0 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.6 CC(=O)NCB(O)O Z1198183387 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 CC(=O)OCC(=S)N Z411884132 [0,0,0,0,0,0|3,1,0]=4 5 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.6 CC(C)NCC(=O)O Z359419672 [0,0,0,0,0,0|3,0,1]=4 7 B7R0.6 CC(C)OCC(=O)O Z316259244 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.6 CC(C)SCC(=O)O Z214812600 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,0,0,0,0,0|1,0,1]=2 11 B7R0.6 CN(C)CCC(=O)N Z168912842 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.6 CS(=O)CCC(=O)O Z667974346 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.6 N=C(N)NCC(=O)O Z586248684 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [0,0,0,0,0,0|3,0,0]=3 16 B7R0.6 NC(=O)C#CC(=O)N Z1203578096 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.6 NC(=O)NCC(=O)O Z57009586 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [0,0,0,0,0,0|0,0,2]=2 19 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,0,0,0,0,0|0,0,0]=0 20 B7R0.6 O=C(O)CN[N+](=O)[O-] Z1198158238 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.4 C#CCCC(=O)O Z295890062 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.4 C=CCCC(=O)C Z406376894 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.4 C=CCCC(=O)O Z995028722 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.4 C=CCNC(=O)C Z32064466 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.4 C=CCNC(=O)N Z56904662 [1,0,0,0,0,0|3,0,0]=4 26 B6R0.4 CC(=O)CCC#N Z1251352415 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.4 CCCCC(=O)N Z104476278 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 CCCCC(=O)O Z104473312 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.4 CCNCC(=O)O Z744593094 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.4 CCOCC(=O)O Z104495232 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.4 CNCCC(=O)C Z1536943318 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.4 COCCC(=O)C Z362119682 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.4 COCCC(=O)N Z394696458 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.4 COCCC(=O)O Z285184634 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.4 CSCCC(=O)O Z54719251 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.4 N#CCCC(=O)N Z57160408 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.4 NC(=O)CCCO Z1203578394 [1,0,0,0,0,0|1,0,1]=3 38 B6R0.4 NC(=O)OCCO Z1198158440 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.4 NCCCC(=O)N Z398513418 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.4 NCCCC(=O)O Z104475620 [1,0,0,0,0,0|1,0,1]=3 41 B6R0.4 NCCCS(=O)O Z1203579399 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,0,0,0,0,0|0,0,3]=4 43 B6R0.4 O=C(O)C#CCO Z1198169479 [1,0,0,0,0,0|0,0,3]=4 44 B6R0.4 O=C(O)CCCS Z147642510 [1,0,0,0,0,0|0,1,1]=3 45 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [0,1,0,0,0,0|2,0,1]=4 46 B8R0.9 CC(C)CCC(=O)NO Z59183904 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,1,0,0,0,0|1,0,0]=2 49 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,1,0,0,0,0|2,0,0]=3 50 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [0,1,0,0,0,0|3,0,0]=4 52 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [0,1,0,0,0,0|1,0,0]=2 53 B8R0.9 CNC(=O)CNC(=O)C Z32016377 [0,1,0,0,0,0|3,0,0]=4 54 B8R0.9 CNC(=O)NCC(=O)O Z223126780 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.9 COC(=O)/C=C/C(=O)O Z2315585555 [0,1,0,0,0,0|0,0,2]=3 56 B8R0.9 COC(=O)CCC(=O)O Z57663583 [0,1,0,0,0,0|0,0,0]=1 57 B8R0.9 COC(=O)NCC(=O)O Z111492620 [0,1,0,0,0,0|1,0,0]=2 58 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,1,0,0,0,0|1,0,1]=3 59 B8R0.9 CSC(C)CCC(=O)O Z963595804 [0,1,0,0,0,0|1,1,1]=4 60 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [0,1,0,0,0,0|1,0,0]=2 61 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [0,1,0,0,0,0|2,0,0]=3 62 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.23 C/C(=C\C(=O)O)/C(=O)O Z104476308 [0,1,0,0,0,0|0,0,2]=3 64 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,1,0,0,0,0|2,0,0]=3 65 B8R0.23 C=C(CC(=O)O)C(=O)O Z57127539 [0,1,0,0,0,0|0,0,1]=2 66 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [0,1,0,0,0,0|2,0,0]=3 67 B8R0.23 CC(=O)N(C)CC(=O)O Z85895184 [0,1,0,0,0,0|2,0,0]=3 68 B8R0.23 CC(=O)NC(C)C(=O)O Z104483794 [0,1,0,0,0,0|2,0,0]=3 69 B8R0.23 CC(=O)N[C@@H](C)C(=O)O Z98655371 [0,1,0,0,0,0|2,0,0]=3 70 B8R0.23 CC(=O)N[C@H](C)C(=O)O Z829930658 [0,1,0,0,0,0|2,0,0]=3 71 B8R0.23 CC(C)C(C)CC(=O)O Z234897253 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [0,1,0,0,0,0|2,0,1]=4 73 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.23 CC(CC(=O)N)C(=O)O Z1203581899 [0,1,0,0,0,0|1,0,0]=2 78 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,1,0,0,0,0|1,0,0]=2 79 B8R0.23 CC(CC(=O)O)N(C)C Z431539982 [0,1,0,0,0,0|3,0,0]=4 80 B8R0.23 CC(CC(F)F)C(=O)O Z1198342616 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [0,1,0,0,0,0|3,0,0]=4 82 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,1,0,0,0,0|2,0,0]=3 83 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.23 CC(NC(=O)N)C(=O)O Z56858169 [0,1,0,0,0,0|2,0,0]=3 85 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [0,1,0,0,0,0|3,0,0]=4 86 B8R0.23 CN(CC(=O)O)C(=N)N Z1203577925 [0,1,0,0,0,0|3,0,0]=4 87 B8R0.23 CN(CC(=O)O)C(=O)N Z126513734 [0,1,0,0,0,0|2,0,0]=3 88 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,1,0,0,0,0|1,0,0]=2 90 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,1,0,0,0,0|1,0,0]=2 91 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,1,0,0,0,0|1,0,0]=2 92 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,1,0,0,0,0|0,0,0]=1 93 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,1,0,0,0,0|0,0,0]=1 95 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,1,0,0,0,0|0,0,0]=1 96 B8R0.23 O=C(O)/C=C(\I)/C(=O)O Z540727104 [0,1,0,0,0,0|0,0,2]=3 97 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,1,0,0,0,0|0,0,1]=2 98 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,1,0,0,0,0|0,0,0]=1 99 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,1,0,0,0,0|0,0,0]=1 100 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,1,0,0,0,0|0,0,0]=1 101 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,1,0,0,0,0|0,0,0]=1 102 B8R0.29 CC(=O)CCS(=O)(=O)C Z992965806 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.29 CC(C)(C)CCC(=O)O Z819990896 [0,1,0,0,0,0|2,0,1]=4 104 B8R0.29 CC(C)(N)CCC(=O)O Z1259041013 [0,1,0,0,0,0|2,0,1]=4 105 B8R0.29 CC(C)(O)CCC(=O)[O-] Z1718361752 [0,1,0,0,0,0|1,0,2]=4 106 B8R0.29 CC(F)(F)CCC(=O)O Z316121454 [0,1,0,0,0,0|2,0,1]=4 107 B8R0.29 CS(=O)(=O)CCC(=O)O Z295403530 [0,1,0,0,0,0|1,0,1]=3 108 B8R0.29 NS(=O)(=O)CCC(=O)O Z327222556 [0,1,0,0,0,0|1,0,1]=3 109 B8R0.29 NS(=O)(=O)NCC(=O)O Z295879318 [0,1,0,0,0,0|2,0,1]=4 110 B8R0.29 O=C(O)CCS(=O)(=O)[O-] Z2301438443 [0,1,0,0,0,0|1,0,1]=3 111 B8R1.3 CC1=NNC(=O)CC1 Z49527484 [0,0,0,1,0,0|3,0,0]=4 112 B8R1.3 O=C1CCC(=O)CC1 Z877626718 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.3 O=C1CCC(=O)NC1 Z1198221828 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.3 O=C1CCS(=O)CC1 Z826531086 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.3 O=C1CNC(=O)CN1 Z56854487 [0,0,0,1,0,0|3,0,0]=4 116 B8R1.3 O=C1COC(=O)CO1 Z1201618919 [0,0,0,1,0,0|2,0,0]=3 117 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.23 NC(=O)C1CC(=O)C1 Z1486002682 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,0,0,1,0,0|2,0,1]=4 121 B8R1.23 O=C([O-])[C@H]1C[C@@H](C1)O Z4399321929 [0,0,0,1,0,0|1,0,2]=4 122 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,0,0,1,0,0|1,0,0]=2 123 B8R1.51 CC1(CCC(=O)O1)C Z854234982 [0,0,0,1,0,0|2,0,1]=4 124 B8R1.77 CC1(CC1C(=O)O)C Z979743336 [0,0,0,1,0,0|2,0,1]=4 125 B8R1.77 O=C(O)C1CC1(Br)Br Z600508418 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.77 O=C(O)C1CC1(Cl)Cl Z56983732 [0,0,0,1,0,0|2,0,1]=4 127 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,0,0,0,1,0|2,0,1]=4 128 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,0,0,0,1,0|2,0,0]=3 129 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,0,0,0,1,0|2,0,1]=4 130 B6R0.2 CC(=O)NC(=O)N Z104476284 [0,0,0,0,1,0|3,0,0]=4 131 B6R0.2 CC(C)CC(=O)O Z104474910 [0,0,0,0,1,0|2,0,1]=4 132 B6R0.2 CC(N)CC(=O)O Z147647144 [0,0,0,0,1,0|2,0,1]=4 133 B6R0.2 CN(C)CC(=O)O Z235580496 [0,0,0,0,1,0|3,0,0]=4 134 B6R0.2 CS(=O)CC(=O)N Z1203581973 [0,0,0,0,1,0|3,0,0]=4 135 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [0,0,0,0,1,0|2,0,1]=4 136 B6R0.2 N=C(N)CC(=O)N Z104480060 [0,0,0,0,1,0|3,0,0]=4 137 B6R0.2 NC(=O)CC(=O)N Z104473780 [0,0,0,0,1,0|2,0,0]=3 138 B6R0.2 NC(=O)CC(=O)O Z963467736 [0,0,0,0,1,0|1,0,0]=2 139 B6R0.2 NC(=O)NC(=O)N Z57206006 [0,0,0,0,1,0|3,0,0]=4 140 B6R0.2 O=C(O)C=C(Br)Br Z1416198234 [0,0,0,0,1,0|2,0,1]=4 141 B6R0.2 O=C(O)C=C(Cl)Cl Z1205493743 [0,0,0,0,1,0|2,0,1]=4 142 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,0,0,0,1,0|0,0,0]=1 143 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [0,0,0,0,0,1|2,0,0]=3 144 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,0,0,0,0,1|1,0,0]=2 145 B8R0.28 CC(=O)CSCC(=O)[O-] Z1359429555 [0,0,0,0,0,1|1,0,1]=3 146 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [0,0,0,0,0,1|1,0,0]=2 147 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [0,0,0,0,0,1|1,0,0]=2 148 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,0,0,0,0,1|2,0,1]=4 149 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [0,0,0,0,0,1|2,0,1]=4 150 B8R0.28 CC(C)CSCC(=O)O Z96112845 [0,0,0,0,0,1|2,0,1]=4 151 B8R0.28 CC(C)NCCC(=O)O Z235348215 [0,0,0,0,0,1|2,0,1]=4 152 B8R0.28 CC(C)OCCC(=O)O Z316259248 [0,0,0,0,0,1|2,0,1]=4 153 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,0,0,0,0,1|2,0,1]=4 154 B8R0.28 CC(N)COCC(=O)O Z3789755599 [0,0,0,0,0,1|2,0,1]=4 155 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [0,0,0,0,0,1|1,0,2]=4 156 B8R0.28 CC(O)CNCC(=O)[O-] Z3690977946 [0,0,0,0,0,1|1,0,2]=4 157 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [0,0,0,0,0,1|2,0,0]=3 158 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [0,0,0,0,0,1|1,0,0]=2 159 B8R0.28 NC(=O)CNCC(=O)N Z162774608 [0,0,0,0,0,1|2,0,0]=3 160 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [0,0,0,0,0,1|1,0,0]=2 161 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [0,0,0,0,0,1|1,0,0]=2 162 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [0,0,0,0,0,1|1,0,0]=2 163 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [0,0,0,0,0,1|0,0,0]=1 164 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [0,0,0,0,0,1|0,0,0]=1 165 B8R0.28 O=C(O)COCC(=O)O Z57965384 [0,0,0,0,0,1|0,0,0]=1 166 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [0,0,0,0,0,1|0,0,0]=1 167 B5R0.1 C#CCC(=O)O Z295890060 [2,0,0,0,0,0|0,0,2]=4 168 B5R0.1 C/C=C/C(=O)O Z104476026 [2,0,0,0,0,0|1,0,1]=4 169 B5R0.1 CC(=O)CCO Z906206900 [2,0,0,0,0,0|1,0,0]=3 170 B5R0.1 CC(O)CCO Z104473530 [2,0,0,0,0,0|1,0,1]=4 171 B5R0.1 CCCC(=O)N Z33546461 [2,0,0,0,0,0|1,0,1]=4 172 B5R0.1 CCCC(=O)O Z104495380 [2,0,0,0,0,0|0,0,1]=3 173 B5R0.1 CNCC(=O)O Z104480276 [2,0,0,0,0,0|1,0,1]=4 174 B5R0.1 COCC(=O)O Z104477404 [2,0,0,0,0,0|1,0,1]=4 175 B5R0.1 N#CCC(=O)O Z104476112 [2,0,0,0,0,0|1,0,1]=4 176 B5R0.1 N=C(N)CCO Z1198394167 [2,0,0,0,0,0|2,0,0]=4 177 B5R0.1 NC(=O)CCO Z431951940 [2,0,0,0,0,0|1,0,0]=3 178 B5R0.1 NCCC(=O)N Z415728050 [2,0,0,0,0,0|2,0,0]=4 179 B5R0.1 NCCC(=O)O Z57127544 [2,0,0,0,0,0|1,0,0]=3 180 B5R0.1 NOCC(=O)O Z90662171 [2,0,0,0,0,0|2,0,0]=4 181 B5R0.1 O=C(O)/C=C/I Z2327124440 [2,0,0,0,0,0|1,0,1]=4 182 B5R0.1 O=C(O)CCCl Z203045320 [2,0,0,0,0,0|1,0,0]=3 183 B5R0.1 O=C(O)CCS Z104474322 [2,0,0,0,0,0|0,1,0]=3 184 B5R0.1 O=C(O)CNO Z1205493750 [2,0,0,0,0,0|1,0,0]=3 185 B5R0.2 CCCCC=O Z104472992 [2,0,0,0,0,0|1,0,1]=4 186 B7R0.2 CC(CN)CC(=O)O Z1436472873 [1,1,0,0,0,0|1,0,1]=4 187 B7R0.2 CCC(C)CC(=O)O Z352782882 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.2 CCC(N)CC(=O)O Z1708090940 [1,1,0,0,0,0|1,0,1]=4 189 B7R0.2 CN(CC(=O)O)N=O Z1198151307 [1,1,0,0,0,0|2,0,0]=4 190 B7R0.2 COC(C)CC(=O)O Z431536426 [1,1,0,0,0,0|2,0,0]=4 191 B7R0.2 NCC(O)CC(=O)O Z1255390571 [1,1,0,0,0,0|1,0,1]=4 192 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [1,1,0,0,0,0|1,0,1]=4 193 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [1,1,0,0,0,0|1,0,1]=4 194 B7R0.3 CNCCC(=O)OC Z140562916 [1,1,0,0,0,0|2,0,0]=4 195 B7R0.3 COC(=O)CCC#N Z1179894109 [1,1,0,0,0,0|1,0,1]=4 196 B7R0.3 NCCCC(=O)NO Z3488307998 [1,1,0,0,0,0|1,0,1]=4 197 B7R0.3 O=C(CO)NCCO Z1203732626 [1,1,0,0,0,0|1,0,1]=4 198 B7R0.4 C#CCNCC(=O)O Z2513337624 [1,1,0,0,0,0|1,0,1]=4 199 B7R0.4 C#CCOCC(=O)O Z362807246 [1,1,0,0,0,0|1,0,1]=4 200 B7R0.4 C#CCSCC(=O)O Z149151642 [1,1,0,0,0,0|1,0,1]=4 201 B7R0.4 C=CCCCC(=O)O Z1205493561 [1,1,0,0,0,0|1,0,0]=3 202 B7R0.4 C=CCNCC(=O)O Z803145546 [1,1,0,0,0,0|1,0,0]=3 203 B7R0.4 C=CCOCC(=O)O Z362807794 [1,1,0,0,0,0|1,0,0]=3 204 B7R0.4 C=CCSCC(=O)O Z149151274 [1,1,0,0,0,0|1,0,0]=3 205 B7R0.4 CC#CCCC(=O)O Z1205493674 [1,1,0,0,0,0|1,0,1]=4 206 B7R0.4 CC(=O)NCCCO Z353570744 [1,1,0,0,0,0|1,0,1]=4 207 B7R0.4 CCCCCC(=O)O Z104503532 [1,1,0,0,0,0|1,0,1]=4 208 B7R0.4 CCCNCC(=O)O Z744582718 [1,1,0,0,0,0|1,0,1]=4 209 B7R0.4 CCCOCC(=O)O Z406677750 [1,1,0,0,0,0|1,0,1]=4 210 B7R0.4 CCCSCC(=O)O Z228425458 [1,1,0,0,0,0|1,0,1]=4 211 B7R0.4 CCNCCC(=O)O Z1869802098 [1,1,0,0,0,0|1,0,1]=4 212 B7R0.4 CCOCCC(=O)O Z316258938 [1,1,0,0,0,0|1,0,1]=4 213 B7R0.4 CCSCCC(=O)O Z197206046 [1,1,0,0,0,0|1,0,1]=4 214 B7R0.4 CNCCCC(=O)O Z57043473 [1,1,0,0,0,0|1,0,1]=4 215 B7R0.4 COCCCC(=O)C Z406376722 [1,1,0,0,0,0|1,0,1]=4 216 B7R0.4 COCCCC(=O)O Z316258912 [1,1,0,0,0,0|0,0,1]=3 217 B7R0.4 CSCCCC(=O)O Z54602911 [1,1,0,0,0,0|0,1,1]=4 218 B7R0.4 N#CCCCC(=O)O Z1198152304 [1,1,0,0,0,0|1,0,1]=4 219 B7R0.4 N#CCSCC(=O)O Z19691779 [1,1,0,0,0,0|1,0,1]=4 220 B7R0.4 NC(=O)COCCO Z1198148880 [1,1,0,0,0,0|1,0,1]=4 221 B7R0.4 NC(=O)NCCCO Z198194722 [1,1,0,0,0,0|1,0,1]=4 222 B7R0.4 NCCCCC(=O)O Z271111992 [1,1,0,0,0,0|1,0,1]=4 223 B7R0.4 NCCNCC(=O)O Z2692249907 [1,1,0,0,0,0|1,0,1]=4 224 B7R0.4 NCCOCC(=O)O Z1650039500 [1,1,0,0,0,0|1,0,1]=4 225 B7R0.4 NCCSCC(=O)O Z1381287295 [1,1,0,0,0,0|1,0,1]=4 226 B7R0.4 O=C(O)CCCCBr Z104479696 [1,1,0,0,0,0|1,0,1]=4 227 B7R0.4 O=C(O)CCCCS Z808230828 [1,1,0,0,0,0|0,1,1]=4 228 B7R0.4 O=C(O)CNCCO Z425411352 [1,1,0,0,0,0|0,0,1]=3 229 B7R0.4 O=C([O-])CCCCO Z2335631573 [1,1,0,0,0,0|0,0,2]=4 230 B7R0.4 O=C([O-])COCCO Z1744715804 [1,1,0,0,0,0|0,0,2]=4 231 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [1,1,0,0,0,0|1,0,1]=4 232 B7R0.5 C=CCC(N)C(=O)O Z317024964 [1,1,0,0,0,0|1,0,0]=3 233 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [1,1,0,0,0,0|1,0,0]=3 234 B7R0.5 CC(CCN)C(=O)O Z2298167292 [1,1,0,0,0,0|1,0,1]=4 235 B7R0.5 CC(NC=O)C(=O)O Z56757230 [1,1,0,0,0,0|1,0,0]=3 236 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,1,0,0,0,0|1,0,1]=4 237 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,1,0,0,0,0|1,0,1]=4 238 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,1,0,0,0,0|1,0,1]=4 239 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,1,0,0,0,0|1,0,1]=4 240 B7R0.5 CNCC(C)C(=O)O Z1270387301 [1,1,0,0,0,0|2,0,0]=4 241 B7R0.5 COCC(C)C(=O)O Z431541094 [1,1,0,0,0,0|2,0,0]=4 242 B7R0.5 COCC(N)C(=O)O Z1613478163 [1,1,0,0,0,0|2,0,0]=4 243 B7R0.5 CSCC(C)C(=O)O Z732206684 [1,1,0,0,0,0|2,0,0]=4 244 B7R0.5 CSCC(N)C(=O)O Z317025996 [1,1,0,0,0,0|2,0,0]=4 245 B7R0.5 NC(CCF)C(=O)O Z2470036329 [1,1,0,0,0,0|1,0,1]=4 246 B7R0.5 NC(CCO)C(=O)O Z234896487 [1,1,0,0,0,0|0,0,1]=3 247 B7R0.5 NCCC(F)C(=O)O Z3235903750 [1,1,0,0,0,0|1,0,1]=4 248 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [1,1,0,0,0,0|1,0,1]=4 249 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [1,1,0,0,0,0|1,0,1]=4 250 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [1,1,0,0,0,0|0,0,1]=3 251 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [1,1,0,0,0,0|0,0,1]=3 252 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [0,1,0,0,1,0|1,0,1]=4 253 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [0,1,0,0,1,0|1,0,1]=4 254 B7R0.9 NS(=O)(=O)CC(=O)O Z331472332 [0,1,0,0,1,0|1,0,1]=4 255 B7R0.9 O=C(O)CP(=O)(O)O Z277558864 [0,1,0,0,1,0|1,0,0]=3 256 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,1,0,0,1,0|2,0,0]=4 257 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,1,0,0,1,0|2,0,0]=4 258 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [0,1,0,0,1,0|2,0,0]=4 259 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,1,0,0,1,0|0,0,0]=2 260 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,1,0,0,1,0|1,0,1]=4 261 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,1,0,0,1,0|1,0,1]=4 262 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,1,0,0,1,0|1,0,1]=4 263 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,1,0,0,1,0|1,0,1]=4 264 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [0,1,0,0,1,0|2,0,0]=4 265 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,1,0,0,1,0|0,0,0]=2 266 B9R0.1 C=CC(=O)NCCC(=O)[O-] Z1474026249 [0,1,0,0,0,1|1,0,1]=4 267 B9R0.1 CCC(=O)NCCC(=O)O Z85914366 [0,1,0,0,0,1|1,0,0]=3 268 B9R0.1 CN(CCCC(=O)O)N=O Z1198155577 [0,1,0,0,0,1|2,0,0]=4 269 B9R0.1 CNC(=O)CCCC(=O)[O-] Z1625822283 [0,1,0,0,0,1|1,0,1]=4 270 B9R0.1 COC(=O)CCCC(=O)O Z203045008 [0,1,0,0,0,1|0,0,0]=2 271 B9R0.1 COC(=O)CCCS(=O)C Z802572168 [0,1,0,0,0,1|2,0,0]=4 272 B9R0.1 COC(=O)CSCC(=O)O Z65933549 [0,1,0,0,0,1|0,0,0]=2 273 B9R0.1 COC(=O)NCCC(=O)O Z192954732 [0,1,0,0,0,1|0,0,0]=2 274 B9R0.1 O=C(O)CCNC(=O)CO Z1203746027 [0,1,0,0,0,1|0,0,0]=2 275 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,1,0,0,0,1|2,0,0]=4 276 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,1,0,0,0,1|1,0,0]=3 277 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,1,0,0,0,1|2,0,0]=4 278 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,1,0,0,0,1|1,0,0]=3 279 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,1,0,0,0,1|1,0,0]=3 280 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,1,0,0,0,1|1,0,0]=3 281 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,1,0,0,0,1|0,0,0]=2 282 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,1,0,0,0,1|0,0,0]=2 283 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,1,0,0,0,1|0,0,0]=2 284 B9R0.7 O=C(O)CCC(=O)C(=O)O Z57127547 [0,1,0,0,0,1|0,0,0]=2 285 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] Z3767523054 [0,1,0,0,0,1|0,0,2]=4 286 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O Z1198157053 [0,1,0,0,0,1|0,0,1]=3 287 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [0,1,0,0,0,1|0,0,0]=2 288 B9R0.53 CC(CC(=O)O)NC(=O)N Z398943198 [0,1,0,0,0,1|1,0,0]=3 289 B9R0.53 CN(CC(=O)O)CC(=O)O Z119894774 [0,1,0,0,0,1|0,0,0]=2 290 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [0,1,0,0,0,1|0,0,0]=2 291 B9R0.56 CS(=O)(=O)CCCC(=O)O Z732206736 [0,1,0,0,0,1|1,0,1]=4 292 B9R0.56 CS(=O)(=O)NCCC(=O)O Z45674355 [0,1,0,0,0,1|1,0,1]=4 293 B9R0.56 NS(=O)(=O)CCCC(=O)O Z351064580 [0,1,0,0,0,1|1,0,1]=4 294 B9R0.56 O=C(O)CCCP(=O)(O)O Z1255431129 [0,1,0,0,0,1|1,0,0]=3 295 B9R0.56 O=C(O)CNCP(=O)(O)O Z3225522739 [0,1,0,0,0,1|1,0,0]=3 296 B9R0.21 COC(=O)CCS(=O)(=O)N Z227905612 [0,2,0,0,0,0|1,0,1]=4 297 B9R0.21 COC(=O)CCS(=O)(=O)[O-] Z2684295464 [0,2,0,0,0,0|1,0,1]=4 298 B9R0.23 C=CC(=O)N(C)CC(=O)O Z316091412 [0,2,0,0,0,0|2,0,0]=4 299 B9R0.23 COC(=O)C(=O)CC(=O)C Z111869226 [0,2,0,0,0,0|1,0,1]=4 300 B9R0.23 COC(=O)C(C)CC(=O)C Z838956118 [0,2,0,0,0,0|1,0,0]=3 301 B9R0.23 COC(=O)C(C)CC(=O)O Z1365493289 [0,2,0,0,0,0|0,0,0]=2 302 B9R0.23 COC(=O)N(C)CC(=O)O Z319610256 [0,2,0,0,0,0|1,0,0]=3 303 B9R0.24 COC(=O)/C=C/C(=O)OC Z49500377 [0,2,0,0,0,0|0,0,2]=4 304 B9R0.24 COC(=O)C#CC(=O)OC Z104473200 [0,2,0,0,0,0|0,0,2]=4 305 B9R0.24 COC(=O)CCC(=O)CN Z3015912776 [0,2,0,0,0,0|1,0,0]=3 306 B9R0.24 COC(=O)CCC(C)OC Z1634338049 [0,2,0,0,0,0|1,0,1]=4 307 B9R0.24 COC(=O)CNC(=O)CCl Z56867315 [0,2,0,0,0,0|2,0,0]=4 308 B9R0.42 C=C(CC(=O)OC)C(=O)O Z1201617378 [0,2,0,0,0,0|0,0,1]=3 309 B9R0.42 C=CC(=O)NC(O)C(=O)O Z1203731084 [0,2,0,0,0,0|2,0,0]=4 310 B9R0.42 CC(NC(=O)CCl)C(=O)O Z235363005 [0,2,0,0,0,0|2,0,0]=4 311 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [0,2,0,0,0,0|1,0,0]=3 312 B9R0.42 CCC(=O)NC(C)C(=O)O Z239130514 [0,2,0,0,0,0|2,0,0]=4 313 B9R0.42 CNC(=O)NC(C)C(=O)O Z223131756 [0,2,0,0,0,0|2,0,0]=4 314 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [0,2,0,0,0,0|0,0,0]=2 315 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [0,2,0,0,0,0|0,0,2]=4 316 B9R0.48 CCCC(=O)NCC(=O)O Z285193236 [0,2,0,0,0,0|2,0,0]=4 317 B9R0.48 CCNC(=O)CCC(=O)O Z90312637 [0,2,0,0,0,0|1,0,0]=3 318 B9R0.48 CCOC(=O)/C=C/C(=O)O Z2315575179 [0,2,0,0,0,0|0,0,2]=4 319 B9R0.48 CCOC(=O)CCC(=O)O Z56896764 [0,2,0,0,0,0|0,0,0]=2 320 B9R0.48 CCOC(=O)CNC(=O)C Z54529208 [0,2,0,0,0,0|2,0,0]=4 321 B9R0.48 CCOC(=O)NCC(=O)O Z64434253 [0,2,0,0,0,0|1,0,0]=3 322 B9R0.48 CN(CCO)CCC(=O)O Z53116523 [0,2,0,0,0,0|2,0,0]=4 323 B9R0.48 NCCC(=O)NCC(=O)O Z1901071297 [0,2,0,0,0,0|2,0,0]=4 324 B9R0.64 CNS(=O)(=O)CCC(=O)O Z351064476 [0,2,0,0,0,0|1,0,1]=4 325 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [0,2,0,0,0,0|1,0,0]=3 326 B9R0.11 CC(=O)NC(C)(C)C(=O)O Z801820486 [0,2,0,0,0,0|2,0,0]=4 327 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [0,2,0,0,0,0|0,0,0]=2 328 B9R0.39 CC(=O)NC(CO)C(=O)O Z239132792 [0,2,0,0,0,0|2,0,0]=4 329 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O Z1143441555 [0,2,0,0,0,0|2,0,0]=4 330 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [0,2,0,0,0,0|0,0,0]=2 331 B9R0.39 CCC(NC(=O)N)C(=O)O Z90663559 [0,2,0,0,0,0|2,0,0]=4 332 B9R0.39 NC(=O)NC(CO)C(=O)O Z57009601 [0,2,0,0,0,0|2,0,0]=4 333 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,2,0,0,0,0|0,0,0]=2 334 B9R0.57 CC(CS(=O)(=O)C)C(=O)O Z732206758 [0,2,0,0,0,0|1,0,1]=4 335 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Z1198149799 [0,2,0,0,0,0|1,0,0]=3 336 B9R0.57 O=C(O)C(O)CS(=O)(=O)O Z1198232967 [0,2,0,0,0,0|1,0,0]=3 337 B9R0.79 C/C(=C(/C)\C(=O)O)/C(=O)O Z2607361494 [0,2,0,0,0,0|0,0,2]=4 338 B9R0.79 CC(C(=O)O)C(C)C(=O)O Z1205493640 [0,2,0,0,0,0|0,0,0]=2 339 B9R0.79 O=C(O)C(O)C(O)C(=O)O Z104473036 [0,2,0,0,0,0|0,0,0]=2 340 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Z1147451575 [0,2,0,0,0,0|0,0,0]=2 341 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Z1147451717 [0,2,0,0,0,0|0,0,0]=2 342 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Z1255431202 [0,2,0,0,0,0|0,0,0]=2 343 B7R1.2 CC1CCC(=O)O1 Z963595138 [1,0,0,1,0,0|1,0,1]=4 344 B7R1.2 NC1=CC(=O)CC1 Z1124125496 [1,0,0,1,0,0|2,0,0]=4 345 B7R1.2 O=C1CCC(=O)N1 Z57127349 [1,0,0,1,0,0|1,0,0]=3 346 B7R1.2 O=C1CCC(=O)O1 Z57127506 [1,0,0,1,0,0|0,0,0]=2 347 B7R1.2 O=C1CNC(=O)N1 Z57131035 [1,0,0,1,0,0|2,0,0]=4 348 B7R1.2 O=C1COC(=O)N1 Z56762271 [1,0,0,1,0,0|2,0,0]=4 349 B7R1.2 O=C1CSC(=O)N1 Z57131032 [1,0,0,1,0,0|2,0,0]=4 350 B7R1.3 O=C1CCCCO1 Z432085120 [1,0,0,1,0,0|1,0,1]=4 351 B7R1.10 C=C1CC(C1)C=O Z1486007751 [1,0,0,1,0,0|2,0,0]=4 352 B7R1.10 C=CC1CC(=O)N1 Z1203730883 [1,0,0,1,0,0|2,0,0]=4 353 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [1,0,0,1,0,0|1,0,1]=4 354 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [1,0,0,1,0,0|1,0,1]=4 355 B7R1.18 O=C(O)C1CCC1 Z104472264 [1,0,0,1,0,0|1,0,1]=4 356 B7R1.18 O=C(O)C1CCN1 Z168878270 [1,0,0,1,0,0|1,0,1]=4 357 B7R1.18 O=C(O)C1CNC1 Z1171217434 [1,0,0,1,0,0|2,0,0]=4 358 B7R1.18 O=C(O)C1CSC1 Z1205495555 [1,0,0,1,0,0|2,0,0]=4 359 B7R1.20 O=C(O)CC1CC1 Z234893653 [1,0,0,1,0,0|1,0,1]=4 360 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [0,0,0,1,0,1|1,0,1]=4 361 B9R1.35 NC(=O)C1CNC(=O)C1 Z57248576 [0,0,0,1,0,1|2,0,0]=4 362 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [0,0,0,1,0,1|1,0,1]=4 363 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [0,0,0,1,0,1|1,0,1]=4 364 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [0,0,0,1,0,1|1,0,1]=4 365 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [0,0,0,1,0,1|1,0,0]=3 366 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [0,0,0,1,0,1|1,0,0]=3 367 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [0,0,0,1,0,1|1,0,0]=3 368 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,0,0,1,0,1|1,0,0]=3 369 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [0,0,0,1,0,1|1,0,0]=3 370 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [0,0,0,1,0,1|0,0,0]=2 371 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [0,0,0,1,0,1|0,1,0]=3 372 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [0,0,0,1,0,1|1,0,0]=3 373 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [0,0,0,1,0,1|1,0,0]=3 374 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [0,0,0,1,0,1|1,0,0]=3 375 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [0,0,0,1,0,1|1,0,0]=3 376 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [0,0,0,1,0,1|1,0,0]=3 377 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [0,0,0,1,0,1|1,0,0]=3 378 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [0,0,0,1,0,1|1,0,0]=3 379 B9R1.35 O=C1NCC(O1)C(=O)O Z1203735066 [0,0,0,1,0,1|0,0,0]=2 380 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [0,0,0,1,0,1|1,0,0]=3 381 B9R1.35 O=C1OCC(O1)C(=O)O Z1889707900 [0,0,0,1,0,1|0,0,0]=2 382 B9R1.49 O=C1CCCC(=O)NC1 Z1255404954 [0,0,0,1,0,1|2,0,0]=4 383 B9R1.53 CC(=O)CC1CC(=O)N1 Z1203732573 [0,0,0,1,0,1|2,0,0]=4 384 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Z1955831192 [0,0,0,1,0,1|1,0,0]=3 385 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [0,0,0,1,0,1|0,0,0]=2 386 B9R1.161 O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-] Z2309898871 [0,0,0,1,0,1|1,0,1]=4 387 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [0,0,0,1,0,1|0,0,0]=2 388 B9R1.69 CC1NC(=O)COC1=O Z1203734682 [0,1,0,1,0,0|2,0,0]=4 389 B9R1.80 COC(=O)CCC1CO1 Z1504689355 [0,1,0,1,0,0|1,0,1]=4 390 B9R1.82 COC(=O)[C@@H]1CC(=O)N1 Z1198222336 [0,1,0,1,0,0|1,0,0]=3 391 B9R1.82 O=C1CC(C1)C(=O)CCl Z4500871483 [0,1,0,1,0,0|2,0,0]=4 392 B9R1.152 C=C1CC(C1)(N)C(=O)O Z4456650800 [0,1,0,1,0,0|2,0,0]=4 393 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [0,1,0,1,0,0|1,0,0]=3 394 B9R1.152 NC1(CC(C1)O)C(=O)O Z1255398009 [0,1,0,1,0,0|1,0,1]=4 395 B9R1.164 CC1(CC(C1)C(=O)O)O Z1205497177 [0,1,0,1,0,0|1,0,1]=4 396 B5R0.5 C=C(Cl)C(=O)O Z1201617183 [0,0,0,0,2,0|2,0,0]=4 397 B5R0.5 CC(=O)C(=O)O Z104495240 [0,0,0,0,2,0|1,0,0]=3 398 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,0,0,0,2,0|0,0,0]=2 399 B9R0.55 CC(=NOCCC(=O)O)C Z1205494264 [0,0,0,0,0,2|2,0,0]=4 400 B9R0.55 NC(=O)CCCCC(=O)O Z429601664 [0,0,0,0,0,2|1,0,0]=3 401 B9R0.55 NC(=O)CSCCC(=O)O Z17834964 [0,0,0,0,0,2|1,0,0]=3 402 B9R0.55 NC(=O)NCCCC(=O)O Z56912008 [0,0,0,0,0,2|1,0,0]=3 403 B9R0.55 O=C(O)CCCCC(=O)O Z57127533 [0,0,0,0,0,2|0,0,0]=2