0 B7R0.5 C=C(C)C(=O)OCC Z852747724 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.5 CC(C)C(=O)CC#N Z319444036 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.5 CC(CCN)C(=O)O Z2298167292 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.5 CC(CCN)S(=O)C Z1431460424 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.5 CCCC(C)C(=O)O Z104477112 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.5 CCCC(C)C(C)N Z2737299926 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.5 CCCC(N)C(=O)O Z317024724 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.5 CCNC(=O)C(C)Cl Z147651950 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.5 CCNC(=O)C(C)N Z89265773 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.5 CCNC(C)C(=O)O Z3181996310 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.5 CCOC(=N)C(C)C Z1623864182 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.5 CCOC(=O)C(=O)C Z104472090 [0,0,0,0,0,0|1,0,0]=1 14 B7R0.5 CCOC(=O)C(=O)N Z104475764 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.5 CCOC(=O)C(F)F Z361436550 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.5 CCOC(C)C(=O)O Z316258934 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.5 CN(C)C(=O)CCN Z802671460 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.5 CN(C)C(=O)CCO Z635883438 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.5 CNCC(C)C(=O)O Z1270387301 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.5 COCC(=O)C(C)C Z825742022 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.5 COCC(C)C(=O)O Z431541094 [0,0,0,0,0,0|3,0,1]=4 22 B7R0.5 COCC(N)C(=O)O Z1613478163 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.5 CSCC(C)C(=O)O Z732206684 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.5 CSCC(N)C(=O)O Z317025996 [0,0,0,0,0,0|3,0,1]=4 25 B7R0.5 NC(CCF)C(=O)O Z2470036329 [0,0,0,0,0,0|3,0,1]=4 26 B7R0.5 NC(CCO)C(=O)O Z234896487 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.5 NCCC(F)C(=O)O Z3235903750 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [0,0,0,0,0,0|2,0,2]=4 30 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [0,0,0,0,0,0|3,0,1]=4 31 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [0,0,0,0,0,0|3,0,1]=4 32 B6R0.1 C#CC(=O)OCC Z104478880 [1,0,0,0,0,0|1,0,2]=4 33 B6R0.1 C#CCC(=O)OC Z1198160347 [1,0,0,0,0,0|1,0,2]=4 34 B6R0.1 CCC(=O)COC Z825742020 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.1 CCCC(=O)CN Z1203579017 [1,0,0,0,0,0|1,0,1]=3 36 B6R0.1 CCCC(=O)NO Z59181937 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.1 CCCC(C)NC Z394693580 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.1 CCCC(N)CC Z1642389626 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.1 CCCN(C)N=O Z1198147496 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.1 CCNC(=N)NC Z1357224692 [1,0,0,0,0,0|3,0,0]=4 41 B6R0.1 CCNC(=O)CN Z54747476 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.1 CCNC(=O)CO Z431952024 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.1 CCOC(=N)CC Z3033961910 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.1 CCOC(=O)CN Z594038186 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.1 CCOC(=O)CO Z385458066 [1,0,0,0,0,0|1,0,2]=4 46 B6R0.1 CCOC(=O)NN Z104478458 [1,0,0,0,0,0|3,0,0]=4 47 B6R0.1 CCS(=O)CCN Z1266854910 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.1 CNC(=O)CC#N Z56945997 [1,0,0,0,0,0|2,0,1]=4 49 B6R0.1 CNC(=O)CCCl Z239813512 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.1 CNC(=O)CCN Z425449754 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.1 CNC(=O)CCO Z975909370 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.1 CNCC(=O)NC Z57981096 [1,0,0,0,0,0|2,0,0]=3 53 B6R0.1 CNCC(=O)OC Z89264972 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.3 CC(=C(F)CN)C Z1203639272 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.3 CCC(C)C(=O)N Z270978420 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.3 CCC(C)C(=O)O Z237374874 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.3 CCC(N)C(=O)O Z104495144 [1,0,0,0,0,0|2,0,1]=4 58 B6R0.3 CCC(O)C(=O)N Z965049008 [1,0,0,0,0,0|1,0,2]=4 59 B6R0.3 CCC(O)C(=O)O Z246073650 [1,0,0,0,0,0|1,0,2]=4 60 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.3 CN(C)C(=O)CN Z54751082 [1,0,0,0,0,0|3,0,0]=4 64 B6R0.3 CN(C)C(=O)CO Z431952018 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.3 CNC(=O)C(C)Cl Z104346638 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.3 CNC(=O)C(C)N Z105197440 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.3 CNC(=O)C(C)O Z431951884 [1,0,0,0,0,0|1,0,2]=4 68 B6R0.3 CNC(=O)[C@@H](C)N Z1346385420 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.3 CNC(=O)[C@H](C)N Z1449756238 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.3 COC(=O)C(=N)N Z1198220825 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.3 COC(=O)C(C)N Z56968898 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.3 COC(C)C(=O)C Z447898138 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.3 NNC(=O)C(=O)O Z3068042919 [1,0,0,0,0,0|3,0,0]=4 74 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [1,0,0,0,0,0|2,0,0]=3 75 B6R0.4 C#CCNC(=O)C Z220957448 [1,0,0,0,0,0|1,0,2]=4 76 B6R0.4 C=CCCC(=O)C Z406376894 [1,0,0,0,0,0|0,0,3]=4 77 B6R0.4 C=CCNC(=O)C Z32064466 [1,0,0,0,0,0|1,0,2]=4 78 B6R0.4 CC(=O)CCC#N Z1251352415 [1,0,0,0,0,0|1,0,2]=4 79 B6R0.4 CC(=O)NCCCl Z57983106 [1,0,0,0,0,0|2,0,0]=3 80 B6R0.4 CC(=O)OCCN Z1973465551 [1,0,0,0,0,0|2,0,0]=3 81 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,0,0,0,0,0|1,0,1]=3 82 B6R0.4 CCC#CC(=O)O Z1205493735 [1,0,0,0,0,0|1,0,2]=4 83 B6R0.4 CCCCC(=N)N Z1723418909 [1,0,0,0,0,0|2,0,1]=4 84 B6R0.4 CCCCC(=O)N Z104476278 [1,0,0,0,0,0|1,0,1]=3 85 B6R0.4 CCCCC(=O)O Z104473312 [1,0,0,0,0,0|1,0,1]=3 86 B6R0.4 CCCCC(C)N Z3300506318 [1,0,0,0,0,0|1,0,2]=4 87 B6R0.4 CCCNC(=O)C Z33030314 [1,0,0,0,0,0|1,0,0]=2 88 B6R0.4 CCCNC(=S)N Z56930715 [1,0,0,0,0,0|2,1,0]=4 89 B6R0.4 CCCOC(=O)N Z1198148877 [1,0,0,0,0,0|2,0,0]=3 90 B6R0.4 CCNCC(=O)N Z1459435506 [1,0,0,0,0,0|2,0,1]=4 91 B6R0.4 CCNCC(=O)O Z744593094 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.4 CCOCC(=O)O Z104495232 [1,0,0,0,0,0|2,0,1]=4 93 B6R0.4 CNCCC(=O)C Z1536943318 [1,0,0,0,0,0|1,0,1]=3 94 B6R0.4 COCCC(=O)C Z362119682 [1,0,0,0,0,0|1,0,1]=3 95 B6R0.4 COCCC(=O)N Z394696458 [1,0,0,0,0,0|2,0,1]=4 96 B6R0.4 COCCC(=O)O Z285184634 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.4 CS/C=C/C(=O)O Z1868430572 [1,0,0,0,0,0|2,0,1]=4 98 B6R0.4 CSCCC(=O)O Z54719251 [1,0,0,0,0,0|2,0,1]=4 99 B6R0.4 NC(=O)CCCO Z1203578394 [1,0,0,0,0,0|2,0,1]=4 100 B6R0.4 NC(=O)NCCF Z1203582184 [1,0,0,0,0,0|3,0,0]=4 101 B6R0.4 NC(=O)OCCO Z1198158440 [1,0,0,0,0,0|3,0,0]=4 102 B6R0.4 NCCCC(=O)N Z398513418 [1,0,0,0,0,0|2,0,1]=4 103 B6R0.4 NCCCC(=O)O Z104475620 [1,0,0,0,0,0|2,0,1]=4 104 B6R0.4 NCCNC(=O)N Z1268152381 [1,0,0,0,0,0|3,0,0]=4 105 B6R0.4 NCCOC(=O)N Z1587257433 [1,0,0,0,0,0|3,0,0]=4 106 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,0,0,0,0,0|2,0,1]=4 107 B6R0.4 O=C(O)CCCS Z147642510 [1,0,0,0,0,0|2,0,1]=4 108 B8R0.2 CC/C(=C(\C)/C(=O)O)/C Z1642058353 [0,1,0,0,0,0|2,0,1]=4 109 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [0,1,0,0,0,0|1,0,0]=2 110 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,1,0,0,0,0|2,0,1]=4 111 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.2 CCN(C)C(=O)C(C)N Z1450265575 [0,1,0,0,0,0|2,0,1]=4 114 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,1,0,0,0,0|2,0,1]=4 115 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,1,0,0,0,0|2,0,1]=4 116 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,1,0,0,0,0|2,0,1]=4 118 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,1,0,0,0,0|2,0,1]=4 119 B8R0.3 CCCC(C)C(=O)CC Z1138187109 [0,1,0,0,0,0|1,0,1]=3 120 B8R0.3 CCCC(N)C(=O)NC Z1449756374 [0,1,0,0,0,0|1,0,1]=3 121 B8R0.3 CCCC(N)C(=O)NO Z1184862965 [0,1,0,0,0,0|2,0,1]=4 122 B8R0.3 CCCC(N)C(=O)OC Z1592042299 [0,1,0,0,0,0|1,0,1]=3 123 B8R0.3 CCNC(C)C(=O)NC Z2753753273 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.3 CCOC(=O)C(C)C#N Z878438822 [0,1,0,0,0,0|2,0,1]=4 125 B8R0.3 CCOC(=O)C(C)CN Z1350606453 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.3 CCOC(=O)C(C)CO Z852748566 [0,1,0,0,0,0|1,0,2]=4 127 B8R0.3 CCOC(=O)C(C)NC Z2255112515 [0,1,0,0,0,0|2,0,1]=4 128 B8R0.3 CNCC(C)C(=O)NC Z1313717081 [0,1,0,0,0,0|2,0,1]=4 129 B8R0.3 COC(=O)C(C)CCN Z3025061158 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.3 COC(=O)N(C)CCO Z371625398 [0,1,0,0,0,0|3,0,0]=4 131 B8R0.8 CC(=O)N(C)CCCN Z319974634 [0,1,0,0,0,0|2,0,0]=3 132 B8R0.8 CC(N)C(=O)NCCF Z1992147476 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.8 CC(N)C(=O)NCCN Z1080379186 [0,1,0,0,0,0|2,0,1]=4 134 B8R0.8 CCCCC(C)C(=O)C Z727719632 [0,1,0,0,0,0|1,0,1]=3 135 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,1,0,0,0,0|2,0,1]=4 136 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,1,0,0,0,0|2,0,1]=4 137 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,1,0,0,0,0|1,0,2]=4 138 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,1,0,0,0,0|2,0,1]=4 139 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,1,0,0,0,0|2,0,1]=4 140 B8R0.8 CCCNC(=O)C(C)Cl Z147652134 [0,1,0,0,0,0|1,0,1]=3 141 B8R0.8 CCCNC(=O)C(C)N Z89265000 [0,1,0,0,0,0|1,0,1]=3 142 B8R0.8 CCNCC(=O)N(C)C Z104765936 [0,1,0,0,0,0|2,0,0]=3 143 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,1,0,0,0,0|2,0,1]=4 144 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,1,0,0,0,0|2,0,1]=4 145 B8R0.8 CN(C)C(=O)CCCN Z815264106 [0,1,0,0,0,0|2,0,0]=3 146 B8R0.8 CN(C)C(=O)CCCO Z839108358 [0,1,0,0,0,0|2,0,0]=3 147 B8R0.8 CN(C)C(=O)NCCO Z208334210 [0,1,0,0,0,0|3,0,0]=4 148 B8R0.8 CN(C)C(=O)OCCN Z2517220618 [0,1,0,0,0,0|3,0,0]=4 149 B8R0.8 CNCCN(C)C(=O)C Z1190219530 [0,1,0,0,0,0|2,0,0]=3 150 B8R0.8 COCCC(=O)C(C)C Z818737942 [0,1,0,0,0,0|1,0,1]=3 151 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.8 COCCC(N)C(=O)O Z317025018 [0,1,0,0,0,0|2,0,1]=4 153 B8R0.8 CSCCC(=O)N(C)C Z32013664 [0,1,0,0,0,0|2,0,0]=3 154 B8R0.8 CSCCC(N)C(=O)O Z57127440 [0,1,0,0,0,0|2,0,1]=4 155 B8R0.8 CSCCC(O)C(=O)O Z788000926 [0,1,0,0,0,0|1,0,2]=4 156 B8R0.8 CSCC[C@@H](N)C(=O)O Z1147215595 [0,1,0,0,0,0|2,0,1]=4 157 B8R0.8 CSCC[C@H](N)C(=O)O Z756440050 [0,1,0,0,0,0|2,0,1]=4 158 B8R0.8 C[C@H](N)C(=O)NCCO Z1398462031 [0,1,0,0,0,0|2,0,1]=4 159 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,1,0,0,0,0|2,0,1]=4 160 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,1,0,0,0,0|2,0,1]=4 161 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,1,0,0,0,0|2,0,1]=4 162 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [0,1,0,0,0,0|1,0,2]=4 163 B8R0.12 CCCC(C)(C)C(=O)N Z1198157529 [0,1,0,0,0,0|2,0,1]=4 164 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,1,0,0,0,0|2,0,1]=4 165 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [0,1,0,0,0,0|1,0,2]=4 166 B8R0.12 CCOP(=O)([O-])C(=O)[O-] Z1726084881 [0,1,0,0,0,0|3,0,0]=4 167 B8R0.14 CCCC(=O)C(C)(C)C Z406377804 [0,1,0,0,0,0|1,0,1]=3 168 B8R0.14 CCNC(=O)C(C)(C)C Z54718267 [0,1,0,0,0,0|2,0,1]=4 169 B8R0.14 CCNC(=O)C(C)(C)N Z1449756823 [0,1,0,0,0,0|2,0,1]=4 170 B8R0.14 CCOC(=O)C(C)(C)N Z1263529587 [0,1,0,0,0,0|2,0,1]=4 171 B8R0.14 CCOC(=O)C(C)(F)F Z1201623583 [0,1,0,0,0,0|2,0,1]=4 172 B8R0.14 CNCC(=O)C(C)(C)C Z2106607890 [0,1,0,0,0,0|2,0,1]=4 173 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,1,0,0,0,0|2,0,1]=4 174 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,1,0,0,0,0|2,0,1]=4 175 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,1,0,0,0,0|1,0,2]=4 176 B8R0.23 CC(=O)CC(=O)C(C)C Z1021460926 [0,1,0,0,0,0|1,0,2]=4 177 B8R0.23 CC(=O)CC(=O)N(C)C Z56948269 [0,1,0,0,0,0|2,0,1]=4 178 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [0,1,0,0,0,0|1,0,0]=2 179 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,1,0,0,0,0|2,0,1]=4 180 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,1,0,0,0,0|2,0,1]=4 181 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,1,0,0,0,0|2,0,1]=4 182 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,1,0,0,0,0|2,0,1]=4 183 B8R0.23 CC(C)NC(=O)C(C)Cl Z85917590 [0,1,0,0,0,0|2,0,1]=4 184 B8R0.23 CC(C)NC(=O)C(C)N Z1449741458 [0,1,0,0,0,0|2,0,1]=4 185 B8R0.23 CC(C)NC(=O)C(C)O Z431951892 [0,1,0,0,0,0|1,0,2]=4 186 B8R0.23 CC(C)OC(=O)[C@@H](C)N Z1431904013 [0,1,0,0,0,0|2,0,1]=4 187 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,1,0,0,0,0|2,0,1]=4 188 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,1,0,0,0,0|2,0,1]=4 189 B8R1.5 CC1=C(CCNC1)Br Z4428787505 [0,0,0,1,0,0|3,0,0]=4 190 B8R1.5 CC1=C(CNCC1)C Z1966489842 [0,0,0,1,0,0|3,0,0]=4 191 B8R1.5 CC1CCCCC1=O Z104477192 [0,0,0,1,0,0|1,0,1]=3 192 B8R1.5 CC1CCCNC1=O Z1013766916 [0,0,0,1,0,0|2,0,1]=4 193 B8R1.5 CC1CNCCC1=O Z1741969235 [0,0,0,1,0,0|2,0,1]=4 194 B8R1.5 CC1COCCC1=O Z1192338803 [0,0,0,1,0,0|2,0,1]=4 195 B8R1.5 CC1NCCNC1=O Z336079670 [0,0,0,1,0,0|2,0,1]=4 196 B8R1.5 CC1SCCCC1=O Z1359849054 [0,0,0,1,0,0|0,1,1]=3 197 B8R1.5 CC1SCCNC1=O Z1098219156 [0,0,0,1,0,0|1,1,1]=4 198 B8R1.5 CN1CCNCC1=O Z1250100764 [0,0,0,1,0,0|3,0,0]=4 199 B8R1.5 ClC1=C(CNCC1)Cl Z1572021773 [0,0,0,1,0,0|3,0,0]=4 200 B8R1.5 NC1CCCCC1=O Z2186882796 [0,0,0,1,0,0|1,0,1]=3 201 B8R1.5 NC1CCCNC1=O Z993991168 [0,0,0,1,0,0|2,0,1]=4 202 B8R1.5 NN1CCCCC1=O Z976663668 [0,0,0,1,0,0|2,0,0]=3 203 B8R1.5 O=C1CCCCC1=O Z90122041 [0,0,0,1,0,0|0,0,0]=1 204 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,0,0,1,0,0|1,0,1]=3 205 B8R1.5 O=C1NCCCC1F Z1203749514 [0,0,0,1,0,0|2,0,1]=4 206 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,0,0,1,0,0|1,0,1]=3 207 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [0,0,0,1,0,0|2,0,1]=4 208 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [0,0,0,1,0,0|2,0,1]=4 209 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,0,0,1,0,0|2,0,1]=4 210 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,0,0,1,0,0|2,0,1]=4 211 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,0,0,1,0,0|1,0,2]=4 212 B8R1.7 NC(=O)N1CCCC1 Z56907605 [0,0,0,1,0,0|3,0,0]=4 213 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,0,0,1,0,0|2,0,0]=3 214 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [0,0,0,1,0,0|1,1,1]=4 215 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,0,0,1,0,0|3,0,0]=4 216 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [0,0,0,1,0,0|3,0,0]=4 217 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,0,0,1,0,0|2,0,1]=4 218 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,0,0,1,0,0|2,0,1]=4 219 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,0,0,1,0,0|1,0,2]=4 220 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,0,0,1,0,0|1,1,1]=4 221 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,0,0,1,0,0|2,0,1]=4 222 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,0,0,1,0,0|2,0,1]=4 223 B8R1.13 O=C1CCN1CCO Z1897885187 [0,0,0,1,0,0|3,0,0]=4 224 B8R1.18 CC1=NN(C(=O)C1)C Z50146885 [0,0,0,1,0,0|2,0,1]=4 225 B8R1.18 CC1CC(C(=O)N1)C Z1203733105 [0,0,0,1,0,0|2,0,1]=4 226 B8R1.18 CC1CC(C(=O)O1)N Z118507726 [0,0,0,1,0,0|2,0,1]=4 227 B8R1.18 CN1CC(CC1=O)O Z1201051099 [0,0,0,1,0,0|3,0,0]=4 228 B8R1.18 NC1CC(=O)N(C1)O Z3806274909 [0,0,0,1,0,0|2,0,1]=4 229 B8R1.19 CC1(CCCC1=O)C Z1238544226 [0,0,0,1,0,0|1,0,1]=3 230 B8R1.19 CC1(CCNC1=O)C Z1201628732 [0,0,0,1,0,0|2,0,1]=4 231 B8R1.19 CC1(CCNC1=O)N Z2718904456 [0,0,0,1,0,0|2,0,1]=4 232 B8R1.19 CC1(CCOC1=O)C Z1255431712 [0,0,0,1,0,0|2,0,1]=4 233 B8R1.19 CC1(CCOC1=O)N Z1509069031 [0,0,0,1,0,0|2,0,1]=4 234 B8R1.19 CC1(COCC1=O)C Z1513611826 [0,0,0,1,0,0|2,0,1]=4 235 B8R1.19 CC1(NCCC1=O)C Z3235143689 [0,0,0,1,0,0|2,0,1]=4 236 B8R1.23 CC(=O)N1CC(C1)N Z1154674340 [0,0,0,1,0,0|3,0,0]=4 237 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,0,0,1,0,0|2,0,1]=4 238 B8R1.30 C[C@@H]1C[C@]1(N)C(=O)O Z4134701167 [0,0,0,1,0,0|2,0,1]=4 239 B8R1.37 CCOC(=O)[C@@H]1CO1 Z1255450225 [0,0,0,1,0,0|1,0,2]=4 240 B8R1.37 CCOC(=O)[C@H]1CO1 Z1255372614 [0,0,0,1,0,0|1,0,2]=4 241 B8R1.37 COCC(=O)C1CC1 Z1172086177 [0,0,0,1,0,0|2,0,1]=4 242 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,0,0,1,0,0|2,0,1]=4 243 B8R1.46 CCN1CC(C1=O)N Z1633398454 [0,0,0,1,0,0|2,0,1]=4 244 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [0,0,0,1,0,0|2,0,1]=4 245 B8R1.54 NC(=O)C(N)C1CC1 Z3183923231 [0,0,0,1,0,0|2,0,1]=4 246 B8R1.54 NC(=O)C(O)C1CC1 Z965049350 [0,0,0,1,0,0|1,0,2]=4 247 B8R1.54 NC(C(=O)O)C1CC1 Z1273089257 [0,0,0,1,0,0|2,0,1]=4 248 B8R1.54 O=C(O)C(O)C1CC1 Z802856440 [0,0,0,1,0,0|1,0,2]=4 249 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [0,0,0,1,0,0|2,0,1]=4 250 B8R1.78 NC(=O)C1(CCC1)N Z1483991927 [0,0,0,1,0,0|2,0,1]=4 251 B8R1.78 NC1(CCC1)C(=O)O Z1431905448 [0,0,0,1,0,0|2,0,1]=4 252 B8R1.78 O=C(O)C1(CCC1)Br Z220564362 [0,0,0,1,0,0|2,0,1]=4 253 B8R1.78 O=C(O)C1(CCC1)O Z220564366 [0,0,0,1,0,0|1,0,2]=4 254 B8R0.5 CC(C)NC(=O)CCCl Z239813378 [0,0,0,0,0,1|2,0,1]=4 255 B8R0.5 CC(C)NC(=O)CCN Z426041532 [0,0,0,0,0,1|2,0,1]=4 256 B8R0.5 CC(C)OC(=O)CCN Z147652234 [0,0,0,0,0,1|2,0,1]=4 257 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [0,0,0,0,0,1|2,0,0]=3 258 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,0,0,0,0,1|2,0,1]=4 259 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,0,0,0,0,1|1,0,2]=4 260 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [0,0,0,0,0,1|3,0,0]=4 261 B8R0.5 CCNC(=O)CC(C)O Z1203750199 [0,0,0,0,0,1|1,0,2]=4 262 B8R0.5 CCOC(=O)CC(=O)C Z104473158 [0,0,0,0,0,1|1,0,0]=2 263 B8R0.5 CCOC(=O)CC(=S)N Z94602417 [0,0,0,0,0,1|2,1,0]=4 264 B8R0.5 CCOC(=O)C[N+](=O)[O-] Z431554230 [0,0,0,0,0,1|3,0,0]=4 265 B8R0.5 CNCC(=O)NC(C)C Z46191420 [0,0,0,0,0,1|2,0,1]=4 266 B8R0.5 COC/C(=C/C(=O)O)/C Z992443856 [0,0,0,0,0,1|3,0,0]=4 267 B8R0.5 COCC(=O)OC(C)C Z53836826 [0,0,0,0,0,1|2,0,1]=4 268 B8R0.5 NC(=O)NC(=O)CCCl Z196931012 [0,0,0,0,0,1|2,0,0]=3 269 B5R0.1 C/C=C/C(=O)O Z104476026 [2,0,0,0,0,0|1,0,1]=4 270 B5R0.1 C=C(C)CCN Z1203582475 [2,0,0,0,0,0|2,0,0]=4 271 B5R0.1 CC(=CCN)C Z1827897919 [2,0,0,0,0,0|2,0,0]=4 272 B5R0.1 CC(=O)CCO Z906206900 [2,0,0,0,0,0|1,0,0]=3 273 B5R0.1 CCCC(=N)N Z1198394172 [2,0,0,0,0,0|2,0,0]=4 274 B5R0.1 CCCC(=O)N Z33546461 [2,0,0,0,0,0|1,0,0]=3 275 B5R0.1 CCCC(=O)O Z104495380 [2,0,0,0,0,0|0,0,1]=3 276 B5R0.1 CCCC(C)N Z2417819590 [2,0,0,0,0,0|1,0,1]=4 277 B5R0.1 CCOC(=O)N Z33546369 [2,0,0,0,0,0|2,0,0]=4 278 B5R0.1 CNCC(=O)N Z415678308 [2,0,0,0,0,0|2,0,0]=4 279 B5R0.1 CNCC(=O)O Z104480276 [2,0,0,0,0,0|1,0,1]=4 280 B5R0.1 COCC(=O)N Z33546778 [2,0,0,0,0,0|2,0,0]=4 281 B5R0.1 COCC(=O)O Z104477404 [2,0,0,0,0,0|1,0,1]=4 282 B5R0.1 CS(=O)CCN Z802568576 [2,0,0,0,0,0|2,0,0]=4 283 B5R0.1 CSCC(=O)N Z33545668 [2,0,0,0,0,0|2,0,0]=4 284 B5R0.1 CSCS(=O)C Z1255438413 [2,0,0,0,0,0|2,0,0]=4 285 B5R0.1 NC(=O)CCO Z431951940 [2,0,0,0,0,0|2,0,0]=4 286 B5R0.1 NCCC(=O)N Z415728050 [2,0,0,0,0,0|2,0,0]=4 287 B5R0.1 NCCC(=O)O Z57127544 [2,0,0,0,0,0|1,0,1]=4 288 B5R0.1 O=C(O)CCCl Z203045320 [2,0,0,0,0,0|1,0,1]=4 289 B5R0.1 O=C(O)CCS Z104474322 [2,0,0,0,0,0|1,0,1]=4 290 B5R0.2 C/C=C/CCN Z1268152372 [2,0,0,0,0,0|1,0,0]=3 291 B5R0.2 C/C=C/OCC Z281777810 [2,0,0,0,0,0|1,0,0]=3 292 B5R0.2 CCCCC=O Z104472992 [2,0,0,0,0,0|0,0,1]=3 293 B5R0.2 CCCNCC Z138446288 [2,0,0,0,0,0|1,0,1]=4 294 B5R0.3 CCC(=O)CC Z104476878 [2,0,0,0,0,0|0,0,1]=3 295 B5R0.3 CCC(=O)CN Z1203579016 [2,0,0,0,0,0|1,0,1]=4 296 B5R0.3 CCC(=O)NN Z56886418 [2,0,0,0,0,0|2,0,0]=4 297 B5R0.3 CCN(C)C=O Z1258520870 [2,0,0,0,0,0|2,0,0]=4 298 B5R0.3 CNC(=O)CCl Z56891219 [2,0,0,0,0,0|2,0,0]=4 299 B5R0.3 CNC(=O)CN Z57981102 [2,0,0,0,0,0|2,0,0]=4 300 B5R0.3 CNC(=O)CO Z431952700 [2,0,0,0,0,0|2,0,0]=4 301 B5R0.3 CNC(=O)CS Z1203730878 [2,0,0,0,0,0|2,0,0]=4 302 B5R0.3 COC(=O)CN Z57042020 [2,0,0,0,0,0|2,0,0]=4 303 B5R0.5 CC(=O)C(=O)O Z104495240 [2,0,0,0,0,0|1,0,0]=3 304 B5R0.5 CC(=O)C(C)N Z1263529525 [2,0,0,0,0,0|1,0,1]=4 305 B5R0.5 O=C(O)C(=O)O Z1741978903 [2,0,0,0,0,0|2,0,0]=4 306 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [1,1,0,0,0,0|0,0,2]=4 307 B7R0.2 CNC(=N)CC(C)C Z4121959005 [1,1,0,0,0,0|2,0,0]=4 308 B7R0.2 CNC(=O)CC(C)N Z1457935170 [1,1,0,0,0,0|1,0,0]=3 309 B7R0.2 COC(=O)CC(C)N Z169856728 [1,1,0,0,0,0|1,0,0]=3 310 B7R0.3 C=CC(=O)NOCC Z1251326848 [1,1,0,0,0,0|1,0,1]=4 311 B7R0.3 CC/C=C/C(=O)NC Z404206580 [1,1,0,0,0,0|1,0,1]=4 312 B7R0.3 CCC(=O)NCCN Z1455674775 [1,1,0,0,0,0|1,0,1]=4 313 B7R0.3 CCCCC(=O)CC Z406378226 [1,1,0,0,0,0|0,0,1]=3 314 B7R0.3 CCCNC(=O)CC Z33030426 [1,1,0,0,0,0|0,0,1]=3 315 B7R0.3 CCNCC(=O)NC Z55849445 [1,1,0,0,0,0|1,0,0]=3 316 B7R0.3 CCNCC(=O)OC Z138464962 [1,1,0,0,0,0|1,0,0]=3 317 B7R0.3 CNC(=N)CCOC Z2739543518 [1,1,0,0,0,0|2,0,0]=4 318 B7R0.3 CNC(=O)CCCN Z451350656 [1,1,0,0,0,0|1,0,0]=3 319 B7R0.3 CNC(=O)NCCO Z177090556 [1,1,0,0,0,0|2,0,0]=4 320 B7R0.3 CNC(=O)OCCO Z1198150357 [1,1,0,0,0,0|2,0,0]=4 321 B7R0.3 CNCCC(=O)NC Z852427258 [1,1,0,0,0,0|1,0,0]=3 322 B7R0.3 CNCCC(=O)OC Z140562916 [1,1,0,0,0,0|1,0,0]=3 323 B7R0.3 COC(=O)CCC#N Z1179894109 [1,1,0,0,0,0|1,0,1]=4 324 B7R0.3 COC(=O)NCCN Z2237317343 [1,1,0,0,0,0|2,0,0]=4 325 B7R0.3 NCCCC(=O)NO Z3488307998 [1,1,0,0,0,0|1,0,1]=4 326 B7R0.7 C/C=C/C(=O)OCC Z2327209524 [1,1,0,0,0,0|1,0,0]=3 327 B7R0.7 C=C=CC(=O)OCC Z1255488905 [1,1,0,0,0,0|1,0,1]=4 328 B7R0.7 CCNC(=O)CCCl Z239813542 [1,1,0,0,0,0|1,0,1]=4 329 B7R0.7 CCNC(=O)CCN Z1449756826 [1,1,0,0,0,0|1,0,1]=4 330 B7R0.7 CCNC(=O)CCO Z975909368 [1,1,0,0,0,0|1,0,1]=4 331 B7R0.7 CCNC(=O)CNC Z594038090 [1,1,0,0,0,0|1,0,1]=4 332 B7R0.7 CCOC(=O)CNC Z1262237263 [1,1,0,0,0,0|1,0,1]=4 333 B7R0.7 CCOC(=O)OCC Z104482516 [1,1,0,0,0,0|1,0,1]=4 334 B7R0.10 CCC(=O)C(=O)CC Z104472286 [1,1,0,0,0,0|0,0,2]=4 335 B7R0.10 CCC(C)C(=N)OC Z975823972 [1,1,0,0,0,0|2,0,0]=4 336 B7R0.10 CCC(C)C(=O)CN Z4526173679 [1,1,0,0,0,0|1,0,1]=4 337 B7R0.10 CCC(N)C(=O)NC Z1449756338 [1,1,0,0,0,0|1,0,0]=3 338 B7R0.10 CCN(C)C(=O)NC Z1042069854 [1,1,0,0,0,0|2,0,0]=4 339 B7R0.10 CNC(=O)C(C)CN Z2079695013 [1,1,0,0,0,0|2,0,0]=4 340 B7R0.10 CNC(=O)C(N)CO Z1203584884 [1,1,0,0,0,0|2,0,0]=4 341 B7R0.10 CNC(=O)C(O)CN Z2418537068 [1,1,0,0,0,0|2,0,0]=4 342 B7R0.10 COC(=O)C(C)CN Z1357902409 [1,1,0,0,0,0|2,0,0]=4 343 B7R0.10 COC(=O)C(C)SC Z821313006 [1,1,0,0,0,0|2,0,0]=4 344 B7R0.10 COC(=O)C(N)CF Z1255489945 [1,1,0,0,0,0|2,0,0]=4 345 B7R0.10 COC(=O)C(N)CO Z104479480 [1,1,0,0,0,0|2,0,0]=4 346 B7R0.10 COC(=O)C(N)CS Z56917374 [1,1,0,0,0,0|2,0,0]=4 347 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [1,1,0,0,0,0|2,0,0]=4 348 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [1,1,0,0,0,0|2,0,0]=4 349 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [1,1,0,0,0,0|2,0,0]=4 350 B7R0.11 CCCS(=O)(=O)NC Z55026691 [1,1,0,0,0,0|2,0,0]=4 351 B7R0.15 CCN(N=O)C(=O)N Z1198149309 [1,1,0,0,0,0|2,0,0]=4 352 B7R0.15 CCN(OC)C(=O)C Z1689168852 [1,1,0,0,0,0|1,0,1]=4 353 B7R0.16 C=C(C)C(=O)C(C)C Z1313486232 [1,1,0,0,0,0|1,0,0]=3 354 B7R0.16 CC(Cl)C(=O)N(C)C Z104378282 [1,1,0,0,0,0|2,0,0]=4 355 B7R0.16 CC(O)C(=O)N(C)C Z431951926 [1,1,0,0,0,0|2,0,0]=4 356 B7R0.16 C[C@@H](N)C(=O)N(C)C Z1357774240 [1,1,0,0,0,0|2,0,0]=4 357 B7R0.16 C[C@H](N)C(=O)N(C)C Z1562155926 [1,1,0,0,0,0|2,0,0]=4 358 B7R0.4 C#CCCNC(=O)C Z1188389866 [1,1,0,0,0,0|1,0,1]=4 359 B7R0.4 CC(=O)NCCCN Z295405102 [1,1,0,0,0,0|1,0,0]=3 360 B7R0.4 CC(=O)NCCCO Z353570744 [1,1,0,0,0,0|1,0,0]=3 361 B7R0.4 CCC/C=C/C(=O)O Z104506794 [1,1,0,0,0,0|1,0,0]=3 362 B7R0.4 CCCCCC(=O)O Z104503532 [1,1,0,0,0,0|1,0,1]=4 363 B7R0.4 CCCCOC(=O)N Z104476286 [1,1,0,0,0,0|1,0,1]=4 364 B7R0.4 CCCNCC(=O)N Z2211231296 [1,1,0,0,0,0|1,0,1]=4 365 B7R0.4 CCCNCC(=O)O Z744582718 [1,1,0,0,0,0|1,0,1]=4 366 B7R0.4 CCCOCC(=O)O Z406677750 [1,1,0,0,0,0|1,0,1]=4 367 B7R0.4 CCCSCC(=O)C Z447929234 [1,1,0,0,0,0|0,0,1]=3 368 B7R0.4 CCCSCC(=O)O Z228425458 [1,1,0,0,0,0|1,0,1]=4 369 B7R0.4 CCNCCC(=O)N Z2681234913 [1,1,0,0,0,0|1,0,1]=4 370 B7R0.4 CCNCCC(=O)O Z1869802098 [1,1,0,0,0,0|1,0,1]=4 371 B7R0.4 CCOCCC(=O)O Z316258938 [1,1,0,0,0,0|1,0,1]=4 372 B7R0.4 CCSCCC(=O)O Z197206046 [1,1,0,0,0,0|1,0,1]=4 373 B7R0.4 CNCCCC(=O)O Z57043473 [1,1,0,0,0,0|1,0,1]=4 374 B7R0.4 CNCCNC(=O)C Z1456777974 [1,1,0,0,0,0|1,0,0]=3 375 B7R0.4 COCCCC(=O)C Z406376722 [1,1,0,0,0,0|0,0,1]=3 376 B7R0.4 COCCCC(=O)O Z316258912 [1,1,0,0,0,0|1,0,1]=4 377 B7R0.4 COCCNC(=O)N Z56904572 [1,1,0,0,0,0|2,0,0]=4 378 B7R0.4 CSCCCC(=O)O Z54602911 [1,1,0,0,0,0|1,0,1]=4 379 B7R0.4 NC(=O)NCCCO Z198194722 [1,1,0,0,0,0|2,0,0]=4 380 B7R0.4 NCCCCC(=O)N Z1639630947 [1,1,0,0,0,0|1,0,1]=4 381 B7R0.4 NCCCCC(=O)O Z271111992 [1,1,0,0,0,0|1,0,1]=4 382 B7R0.4 NCCCOC(=O)N Z3337481796 [1,1,0,0,0,0|2,0,0]=4 383 B7R0.4 O=C(O)CCCCBr Z104479696 [1,1,0,0,0,0|1,0,1]=4 384 B7R0.4 O=C(O)CCCCS Z808230828 [1,1,0,0,0,0|1,0,1]=4 385 B7R0.4 O=C([O-])CCCCO Z2335631573 [1,1,0,0,0,0|1,0,1]=4 386 B7R0.6 CC(=O)NCC(C)O Z353603952 [1,1,0,0,0,0|1,0,0]=3 387 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,1,0,0,0,0|1,0,1]=4 388 B7R0.6 CC(C)CNC(=O)N Z56895708 [1,1,0,0,0,0|2,0,0]=4 389 B7R0.6 CC(N)CCC(=O)O Z1235963367 [1,1,0,0,0,0|1,0,1]=4 390 B7R0.6 CC(N)CCS(=O)C Z1269750451 [1,1,0,0,0,0|1,0,1]=4 391 B7R0.6 CC(O)CCC(=O)O Z838959470 [1,1,0,0,0,0|1,0,1]=4 392 B9R0.4 CC(=O)CC(=O)OCCO Z1255385954 [0,1,0,0,0,1|1,0,0]=3 393 B9R0.4 CCNCC(=O)NC(C)C Z46194033 [0,1,0,0,0,1|1,0,1]=4 394 B9R0.4 NC(=O)NC(=O)OCCCl Z826530154 [0,1,0,0,0,1|2,0,0]=4 395 B9R0.4 NCCCC(=O)NC(=O)N Z1416282444 [0,1,0,0,0,1|1,0,0]=3 396 B9R0.6 CCOC(=O)C(=C(C)C)F Z1424782014 [0,1,0,0,0,1|2,0,0]=4 397 B9R0.6 CCOC(=O)C(F)C(=O)C Z254254500 [0,1,0,0,0,1|1,0,0]=3 398 B9R0.23 CCC(N)C(=O)OC(C)C Z3318668164 [0,1,0,0,0,1|1,0,1]=4 399 B9R0.23 COC(=O)C(=O)CC(=O)C Z111869226 [0,1,0,0,0,1|1,0,1]=4 400 B9R0.34 CCCC(C)NC(=O)CCl Z56886269 [0,1,0,0,0,1|1,0,1]=4 401 B9R0.34 CCCC(N)CC(=O)OC Z1582263053 [0,1,0,0,0,1|1,0,1]=4 402 B9R0.34 CCNC(=O)NC(=O)CCl Z56910355 [0,1,0,0,0,1|1,0,0]=3 403 B9R0.34 CCOC(=O)CC(=O)NN Z56899139 [0,1,0,0,0,1|2,0,0]=4 404 B9R0.34 CCOC(=O)CN(C)C=O Z1258522254 [0,1,0,0,0,1|2,0,0]=4 405 B9R0.34 CNC(=O)NC(=O)CCCl Z108154224 [0,1,0,0,0,1|1,0,0]=3 406 B9R0.34 COCC(=O)CC(=O)OC Z104495598 [0,1,0,0,0,1|1,0,0]=3 407 B9R0.44 CS(=O)(=O)NC(=O)CCN Z1881598373 [0,1,0,0,0,1|2,0,0]=4 408 B9R0.53 CC(N)CC(=O)NC(C)C Z594220276 [0,1,0,0,0,1|1,0,1]=4 409 B9R0.58 CCCS(=O)(=O)CC(=O)O Z295402416 [0,1,0,0,0,1|2,0,0]=4 410 B9R0.27 CCC(C)C(N)C(=O)OC Z90123616 [0,2,0,0,0,0|1,0,1]=4 411 B9R0.27 CCC(N)C(O)C(=O)OC Z2232973431 [0,2,0,0,0,0|0,0,2]=4 412 B9R0.27 CCC(O)C(C)C(=O)OC Z982132706 [0,2,0,0,0,0|1,0,1]=4 413 B9R0.79 CC(C)C(N)C(=O)N(C)C Z317076156 [0,2,0,0,0,0|2,0,0]=4 414 B9R0.79 CC(C)C(O)C(=O)N(C)C Z1813165986 [0,2,0,0,0,0|2,0,0]=4 415 B9R0.79 CC(C)N(O)C(=O)C(=O)O Z1205656969 [0,2,0,0,0,0|2,0,0]=4 416 B9R0.8 CCCCC(N)C(=O)OC Z1675167157 [0,2,0,0,0,0|1,0,1]=4 417 B9R0.8 CCNCC(C)C(=O)OC Z431542702 [0,2,0,0,0,0|1,0,1]=4 418 B9R0.8 CNC(=O)C(O)CCSC Z1629562419 [0,2,0,0,0,0|0,0,2]=4 419 B9R0.8 COC(=O)N(C)CCCO Z1896509823 [0,2,0,0,0,0|2,0,0]=4 420 B9R0.8 COCCC(N)C(=O)OC Z2168389573 [0,2,0,0,0,0|1,0,1]=4 421 B9R0.35 CCCC(C)C(=O)CC#N Z360167292 [0,2,0,0,0,0|1,0,1]=4 422 B9R0.35 CCOC(=O)C(=O)OCC Z104473164 [0,2,0,0,0,0|1,0,0]=3 423 B9R0.60 CCCC(C)(N)C(=O)OC Z324254272 [0,2,0,0,0,0|1,0,1]=4 424 B9R0.7 C=C(CCN(C)C)C(=O)O Z2582507950 [0,2,0,0,0,0|2,0,0]=4 425 B9R0.7 CC(C)CNC(=O)C(C)Cl Z147652104 [0,2,0,0,0,0|1,0,1]=4 426 B9R0.7 CC(C)CNC(=O)C(C)N Z1449763125 [0,2,0,0,0,0|1,0,1]=4 427 B9R0.7 CC(C)COC(=O)C(C)O Z1198162798 [0,2,0,0,0,0|0,0,2]=4 428 B9R0.7 O=C(O)C(=O)NCC(F)F Z1493061625 [0,2,0,0,0,0|2,0,0]=4 429 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [0,2,0,0,0,0|1,0,1]=4 430 B9R0.13 CCC/C=C(/C#N)\C(=O)O Z1814381743 [0,2,0,0,0,0|2,0,0]=4 431 B9R0.42 CCC(C)NC(=O)C(C)N Z271752262 [0,2,0,0,0,0|1,0,1]=4 432 B9R0.42 CNC(C)CN(C)C(=O)C Z4994365145 [0,2,0,0,0,0|2,0,0]=4 433 B9R0.47 CCCNCC(=O)N(C)C Z104884780 [0,2,0,0,0,0|2,0,0]=4 434 B9R0.47 CN(C)C(=O)NCCCN Z3409169049 [0,2,0,0,0,0|2,0,0]=4 435 B9R0.47 CN(C)C(=O)OCCCN Z3481792990 [0,2,0,0,0,0|2,0,0]=4 436 B9R0.47 CNCCNC(=O)C(C)C Z1456769149 [0,2,0,0,0,0|1,0,1]=4 437 B9R0.47 CNCCNC(=O)N(C)C Z1312195053 [0,2,0,0,0,0|2,0,0]=4 438 B9R0.47 COCCNC(=O)C(=O)O Z424779030 [0,2,0,0,0,0|1,0,0]=3 439 B9R0.47 COCCNC(=O)C(C)Cl Z147652072 [0,2,0,0,0,0|1,0,1]=4 440 B9R0.47 COCCNC(=O)C(C)O Z431951924 [0,2,0,0,0,0|0,0,2]=4 441 B7R1.1 COC1=NCCC1 Z147641734 [1,0,0,1,0,0|2,0,0]=4 442 B7R1.1 O=CC1=CCCC1 Z1190318866 [1,0,0,1,0,0|1,0,0]=3 443 B7R1.1 O=CC1=CCSC1 Z57981092 [1,0,0,1,0,0|2,0,0]=4 444 B7R1.1 O=CC1CCCC1 Z875036058 [1,0,0,1,0,0|1,0,1]=4 445 B7R1.1 O=CN1CCCC1 Z1255394997 [1,0,0,1,0,0|2,0,0]=4 446 B7R1.2 CC1CC(=O)CN1 Z1509349081 [1,0,0,1,0,0|1,0,1]=4 447 B7R1.2 CC1CC(=O)NN1 Z217165562 [1,0,0,1,0,0|2,0,0]=4 448 B7R1.2 CC1CCC(=O)N1 Z1250132456 [1,0,0,1,0,0|1,0,1]=4 449 B7R1.2 CC1CCC(=O)O1 Z963595138 [1,0,0,1,0,0|1,0,1]=4 450 B7R1.2 CC1CNC(=N)C1 Z4085233400 [1,0,0,1,0,0|2,0,0]=4 451 B7R1.2 CC1CNC(=O)C1 Z959319678 [1,0,0,1,0,0|1,0,0]=3 452 B7R1.2 CC1CNC(=O)N1 Z1203730895 [1,0,0,1,0,0|2,0,0]=4 453 B7R1.2 CC1CNC(=O)O1 Z1198149952 [1,0,0,1,0,0|2,0,0]=4 454 B7R1.2 CN1CCC(=O)C1 Z415646350 [1,0,0,1,0,0|1,0,1]=4 455 B7R1.2 NC1CNC(=O)C1 Z1198329759 [1,0,0,1,0,0|2,0,0]=4 456 B7R1.2 O=C1CC(CN1)O Z1198157723 [1,0,0,1,0,0|2,0,0]=4 457 B7R1.3 CC1=CCCNC1 Z2143573194 [1,0,0,1,0,0|2,0,0]=4 458 B7R1.3 FC1=CCCNC1 Z1570657372 [1,0,0,1,0,0|2,0,0]=4 459 B7R1.3 NC1=NCCCC1 Z1723418848 [1,0,0,1,0,0|2,0,0]=4 460 B7R1.3 O=C1C=CCCC1 Z295197140 [1,0,0,1,0,0|0,0,1]=3 461 B7R1.3 O=C1C=CCCO1 Z1255402681 [1,0,0,1,0,0|1,0,1]=4 462 B7R1.3 O=C1CCCCC1 Z104474256 [1,0,0,1,0,0|0,0,1]=3 463 B7R1.3 O=C1CCCCN1 Z168817684 [1,0,0,1,0,0|1,0,0]=3 464 B7R1.3 O=C1CCCCO1 Z432085120 [1,0,0,1,0,0|1,0,0]=3 465 B7R1.3 O=C1CCCCS1 Z1726147018 [1,0,0,1,0,0|1,0,0]=3 466 B7R1.3 O=C1CCCNC1 Z3063726909 [1,0,0,1,0,0|1,0,1]=4 467 B7R1.3 O=C1CCCNN1 Z1416174508 [1,0,0,1,0,0|2,0,0]=4 468 B7R1.3 O=C1CCCSC1 Z979714552 [1,0,0,1,0,0|0,1,1]=4 469 B7R1.3 O=C1CCNCC1 Z1741959513 [1,0,0,1,0,0|1,0,1]=4 470 B7R1.3 O=C1CNCCN1 Z56968535 [1,0,0,1,0,0|2,0,0]=4 471 B7R1.3 O=C1CSCCN1 Z337709368 [1,0,0,1,0,0|2,0,0]=4 472 B7R1.3 O=C1NCCCN1 Z1203730774 [1,0,0,1,0,0|2,0,0]=4 473 B7R1.3 O=C1NCCCO1 Z1198312172 [1,0,0,1,0,0|2,0,0]=4 474 B7R1.4 C=C1CCOC1=O Z1255438435 [1,0,0,1,0,0|1,0,1]=4 475 B7R1.4 CC1=C(CNC1)C Z1203817906 [1,0,0,1,0,0|2,0,0]=4 476 B7R1.4 CC1CCCC1=O Z813018382 [1,0,0,1,0,0|0,0,1]=3 477 B7R1.4 CC1CCNC1=O Z1198147219 [1,0,0,1,0,0|1,0,1]=4 478 B7R1.4 CC1NCCC1=O Z2733314209 [1,0,0,1,0,0|1,0,1]=4 479 B7R1.4 CN1CCCC1=O Z104478382 [1,0,0,1,0,0|1,0,0]=3 480 B7R1.4 CN1CCNC1=O Z336079928 [1,0,0,1,0,0|2,0,0]=4 481 B7R1.4 CN1CNCC1=O Z1601562352 [1,0,0,1,0,0|2,0,0]=4 482 B7R1.4 O=C1CCCC1Cl Z104492966 [1,0,0,1,0,0|1,0,1]=4 483 B7R1.9 CCC1CC1C=O Z1513989944 [1,0,0,1,0,0|1,0,1]=4 484 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [1,0,0,1,0,0|1,0,1]=4 485 B7R1.22 CC(C=O)C1CC1 Z1263529480 [1,0,0,1,0,0|1,0,1]=4 486 B7R1.22 CNC(=N)C1CC1 Z2120060845 [1,0,0,1,0,0|2,0,0]=4 487 B7R1.22 CNC(=O)C1CC1 Z32016401 [1,0,0,1,0,0|1,0,0]=3 488 B7R1.22 NNC(=O)C1CC1 Z56891400 [1,0,0,1,0,0|2,0,0]=4 489 B7R1.22 O=C(CCl)C1CC1 Z1205657701 [1,0,0,1,0,0|1,0,1]=4 490 B7R1.22 O=C(CO)C1CC1 Z1172087188 [1,0,0,1,0,0|0,0,2]=4 491 B7R1.22 O=C(NO)C1CC1 Z59183989 [1,0,0,1,0,0|1,0,1]=4 492 B7R1.25 CC1(CCC1)C=O Z1198728427 [1,0,0,1,0,0|1,0,1]=4 493 B7R1.27 CC1CC1(C)C=O Z1513984691 [1,0,0,1,0,0|1,0,1]=4 494 B7R1.12 CC(=O)C1CC1C Z1259336498 [1,0,0,1,0,0|1,0,1]=4 495 B7R1.17 CC1(CCC1=O)C Z1416192672 [1,0,0,1,0,0|1,0,1]=4 496 B7R1.19 CC(=O)C1(CC1)C Z56969338 [1,0,0,1,0,0|1,0,1]=4 497 B7R1.19 CC(=O)C1(CC1)N Z2273234943 [1,0,0,1,0,0|1,0,1]=4 498 B7R1.20 CC(=O)CC1CC1 Z1198160502 [1,0,0,1,0,0|0,0,1]=3 499 B7R1.20 NC(=O)CC1CC1 Z365255854 [1,0,0,1,0,0|1,0,1]=4 500 B7R1.20 NC(=O)NC1CC1 Z57000532 [1,0,0,1,0,0|2,0,0]=4 501 B7R1.20 O=C(O)CC1CC1 Z234893653 [1,0,0,1,0,0|1,0,1]=4 502 B9R1.7 CCCC1=CC(=O)NN1 Z2583036240 [0,0,0,1,0,1|2,0,0]=4 503 B9R1.7 CCCC1=CNC(=O)N1 Z1203732484 [0,0,0,1,0,1|2,0,0]=4 504 B9R1.7 CCCC1=NC(=NN1)C Z385478576 [0,0,0,1,0,1|2,0,0]=4 505 B9R1.7 CCCC1=NNC(=O)O1 Z1206172050 [0,0,0,1,0,1|2,0,0]=4 506 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [0,0,0,1,0,1|0,0,2]=4 507 B9R1.13 CC(=O)NC1=NCCS1 Z30009074 [0,0,0,1,0,1|1,1,0]=4 508 B9R1.13 CC(=O)NC1CCCC1 Z32413858 [0,0,0,1,0,1|1,0,1]=4 509 B9R1.13 NC(=O)C=C1CCCC1 Z741560360 [0,0,0,1,0,1|2,0,0]=4 510 B9R1.13 O=C(O)C=C1CCCC1 Z352748244 [0,0,0,1,0,1|2,0,0]=4 511 B9R1.22 CCC1NC(=O)NC1=O Z270832922 [0,0,0,1,0,1|1,0,0]=3 512 B9R1.22 CCC1SC(=NC1=O)N Z57148419 [0,0,0,1,0,1|1,1,0]=4 513 B9R1.22 CCN1N=C(CC1=O)C Z277112236 [0,0,0,1,0,1|2,0,0]=4 514 B9R1.22 NCC1NC(=O)NC1=O Z5935085403 [0,0,0,1,0,1|2,0,0]=4 515 B9R1.22 O=C1NC(=O)C(N1)CO Z425453006 [0,0,0,1,0,1|2,0,0]=4 516 B9R1.22 O=C1NC(=O)C(N1)CS Z235339363 [0,0,0,1,0,1|2,0,0]=4 517 B9R1.22 O=C1NC(=O)[C@@H](N1)CO Z1203747347 [0,0,0,1,0,1|2,0,0]=4 518 B9R1.34 CC1CC(=CC(=O)O1)O Z1255485574 [0,0,0,1,0,1|1,0,1]=4 519 B9R1.34 CC1CC(=O)NC(=O)C1 Z1041181212 [0,0,0,1,0,1|0,0,0]=2 520 B9R1.34 NC1CC(=O)NC(=O)C1 Z2867491050 [0,0,0,1,0,1|1,0,0]=3 521 B9R1.38 CC1CC(=O)NC1(C)C Z1258978106 [0,0,0,1,0,1|1,0,1]=4 522 B9R1.41 CC(=O)N1CCNC1=S Z56755947 [0,0,0,1,0,1|1,1,0]=4 523 B9R1.41 CC(C)C1CCCC1=O Z993018308 [0,0,0,1,0,1|1,0,1]=4 524 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [0,0,0,1,0,1|2,0,0]=4 525 B9R1.41 O=C(O)C1=C(CCC1)Cl Z1198161164 [0,0,0,1,0,1|2,0,0]=4 526 B9R1.41 O=C(O)C1CCNC1=O Z1203733517 [0,0,0,1,0,1|2,0,0]=4 527 B9R1.48 O=C1CCCCC(=O)C1 Z607750376 [0,0,0,1,0,1|0,0,0]=2 528 B9R1.48 O=C1CCCNC(=O)C1 Z1203731695 [0,0,0,1,0,1|1,0,0]=3 529 B9R1.66 CS1(=NC(=O)NCC1)=O Z3362224804 [0,0,0,1,0,1|2,0,0]=4 530 B9R1.66 O=C1CCCS(=O)(=O)C1 Z1065610146 [0,0,0,1,0,1|2,0,0]=4 531 B9R1.66 O=C1CCCS(=O)(=O)N1 Z1201624740 [0,0,0,1,0,1|2,0,0]=4 532 B9R1.137 C/C(=C\C(=O)O)/C1CC1 Z352747102 [0,0,0,1,0,1|2,0,0]=4 533 B9R1.177 CCCC1(CC(=O)N1)C Z1238837566 [0,0,0,1,0,1|1,0,1]=4 534 B9R1.3 CC1=C(C(CCC1)N)C Z3814443111 [0,1,0,1,0,0|2,0,0]=4 535 B9R1.3 CC1CCCC(=O)C1C Z1198319146 [0,1,0,1,0,0|1,0,1]=4 536 B9R1.3 CN1CCCC(C1=O)N Z1203581592 [0,1,0,1,0,0|1,0,1]=4 537 B9R1.3 CN1CCNC(=O)C1=O Z1037603248 [0,1,0,1,0,0|1,0,0]=3 538 B9R1.3 NC1CCCN(C1=O)O Z1203581684 [0,1,0,1,0,0|1,0,1]=4 539 B9R1.37 CN1C(=O)CC(C1=O)N Z1262398536 [0,1,0,1,0,0|2,0,0]=4 540 B9R1.101 CC(C#N)C(=O)C1CC1 Z385381338 [0,1,0,1,0,0|1,0,1]=4 541 B9R1.101 CN(C(=O)CCl)C1CC1 Z409098332 [0,1,0,1,0,0|2,0,0]=4 542 B9R1.101 CN(C(=O)CO)C1CC1 Z820676070 [0,1,0,1,0,0|2,0,0]=4 543 B9R1.101 COC(=O)C(O)C1CC1 Z965047816 [0,1,0,1,0,0|0,0,2]=4 544 B9R1.110 CC(=C1CCC1)C(=O)O Z1341746422 [0,1,0,1,0,0|2,0,0]=4 545 B9R1.110 CC(Cl)C(=O)N1CCC1 Z381358542 [0,1,0,1,0,0|1,0,1]=4 546 B9R1.111 CN(C)C(=O)C1(CC1)N Z1562155990 [0,1,0,1,0,0|2,0,0]=4 547 B9R1.132 CCC1=C(C(=O)NC1)C Z1203731042 [0,1,0,1,0,0|1,0,1]=4 548 B9R1.138 CC1(CCC(C1=O)Cl)C Z1350877025 [0,1,0,1,0,0|1,0,1]=4 549 B9R1.188 COC(=O)[C@]1(C[C@H]1C)N Z4178104558 [0,1,0,1,0,0|1,0,1]=4 550 B9R1.5 CC1CCCCNC1=O Z1198181151 [0,1,0,1,0,0|1,0,1]=4 551 B9R1.5 CC1NCCCNC1=O Z1203829873 [0,1,0,1,0,0|1,0,1]=4 552 B9R1.5 CN1CCCNCC1=O Z1198179782 [0,1,0,1,0,0|2,0,0]=4 553 B9R1.5 NC1CCCCCC1=O Z2213893401 [0,1,0,1,0,0|1,0,1]=4 554 B9R1.5 NC1CCCCNC1=O Z281895050 [0,1,0,1,0,0|1,0,1]=4 555 B9R1.5 O=C1CCCCCC1Cl Z223607164 [0,1,0,1,0,0|1,0,1]=4 556 B9R1.5 O=C1NCCCCC1Br Z220343714 [0,1,0,1,0,0|1,0,1]=4 557 B9R1.11 CCC(=O)C1CCCC1 Z513735272 [0,1,0,1,0,0|1,0,1]=4 558 B9R1.11 CNC(=O)C1=CCCC1 Z1203734370 [0,1,0,1,0,0|1,0,0]=3 559 B9R1.11 CNC(=O)C1CCCN1 Z252845110 [0,1,0,1,0,0|1,0,1]=4 560 B9R1.11 COC(=O)C1CCCC1 Z18376105 [0,1,0,1,0,0|1,0,1]=4 561 B9R1.11 COC(=O)C1CCCN1 Z240133664 [0,1,0,1,0,0|1,0,1]=4 562 B9R1.11 COC(=O)[C@@H]1CCCN1 Z1263714077 [0,1,0,1,0,0|1,0,1]=4 563 B9R1.11 NCC(=O)N1CCCC1 Z1449745390 [0,1,0,1,0,0|2,0,0]=4 564 B9R1.11 O=C(CCl)C1CCCC1 Z1198266546 [0,1,0,1,0,0|1,0,1]=4 565 B9R1.11 O=C(CCl)C1CCCO1 Z1205660980 [0,1,0,1,0,0|0,0,2]=4 566 B9R1.11 O=C(CCl)N1CCCC1 Z56896279 [0,1,0,1,0,0|2,0,0]=4 567 B9R1.11 O=C(CO)N1CCCC1 Z431952022 [0,1,0,1,0,0|2,0,0]=4 568 B9R1.15 CSC1CCCCC1=O Z732208578 [0,1,0,1,0,0|0,1,1]=4 569 B9R1.15 N#CC1=C(CCCC1)Cl Z1251189979 [0,1,0,1,0,0|2,0,0]=4 570 B9R1.15 N#CC1=C(CCCC1)N Z826654472 [0,1,0,1,0,0|2,0,0]=4 571 B9R1.15 N#CC1CCCCC1=O Z1137167009 [0,1,0,1,0,0|1,0,1]=4 572 B9R1.69 CC1CCC(=O)C(C1)C Z854046072 [0,1,0,1,0,0|1,0,1]=4 573 B9R1.69 CC1CCC(C(=O)C1)C Z1238548176 [0,1,0,1,0,0|1,0,1]=4 574 B9R1.69 CC1CN(CCC1=O)C Z825753356 [0,1,0,1,0,0|1,0,1]=4 575 B9R1.69 CC1CNC(=O)C(C1)C Z1203733670 [0,1,0,1,0,0|1,0,1]=4 576 B9R1.69 CN1CC(CCC1=O)O Z1504678538 [0,1,0,1,0,0|2,0,0]=4 577 B9R1.69 CN1CCC(CC1=O)N Z1795817781 [0,1,0,1,0,0|2,0,0]=4 578 B9R1.69 CN1CCN(C(=O)C1)C Z4270926764 [0,1,0,1,0,0|2,0,0]=4 579 B9R1.186 COC(=O)C1(CCC1)O Z787621610 [0,1,0,1,0,0|0,0,2]=4 580 B9R1.6 CC(=O)C1=CNCCC1 Z238880918 [0,1,0,1,0,0|1,0,0]=3 581 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [0,1,0,1,0,0|1,0,1]=4 582 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [0,1,0,1,0,0|0,0,2]=4 583 B9R1.6 CC(=O)C1CCNCC1 Z1741977299 [0,1,0,1,0,0|1,0,1]=4 584 B9R1.6 CC(=O)C1CCOCC1 Z1178490124 [0,1,0,1,0,0|1,0,1]=4 585 B9R1.6 CC(=O)N1CCCOC1 Z2143251901 [0,1,0,1,0,0|1,0,1]=4 586 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [0,1,0,1,0,0|1,0,1]=4 587 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [0,1,0,1,0,0|1,0,1]=4 588 B9R1.6 NC(=O)C1=CNCCC1 Z1201618199 [0,1,0,1,0,0|2,0,0]=4 589 B9R1.6 O=C(O)C1=CCCNC1 Z1198149389 [0,1,0,1,0,0|2,0,0]=4 590 B9R1.6 O=C(O)C1=CCCSC1 Z1172114103 [0,1,0,1,0,0|2,0,0]=4 591 B9R1.6 O=C(O)C1=COCCC1 Z1013753084 [0,1,0,1,0,0|1,0,1]=4 592 B9R1.23 CCC1=NN(C(=O)C1)C Z50146895 [0,1,0,1,0,0|2,0,0]=4 593 B9R1.23 CCC1CC(C(=O)N1)C Z1203824349 [0,1,0,1,0,0|1,0,1]=4 594 B9R1.23 CN1CC(CC1=O)CO Z1198184730 [0,1,0,1,0,0|2,0,0]=4 595 B9R1.35 CC(=O)N1CCC(C1)I Z1486011417 [0,1,0,1,0,0|2,0,0]=4 596 B9R1.35 CC(=O)N1CCC(C1)N Z1421529530 [0,1,0,1,0,0|2,0,0]=4 597 B9R1.35 CC(=O)N1CCC(C1)O Z1037571952 [0,1,0,1,0,0|2,0,0]=4 598 B9R1.35 CC(=O)N1CC[C@H](C1)N Z4485354356 [0,1,0,1,0,0|2,0,0]=4 599 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [0,1,0,1,0,0|2,0,0]=4 600 B9R1.40 CC1(CCCCC1=O)C Z1238550479 [0,1,0,1,0,0|1,0,1]=4 601 B9R1.100 CSCCC(=O)C1CC1 Z1201678963 [0,1,0,1,0,0|1,0,1]=4 602 B9R1.112 CC(Cl)C(=O)NC1CC1 Z55928793 [0,1,0,1,0,0|1,0,1]=4 603 B9R1.112 CC(N)C(=O)NC1CC1 Z1449762329 [0,1,0,1,0,0|1,0,1]=4 604 B9R1.112 O=C(O)C(=O)NC1CC1 Z424779034 [0,1,0,1,0,0|1,0,0]=3 605 B9R1.163 CC(=O)C1(CCCC1)N Z2736561944 [0,1,0,1,0,0|1,0,1]=4 606 B9R1.163 CC(=O)C1(CCCO1)C Z1389051490 [0,1,0,1,0,0|0,0,2]=4 607 B9R2.140 O=C1CCC12CCC2 Z1198313571 [0,0,0,2,0,0|1,0,1]=4 608 B9R0.48 CCCC(=O)NCC(=O)O Z285193236 [0,0,0,0,0,2|1,0,0]=3 609 B9R0.48 CCNC(=O)CCC(=O)O Z90312637 [0,0,0,0,0,2|2,0,0]=4 610 B9R0.48 CCOC(=O)/C=C/C(=O)O Z2315575179 [0,0,0,0,0,2|2,0,0]=4 611 B9R0.48 CCOC(=O)CCC(=O)O Z56896764 [0,0,0,0,0,2|2,0,0]=4 612 B9R0.48 CCOC(=O)CNC(=O)C Z54529208 [0,0,0,0,0,2|1,0,0]=3 613 B9R0.48 CCOC(=O)NCC(=O)O Z64434253 [0,0,0,0,0,2|2,0,0]=4 614 B9R0.48 NCCC(=O)NCC(=O)O Z1901071297 [0,0,0,0,0,2|2,0,0]=4