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[0,0,0,0,0,0|3,0,1]=4 32 B8R0.23 O=C(O)CC(=O)C(=O)O Z271128590 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,0,0,0,0,0|3,0,0]=3 34 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,0,0,0,0,0|3,0,0]=3 35 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,0,0,0,0,0|3,0,0]=3 36 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,0,0,0,0,0|3,0,0]=3 37 B7R0.2 CC(=O)CC(C)C#N Z1258995681 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.2 CC(C#N)NC(=O)N Z756364694 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.2 CCC(C)NC(=O)N Z56979270 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.5 C/C=C/C(O)C(=O)O Z2515207189 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.5 C=CCC(N)C(=O)O Z317024964 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.5 CC(CCN)C(=O)O Z2298167292 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.5 CC(NC=O)C(=O)O Z56757230 [1,0,0,0,0,0|0,0,0]=1 45 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,0,0,0,0,0|1,0,1]=3 46 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.5 CCNC(C)C(=O)O Z3181996310 [1,0,0,0,0,0|0,0,1]=2 50 B7R0.5 CCOC(C)C(=O)O Z316258934 [1,0,0,0,0,0|1,0,1]=3 51 B7R0.5 CNCC(C)C(=O)O Z1270387301 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.5 COCC(C)C(=O)O Z431541094 [1,0,0,0,0,0|2,0,0]=3 53 B7R0.5 COCC(N)C(=O)O Z1613478163 [1,0,0,0,0,0|3,0,0]=4 54 B7R0.5 CSCC(C)C(=O)O Z732206684 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.5 CSCC(N)C(=O)O Z317025996 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.6 CC(=O)CCC(=O)O Z104477318 [1,0,0,0,0,0|1,0,0]=2 57 B7R0.6 CC(=O)NCB(O)O Z1198183387 [1,0,0,0,0,0|1,0,1]=3 58 B7R0.6 CC(=O)NCC(=O)O Z85886676 [1,0,0,0,0,0|0,0,0]=1 59 B7R0.6 CC(=O)NCC(C)O Z353603952 [1,0,0,0,0,0|1,0,1]=3 60 B7R0.6 CC(=O)NNC(=N)S Z89271887 [1,0,0,0,0,0|2,1,0]=4 61 B7R0.6 CC(=O)OCC(=S)N Z411884132 [1,0,0,0,0,0|2,1,0]=4 62 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,0,0,0,0,0|2,0,1]=4 63 B7R0.6 CC(C)NCC(=O)N Z56969693 [1,0,0,0,0,0|2,0,1]=4 64 B7R0.6 CC(C)NCC(=O)O Z359419672 [1,0,0,0,0,0|1,0,1]=3 65 B7R0.6 CC(C)OCC(=O)O Z316259244 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.6 CC(C)SCC(=O)O Z214812600 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.6 CC(N)CCC(=O)O Z1235963367 [1,0,0,0,0,0|2,0,1]=4 68 B7R0.6 CC(O)CCC(=O)O Z838959470 [1,0,0,0,0,0|1,0,2]=4 69 B7R0.6 CN(C)CCC(=O)O Z168912830 [1,0,0,0,0,0|3,0,0]=4 70 B7R0.6 CS(=O)CCC(=O)O Z667974346 [1,0,0,0,0,0|2,0,0]=3 71 B7R0.6 N=C(N)NCC(=O)O Z586248684 [1,0,0,0,0,0|2,0,0]=3 72 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [1,0,0,0,0,0|3,0,0]=4 73 B7R0.6 NC(=O)NCC(=O)O Z57009586 [1,0,0,0,0,0|1,0,0]=2 74 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.6 O=C(O)CCC(=O)O Z57127453 [1,0,0,0,0,0|2,0,0]=3 76 B7R0.6 O=C(O)CN[N+](=O)[O-] Z1198158238 [1,0,0,0,0,0|2,0,0]=3 77 B9R0.11 CC(=O)CC(C)(C)C(=O)O Z1205493714 [0,1,0,0,0,0|1,0,0]=2 78 B9R0.11 CC(=O)NC(C)(C)C(=O)O Z801820486 [0,1,0,0,0,0|0,0,0]=1 79 B9R0.11 CC(C)CC(C)(C)C(=O)O Z995179602 [0,1,0,0,0,0|2,0,1]=4 80 B9R0.11 CC(C)CC(C)(N)C(=O)O Z4767745729 [0,1,0,0,0,0|2,0,1]=4 81 B9R0.11 CC(C)OC(C)(C)C(=O)O Z803494892 [0,1,0,0,0,0|2,0,1]=4 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[0,1,0,0,0,0|1,0,0]=2 98 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,1,0,0,0,0|2,0,0]=3 99 B9R0.42 C=C(CC(=O)OC)C(=O)O Z1201617378 [0,1,0,0,0,0|1,0,2]=4 100 B9R0.42 C=CC(=O)NC(O)C(=O)O Z1203731084 [0,1,0,0,0,0|1,0,1]=3 101 B9R0.42 CC(C)C(C)NC(=O)CCl Z56928920 [0,1,0,0,0,0|2,0,1]=4 102 B9R0.42 CC(NC(=O)CCl)C(=O)O Z235363005 [0,1,0,0,0,0|0,0,0]=1 103 B9R0.42 CCC(=O)CC(N)C(=O)O Z1820077230 [0,1,0,0,0,0|2,0,0]=3 104 B9R0.42 CCC(=O)NC(C)C(=O)O Z239130514 [0,1,0,0,0,0|0,0,0]=1 105 B9R0.42 CNC(=O)CN(C)C(=O)C Z221000320 [0,1,0,0,0,0|3,0,0]=4 106 B9R0.42 CNC(=O)NC(C)C(=O)O Z223131756 [0,1,0,0,0,0|0,0,0]=1 107 B9R0.42 COC(=O)C[C@H](N)C(=O)O Z1079458540 [0,1,0,0,0,0|2,0,0]=3 108 B9R0.57 CC(CC(C)(C)C)C(=O)O Z1198149948 [0,1,0,0,0,0|2,0,1]=4 109 B9R0.57 CC(CC(C)(C)N)C(=O)O Z1742056030 [0,1,0,0,0,0|2,0,1]=4 110 B9R0.57 CC(CS(=O)(=O)C)C(=O)O Z732206758 [0,1,0,0,0,0|2,0,0]=3 111 B9R0.57 CC(NS(=O)(=O)C)C(=O)O Z45674775 [0,1,0,0,0,0|1,0,0]=2 112 B9R0.57 C[C@H](NS(=O)(=O)C)C(=O)O Z115596342 [0,1,0,0,0,0|1,0,0]=2 113 B9R0.79 C/C(=C(/C)\C(=O)O)/C(=O)O Z2607361494 [0,1,0,0,0,0|2,0,1]=4 114 B9R0.79 CC(C(=O)O)C(C)C(=O)O Z1205493640 [0,1,0,0,0,0|2,0,0]=3 115 B9R0.79 O=C(O)C(O)C(O)C(=O)O Z104473036 [0,1,0,0,0,0|3,0,0]=4 116 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Z1147451575 [0,1,0,0,0,0|3,0,0]=4 117 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Z1147451717 [0,1,0,0,0,0|3,0,0]=4 118 B9R0.79 O=C(O)[C@H](S)[C@H](S)C(=O)O Z1255431202 [0,1,0,0,0,0|3,0,0]=4 119 B9R1.35 CC1=NOC(C1)C(=O)O Z1198309057 [0,0,0,1,0,0|3,0,0]=4 120 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [0,0,0,1,0,0|1,0,2]=4 121 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [0,0,0,1,0,0|2,0,1]=4 122 B9R1.35 CC1NC(CS1)C(=O)O Z317026564 [0,0,0,1,0,0|0,1,1]=3 123 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [0,0,0,1,0,0|3,0,0]=4 124 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [0,0,0,1,0,0|1,0,1]=3 125 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [0,0,0,1,0,0|2,0,1]=4 126 B9R1.35 NC(=O)C1CNC(=O)C1 Z57248576 [0,0,0,1,0,0|3,0,0]=4 127 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [0,0,0,1,0,0|2,0,1]=4 128 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [0,0,0,1,0,0|2,0,1]=4 129 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [0,0,0,1,0,0|2,0,0]=3 130 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [0,0,0,1,0,0|2,0,0]=3 131 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [0,0,0,1,0,0|2,0,0]=3 132 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,0,0,1,0,0|1,0,0]=2 133 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [0,0,0,1,0,0|0,0,0]=1 134 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [0,0,0,1,0,0|1,0,0]=2 135 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [0,0,0,1,0,0|1,0,0]=2 136 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [0,0,0,1,0,0|0,0,0]=1 137 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [0,0,0,1,0,0|0,0,0]=1 138 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [0,0,0,1,0,0|2,0,0]=3 139 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [0,0,0,1,0,0|2,0,0]=3 140 B9R1.35 O=C1NC(=CS1)C(=O)O Z1205494720 [0,0,0,1,0,0|1,0,2]=4 141 B9R1.35 O=C1NC(CO1)C(=O)O Z1201627960 [0,0,0,1,0,0|1,0,0]=2 142 B9R1.35 O=C1NC(CS1)C(=O)O Z199409846 [0,0,0,1,0,0|1,0,0]=2 143 B9R1.35 O=C1NC=C(N1)C(=O)O Z56921827 [0,0,0,1,0,0|1,0,2]=4 144 B9R1.35 O=C1NCC(N1)C(=O)O Z1162470818 [0,0,0,1,0,0|1,0,0]=2 145 B9R1.35 O=C1NCC(O1)C(=O)O Z1203735066 [0,0,0,1,0,0|2,0,0]=3 146 B9R1.35 O=C1N[C@@H](CS1)C(=O)O Z203038562 [0,0,0,1,0,0|1,0,0]=2 147 B9R1.35 O=C1OCC(O1)C(=O)O Z1889707900 [0,0,0,1,0,0|2,0,0]=3 148 B9R1.69 CC1NC(=O)CCC1N Z1509112048 [0,0,0,1,0,0|2,0,1]=4 149 B9R1.69 CC1NC(=O)COC1=O Z1203734682 [0,0,0,1,0,0|0,0,0]=1 150 B9R1.152 C=C1CC(C1)(N)C(=O)O Z4456650800 [0,0,0,1,0,0|3,0,0]=4 151 B9R1.152 CC1(CC(C1)F)C(=O)O Z3211847948 [0,0,0,1,0,0|2,0,1]=4 152 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [0,0,0,1,0,0|2,0,0]=3 153 B9R1.161 CC(C)C1CC1C(=O)O Z975823938 [0,0,0,1,0,0|2,0,1]=4 154 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Z1955831192 [0,0,0,1,0,0|2,0,0]=3 155 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O Z1198723936 [0,0,0,1,0,0|2,0,0]=3 156 B9R1.161 O=C(O)[C@@H]1C[C@H]1[N+](=O)[O-] Z2309898871 [0,0,0,1,0,0|3,0,0]=4 157 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O Z1955918485 [0,0,0,1,0,0|2,0,0]=3 158 B9R1.164 CC1(CC(C1)C(=O)O)C Z1198158394 [0,0,0,1,0,0|2,0,1]=4 159 B9R1.164 CC1(CC(C1)C(=O)O)O Z1205497177 [0,0,0,1,0,0|1,0,2]=4 160 B7R0.16 CC(=C(F)C(=O)O)C Z1205494362 [0,0,0,0,1,0|2,0,1]=4 161 B7R0.16 CC(=C(F)F)C(=O)O Z1205497572 [0,0,0,0,1,0|2,0,1]=4 162 B7R0.16 CC(=O)C(C)C(=O)C Z56943775 [0,0,0,0,1,0|1,0,0]=2 163 B7R0.16 CC(=O)C(N)C(=O)C Z360059858 [0,0,0,0,1,0|2,0,0]=3 164 B7R0.16 CC(C(=O)N)C(=O)N Z1203578231 [0,0,0,0,1,0|2,0,0]=3 165 B7R0.16 CC(C(=O)N)N(C)C Z4968292210 [0,0,0,0,1,0|3,0,0]=4 166 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [0,0,0,0,1,0|1,0,0]=2 167 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,0,0,0,1,0|2,0,1]=4 168 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,0,0,0,1,0|1,0,1]=3 169 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,0,0,0,1,0|2,0,1]=4 170 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,0,0,0,1,0|2,0,1]=4 171 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,0,0,0,1,0|2,0,1]=4 172 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,0,0,0,1,0|2,0,1]=4 173 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,0,0,0,1,0|2,0,1]=4 174 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,0,0,0,1,0|1,0,1]=3 175 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,0,0,0,1,0|0,0,2]=3 176 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [0,0,0,0,1,0|2,0,0]=3 177 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,0,0,0,1,0|1,0,2]=4 178 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,0,0,0,1,0|1,0,2]=4 179 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [0,0,0,0,1,0|2,0,0]=3 180 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,0,0,0,1,0|1,0,2]=4 181 B7R0.16 NC(=O)C(N)C(=O)N Z235333079 [0,0,0,0,1,0|3,0,0]=4 182 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [0,0,0,0,1,0|2,0,0]=3 183 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,0,0,0,0,1|3,0,0]=4 184 B9R0.7 CC(=O)CCC(N)C(=O)O Z1436472892 [0,0,0,0,0,1|2,0,0]=3 185 B9R0.7 CC(C)COC(C)C(=O)O Z316259214 [0,0,0,0,0,1|2,0,1]=4 186 B9R0.7 CC(CCN(C)C)C(=O)O Z2754060676 [0,0,0,0,0,1|3,0,0]=4 187 B9R0.7 CS(=O)CC[C@H](N)C(=O)O Z1198149738 [0,0,0,0,0,1|3,0,0]=4 188 B9R0.7 NC(=O)CCC(N)C(=O)O Z104497332 [0,0,0,0,0,1|3,0,0]=4 189 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O Z1203578189 [0,0,0,0,0,1|3,0,0]=4 190 B9R0.7 NC(=O)CC[C@H](N)C(=O)O Z756440074 [0,0,0,0,0,1|3,0,0]=4 191 B9R0.7 NC(CCC(=O)O)C(=O)O Z57127545 [0,0,0,0,0,1|3,0,0]=4 192 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O Z756440052 [0,0,0,0,0,1|3,0,0]=4 193 B9R0.7 N[C@H](CCC(=O)O)C(=O)O Z1741982700 [0,0,0,0,0,1|3,0,0]=4 194 B9R0.53 C/C(=C\C(=O)O)/CC(=O)O Z1198157053 [0,0,0,0,0,1|2,0,1]=4 195 B9R0.53 CC(C)CC(C)CC(=O)O Z352782544 [0,0,0,0,0,1|2,0,1]=4 196 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [0,0,0,0,0,1|2,0,0]=3 197 B9R0.53 CC(CC(=O)O)CN(C)C Z2824350104 [0,0,0,0,0,1|3,0,0]=4 198 B9R0.53 CC(CC(=O)O)NC(=O)N Z398943198 [0,0,0,0,0,1|1,0,0]=2 199 B9R0.53 CN(CC(=O)O)CC(=O)O Z119894774 [0,0,0,0,0,1|3,0,0]=4 200 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [0,0,0,0,0,1|3,0,0]=4 201 B6R0.2 CC(=O)CC(C)N Z57329385 [2,0,0,0,0,0|2,0,0]=4 202 B6R0.2 CC(=O)NC(=O)N Z104476284 [2,0,0,0,0,0|1,0,1]=4 203 B6R0.2 CC(C)NC(=O)N Z56887677 [2,0,0,0,0,0|1,0,1]=4 204 B6R0.4 C#CCNC(=O)C Z220957448 [2,0,0,0,0,0|1,0,1]=4 205 B6R0.4 C=CCCC(=O)C Z406376894 [2,0,0,0,0,0|2,0,0]=4 206 B6R0.4 C=CCCC(=O)O Z995028722 [2,0,0,0,0,0|1,0,1]=4 207 B6R0.4 C=CCNC(=O)C Z32064466 [2,0,0,0,0,0|1,0,0]=3 208 B6R0.4 C=CCNC(=O)N Z56904662 [2,0,0,0,0,0|2,0,0]=4 209 B6R0.4 CC(=O)NCCCl Z57983106 [2,0,0,0,0,0|1,0,1]=4 210 B6R0.4 CCCCC(=O)O Z104473312 [2,0,0,0,0,0|1,0,1]=4 211 B6R0.4 CCCNC(=O)C Z33030314 [2,0,0,0,0,0|1,0,1]=4 212 B6R0.4 CCNCC(=O)N Z1459435506 [2,0,0,0,0,0|1,0,1]=4 213 B6R0.4 CCNCC(=O)O Z744593094 [2,0,0,0,0,0|0,0,1]=3 214 B6R0.4 CCOCC(=O)O Z104495232 [2,0,0,0,0,0|1,0,1]=4 215 B6R0.4 COCCC(=O)O Z285184634 [2,0,0,0,0,0|2,0,0]=4 216 B6R0.4 CSCCC(=O)O Z54719251 [2,0,0,0,0,0|2,0,0]=4 217 B6R0.3 C=CC(N)C(=O)O Z3244810526 [2,0,0,0,0,0|1,0,1]=4 218 B6R0.3 CC(C#N)C(=O)O Z852759720 [2,0,0,0,0,0|1,0,1]=4 219 B6R0.3 CC(CN)C(=O)O Z431542704 [2,0,0,0,0,0|1,0,1]=4 220 B6R0.3 CC(CO)C(=O)O Z431541400 [2,0,0,0,0,0|0,0,2]=4 221 B6R0.3 CCC(C)C(=O)N Z270978420 [2,0,0,0,0,0|1,0,1]=4 222 B6R0.3 CCC(C)C(=O)O Z237374874 [2,0,0,0,0,0|0,0,1]=3 223 B6R0.3 CCC(N)C(=O)O Z104495144 [2,0,0,0,0,0|1,0,1]=4 224 B6R0.3 CCC(O)C(=O)O Z246073650 [2,0,0,0,0,0|1,0,1]=4 225 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [2,0,0,0,0,0|1,0,1]=4 226 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [2,0,0,0,0,0|0,0,1]=3 227 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [2,0,0,0,0,0|1,0,1]=4 228 B6R0.3 CNC(C)C(=O)O Z1278590830 [2,0,0,0,0,0|0,0,0]=2 229 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [2,0,0,0,0,0|1,0,0]=3 230 B6R0.3 COC(C)C(=O)C Z447898138 [2,0,0,0,0,0|2,0,0]=4 231 B6R0.3 COC(C)C(=O)N Z223645218 [2,0,0,0,0,0|2,0,0]=4 232 B6R0.3 COC(C)C(=O)O Z316258898 [2,0,0,0,0,0|1,0,0]=3 233 B6R0.3 CSC(C)C(=O)O Z149191750 [2,0,0,0,0,0|1,0,0]=3 234 B8R0.5 COCC(C)NC(=O)N Z56989549 [1,1,0,0,0,0|1,0,1]=4 235 B8R0.16 CC(=O)NC(CO)CO Z1203731713 [1,1,0,0,0,0|0,0,1]=3 236 B8R0.19 CCC(C)NC(=O)CCl Z56853748 [1,1,0,0,0,0|1,0,1]=4 237 B8R0.34 C#CC(C)(C)NC(=O)C Z1187696572 [1,1,0,0,0,0|1,0,1]=4 238 B8R0.34 CC(=O)NC(C)(C)C#N Z212046252 [1,1,0,0,0,0|1,0,1]=4 239 B8R0.34 CC(=O)NC(C)(C)CO Z68299519 [1,1,0,0,0,0|0,0,1]=3 240 B8R0.3 CCNC(C)C(=O)NC Z2753753273 [1,1,0,0,0,0|1,0,1]=4 241 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [1,1,0,0,0,0|2,0,0]=4 242 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [1,1,0,0,0,0|1,0,1]=4 243 B8R0.8 CCCCC(C)C(=O)O Z756390480 [1,1,0,0,0,0|1,0,1]=4 244 B8R0.8 CCOCC(C)C(=O)O Z431541098 [1,1,0,0,0,0|1,0,1]=4 245 B8R0.8 COCCC(C)C(=O)O Z756390554 [1,1,0,0,0,0|1,0,1]=4 246 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [1,1,0,0,0,0|1,0,1]=4 247 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [1,1,0,0,0,0|1,0,1]=4 248 B8R0.12 CCNC(C)(C)C(=O)O Z1259161934 [1,1,0,0,0,0|0,0,1]=3 249 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [1,1,0,0,0,0|2,0,0]=4 250 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [1,1,0,0,0,0|2,0,0]=4 251 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [1,1,0,0,0,0|2,0,0]=4 252 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [1,1,0,0,0,0|2,0,0]=4 253 B8R0.15 CCCC(CC)C(=O)O Z756391368 [1,1,0,0,0,0|1,0,1]=4 254 B8R0.15 CCCC(CN)C(=O)O Z970060188 [1,1,0,0,0,0|1,0,1]=4 255 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [1,1,0,0,0,0|1,0,1]=4 256 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [1,1,0,0,0,0|0,0,1]=3 257 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [1,1,0,0,0,0|0,0,1]=3 258 B8R0.15 CCOC(CC)C(=O)O Z449367060 [1,1,0,0,0,0|1,0,1]=4 259 B8R0.15 CNC(COC)C(=O)O Z1250132318 [1,1,0,0,0,0|2,0,0]=4 260 B8R0.9 CC(=O)NNC(=O)CCl Z56347435 [1,1,0,0,0,0|2,0,0]=4 261 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [1,1,0,0,0,0|1,0,0]=3 262 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [1,1,0,0,0,0|0,0,0]=2 263 B8R0.9 CCC(C)NCC(=O)O Z425484950 [1,1,0,0,0,0|1,0,1]=4 264 B8R0.9 CNC(=O)CCC(=O)O Z429593572 [1,1,0,0,0,0|1,0,0]=3 265 B8R0.9 CNC(=O)CNC(=O)C Z32016377 [1,1,0,0,0,0|1,0,0]=3 266 B8R0.9 CNC(=O)NCC(=O)O Z223126780 [1,1,0,0,0,0|0,0,0]=2 267 B8R0.9 COC(=O)/C=C/C(=O)O Z2315585555 [1,1,0,0,0,0|1,0,1]=4 268 B8R0.9 COC(=O)CCC(=O)O Z57663583 [1,1,0,0,0,0|1,0,0]=3 269 B8R0.9 COC(=O)NCC(=O)O Z111492620 [1,1,0,0,0,0|0,0,0]=2 270 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [1,1,0,0,0,0|1,0,0]=3 271 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [1,1,0,0,0,0|0,0,0]=2 272 B8R0.29 CS(=O)(=O)CCC(=O)O Z295403530 [1,1,0,0,0,0|2,0,0]=4 273 B8R0.29 CS(=O)(=O)NCC(=O)[O-] Z336481574 [1,1,0,0,0,0|1,0,1]=4 274 B8R0.29 NS(=O)(=O)NCC(=O)O Z295879318 [1,1,0,0,0,0|2,0,0]=4 275 B8R0.18 CC(C)C(CN)C(=O)O Z1259162105 [0,1,0,0,1,0|1,0,1]=4 276 B8R0.18 CC(C)C(CO)C(=O)O Z1205494781 [0,1,0,0,1,0|1,0,1]=4 277 B8R0.18 CCC(C(=O)C)C(=O)C Z119984130 [0,1,0,0,1,0|1,0,0]=3 278 B8R0.18 CCC(C(=O)O)N(C)C Z1431904010 [0,1,0,0,1,0|2,0,0]=4 279 B8R0.18 CSC(C(=O)O)C(C)C Z732206602 [0,1,0,0,1,0|1,0,1]=4 280 B8R0.27 CC(C(=O)O)C(C)(C)C Z792377250 [0,1,0,0,1,0|1,0,1]=4 281 B8R0.27 CC(C(=O)O)C(C)(F)F Z2216264420 [0,1,0,0,1,0|1,0,1]=4 282 B8R0.27 CC(C(=O)O)S(=O)(=O)C Z295403352 [0,1,0,0,1,0|1,0,0]=3 283 B8R0.27 CC(C(=O)O)S(=O)(=O)O Z1262510815 [0,1,0,0,1,0|2,0,0]=4 284 B8R0.27 CP(=O)(C)C(O)C(=O)O Z1262512998 [0,1,0,0,1,0|2,0,0]=4 285 B8R0.37 CC(C)(C(=O)N)C(=O)O Z1198174895 [0,1,0,0,1,0|1,0,0]=3 286 B8R0.37 CC(C)C(C)(C)C(=O)O Z1198160164 [0,1,0,0,1,0|1,0,1]=4 287 B8R0.37 CC(C)C(C)(O)C(=O)O Z991569008 [0,1,0,0,1,0|1,0,1]=4 288 B8R0.37 CC(N)(C(=O)O)C(=O)O Z4968335428 [0,1,0,0,1,0|1,0,0]=3 289 B8R0.37 CC(O)C(C)(N)C(=O)O Z2768110660 [0,1,0,0,1,0|0,0,2]=4 290 B8R0.37 CC(O)C(C)(O)C(=O)O Z1205494313 [0,1,0,0,1,0|0,0,2]=4 291 B8R0.37 CN(C)C(C)(C)C(=O)O Z1431002715 [0,1,0,0,1,0|2,0,0]=4 292 B10R0.43 CC(=O)CCC(C)(C)C(=O)O Z1255406328 [0,1,0,0,0,1|1,0,0]=3 293 B10R0.43 CC(C)(CCC(=O)O)C(=O)O Z1255464958 [0,1,0,0,0,1|2,0,0]=4 294 B10R0.43 CC(C)(SCC(=O)O)C(=O)O Z1251354570 [0,1,0,0,0,1|2,0,0]=4 295 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O Z1198152810 [0,1,0,0,0,1|2,0,0]=4 296 B10R0.82 COC(=O)CC[C@H](N)C(=O)O Z1741982704 [0,1,0,0,0,1|2,0,0]=4 297 B10R0.93 CC(C)C(=O)NC(C)C(=O)O Z85890230 [0,1,0,0,0,1|1,0,1]=4 298 B10R0.93 CC(CC(C)C(=O)O)C(=O)O Z1255485193 [0,1,0,0,0,1|2,0,0]=4 299 B10R0.93 CC(NC(=O)C(=O)O)C(=O)O Z1262543836 [0,1,0,0,0,1|1,0,0]=3 300 B10R0.93 C[C@@H](N)C(=O)N[C@H](C)C(=O)O Z829938994 [0,1,0,0,0,1|1,0,1]=4 301 B10R0.165 CC(C)(CC(=O)O)CC(=O)O Z104510054 [0,1,0,0,0,1|2,0,0]=4 302 B10R0.47 COC(=O)CC(C)(C)C(=O)O Z1255393158 [0,2,0,0,0,0|1,0,0]=3 303 B10R0.47 COC(=O)NC(C)(C)C(=O)O Z801822452 [0,2,0,0,0,0|0,0,0]=2 304 B10R0.119 CC(CN)(CC(=O)O)C(=O)O Z1262524919 [0,2,0,0,0,0|2,0,0]=4 305 B10R0.141 COC(=O)C(C)(C)CC(=O)O Z1198342215 [0,2,0,0,0,0|2,0,0]=4 306 B10R0.37 COC(=O)C(C)NS(=O)(=O)C Z56150739 [0,2,0,0,0,0|1,0,0]=3 307 B10R0.37 COC(=O)[C@H](C)NS(=O)(=O)C Z133653676 [0,2,0,0,0,0|1,0,0]=3 308 B10R0.23 C=CCC(NC(=O)C)C(=O)O Z432087554 [0,2,0,0,0,0|0,0,0]=2 309 B10R0.23 CCCC(NC(=O)C)C(=O)O Z444320916 [0,2,0,0,0,0|0,0,0]=2 310 B10R0.23 CCCC(NC(=O)N)C(=O)O Z444323704 [0,2,0,0,0,0|1,0,0]=3 311 B10R0.23 CCCC(NC(C)C)C(=O)O Z1665263806 [0,2,0,0,0,0|1,0,1]=4 312 B10R0.23 CCC[C@@H](NC(=O)N)C(=O)O Z1262552685 [0,2,0,0,0,0|1,0,0]=3 313 B10R0.95 CS(=O)(=O)N[C@@H](CO)C(=O)O Z756471904 [0,2,0,0,0,0|1,0,0]=3 314 B10R0.162 CC(=O)NC(C(=O)O)C(C)C Z56346999 [0,2,0,0,0,0|0,0,0]=2 315 B10R0.162 CC(=O)N[C@H](C(=O)O)C(C)C Z57032483 [0,2,0,0,0,0|0,0,0]=2 316 B10R0.162 CC(C)C(NC(=O)N)C(=O)O Z56862686 [0,2,0,0,0,0|1,0,0]=3 317 B10R0.162 CC(C)NC(C(=O)O)C(C)C Z449368982 [0,2,0,0,0,0|1,0,1]=4 318 B10R0.162 CN(C)[C@H](CC(=O)O)C(=O)O Z1262526606 [0,2,0,0,0,0|2,0,0]=4 319 B10R0.26 COCC(=O)NC(C)C(=O)O Z85890361 [0,2,0,0,0,0|0,0,0]=2 320 B10R0.67 CCS(=O)(=O)NC(C)C(=O)O Z53825283 [0,2,0,0,0,0|1,0,0]=3 321 B10R0.72 CCC(CO)NC(C)C(=O)O Z852758198 [0,2,0,0,0,0|0,0,2]=4 322 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [1,0,0,1,0,0|1,0,1]=4 323 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [1,0,0,1,0,0|1,0,1]=4 324 B8R1.1 O=C1CCC(N1)CO Z235344363 [1,0,0,1,0,0|0,0,1]=3 325 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [1,0,0,1,0,0|0,0,1]=3 326 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [1,0,0,1,0,0|1,0,1]=4 327 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [1,0,0,1,0,0|1,0,1]=4 328 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [1,0,0,1,0,0|1,0,1]=4 329 B8R1.18 CC1CC(=O)NC1=O Z729209272 [1,0,0,1,0,0|2,0,0]=4 330 B8R1.18 CC1CC(=O)NC1C Z1203733092 [1,0,0,1,0,0|1,0,1]=4 331 B8R1.18 CC1NC(=O)NC1=O Z56862247 [1,0,0,1,0,0|1,0,0]=3 332 B8R1.18 CN1NC(=N)CC1=O Z1197987885 [1,0,0,1,0,0|2,0,0]=4 333 B8R1.18 CN1NC(=O)NC1=O Z1262691921 [1,0,0,1,0,0|2,0,0]=4 334 B8R1.34 CC(=O)NC1CNC1 Z1198175578 [1,0,0,1,0,0|1,0,1]=4 335 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [1,0,0,1,0,0|2,0,0]=4 336 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [1,0,0,1,0,0|2,0,0]=4 337 B8R1.62 CC1(CC(=O)N1)CCl Z1205659152 [1,0,0,1,0,0|1,0,1]=4 338 B8R1.62 CC1(CC(=O)N1)CN Z2697159297 [1,0,0,1,0,0|1,0,1]=4 339 B8R1.5 CC1NCCNC1=O Z336079670 [1,0,0,1,0,0|1,0,1]=4 340 B8R1.7 NC(=O)C1CCCN1 Z56945990 [1,0,0,1,0,0|1,0,1]=4 341 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [1,0,0,1,0,0|2,0,0]=4 342 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [1,0,0,1,0,0|1,0,1]=4 343 B8R1.7 O=C(O)C1CCCC1 Z104476116 [1,0,0,1,0,0|1,0,1]=4 344 B8R1.7 O=C(O)C1CCCN1 Z104476886 [1,0,0,1,0,0|0,0,1]=3 345 B8R1.7 O=C(O)C1CCCO1 Z104486102 [1,0,0,1,0,0|1,0,1]=4 346 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [1,0,0,1,0,0|1,0,1]=4 347 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [1,0,0,1,0,0|2,0,0]=4 348 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [1,0,0,1,0,0|2,0,0]=4 349 B8R1.7 O=C(O)C1CCOC1 Z381356480 [1,0,0,1,0,0|2,0,0]=4 350 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [1,0,0,1,0,0|2,0,0]=4 351 B8R1.7 O=C(O)C1CSCN1 Z104495996 [1,0,0,1,0,0|0,1,1]=4 352 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [1,0,0,1,0,0|1,0,1]=4 353 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [1,0,0,1,0,0|0,0,1]=3 354 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [1,0,0,1,0,0|0,1,1]=4 355 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [1,0,0,1,0,0|0,0,1]=3 356 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [1,0,0,1,0,0|0,1,1]=4 357 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [1,0,0,1,0,0|1,0,1]=4 358 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [1,0,0,1,0,0|2,0,0]=4 359 B8R1.23 NC(=O)C1CC(=O)C1 Z1486002682 [1,0,0,1,0,0|2,0,0]=4 360 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [1,0,0,1,0,0|1,0,0]=3 361 B8R1.54 CC(C(=O)O)C1CC1 Z792377292 [1,0,0,1,0,0|1,0,1]=4 362 B8R1.78 CC1(CCC1)C(=O)O Z1205493900 [1,0,0,1,0,0|1,0,1]=4 363 B8R1.78 CC1(CNC1)C(=O)O Z3071128920 [1,0,0,1,0,0|2,0,0]=4 364 B8R1.78 CC1(COC1)C(=O)O Z1198234535 [1,0,0,1,0,0|2,0,0]=4 365 B8R1.3 O=C1CCC(=O)CC1 Z877626718 [1,0,0,1,0,0|2,0,0]=4 366 B8R1.3 O=C1CCC(=O)NC1 Z1198221828 [1,0,0,1,0,0|1,0,0]=3 367 B8R1.3 O=C1CNC(=O)CN1 Z56854487 [1,0,0,1,0,0|1,0,0]=3 368 B8R1.3 O=C1COC(=O)CO1 Z1201618919 [1,0,0,1,0,0|1,0,0]=3 369 B8R1.35 O=C(O)CNC1CC1 Z432066928 [1,0,0,1,0,0|1,0,1]=4 370 B8R1.50 CC1C(=O)CCC1=O Z104503660 [0,0,0,1,1,0|1,0,0]=3 371 B8R1.50 CN1C(=O)CNC1=O Z54599682 [0,0,0,1,1,0|2,0,0]=4 372 B8R1.50 CN1C(=O)COC1=O Z1618025816 [0,0,0,1,1,0|1,0,0]=3 373 B10R1.13 C=C1CCC(CC1)C(=O)O Z1205495278 [0,0,0,1,0,1|2,0,0]=4 374 B10R1.13 CC1=CCC(CC1)C(=O)O Z1205493665 [0,0,0,1,0,1|2,0,0]=4 375 B10R1.13 CC1CCC(CN1)C(=O)O Z3211705986 [0,0,0,1,0,1|1,0,1]=4 376 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [0,0,0,1,0,1|1,0,1]=4 377 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O Z3064248894 [0,0,0,1,0,1|1,0,1]=4 378 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [0,0,0,1,0,1|1,0,1]=4 379 B10R1.13 C[C@@H]1CN[C@@H](CO1)C(=O)O Z2311241423 [0,0,0,1,0,1|0,0,2]=4 380 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O Z2311241416 [0,0,0,1,0,1|0,0,2]=4 381 B10R1.13 NC(=O)C1CCC(=O)NC1 Z458890528 [0,0,0,1,0,1|1,0,0]=3 382 B10R1.13 NC(=O)C1CNC(=O)CN1 Z3282082973 [0,0,0,1,0,1|2,0,0]=4 383 B10R1.13 NC1=NCC(CC1)C(=O)O Z2378836818 [0,0,0,1,0,1|1,0,1]=4 384 B10R1.13 NC1=NCC(CN1)C(=O)O Z2379964091 [0,0,0,1,0,1|2,0,0]=4 385 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [0,0,0,1,0,1|0,0,2]=4 386 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)F Z3600401699 [0,0,0,1,0,1|1,0,1]=4 387 B10R1.13 O=C1CCC(=NN1)C(=O)O Z56871458 [0,0,0,1,0,1|0,0,1]=3 388 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [0,0,0,1,0,1|1,0,0]=3 389 B10R1.13 O=C1CCC(CN1)C(=O)O Z317054072 [0,0,0,1,0,1|0,0,0]=2 390 B10R1.13 O=C1CNC(CN1)C(=O)O Z1198278656 [0,0,0,1,0,1|1,0,0]=3 391 B10R1.81 CC1CN(C1)C(C)C(=O)O Z4927164198 [0,0,0,1,0,1|1,0,1]=4 392 B10R1.349 NC(=O)N1CC(C1)C(=O)O Z1217191917 [0,0,0,1,0,1|1,0,0]=3 393 B10R1.359 CC1(CC(CN1)C(=O)O)C Z4238522538 [0,0,0,1,0,1|1,0,1]=4 394 B10R1.359 CC1(CNC(C1)C(=O)O)C Z3247793866 [0,0,0,1,0,1|1,0,1]=4 395 B10R1.470 CC1(CNC(=O)C1)C(=O)O Z1642347436 [0,0,0,1,0,1|0,0,0]=2 396 B10R1.470 CC1=NOC(C1)(C)C(=O)O Z1198309644 [0,0,0,1,0,1|1,0,1]=4 397 B10R1.470 C[C@@]1(CCC(=O)N1)C(=O)O Z2740745597 [0,0,0,1,0,1|2,0,0]=4 398 B10R1.54 CC(=O)CC1CCC(=O)N1 Z1416183404 [0,0,0,1,0,1|1,0,0]=3 399 B10R1.54 O=C(O)CC1CNC(=O)C1 Z1203747646 [0,0,0,1,0,1|2,0,0]=4 400 B10R1.54 O=C(O)CC1COC(=O)C1 Z1205494290 [0,0,0,1,0,1|2,0,0]=4 401 B10R1.59 CC1=CC(=C(N1)C)C(=O)O Z239549280 [0,0,0,1,0,1|1,0,1]=4 402 B10R1.59 CC1=NC(=C(N1)C)C(=O)O Z2230911407 [0,0,0,1,0,1|1,0,1]=4 403 B10R1.59 CC1CC(=O)NC1C(=O)O Z1198179510 [0,0,0,1,0,1|2,0,0]=4 404 B10R1.59 CC1OC(=O)NC1C(=O)O Z1203735062 [0,0,0,1,0,1|2,0,0]=4 405 B10R1.282 CC1[C@@H]([C@H]1C(=O)O)C(=O)O Z2311222768 [0,0,0,1,0,1|2,0,0]=4 406 B10R1.442 CC(=O)CC1(CC1)C(=O)O Z2732453061 [0,1,0,1,0,0|1,0,0]=3 407 B10R1.442 CC(=O)NC1(CC1)C(=O)O Z1205494618 [0,1,0,1,0,0|0,0,0]=2 408 B10R1.442 CC(C)NC1(CC1)C(=O)O Z4570268872 [0,1,0,1,0,0|1,0,1]=4 409 B10R1.442 NC(=O)NC1(CC1)C(=O)O Z1203590286 [0,1,0,1,0,0|1,0,0]=3 410 B10R1.14 COC(=O)C1CC(=O)CS1 Z1216812477 [0,1,0,1,0,0|2,0,0]=4 411 B10R1.14 COC(=O)C1CCC(=O)N1 Z104509614 [0,1,0,1,0,0|0,0,0]=2 412 B10R1.14 COC(=O)C1CNC(=O)C1 Z839052972 [0,1,0,1,0,0|2,0,0]=4 413 B10R1.14 COC(=O)C1CNC(=O)N1 Z1179764312 [0,1,0,1,0,0|1,0,0]=3 414 B10R1.14 COC(=O)C1CNC(=O)O1 Z1203733132 [0,1,0,1,0,0|2,0,0]=4 415 B10R1.64 CC(=O)NC1CCSC1=O Z995084668 [0,1,0,1,0,0|0,1,0]=3 416 B10R1.194 CN1C(=O)CCC1C(=O)O Z1021465860 [0,1,0,1,0,0|0,0,0]=2 417 B10R1.194 CN1C(=O)NCC1C(=O)O Z1203832384 [0,1,0,1,0,0|1,0,0]=3 418 B10R1.194 CN1C(=O)NC[C@H]1C(=O)O Z1504684863 [0,1,0,1,0,0|1,0,0]=3 419 B10R1.194 CN1C(=O)OCC1C(=O)O Z1813205659 [0,1,0,1,0,0|1,0,0]=3 420 B10R1.408 COC(=O)C1CC1C(=O)C Z1255492858 [0,1,0,1,0,0|1,0,0]=3 421 B10R1.408 COC(=O)C1CC1C(=O)O Z1065630378 [0,1,0,1,0,0|1,0,0]=3 422 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [0,1,0,1,0,0|0,0,2]=4 423 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,1,0,1,0,0|1,0,1]=4 424 B10R1.113 O=C1CC(CCN1)C(=O)O Z1203735095 [0,1,0,1,0,0|1,0,0]=3 425 B10R1.113 O=C1CCC[C@@H](N1)C(=O)O Z1198182319 [0,1,0,1,0,0|0,0,0]=2 426 B10R1.113 O=C1CSCC(N1)C(=O)O Z359515788 [0,1,0,1,0,0|0,0,0]=2 427 B10R1.113 O=C1NC(CCO1)C(=O)O Z1509031012 [0,1,0,1,0,0|0,0,0]=2 428 B10R1.361 NC(=O)C1CCC1C(=O)O Z1203638038 [0,1,0,1,0,0|2,0,0]=4 429 B10R1.361 O=C(O)[C@@H]1CC[C@H]1C(=O)O Z2306736599 [0,1,0,1,0,0|2,0,0]=4 430 B10R1.31 C#C[C@H]1CC[C@H](N1)C(=O)O Z5870110869 [0,1,0,1,0,0|1,0,1]=4 431 B10R1.31 CCC1CCC(N1)C(=O)O Z2417581629 [0,1,0,1,0,0|1,0,1]=4 432 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 Z440824358 [0,0,0,2,0,0|1,0,1]=4 433 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [1,0,0,0,0,1|2,0,0]=4 434 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [1,0,0,0,0,1|1,0,0]=3 435 B8R0.28 CC(=O)CSCC(=O)[O-] Z1359429555 [1,0,0,0,0,1|1,0,1]=4 436 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [1,0,0,0,0,1|0,0,0]=2 437 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [1,0,0,0,0,1|1,0,0]=3 438 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [1,0,0,0,0,1|1,0,1]=4 439 B8R0.28 CC(C)NCCC(=O)O Z235348215 [1,0,0,0,0,1|1,0,1]=4 440 B8R0.28 N=C(N)NCCC(=O)O Z959165114 [1,0,0,0,0,1|2,0,0]=4 441 B8R0.28 NC(=O)CCCC(=O)O Z336080698 [1,0,0,0,0,1|2,0,0]=4 442 B8R0.28 NC(=O)CNCC(=O)N Z162774608 [1,0,0,0,0,1|2,0,0]=4 443 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [1,0,0,0,0,1|1,0,0]=3 444 B8R0.28 NC(=O)CSCC(=O)O Z19691778 [1,0,0,0,0,1|2,0,0]=4 445 B8R0.28 NC(=O)NCCC(=O)O Z56347556 [1,0,0,0,0,1|1,0,0]=3 446 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [1,0,0,0,0,1|2,0,0]=4 447 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [1,0,0,0,0,1|1,0,0]=3 448 B8R0.28 O=C(O)COCC(=O)O Z57965384 [1,0,0,0,0,1|2,0,0]=4 449 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [1,0,0,0,0,1|2,0,0]=4 450 B10R0.96 CC(CCC(=O)O)CC(=O)O Z104477714 [0,0,0,0,0,2|2,0,0]=4