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[1,0,1,0,0,0|2,0,0]=4 48 B7R0.2 CC(C)CC(N)CO Z734151210 [1,0,1,0,0,0|1,0,0]=3 49 B7R0.2 CC(O)CC(C)CN Z1245536559 [1,0,1,0,0,0|2,0,0]=4 50 B7R0.2 CN(C)CC(N)CO Z2092369044 [1,0,1,0,0,0|2,0,0]=4 51 B7R0.5 CC(C)C(N)CCO Z979743766 [1,0,1,0,0,0|2,0,0]=4 52 B7R0.5 CC(C)C(O)CCN Z1203588096 [1,0,1,0,0,0|2,0,0]=4 53 B7R0.5 CC(C)C(O)CCO Z1532770488 [1,0,1,0,0,0|1,0,0]=3 54 B7R0.10 CCC(C)C(N)CO Z1255523308 [1,0,1,0,0,0|1,0,0]=3 55 B7R0.10 CCC(C)C(O)CC Z1138194601 [1,0,1,0,0,0|2,0,0]=4 56 B7R0.10 CCC(C)C(O)CN Z802901690 [1,0,1,0,0,0|1,0,0]=3 57 B7R0.10 OC[C@H](O)[C@H](O)CO Z1203161930 [1,0,1,0,0,0|1,0,0]=3 58 B7R0.16 CC(C)C(O)C(C)N Z975823338 [1,0,1,0,0,0|1,0,0]=3 59 B7R0.16 CC(O)C(O)C(C)O Z1896181589 [1,0,1,0,0,0|1,0,0]=3 60 B7R0.3 CC(CN)CCCO Z2234185702 [1,0,1,0,0,0|1,0,0]=3 61 B7R0.3 CCC(C)NCCO Z335251014 [1,0,1,0,0,0|1,0,0]=3 62 B7R0.3 CCC(O)CCCN Z1259162031 [1,0,1,0,0,0|2,0,0]=4 63 B7R0.3 CCCCC(N)CN Z756921038 [1,0,1,0,0,0|2,0,0]=4 64 B7R0.3 CCNCC(C)CC Z335456758 [1,0,1,0,0,0|2,0,0]=4 65 B7R0.3 CCNCC(O)CC Z600449680 [1,0,1,0,0,0|1,0,0]=3 66 B7R0.3 CCOCC(O)CN Z271097110 [1,0,1,0,0,0|2,0,0]=4 67 B7R0.3 CCOCC(O)CO Z1178483452 [1,0,1,0,0,0|1,0,0]=3 68 B7R0.3 O=C(CO)NCCO Z1203732626 [1,0,1,0,0,0|0,0,2]=4 69 B7R0.7 CCCC(C)CCN Z2768767726 [1,0,1,0,0,0|2,0,0]=4 70 B7R0.7 CCCC(O)CCO Z1198158209 [1,0,1,0,0,0|1,0,0]=3 71 B7R0.7 COCC(O)CCN Z1182310348 [1,0,1,0,0,0|2,0,0]=4 72 B7R0.7 NCCC(N)CCN Z4461966452 [1,0,1,0,0,0|2,0,0]=4 73 B7R0.7 NCCC(O)CCN Z4497194547 [1,0,1,0,0,0|1,0,0]=3 74 B7R0.1 CCCCCCCO Z104473596 [1,0,1,0,0,0|2,0,0]=4 75 B7R0.1 CCCOCCCO Z1080358966 [1,0,1,0,0,0|2,0,0]=4 76 B7R0.1 COCCNCCO Z266088374 [1,0,1,0,0,0|2,0,0]=4 77 B7R0.1 ClCCCNCCCl Z2242062238 [1,0,1,0,0,0|2,0,0]=4 78 B7R0.1 N#CCCNCCO Z53116581 [1,0,1,0,0,0|1,0,1]=4 79 B7R0.1 NCCOCCCO Z2044949087 [1,0,1,0,0,0|2,0,0]=4 80 B7R0.1 NCCSCCCO Z406685362 [1,0,1,0,0,0|2,0,0]=4 81 B7R0.1 OCCCCCCBr Z1255398867 [1,0,1,0,0,0|2,0,0]=4 82 B7R0.1 OCCCCCCO Z104473540 [1,0,1,0,0,0|1,0,0]=3 83 B7R0.1 OCCCNCCO Z104654390 [1,0,1,0,0,0|0,0,0]=2 84 B7R0.1 OCCCOCCO Z1373668758 [1,0,1,0,0,0|1,0,0]=3 85 B7R0.1 OCCCSCCO Z149155194 [1,0,1,0,0,0|1,0,0]=3 86 B7R0.1 OCCSSCCO Z1255415413 [1,0,1,0,0,0|2,0,0]=4 87 B7R0.4 CC(C)CNCCO Z3269089575 [1,0,1,0,0,0|1,0,0]=3 88 B7R0.4 CC(N)CCCCO Z2234185667 [1,0,1,0,0,0|2,0,0]=4 89 B7R0.4 CCCNCC(C)C Z90518190 [1,0,1,0,0,0|2,0,0]=4 90 B7R0.4 O=C(O)CNCCO Z425411352 [1,0,1,0,0,0|0,0,2]=4 91 B7R0.4 OCCNCC(F)F Z608352548 [1,0,1,0,0,0|2,0,0]=4 92 B7R0.12 CCC(CC)CCO Z1198174469 [1,0,1,0,0,0|2,0,0]=4 93 B7R0.12 CCCC(CO)OC Z2050356185 [1,0,1,0,0,0|2,0,0]=4 94 B7R0.12 CCNC(CC)CC Z2130642482 [1,0,1,0,0,0|2,0,0]=4 95 B7R0.12 O=CNC(CO)CO Z1259117052 [1,0,1,0,0,0|0,0,2]=4 96 B7R0.15 COC(CO)C(C)C Z1898597061 [1,0,1,0,0,0|2,0,0]=4 97 B7R0.15 CSC(CO)C(C)N Z1238540891 [1,0,1,0,0,0|2,0,0]=4 98 B7R1.1 BrCC1CCCO1 Z90660999 [2,0,0,0,0,0|2,0,0]=4 99 B7R1.1 C#CC1CCCN1 Z1203832764 [2,0,0,0,0,0|1,0,1]=4 100 B7R1.1 CCC1CCCN1 Z281773802 [2,0,0,0,0,0|1,0,0]=3 101 B7R1.1 ClCC1CCCO1 Z56893271 [2,0,0,0,0,0|2,0,0]=4 102 B7R1.1 FCC1CCCN1 Z2216711551 [2,0,0,0,0,0|1,0,0]=3 103 B7R1.1 NCC1CCCC1 Z367452206 [2,0,0,0,0,0|2,0,0]=4 104 B7R1.1 NCC1CCCS1 Z1201677924 [2,0,0,0,0,0|2,0,0]=4 105 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [2,0,0,0,0,0|1,0,0]=3 106 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [2,0,0,0,0,0|1,0,0]=3 107 B7R1.1 OCC1CCCC1 Z397587414 [2,0,0,0,0,0|1,0,0]=3 108 B7R1.1 OCC1CCCN1 Z825308062 [2,0,0,0,0,0|0,0,0]=2 109 B7R1.1 OCC1CCCS1 Z1201679857 [2,0,0,0,0,0|1,0,0]=3 110 B7R1.1 OCC1CCNC1 Z976722188 [2,0,0,0,0,0|2,0,0]=4 111 B7R1.1 OCC1CCOC1 Z335245192 [2,0,0,0,0,0|2,0,0]=4 112 B7R1.1 OCC1CCSC1 Z1201679855 [2,0,0,0,0,0|2,0,0]=4 113 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [2,0,0,0,0,0|0,0,0]=2 114 B7R1.2 CC1CC(=O)CN1 Z1509349081 [2,0,0,0,0,0|0,0,2]=4 115 B7R1.2 CC1CC(CN1)O Z1201051000 [2,0,0,0,0,0|0,0,0]=2 116 B7R1.2 CC1CC(CO1)N Z2418414350 [2,0,0,0,0,0|2,0,0]=4 117 B7R1.2 CC1CC(CS1)N Z1203639702 [2,0,0,0,0,0|2,0,0]=4 118 B7R1.2 CC1CCC(C1)O Z1233224917 [2,0,0,0,0,0|1,0,0]=3 119 B7R1.2 CC1CNC(C1)C Z1250222491 [2,0,0,0,0,0|1,0,0]=3 120 B7R1.2 O=C1CC(CN1)O Z1198157723 [2,0,0,0,0,0|0,0,2]=4 121 B7R1.4 CC1CCCC1N Z1219738990 [2,0,0,0,0,0|2,0,0]=4 122 B7R1.4 CC1CCNC1C Z1335657674 [2,0,0,0,0,0|1,0,0]=3 123 B7R1.4 CC1CNCC1C Z1281657986 [2,0,0,0,0,0|2,0,0]=4 124 B7R1.4 CC1NCCC1=O Z2733314209 [2,0,0,0,0,0|0,0,2]=4 125 B7R1.4 CC1SCCC1N Z2408712737 [2,0,0,0,0,0|2,0,0]=4 126 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [2,0,0,0,0,0|2,0,0]=4 127 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [2,0,0,0,0,0|2,0,0]=4 128 B7R1.4 C[C@@H]1CNC[C@@H]1O Z2309845194 [2,0,0,0,0,0|1,0,0]=3 129 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [2,0,0,0,0,0|0,0,0]=2 130 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [2,0,0,0,0,0|2,0,0]=4 131 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [2,0,0,0,0,0|2,0,0]=4 132 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [2,0,0,0,0,0|2,0,0]=4 133 B7R1.4 N[C@@H]1CSC[C@@H]1O Z3068057819 [2,0,0,0,0,0|2,0,0]=4 134 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [2,0,0,0,0,0|2,0,0]=4 135 B7R1.4 N[C@H]1CNC[C@H]1N Z4670285097 [2,0,0,0,0,0|2,0,0]=4 136 B7R1.4 OC1CCCC1O Z600452564 [2,0,0,0,0,0|1,0,0]=3 137 B7R1.4 OC1CNCC1O Z1147229592 [2,0,0,0,0,0|0,0,0]=2 138 B7R1.4 O[C@@H]1CNC[C@H]1F Z2307368320 [2,0,0,0,0,0|1,0,0]=3 139 B7R1.4 O[C@@H]1CNC[C@H]1O Z2309778206 [2,0,0,0,0,0|0,0,0]=2 140 B7R1.4 O[C@H]1CNC[C@H]1O Z1318268689 [2,0,0,0,0,0|0,0,0]=2 141 B9R0.27 O=C[C@H](O)[C@@H](O)[C@@H](O)CO Z1201619244 [0,1,1,0,0,0|1,0,1]=4 142 B9R0.27 O=C[C@H](O)[C@@H](O)[C@H](O)CO Z1255438834 [0,1,1,0,0,0|1,0,1]=4 143 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO Z1255372712 [0,1,1,0,0,0|1,0,1]=4 144 B9R0.5 CCCCCC(O)CCO Z1198158015 [0,1,1,0,0,0|2,0,0]=4 145 B9R1.7 CNC[C@@H]1C[C@H](CN1)O Z2242008674 [1,1,0,0,0,0|1,0,0]=3 146 B9R1.7 COC[C@@H]1C[C@@H](CN1)O Z2298137791 [1,1,0,0,0,0|0,0,0]=2 147 B9R1.21 OC[C@@H]1CC[C@H](N1)CO Z2309988693 [1,1,0,0,0,0|2,0,0]=4 148 B9R1.35 NC(=O)C1CC(CN1)O Z56960275 [1,1,0,0,0,0|0,0,2]=4 149 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [1,1,0,0,0,0|0,0,1]=3 150 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [1,1,0,0,0,0|0,0,1]=3 151 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [1,1,0,0,0,0|0,0,1]=3 152 B9R1.125 CC1CCC(C1)(N)CO Z4381130473 [1,1,0,0,0,0|2,0,0]=4 153 B9R1.133 OCC1CCC(C1)(F)F Z1618026262 [1,1,0,0,0,0|2,0,0]=4 154 B9R1.24 OCC1NCCC1(F)F Z2733326155 [1,1,0,0,0,0|1,0,0]=3 155 B9R1.33 CCN[C@@H]1CCC[C@H]1O Z1796000613 [1,1,0,0,0,0|2,0,0]=4 156 B9R1.33 CNCC1CCCC1O Z1268477814 [1,1,0,0,0,0|2,0,0]=4 157 B9R1.33 NC1CCCC1CCO Z1509036975 [1,1,0,0,0,0|2,0,0]=4 158 B9R1.33 NCC[C@@H]1CCC[C@@H]1O Z4317048669 [1,1,0,0,0,0|2,0,0]=4 159 B9R1.33 NCC[C@@H]1CCC[C@H]1O Z3272980752 [1,1,0,0,0,0|2,0,0]=4 160 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [1,1,0,0,0,0|1,0,1]=4 161 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [1,1,0,0,0,0|1,0,1]=4 162 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Z3305005618 [1,1,0,0,0,0|1,0,1]=4 163 B9R1.202 CC1(CCCC1N)CO Z1255430902 [1,1,0,0,0,0|2,0,0]=4 164 B9R1.138 CC1(NC[C@H]([C@H]1O)O)C Z4014985822 [1,1,0,0,0,0|0,0,0]=2 165 B9R1.138 CC1(OC[C@H]([C@@H]1O)N)C Z4456587098 [1,1,0,0,0,0|2,0,0]=4 166 B9R1.107 CC1(C(CC1CN)O)C Z3248142559 [0,1,0,0,1,0|2,0,0]=4 167 B11R1.159 O=C(O)[C@H]1NCC[C@H]([C@H]1O)O Z4130211458 [0,1,0,0,0,1|0,0,1]=3 168 B11R1.21 O=C(O)[C@H]1C[C@@H]([C@@H](CO1)O)O Z3664725069 [0,1,0,0,0,1|1,0,1]=4 169 B11R1.865 COC(=O)[C@@H]1NC[C@H]([C@H]1O)O Z4081402837 [0,2,0,0,0,0|0,0,1]=3 170 B11R1.380 CO[C@H]1[C@@H](NC[C@H]1OC)CF Z4928543566 [0,2,0,0,0,0|1,0,0]=3 171 B11R1.380 CO[C@H]1[C@@H](NC[C@H]1OC)CO Z4525331822 [0,2,0,0,0,0|0,0,0]=2 172 B9R1.3 N[C@@H]1CCC[C@H]([C@H]1O)O Z4497061557 [0,0,1,1,0,0|1,0,0]=3 173 B9R1.3 O[C@H]1CNC[C@H]([C@H]1O)O Z1203732389 [0,0,1,1,0,0|2,0,0]=4 174 B9R1.5 O[C@H]1CCNCC[C@H]1O Z3681811836 [0,0,1,1,0,0|2,0,0]=4 175 B9R1.11 NCC(O)C1CCOC1 Z2418537435 [0,0,1,1,0,0|1,0,0]=3 176 B9R1.15 NCC1CCCCC1O Z409444222 [0,0,1,1,0,0|2,0,0]=4 177 B9R1.15 NC[C@@H]1CCCC[C@@H]1O Z2306746656 [0,0,1,1,0,0|2,0,0]=4 178 B9R1.69 NC1CC[C@H]([C@H](C1)O)O Z2936002015 [0,0,1,1,0,0|2,0,0]=4 179 B9R1.1 OCC1CCC(CC1)O Z1255451065 [0,0,1,1,0,0|2,0,0]=4 180 B9R1.2 CC1CNCC(O1)CO Z1509113623 [0,0,1,1,0,0|1,0,0]=3 181 B9R1.2 CCC1CNCC(O1)C Z405744530 [0,0,1,1,0,0|2,0,0]=4 182 B9R1.89 FCC1CNCCCO1 Z2295370275 [0,0,1,1,0,0|2,0,0]=4 183 B9R1.89 OCC1CCCCNC1 Z1318147457 [0,0,1,1,0,0|2,0,0]=4 184 B9R1.118 CC1(CCCNC1)CO Z1198184762 [0,0,1,1,0,0|2,0,0]=4 185 B9R1.118 CCC1(CNCCO1)C Z1020801330 [0,0,1,1,0,0|2,0,0]=4 186 B9R1.118 OCC1(CCCNC1)O Z2284393168 [0,0,1,1,0,0|1,0,0]=3 187 B9R1.12 FCCNC1CCOC1 Z5569834625 [0,0,1,1,0,0|2,0,0]=4 188 B9R1.12 OCCNC1CCCC1 Z1162448840 [0,0,1,1,0,0|2,0,0]=4 189 B9R1.204 CCC1(CCCN1)CO Z1235967861 [0,0,1,1,0,0|2,0,0]=4 190 B9R1.204 OCC1(CCCO1)CO Z1726051641 [0,0,1,1,0,0|1,0,0]=3 191 B9R2.39 OC1CC2CCC1C2 Z104479470 [1,0,0,1,0,0|2,0,0]=4 192 B9R2.39 OC1CC2CCC1O2 Z1255395449 [1,0,0,1,0,0|2,0,0]=4 193 B9R2.39 O[C@@H]1C[C@H]2CN[C@@H]1C2 Z3288510014 [1,0,0,1,0,0|1,0,0]=3 194 B9R2.68 C1NC2COCC1C2 Z4789051337 [1,0,0,1,0,0|1,0,0]=3 195 B9R2.68 C1NC2CSCC1C2 Z5013438049 [1,0,0,1,0,0|1,1,0]=4 196 B9R2.68 C1NCC2CC1CN2 Z3491361794 [1,0,0,1,0,0|2,0,0]=4 197 B9R2.110 CC12CNC(C1)CO2 Z4775683870 [1,0,0,1,0,0|1,0,0]=3 198 B9R2.3 C1CC2CCNC2C1 Z1201627727 [1,0,0,1,0,0|2,0,0]=4 199 B9R2.5 F[C@@H]1CCC[C@@]12CO2 Z3006439959 [1,0,0,1,0,0|2,0,0]=4 200 B9R2.5 OC1CCNC12CC2 Z3243520641 [1,0,0,1,0,0|1,0,0]=3 201 B9R2.5 OC1COCC12CO2 Z3446039196 [1,0,0,1,0,0|2,0,0]=4 202 B9R2.24 O[C@@H]1[C@@H]2CO[C@H]1CN2 Z3379722157 [1,0,0,1,0,0|0,0,0]=2 203 B9R2.53 OC1C2CNCC1C2 Z1020801268 [0,0,0,1,1,0|2,0,0]=4 204 B11R2.130 CC1C(CC2CCC1N2)O Z2738925514 [0,0,0,1,0,1|2,0,0]=4 205 B11R2.130 O[C@H]1[C@@H]2CC[C@@H](N2)C[C@H]1O Z4259736359 [0,0,0,1,0,1|1,0,0]=3 206 B11R2.565 OC1[C@H]2CNC[C@@H]1COC2 Z1203830597 [0,0,0,1,0,1|1,0,0]=3 207 B11R2.2312 NC12CCC(C1)[C@@H]([C@@H]2O)O Z3967656597 [0,1,0,1,0,0|2,0,0]=4 208 B11R2.1473 O[C@@H]1[C@@H](CNC12CCC2)O Z3892421840 [0,1,0,1,0,0|1,0,0]=3 209 B11R2.60 O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O Z1258981468 [0,1,0,1,0,0|1,0,0]=3 210 B11R2.60 O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O Z1216815730 [0,1,0,1,0,0|1,0,0]=3 211 B7R1.10 CCC1CC(C1)N Z4130021870 [1,0,0,0,1,0|2,0,0]=4 212 B7R1.10 CNC1CC(C1)O Z1318186466 [1,0,0,0,1,0|2,0,0]=4 213 B7R1.10 NC[C@H]1C[C@@H](C1)O Z2755724217 [1,0,0,0,1,0|1,0,0]=3 214 B7R1.10 N[C@H]1C[C@H](C1)CO Z1203585248 [1,0,0,0,1,0|1,0,0]=3