1,0,0,0,0|2,0,0]=4 137 B7R0.5 COCC(C)C(=O)O Z431541094 [1,1,0,0,0,0|2,0,0]=4 138 B7R0.5 COCC(N)C(=O)O Z1613478163 [1,1,0,0,0,0|2,0,0]=4 139 B7R0.5 CSCC(C)C(=O)O Z732206684 [1,1,0,0,0,0|2,0,0]=4 140 B7R0.5 CSCC(N)C(=O)O Z317025996 [1,1,0,0,0,0|2,0,0]=4 141 B7R0.5 NC(CCF)C(=O)O Z2470036329 [1,1,0,0,0,0|2,0,0]=4 142 B7R0.5 NC(CCO)C(=O)O Z234896487 [1,1,0,0,0,0|2,0,0]=4 143 B7R0.5 NCCC(F)C(=O)O Z3235903750 [1,1,0,0,0,0|2,0,0]=4 144 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [1,1,0,0,0,0|2,0,0]=4 145 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [1,1,0,0,0,0|2,0,0]=4 146 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [1,1,0,0,0,0|2,0,0]=4 147 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [1,1,0,0,0,0|2,0,0]=4 148 B7R0.6 CC(=O)CCC(=O)O Z104477318 [1,1,0,0,0,0|1,0,1]=4 149 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,1,0,0,0,0|1,0,0]=3 150 B7R0.6 CC(C)NCC(=O)O Z359419672 [1,1,0,0,0,0|2,0,0]=4 151 B7R0.6 CC(C)OCC(=O)O Z316259244 [1,1,0,0,0,0|2,0,0]=4 152 B7R0.6 CC(C)SCC(=O)O Z214812600 [1,1,0,0,0,0|2,0,0]=4 153 B7R0.6 CC(N)CCC(=O)O Z1235963367 [1,1,0,0,0,0|1,0,0]=3 154 B7R0.6 CC(N)CCS(=O)C Z1269750451 [1,1,0,0,0,0|2,0,0]=4 155 B7R0.6 CC(O)CCC(=O)O Z838959470 [1,1,0,0,0,0|1,0,0]=3 156 B7R0.6 CN(C)CCC(=O)O Z168912830 [1,1,0,0,0,0|2,0,0]=4 157 B7R0.6 CS(=O)CCC(=O)O Z667974346 [1,1,0,0,0,0|2,0,0]=4 158 B7R0.9 O=C(O)CP(=O)(O)O Z277558864 [1,1,0,0,0,0|1,0,1]=4 159 B9R0.56 O=C(O)CCCP(=O)(O)O Z1255431129 [0,2,0,0,0,0|0,0,1]=3 160 B9R0.56 O=C(O)CNCP(=O)(O)O Z3225522739 [0,2,0,0,0,0|1,0,1]=4 161 B9R0.66 CCOP(=O)(O)CCCN Z1713622085 [0,2,0,0,0,0|1,0,0]=3 162 B7R1.2 CC1CCC(=O)N1 Z1250132456 [1,0,0,1,0,0|2,0,0]=4 163 B7R1.2 CC1CCC(=O)O1 Z963595138 [1,0,0,1,0,0|1,0,0]=3 164 B7R1.2 CC1CCC(C1)O Z1233224917 [1,0,0,1,0,0|2,0,0]=4 165 B7R1.2 CC1CNC(=O)O1 Z1198149952 [1,0,0,1,0,0|2,0,0]=4 166 B7R1.3 O=C1CCCCC1 Z104474256 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.3 O=C1CCCCN1 Z168817684 [1,0,0,1,0,0|2,0,0]=4 168 B7R1.3 O=C1CCCCO1 Z432085120 [1,0,0,1,0,0|1,0,0]=3 169 B7R1.3 O=C1CCCCS1 Z1726147018 [1,0,0,1,0,0|1,1,0]=4 170 B7R1.3 O=C1NCCCO1 Z1198312172 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.3 OC1CCCCC1 Z104473498 [1,0,0,1,0,0|2,0,0]=4 172 B7R1.3 OC1CNCCO1 Z1428160315 [1,0,0,1,0,0|2,0,0]=4 173 B7R1.7 CCCCC1CO1 Z1020679810 [1,0,0,1,0,0|2,0,0]=4 174 B7R1.12 CC(=O)C1CC1C Z1259336498 [1,0,0,1,0,0|2,0,0]=4 175 B7R1.12 CC1CC1C(=O)N Z33546780 [1,0,0,1,0,0|2,0,0]=4 176 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [1,0,0,1,0,0|1,0,0]=3 177 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [1,0,0,1,0,0|1,0,0]=3 178 B7R1.14 CC1(CCCC1)O Z449370856 [1,0,0,1,0,0|2,0,0]=4 179 B7R1.14 N=S1(=O)CCCC1 Z1862022759 [1,0,0,1,0,0|2,0,0]=4 180 B7R1.18 CC(O)C1CCC1 Z1198149695 [1,0,0,1,0,0|2,0,0]=4 181 B7R1.18 NC(=O)C1CCC1 Z33546656 [1,0,0,1,0,0|2,0,0]=4 182 B7R1.18 O=C(O)C1CCC1 Z104472264 [1,0,0,1,0,0|1,0,0]=3 183 B7R1.18 O=C(O)C1CCN1 Z168878270 [1,0,0,1,0,0|2,0,0]=4 184 B7R1.18 O=C(O)C1CNC1 Z1171217434 [1,0,0,1,0,0|2,0,0]=4 185 B7R1.18 O=C(O)C1CSC1 Z1205495555 [1,0,0,1,0,0|2,0,0]=4 186 B7R1.20 CC(=O)CC1CC1 Z1198160502 [1,0,0,1,0,0|2,0,0]=4 187 B7R1.20 NC(=O)CC1CC1 Z365255854 [1,0,0,1,0,0|2,0,0]=4 188 B7R1.20 O=C(O)CC1CC1 Z234893653 [1,0,0,1,0,0|1,0,0]=3 189 B9R1.118 CC1(CCCCO1)C=O Z2178581866 [0,1,0,1,0,0|2,0,0]=4