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[1,0,0,0,0,0|2,0,0]=3 51 B9R1.3 C[C@H]1CNC[C@@H]([C@@H]1O)O MCULE-9501528896 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.3 NC1C(CCCC1O)O MCULE-1978359416 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.3 N[C@@H]1CCC[C@H]([C@@H]1O)O MCULE-7294484287 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.3 N[C@H]1CCC[C@@H]([C@@H]1O)O MCULE-4901407173 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.3 N[C@H]1CCC[C@H]([C@@H]1O)O MCULE-2706489441 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.3 OC1CCCC(C1O)O MCULE-2835511427 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.3 [C@@H]1(CCC[C@H]([C@@H]1N)O)O MCULE-9327450801 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.69 CC1CC(C(CN1)C)O MCULE-4236165208 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.69 CC1CC(C(CN1)C)O MCULE-4276808995 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.69 CC1CC(C(CN1)C)O MCULE-7662096159 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.69 CC1CC(CCC1O)N MCULE-2064143098 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.69 CC1CCC(C(C1)C)O MCULE-1958135453 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.69 CC1CCC(C(C1)O)C MCULE-8174479267 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.69 CC1CCC(CC1C)O MCULE-6171532647 [1,0,0,0,0,0|3,0,0]=4 65 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[0,1,0,0,0,0|0,0,0]=1 78 B11R1.32 C[C@@H]1OC([C@H]([C@@H]([C@@H]1O)O)O)O MCULE-9914357813 [0,1,0,0,0,0|0,0,0]=1 79 B11R1.32 C[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)O MCULE-5309788311 [0,1,0,0,0,0|0,0,0]=1 80 B11R1.32 C[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)N MCULE-4138929025 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.32 C[C@@H]1O[C@H]([C@@H]([C@@H]([C@H]1O)O)O)O MCULE-7567505691 [0,1,0,0,0,0|0,0,0]=1 82 B11R1.32 C[C@@H]1O[C@H]([C@@H]([C@@H]([C@H]1O)O)O)O MCULE-9223643004 [0,1,0,0,0,0|0,0,0]=1 83 B11R1.32 C[C@@H]1O[C@H]([C@H]([C@@H]([C@@H]1O)O)O)O MCULE-3241475540 [0,1,0,0,0,0|0,0,0]=1 84 B11R1.32 C[C@@H]1O[C@H]([C@H]([C@@H]([C@@H]1O)O)O)O MCULE-3903381632 [0,1,0,0,0,0|0,0,0]=1 85 B11R1.32 C[C@H]1OC([C@@H]([C@H]([C@@H]1O)O)O)O MCULE-3878889849 [0,1,0,0,0,0|0,0,0]=1 86 B11R1.32 C[C@H]1OC([C@H]([C@H]([C@@H]1O)O)O)O MCULE-3704004241 [0,1,0,0,0,0|0,0,0]=1 87 B11R1.32 C[C@H]1OC([C@H]([C@H]([C@@H]1O)O)O)O MCULE-8824282054 [0,1,0,0,0,0|0,0,0]=1 88 B11R1.32 C[C@H]1O[C@@H]([C@@H]([C@H]([C@H]1O)O)O)O MCULE-1454234268 [0,1,0,0,0,0|0,0,0]=1 89 B11R1.32 NC1CC(C(C(C1O)O)O)N MCULE-6241389942 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.32 NC1CC(C(C(C1O)O)O)N MCULE-8265262684 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.32 N[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N MCULE-6726837459 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.32 N[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N MCULE-9207937782 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.32 N[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O)O)N MCULE-9481957696 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.32 N[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O MCULE-8670515216 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.32 O=C1C[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O MCULE-9568991404 [0,1,0,0,0,0|1,0,0]=2 96 B11R1.32 OC1CC(C(C(C1O)O)O)O MCULE-7801163516 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.32 OC1[C@H]([C@@H](C[C@H]([C@@H]1O)O)O)O MCULE-7409900375 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.32 O[C@H]1C[C@H]([C@@H]([C@H]([C@H]1O)O)O)O MCULE-1942881946 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.32 O[C@H]1[C@@H](C[C@H]([C@H]([C@@H]1O)O)O)O MCULE-4079002611 [0,1,0,0,0,0|1,0,0]=2 100 B11R1.32 O[C@H]1[C@@H](C[C@H]([C@H]([C@@H]1O)O)O)O MCULE-5601778735 [0,1,0,0,0,0|1,0,0]=2 101 B11R1.278 COC1OCC(C(C1O)O)O MCULE-6740446867 [0,1,0,0,0,0|0,0,0]=1 102 B11R1.278 COC1OC[C@H]([C@@H]([C@H]1O)O)O MCULE-2720801334 [0,1,0,0,0,0|0,0,0]=1 103 B11R1.278 CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O MCULE-5796880776 [0,1,0,0,0,0|0,0,0]=1 104 B11R1.278 CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O MCULE-6235124009 [0,1,0,0,0,0|0,0,0]=1 105 B11R1.278 CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O MCULE-7418809072 [0,1,0,0,0,0|0,0,0]=1 106 B11R1.278 CO[C@@H]1OC[C@H]([C@H]([C@@H]1O)O)O MCULE-4673979681 [0,1,0,0,0,0|0,0,0]=1 107 B11R1.278 CO[C@@H]1OC[C@H]([C@H]([C@@H]1O)O)O MCULE-5778580556 [0,1,0,0,0,0|0,0,0]=1 108 B11R1.278 CO[C@@H]1OC[C@H]([C@H]([C@H]1O)O)O MCULE-4929927436 [0,1,0,0,0,0|0,0,0]=1 109 B11R1.278 CO[C@@H]1OC[C@H]([C@H]([C@H]1O)O)O MCULE-5655222799 [0,1,0,0,0,0|0,0,0]=1 110 B11R1.278 CO[C@H]1OC[C@@H]([C@@H]([C@H]1O)O)O MCULE-1771033584 [0,1,0,0,0,0|0,0,0]=1 111 B11R1.278 CO[C@H]1OC[C@@H]([C@@H]([C@H]1O)O)O 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OC[C@H]1NC[C@@H]([C@H]([C@@H]1O)O)O MCULE-8897116077 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.278 OC[C@H]1NC[C@@H]([C@H]([C@H]1O)O)O MCULE-3687609653 [0,1,0,0,0,0|1,0,0]=2 125 B11R1.278 OC[C@H]1NC[C@@H]([C@H]([C@H]1O)O)O MCULE-3759351391 [0,1,0,0,0,0|1,0,0]=2 126 B11R1.278 OC[C@H]1NC[C@@H]([C@H]([C@H]1O)O)O MCULE-6717850596 [0,1,0,0,0,0|1,0,0]=2 127 B11R1.278 OC[C@H]1NC[C@@H]([C@H]([C@H]1O)O)O MCULE-9908232709 [0,1,0,0,0,0|1,0,0]=2 128 B11R1.278 OC[C@H]1NC[C@H]([C@H]([C@@H]1O)O)O MCULE-1549794897 [0,1,0,0,0,0|1,0,0]=2 129 B11R1.278 OC[C@H]1NC[C@H]([C@H]([C@@H]1O)O)O MCULE-3347277528 [0,1,0,0,0,0|1,0,0]=2 130 B11R1.278 OC[C@H]1NC[C@H]([C@H]([C@@H]1O)O)O MCULE-3572681892 [0,1,0,0,0,0|1,0,0]=2 131 B11R1.278 OC[C@H]1NC[C@H]([C@H]([C@@H]1O)O)O MCULE-4809870237 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.278 OC[C@H]1OC[C@@H]([C@H]([C@@H]1O)O)O MCULE-1084535328 [0,1,0,0,0,0|0,0,0]=1 133 B11R1.278 OC[C@H]1OC[C@@H]([C@H]([C@@H]1O)O)O MCULE-3911794509 [0,1,0,0,0,0|0,0,0]=1 134 B11R1.278 OC[C@H]1OC[C@H]([C@H]([C@@H]1O)O)O MCULE-5628459668 [0,1,0,0,0,0|0,0,0]=1 135 B11R1.278 OC[C@H]1OC[C@H]([C@H]([C@@H]1O)O)O MCULE-8354002491 [0,1,0,0,0,0|0,0,0]=1 136 B11R1.278 [C@@H]1(CO[C@@H]([C@@H]([C@@H]1O)O)CO)O MCULE-6342457653 [0,1,0,0,0,0|0,0,0]=1 137 B9R0.8 CCCOC(=O)C(O)CO MCULE-8417972941 [0,0,1,0,0,0|1,0,2]=4 138 B9R0.8 COCCC(O)C(O)CO MCULE-8755237951 [0,0,1,0,0,0|3,0,0]=4 139 B9R0.8 COCC[C@H](O)[C@H](O)CO MCULE-6552589711 [0,0,1,0,0,0|3,0,0]=4 140 B9R0.24 CCC(O)CCC(O)CC MCULE-1642680986 [0,0,1,0,0,0|3,0,0]=4 141 B9R0.24 CC[C@@H](O)CC[C@H](O)CC MCULE-1865073881 [0,0,1,0,0,0|3,0,0]=4 142 B9R0.24 CC[C@@H](O)CC[C@H](O)CC MCULE-3722023249 [0,0,1,0,0,0|3,0,0]=4 143 B9R0.24 CC[C@H](O)CC[C@@H](O)CC MCULE-2960364022 [0,0,1,0,0,0|3,0,0]=4 144 B9R0.24 CC[C@H](O)CC[C@@H](O)CC MCULE-6575186172 [0,0,1,0,0,0|3,0,0]=4 145 B9R0.24 O=C(CS)OCC(O)CO MCULE-2071903342 [0,0,1,0,0,0|0,1,2]=4 146 B9R0.27 O=C(CO)C(O)C(O)CO MCULE-8935556784 [0,0,1,0,0,0|0,0,2]=3 147 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO MCULE-2725905076 [0,0,1,0,0,0|0,0,2]=3 148 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO MCULE-9876605173 [0,0,1,0,0,0|0,0,2]=3 149 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO MCULE-7865729102 [0,0,1,0,0,0|0,0,2]=3 150 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO MCULE-9552269577 [0,0,1,0,0,0|0,0,2]=3 151 B9R0.27 O=C(CO)[C@H](O)[C@@H](O)CO MCULE-2032052659 [0,0,1,0,0,0|0,0,2]=3 152 B9R0.27 O=C(CO)[C@H](O)[C@H](O)CO MCULE-5136624528 [0,0,1,0,0,0|0,0,2]=3 153 B9R0.27 O=CC(O)C(O)C(O)CO MCULE-9562771067 [0,0,1,0,0,0|0,0,2]=3 154 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@@H](O)CO MCULE-1120126008 [0,0,1,0,0,0|0,0,2]=3 155 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@@H](O)CO MCULE-2723797968 [0,0,1,0,0,0|0,0,2]=3 156 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-1190384749 [0,0,1,0,0,0|0,0,2]=3 157 B9R0.27 O=C[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-2266732421 [0,0,1,0,0,0|0,0,2]=3 158 B9R0.27 O=C[C@@H](O)[C@H](O)[C@@H](O)CO MCULE-1097497548 [0,0,1,0,0,0|0,0,2]=3 159 B9R0.27 O=C[C@@H](O)[C@H](O)[C@@H](O)CO MCULE-7909984167 [0,0,1,0,0,0|0,0,2]=3 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OCC(O)C(O)C(O)CO MCULE-9129572486 [0,0,1,0,0,0|0,0,0]=1 173 B9R0.27 OC[C@@H](O)C(O)[C@H](O)CO MCULE-8306941933 [0,0,1,0,0,0|0,0,0]=1 174 B9R0.27 OC[C@@H](O)C(O)[C@H](O)CO MCULE-9668936414 [0,0,1,0,0,0|0,0,0]=1 175 B9R0.27 OC[C@H](O)C(O)[C@@H](O)CO MCULE-6137228639 [0,0,1,0,0,0|0,0,0]=1 176 B9R0.27 OC[C@H](O)C(O)[C@@H](O)CO MCULE-9731864914 [0,0,1,0,0,0|0,0,0]=1 177 B9R0.27 OC[C@H](O)[C@@H](O)[C@H](O)CO MCULE-6476329373 [0,0,1,0,0,0|0,0,0]=1 178 B9R0.27 OC[C@H](O)[C@H](O)[C@H](O)CO MCULE-5168116503 [0,0,1,0,0,0|0,0,0]=1 179 B11R2.367 OC1C2CCC(C1O)CC2 MCULE-9910867655 [0,0,0,1,0,0|3,0,0]=4 180 B11R2.367 OC1C2CCC(C1O)NC2 MCULE-3801140254 [0,0,0,1,0,0|3,0,0]=4 181 B11R2.367 OC1C2CCC(C1O)NC2 MCULE-9126858644 [0,0,0,1,0,0|3,0,0]=4 182 B9R1.37 CC1OC(=O)C(C1O)O MCULE-1862325809 [0,0,0,0,1,0|1,0,2]=4 183 B9R1.37 CC1OC(C(C1O)O)O MCULE-7774087123 [0,0,0,0,1,0|1,0,0]=2 184 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O MCULE-3554272195 [0,0,0,0,1,0|1,0,2]=4 185 B9R1.37 N[C@@H]1C[C@@H]([C@H]([C@H]1O)O)O MCULE-7192019909 [0,0,0,0,1,0|1,0,0]=2 186 B9R1.37 N[C@@H]1C[C@@H]([C@H]([C@H]1O)O)O MCULE-9128030642 [0,0,0,0,1,0|1,0,0]=2 187 B11R1.499 O[C@@H]1CNC[C@H]([C@H]([C@@H]1O)O)O MCULE-8987981516 [0,0,0,0,0,1|1,0,0]=2 188 B11R1.499 O[C@@H]1CNC[C@H]([C@H]([C@@H]1O)O)O MCULE-9783362158 [0,0,0,0,0,1|1,0,0]=2 189 B11R1.499 O[C@H]1CNC[C@@H]([C@@H]([C@H]1O)O)O MCULE-3882000131 [0,0,0,0,0,1|1,0,0]=2 190 B11R1.499 O[C@H]1CNC[C@@H]([C@@H]([C@H]1O)O)O MCULE-4280217220 [0,0,0,0,0,1|1,0,0]=2 191 B11R1.499 O[C@H]1CNC[C@H]([C@@H]([C@H]1O)O)O MCULE-1327782318 [0,0,0,0,0,1|1,0,0]=2 192 B11R1.499 O[C@H]1CNC[C@H]([C@@H]([C@H]1O)O)O MCULE-2814792865 [0,0,0,0,0,1|1,0,0]=2 193 B8R0.1 CCCC(O)CCCO MCULE-4169738114 [1,0,1,0,0,0|2,0,0]=4 194 B8R0.1 CCCCC(O)CCO MCULE-1527111701 [1,0,1,0,0,0|2,0,0]=4 195 B8R0.3 CCCC(O)C(N)CO MCULE-6983866986 [1,0,1,0,0,0|2,0,0]=4 196 B8R0.3 O=CCC(O)C(O)CO MCULE-3895407431 [1,0,1,0,0,0|0,0,2]=4 197 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO MCULE-1639637147 [1,0,1,0,0,0|0,0,2]=4 198 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO MCULE-4968821647 [1,0,1,0,0,0|0,0,2]=4 199 B8R0.3 O=CC[C@@H](O)[C@H](O)CO MCULE-5691852027 [1,0,1,0,0,0|0,0,2]=4 200 B8R0.3 O=CC[C@H](O)[C@H](O)CO MCULE-4741377107 [1,0,1,0,0,0|0,0,2]=4 201 B8R0.3 O=CC[C@H](O)[C@H](O)CO MCULE-6728124442 [1,0,1,0,0,0|0,0,2]=4 202 B8R0.3 O=CC[C@H](O)[C@H](O)CO MCULE-7223741689 [1,0,1,0,0,0|0,0,2]=4 203 B8R0.6 C=CCOCC(O)CO MCULE-2581090167 [1,0,1,0,0,0|1,0,1]=4 204 B8R0.6 C=CCOC[C@H](O)CO MCULE-2586134581 [1,0,1,0,0,0|1,0,1]=4 205 B8R0.6 C=CCOC[C@H](O)CO MCULE-2761205966 [1,0,1,0,0,0|1,0,1]=4 206 B8R0.6 CCCCCC(O)CO MCULE-4124719814 [1,0,1,0,0,0|2,0,0]=4 207 B8R0.6 CCCNCC(O)CO MCULE-1611893086 [1,0,1,0,0,0|2,0,0]=4 208 B8R0.6 CCCOCC(C)CO MCULE-8326797774 [1,0,1,0,0,0|2,0,0]=4 209 B8R0.6 CCCOCC(O)CO MCULE-8815613620 [1,0,1,0,0,0|1,0,0]=3 210 B8R0.6 CCCOC[C@H](O)CO MCULE-7750792134 [1,0,1,0,0,0|1,0,0]=3 211 B8R0.6 NCCNCC(O)CO MCULE-4818647623 [1,0,1,0,0,0|2,0,0]=4 212 B8R0.6 OC(CCl)COCCCl MCULE-4547951832 [1,0,1,0,0,0|2,0,0]=4 213 B8R0.6 OCCCCC(O)CO MCULE-5891501842 [1,0,1,0,0,0|1,0,0]=3 214 B8R0.6 OCCNCC(O)CO MCULE-1632492020 [1,0,1,0,0,0|1,0,0]=3 215 B8R0.6 OCCOCC(O)CCl MCULE-1530998868 [1,0,1,0,0,0|1,0,0]=3 216 B8R0.6 OCCOCC(O)CO MCULE-4768071463 [1,0,1,0,0,0|0,0,0]=2 217 B8R0.8 CC(O)C(=O)OCCO MCULE-9321822945 [1,0,1,0,0,0|0,0,2]=4 218 B8R0.9 CC(=O)OCC(O)CO MCULE-7518673015 [1,0,1,0,0,0|0,0,2]=4 219 B8R0.9 CC(C)COC(C)CO MCULE-5746553586 [1,0,1,0,0,0|2,0,0]=4 220 B8R0.9 CC(C)NCC(O)CO MCULE-6111772035 [1,0,1,0,0,0|2,0,0]=4 221 B8R0.9 CC(C)NC[C@@H](O)CO MCULE-2239468159 [1,0,1,0,0,0|2,0,0]=4 222 B8R0.9 CC(C)NC[C@@H](O)CO MCULE-7993975282 [1,0,1,0,0,0|2,0,0]=4 223 B8R0.9 CC(C)NC[C@H](O)CO MCULE-3918662429 [1,0,1,0,0,0|2,0,0]=4 224 B8R0.9 CC(C)NC[C@H](O)CO MCULE-5916462695 [1,0,1,0,0,0|2,0,0]=4 225 B8R0.9 CC(C)OCC(O)CCl MCULE-4441637540 [1,0,1,0,0,0|2,0,0]=4 226 B8R0.9 CC(C)OCC(O)CI MCULE-7852993488 [1,0,1,0,0,0|2,0,0]=4 227 B8R0.9 CC(C)OCC(O)CN MCULE-4268894257 [1,0,1,0,0,0|2,0,0]=4 228 B8R0.9 CC(O)CNC(C)CO MCULE-6157391749 [1,0,1,0,0,0|2,0,0]=4 229 B8R0.9 CC(O)COC(C)CO MCULE-7544702364 [1,0,1,0,0,0|1,0,0]=3 230 B8R0.2 CC(=O)C(O)C(O)CO MCULE-1853649042 [1,0,1,0,0,0|0,0,2]=4 231 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO MCULE-9565941206 [1,0,1,0,0,0|0,0,2]=4 232 B8R0.2 CC(O)C(O)C(O)C=O MCULE-2576273900 [1,0,1,0,0,0|0,0,2]=4 233 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O MCULE-1942337033 [1,0,1,0,0,0|0,0,2]=4 234 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O MCULE-4131864005 [1,0,1,0,0,0|0,0,2]=4 235 B8R0.2 C[C@H](O)[C@H](O)[C@@H](O)C=O MCULE-8061692459 [1,0,1,0,0,0|0,0,2]=4 236 B8R0.2 C[C@H](O)[C@H](O)[C@H](O)C=O MCULE-5963868974 [1,0,1,0,0,0|0,0,2]=4 237 B8R0.2 O=C(O)C(O)C(O)CO MCULE-1397527919 [1,0,1,0,0,0|0,0,2]=4 238 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-1531474304 [1,0,1,0,0,0|0,0,2]=4 239 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-3829421433 [1,0,1,0,0,0|0,0,2]=4 240 B8R0.19 CC(CO)CC(C)CO MCULE-5101558507 [1,0,1,0,0,0|2,0,0]=4 241 B8R0.19 CC[C@@H](O)C[C@H](O)CC MCULE-8992338479 [1,0,1,0,0,0|2,0,0]=4 242 B8R0.19 CC[C@H](O)C[C@@H](O)CC MCULE-4286526192 [1,0,1,0,0,0|2,0,0]=4 243 B8R0.19 COC(=O)CC(O)CO MCULE-1721395490 [1,0,1,0,0,0|0,0,2]=4 244 B8R0.19 COC(=O)CC(O)CO MCULE-7578547932 [1,0,1,0,0,0|0,0,2]=4 245 B8R0.19 COC(=O)C[C@H](O)CO MCULE-3243102477 [1,0,1,0,0,0|0,0,2]=4 246 B8R0.19 COC(=O)C[C@H](O)CO MCULE-7538479392 [1,0,1,0,0,0|0,0,2]=4 247 B8R0.19 O=C(CO)CC(O)CO MCULE-2853556664 [1,0,1,0,0,0|0,0,2]=4 248 B8R0.23 CC(O)CC(O)C(C)C MCULE-5906290473 [1,0,1,0,0,0|2,0,0]=4 249 B8R1.4 CC1CC(CCN1)O MCULE-6498081704 [2,0,0,0,0,0|2,0,0]=4 250 B8R1.4 CC1CC(CCN1)O MCULE-7903568675 [2,0,0,0,0,0|2,0,0]=4 251 B8R1.4 CC1CC(CCO1)N MCULE-6804148880 [2,0,0,0,0,0|2,0,0]=4 252 B8R1.4 CC1CC(CCO1)N MCULE-8648516718 [2,0,0,0,0,0|2,0,0]=4 253 B8R1.4 CC1CC(CCO1)O MCULE-4865141445 [2,0,0,0,0,0|1,0,0]=3 254 B8R1.4 CC1CCCC(C1)O MCULE-5839979596 [2,0,0,0,0,0|2,0,0]=4 255 B8R1.4 CC1CCC[C@H](C1)O MCULE-8817611474 [2,0,0,0,0,0|2,0,0]=4 256 B8R1.4 CC1CNCC(C1)O MCULE-3984160340 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.4 CC1CNCC(C1)O MCULE-8485435970 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.4 C[C@@H]1CCC[C@@H](C1)O MCULE-9818117668 [2,0,0,0,0,0|2,0,0]=4 259 B8R1.4 C[C@@H]1C[C@@H](CCN1)O MCULE-4140093728 [2,0,0,0,0,0|2,0,0]=4 260 B8R1.4 C[C@@H]1C[C@@H](CCN1)O MCULE-5163618886 [2,0,0,0,0,0|2,0,0]=4 261 B8R1.4 C[C@@H]1C[C@@H](CCN1)O MCULE-7763919398 [2,0,0,0,0,0|2,0,0]=4 262 B8R1.4 C[C@@H]1C[C@@H](CCN1)O MCULE-8618284571 [2,0,0,0,0,0|2,0,0]=4 263 B8R1.4 C[C@@H]1C[C@@H](CCO1)N MCULE-5401313109 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.4 C[C@@H]1C[C@@H](CCO1)N MCULE-6369939467 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.4 C[C@@H]1C[C@@H](CCO1)O MCULE-6251959536 [2,0,0,0,0,0|1,0,0]=3 266 B8R1.4 C[C@@H]1C[C@H](CCN1)O MCULE-6703272966 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.4 C[C@@H]1C[C@H](CCO1)Br MCULE-5055630042 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.4 C[C@@H]1C[C@H](CCO1)N MCULE-3414529082 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.4 C[C@@H]1C[C@H](CCO1)N MCULE-9424615508 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.4 C[C@H]1CCC[C@H](C1)O MCULE-9355825371 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.4 C[C@H]1C[C@@H](CCN1)O MCULE-1694554479 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.4 C[C@H]1C[C@@H](CCO1)N MCULE-1731421927 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.4 C[C@H]1C[C@@H](CCO1)O MCULE-3846187212 [2,0,0,0,0,0|1,0,0]=3 274 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-2129467220 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-2293561927 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-2465229358 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-2588665539 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-4194322726 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-4666938059 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.4 C[C@H]1C[C@H](CCO1)N MCULE-6954386064 [2,0,0,0,0,0|2,0,0]=4 281 B8R1.4 C[C@H]1C[C@H](CCO1)O MCULE-3007764630 [2,0,0,0,0,0|1,0,0]=3 282 B8R1.4 NC1CCCC(C1)O MCULE-6642881941 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.4 NC1CCCC(C1)O MCULE-7481733301 [2,0,0,0,0,0|2,0,0]=4 284 B8R1.4 NC1CNCC(C1)O MCULE-6920221467 [2,0,0,0,0,0|2,0,0]=4 285 B8R1.4 NC1COCC(C1)O MCULE-4181084305 [2,0,0,0,0,0|1,0,0]=3 286 B8R1.4 NC1COCC(C1)O MCULE-5761305163 [2,0,0,0,0,0|1,0,0]=3 287 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-2185895220 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-6878512399 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-7794771906 [2,0,0,0,0,0|2,0,0]=4 290 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-9600913098 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-3943542357 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-7462583711 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-8163415958 [2,0,0,0,0,0|2,0,0]=4 294 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-9050533878 [2,0,0,0,0,0|2,0,0]=4 295 B8R1.4 N[C@@H]1COC[C@@H](C1)O MCULE-2589345375 [2,0,0,0,0,0|1,0,0]=3 296 B8R1.4 N[C@@H]1COC[C@@H](C1)O MCULE-5154891684 [2,0,0,0,0,0|1,0,0]=3 297 B8R1.4 N[C@@H]1COC[C@H](C1)O MCULE-1888308248 [2,0,0,0,0,0|1,0,0]=3 298 B8R1.4 N[C@@H]1COC[C@H](C1)O MCULE-4630509866 [2,0,0,0,0,0|1,0,0]=3 299 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-2088777566 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-6052884406 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-7145455722 [2,0,0,0,0,0|2,0,0]=4 302 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-8458598098 [2,0,0,0,0,0|2,0,0]=4 303 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-1402442931 [2,0,0,0,0,0|2,0,0]=4 304 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-2566868682 [2,0,0,0,0,0|2,0,0]=4 305 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-8263508625 [2,0,0,0,0,0|2,0,0]=4 306 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-9158452946 [2,0,0,0,0,0|2,0,0]=4 307 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-9908500977 [2,0,0,0,0,0|2,0,0]=4 308 B8R1.4 N[C@H]1COC[C@@H](C1)O MCULE-6168789714 [2,0,0,0,0,0|1,0,0]=3 309 B8R1.4 N[C@H]1COC[C@H](C1)O MCULE-1887576189 [2,0,0,0,0,0|1,0,0]=3 310 B8R1.4 N[C@H]1COC[C@H](C1)O MCULE-2203204142 [2,0,0,0,0,0|1,0,0]=3 311 B8R1.4 O=C1COCC(C1)O MCULE-6056926421 [2,0,0,0,0,0|0,0,2]=4 312 B8R1.4 OC1CCCC(C1)O MCULE-5377622416 [2,0,0,0,0,0|1,0,0]=3 313 B8R1.4 OC1CNCC(C1)O MCULE-1197120974 [2,0,0,0,0,0|1,0,0]=3 314 B8R1.4 OC1CNCC(C1)O MCULE-4759581472 [2,0,0,0,0,0|1,0,0]=3 315 B8R1.4 O[C@@H]1CCC[C@H](C1)O MCULE-1135108851 [2,0,0,0,0,0|1,0,0]=3 316 B8R1.4 O[C@@H]1CCC[C@H](C1)O MCULE-4488851523 [2,0,0,0,0,0|1,0,0]=3 317 B8R1.4 O[C@@H]1CNC[C@@H](C1)F MCULE-1439853464 [2,0,0,0,0,0|2,0,0]=4 318 B8R1.4 O[C@@H]1CNC[C@@H](C1)F MCULE-9096067151 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.4 O[C@@H]1CNC[C@@H](C1)O MCULE-1294085941 [2,0,0,0,0,0|1,0,0]=3 320 B8R1.4 O[C@@H]1CNC[C@@H](C1)O MCULE-3774231585 [2,0,0,0,0,0|1,0,0]=3 321 B8R1.4 O[C@@H]1CNC[C@H](C1)O MCULE-5630014959 [2,0,0,0,0,0|1,0,0]=3 322 B8R1.4 O[C@@H]1CNC[C@H](C1)O MCULE-8096152429 [2,0,0,0,0,0|1,0,0]=3 323 B8R1.4 O[C@H]1CCC[C@@H](C1)O MCULE-4718573149 [2,0,0,0,0,0|1,0,0]=3 324 B8R1.4 O[C@H]1CCC[C@H](C1)O MCULE-9402957017 [2,0,0,0,0,0|1,0,0]=3 325 B8R1.4 O[C@H]1CNC[C@@H](C1)O MCULE-3635256197 [2,0,0,0,0,0|1,0,0]=3 326 B8R1.4 O[C@H]1CNC[C@@H](C1)O MCULE-7162868831 [2,0,0,0,0,0|1,0,0]=3 327 B8R1.4 [C@H]1(CCC[C@H](C1)O)N MCULE-1919170190 [2,0,0,0,0,0|2,0,0]=4 328 B8R1.4 [C@H]1(CCC[C@H](C1)O)N MCULE-2985238129 [2,0,0,0,0,0|2,0,0]=4 329 B8R1.5 BrC1CCCOC1Br MCULE-5122148511 [2,0,0,0,0,0|2,0,0]=4 330 B8R1.5 CC1CCCCC1O MCULE-2704647488 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.5 CC1CCNCC1O MCULE-5450375148 [2,0,0,0,0,0|2,0,0]=4 332 B8R1.5 CC1CCNCC1O MCULE-5649027214 [2,0,0,0,0,0|2,0,0]=4 333 B8R1.5 CC1CNCCC1O MCULE-1960718296 [2,0,0,0,0,0|2,0,0]=4 334 B8R1.5 CC1CNCCC1O MCULE-8434519185 [2,0,0,0,0,0|2,0,0]=4 335 B8R1.5 CC1COCCC1N MCULE-6236890728 [2,0,0,0,0,0|2,0,0]=4 336 B8R1.5 CC1COCCC1N MCULE-7497946239 [2,0,0,0,0,0|2,0,0]=4 337 B8R1.5 CC1COCCC1O MCULE-9430778912 [2,0,0,0,0,0|1,0,0]=3 338 B8R1.5 CC1NCCCC1O MCULE-4670774259 [2,0,0,0,0,0|2,0,0]=4 339 B8R1.5 CC1NCCCC1O MCULE-7229970366 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.5 C[C@@H]1CCCC[C@@H]1O MCULE-3547716632 [2,0,0,0,0,0|2,0,0]=4 341 B8R1.5 C[C@@H]1CCCC[C@@H]1O MCULE-9259793572 [2,0,0,0,0,0|2,0,0]=4 342 B8R1.5 C[C@@H]1CCNC[C@@H]1O MCULE-6946702609 [2,0,0,0,0,0|2,0,0]=4 343 B8R1.5 C[C@@H]1CCNC[C@@H]1O MCULE-7899767253 [2,0,0,0,0,0|2,0,0]=4 344 B8R1.5 C[C@@H]1CCNC[C@@H]1O MCULE-9159305922 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.5 C[C@@H]1CCNC[C@@H]1O MCULE-9391376462 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.5 C[C@@H]1CCNC[C@H]1O MCULE-4706073937 [2,0,0,0,0,0|2,0,0]=4 347 B8R1.5 C[C@@H]1CCNC[C@H]1O MCULE-5188621987 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.5 C[C@@H]1CCNC[C@H]1O MCULE-6031430878 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.5 C[C@@H]1CCNC[C@H]1O MCULE-8311134495 [2,0,0,0,0,0|2,0,0]=4 350 B8R1.5 C[C@@H]1CNCC[C@H]1O MCULE-1211656855 [2,0,0,0,0,0|2,0,0]=4 351 B8R1.5 C[C@@H]1CNCC[C@H]1O MCULE-8887033073 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.5 C[C@@H]1COCC[C@@H]1N MCULE-1854737385 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.5 C[C@@H]1COCC[C@@H]1N MCULE-5272955365 [2,0,0,0,0,0|2,0,0]=4 354 B8R1.5 C[C@@H]1COCC[C@H]1N MCULE-1385721208 [2,0,0,0,0,0|2,0,0]=4 355 B8R1.5 C[C@@H]1COCC[C@H]1N MCULE-1584947952 [2,0,0,0,0,0|2,0,0]=4 356 B8R1.5 C[C@@H]1COCC[C@H]1N MCULE-3448920251 [2,0,0,0,0,0|2,0,0]=4 357 B8R1.5 C[C@@H]1COCC[C@H]1N MCULE-7256484712 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.5 C[C@@H]1NCCC[C@H]1O MCULE-4565116334 [2,0,0,0,0,0|2,0,0]=4 359 B8R1.5 C[C@H]1CCCC[C@@H]1O MCULE-4879328575 [2,0,0,0,0,0|2,0,0]=4 360 B8R1.5 C[C@H]1CCCC[C@@H]1O MCULE-7331434797 [2,0,0,0,0,0|2,0,0]=4 361 B8R1.5 C[C@H]1CCNC[C@@H]1O MCULE-2413866964 [2,0,0,0,0,0|2,0,0]=4 362 B8R1.5 C[C@H]1CCNC[C@@H]1O MCULE-3541397142 [2,0,0,0,0,0|2,0,0]=4 363 B8R1.5 C[C@H]1CCNC[C@@H]1O MCULE-4524645861 [2,0,0,0,0,0|2,0,0]=4 364 B8R1.5 C[C@H]1CCNC[C@@H]1O MCULE-4989324272 [2,0,0,0,0,0|2,0,0]=4 365 B8R1.5 C[C@H]1CCNC[C@H]1O MCULE-6149485279 [2,0,0,0,0,0|2,0,0]=4 366 B8R1.5 C[C@H]1CCNC[C@H]1O MCULE-9609136161 [2,0,0,0,0,0|2,0,0]=4 367 B8R1.5 C[C@H]1CNCC[C@@H]1O MCULE-1418189839 [2,0,0,0,0,0|2,0,0]=4 368 B8R1.5 C[C@H]1CNCC[C@@H]1O MCULE-2162007646 [2,0,0,0,0,0|2,0,0]=4 369 B8R1.5 C[C@H]1CNCC[C@@H]1O MCULE-4884869364 [2,0,0,0,0,0|2,0,0]=4 370 B8R1.5 C[C@H]1CNCC[C@@H]1O MCULE-9707177849 [2,0,0,0,0,0|2,0,0]=4 371 B8R1.5 C[C@H]1CNCC[C@H]1O MCULE-1909814972 [2,0,0,0,0,0|2,0,0]=4 372 B8R1.5 C[C@H]1CNCC[C@H]1O MCULE-8202226496 [2,0,0,0,0,0|2,0,0]=4 373 B8R1.5 C[C@H]1CNCC[C@H]1O MCULE-9674887824 [2,0,0,0,0,0|2,0,0]=4 374 B8R1.5 C[C@H]1CNCC[C@H]1O MCULE-9888495251 [2,0,0,0,0,0|2,0,0]=4 375 B8R1.5 C[C@H]1COCC[C@@H]1N MCULE-3420685614 [2,0,0,0,0,0|2,0,0]=4 376 B8R1.5 C[C@H]1COCC[C@@H]1N MCULE-4495690357 [2,0,0,0,0,0|2,0,0]=4 377 B8R1.5 C[C@H]1COCC[C@@H]1N MCULE-9724547988 [2,0,0,0,0,0|2,0,0]=4 378 B8R1.5 C[C@H]1COCC[C@@H]1N MCULE-9889716251 [2,0,0,0,0,0|2,0,0]=4 379 B8R1.5 C[C@H]1COCC[C@H]1N MCULE-3075216082 [2,0,0,0,0,0|2,0,0]=4 380 B8R1.5 C[C@H]1COCC[C@H]1N MCULE-4276602047 [2,0,0,0,0,0|2,0,0]=4 381 B8R1.5 C[C@H]1COCC[C@H]1N MCULE-6090606114 [2,0,0,0,0,0|2,0,0]=4 382 B8R1.5 C[C@H]1COCC[C@H]1N MCULE-6610603811 [2,0,0,0,0,0|2,0,0]=4 383 B8R1.5 C[C@H]1NCCC[C@@H]1O MCULE-4581708846 [2,0,0,0,0,0|2,0,0]=4 384 B8R1.5 NC1CCCCC1O MCULE-1427424523 [2,0,0,0,0,0|2,0,0]=4 385 B8R1.5 NC1CCCCC1O MCULE-2793336591 [2,0,0,0,0,0|2,0,0]=4 386 B8R1.5 NC1CCNCC1O MCULE-2705091841 [2,0,0,0,0,0|2,0,0]=4 387 B8R1.5 NC1CCOCC1F MCULE-1016932578 [2,0,0,0,0,0|2,0,0]=4 388 B8R1.5 NC1CCOCC1F MCULE-9622790392 [2,0,0,0,0,0|2,0,0]=4 389 B8R1.5 NC1CCOCC1O MCULE-2815184899 [2,0,0,0,0,0|1,0,0]=3 390 B8R1.5 NC1CCOCC1O MCULE-4548392204 [2,0,0,0,0,0|1,0,0]=3 391 B8R1.5 NC1COCCC1F MCULE-1455837903 [2,0,0,0,0,0|2,0,0]=4 392 B8R1.5 NC1COCCC1F MCULE-7145252320 [2,0,0,0,0,0|2,0,0]=4 393 B8R1.5 NC1COCCC1O MCULE-6374385354 [2,0,0,0,0,0|1,0,0]=3 394 B8R1.5 NC1COCCC1O MCULE-7944406292 [2,0,0,0,0,0|1,0,0]=3 395 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-2753918610 [2,0,0,0,0,0|2,0,0]=4 396 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-2761271370 [2,0,0,0,0,0|2,0,0]=4 397 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-4978213189 [2,0,0,0,0,0|2,0,0]=4 398 B8R1.5 N[C@@H]1CCCC[C@@H]1O MCULE-9182719952 [2,0,0,0,0,0|2,0,0]=4 399 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-1509174959 [2,0,0,0,0,0|2,0,0]=4 400 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-2336529349 [2,0,0,0,0,0|2,0,0]=4 401 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-4732604931 [2,0,0,0,0,0|2,0,0]=4 402 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-6124510830 [2,0,0,0,0,0|2,0,0]=4 403 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-7301593250 [2,0,0,0,0,0|2,0,0]=4 404 B8R1.5 N[C@@H]1CCCC[C@H]1O MCULE-8501577810 [2,0,0,0,0,0|2,0,0]=4 405 B8R1.5 N[C@@H]1CCNC[C@H]1O MCULE-1435526553 [2,0,0,0,0,0|2,0,0]=4 406 B8R1.5 N[C@@H]1CCNC[C@H]1O MCULE-8731873892 [2,0,0,0,0,0|2,0,0]=4 407 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-1239747130 [2,0,0,0,0,0|2,0,0]=4 408 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-2720196545 [2,0,0,0,0,0|2,0,0]=4 409 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-4681308404 [2,0,0,0,0,0|2,0,0]=4 410 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-5510784592 [2,0,0,0,0,0|2,0,0]=4 411 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-6118396691 [2,0,0,0,0,0|2,0,0]=4 412 B8R1.5 N[C@@H]1CCOC[C@@H]1F MCULE-9001277868 [2,0,0,0,0,0|2,0,0]=4 413 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-1888816293 [2,0,0,0,0,0|1,0,0]=3 414 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-3667258867 [2,0,0,0,0,0|1,0,0]=3 415 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-3915823883 [2,0,0,0,0,0|1,0,0]=3 416 B8R1.5 N[C@@H]1CCOC[C@@H]1O MCULE-9959521476 [2,0,0,0,0,0|1,0,0]=3 417 B8R1.5 N[C@@H]1CCOC[C@H]1F MCULE-3556707940 [2,0,0,0,0,0|2,0,0]=4 418 B8R1.5 N[C@@H]1CCOC[C@H]1F MCULE-4525092522 [2,0,0,0,0,0|2,0,0]=4 419 B8R1.5 N[C@@H]1CCOC[C@H]1F MCULE-7086756183 [2,0,0,0,0,0|2,0,0]=4 420 B8R1.5 N[C@@H]1CCOC[C@H]1F MCULE-8506007792 [2,0,0,0,0,0|2,0,0]=4 421 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-1071839837 [2,0,0,0,0,0|1,0,0]=3 422 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-6051401821 [2,0,0,0,0,0|1,0,0]=3 423 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-7013720281 [2,0,0,0,0,0|1,0,0]=3 424 B8R1.5 N[C@@H]1CCOC[C@H]1O MCULE-8477518337 [2,0,0,0,0,0|1,0,0]=3 425 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-1031623201 [2,0,0,0,0,0|1,0,0]=3 426 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-2846030882 [2,0,0,0,0,0|1,0,0]=3 427 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-8863364874 [2,0,0,0,0,0|1,0,0]=3 428 B8R1.5 N[C@@H]1COCC[C@@H]1O MCULE-9836639365 [2,0,0,0,0,0|1,0,0]=3 429 B8R1.5 N[C@@H]1COCC[C@H]1F MCULE-2318671918 [2,0,0,0,0,0|2,0,0]=4 430 B8R1.5 N[C@@H]1COCC[C@H]1F MCULE-3695420668 [2,0,0,0,0,0|2,0,0]=4 431 B8R1.5 N[C@@H]1COCC[C@H]1F MCULE-6955873978 [2,0,0,0,0,0|2,0,0]=4 432 B8R1.5 N[C@@H]1COCC[C@H]1F MCULE-8343413560 [2,0,0,0,0,0|2,0,0]=4 433 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-4436769496 [2,0,0,0,0,0|1,0,0]=3 434 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-6163244980 [2,0,0,0,0,0|1,0,0]=3 435 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-8697534407 [2,0,0,0,0,0|1,0,0]=3 436 B8R1.5 N[C@@H]1COCC[C@H]1O MCULE-9625047427 [2,0,0,0,0,0|1,0,0]=3 437 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-1277967673 [2,0,0,0,0,0|2,0,0]=4 438 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-1301750612 [2,0,0,0,0,0|2,0,0]=4 439 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-3861922722 [2,0,0,0,0,0|2,0,0]=4 440 B8R1.5 N[C@H]1CCCC[C@@H]1O MCULE-8489439004 [2,0,0,0,0,0|2,0,0]=4 441 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-1599409645 [2,0,0,0,0,0|2,0,0]=4 442 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-3318800690 [2,0,0,0,0,0|2,0,0]=4 443 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-4235445104 [2,0,0,0,0,0|2,0,0]=4 444 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-6518289705 [2,0,0,0,0,0|2,0,0]=4 445 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-6606691116 [2,0,0,0,0,0|2,0,0]=4 446 B8R1.5 N[C@H]1CCCC[C@H]1O MCULE-9979333085 [2,0,0,0,0,0|2,0,0]=4 447 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-1493875164 [2,0,0,0,0,0|2,0,0]=4 448 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-2102376472 [2,0,0,0,0,0|2,0,0]=4 449 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-6109633704 [2,0,0,0,0,0|2,0,0]=4 450 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-7337274868 [2,0,0,0,0,0|2,0,0]=4 451 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-9740357152 [2,0,0,0,0,0|2,0,0]=4 452 B8R1.5 N[C@H]1CCOC[C@@H]1F MCULE-9831607120 [2,0,0,0,0,0|2,0,0]=4 453 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-1217623714 [2,0,0,0,0,0|1,0,0]=3 454 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-4607259008 [2,0,0,0,0,0|1,0,0]=3 455 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-4749541215 [2,0,0,0,0,0|1,0,0]=3 456 B8R1.5 N[C@H]1CCOC[C@@H]1O MCULE-9683658087 [2,0,0,0,0,0|1,0,0]=3 457 B8R1.5 N[C@H]1CCOC[C@H]1F MCULE-1550590585 [2,0,0,0,0,0|2,0,0]=4 458 B8R1.5 N[C@H]1CCOC[C@H]1F MCULE-4067592428 [2,0,0,0,0,0|2,0,0]=4 459 B8R1.5 N[C@H]1CCOC[C@H]1F MCULE-4649837852 [2,0,0,0,0,0|2,0,0]=4 460 B8R1.5 N[C@H]1CCOC[C@H]1F MCULE-6334068028 [2,0,0,0,0,0|2,0,0]=4 461 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-1807586879 [2,0,0,0,0,0|1,0,0]=3 462 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-1937023434 [2,0,0,0,0,0|1,0,0]=3 463 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-4374635229 [2,0,0,0,0,0|1,0,0]=3 464 B8R1.5 N[C@H]1CCOC[C@H]1O MCULE-4873019238 [2,0,0,0,0,0|1,0,0]=3 465 B8R1.5 N[C@H]1COCC[C@@H]1O MCULE-1937054893 [2,0,0,0,0,0|1,0,0]=3 466 B8R1.5 N[C@H]1COCC[C@@H]1O MCULE-4877924283 [2,0,0,0,0,0|1,0,0]=3 467 B8R1.5 N[C@H]1COCC[C@@H]1O MCULE-6674323819 [2,0,0,0,0,0|1,0,0]=3 468 B8R1.5 N[C@H]1COCC[C@H]1O MCULE-7305089306 [2,0,0,0,0,0|1,0,0]=3 469 B8R1.5 N[C@H]1COCC[C@H]1O MCULE-8372108333 [2,0,0,0,0,0|1,0,0]=3 470 B8R1.5 O=C1CCOCC1O MCULE-7032874317 [2,0,0,0,0,0|0,0,2]=4 471 B8R1.5 O=C1OCCCC1O MCULE-3021418071 [2,0,0,0,0,0|0,0,2]=4 472 B8R1.5 OC1CCCCC1Cl MCULE-8650942069 [2,0,0,0,0,0|2,0,0]=4 473 B8R1.5 OC1CCCCC1F MCULE-7634543650 [2,0,0,0,0,0|2,0,0]=4 474 B8R1.5 OC1CCCCC1O MCULE-2967360901 [2,0,0,0,0,0|1,0,0]=3 475 B8R1.5 OC1CCNCC1F MCULE-3466397366 [2,0,0,0,0,0|2,0,0]=4 476 B8R1.5 OC1CCNCC1F MCULE-8065194779 [2,0,0,0,0,0|2,0,0]=4 477 B8R1.5 OC1CCNCC1O MCULE-3039573850 [2,0,0,0,0,0|1,0,0]=3 478 B8R1.5 OC1CCNCC1O MCULE-8828122539 [2,0,0,0,0,0|1,0,0]=3 479 B8R1.5 OC1CCOCC1F MCULE-6531880501 [2,0,0,0,0,0|1,0,0]=3 480 B8R1.5 OC1CNCCC1F MCULE-2946280821 [2,0,0,0,0,0|2,0,0]=4 481 B8R1.5 OC1CNCCC1F MCULE-3493148821 [2,0,0,0,0,0|2,0,0]=4 482 B8R1.5 OC1CSSCC1O MCULE-3716589710 [2,0,0,0,0,0|1,1,0]=4 483 B8R1.5 OC1OCCOC1O MCULE-9891879099 [2,0,0,0,0,0|1,0,0]=3 484 B8R1.5 O[C@@H]1CCCC[C@H]1F MCULE-2305949625 [2,0,0,0,0,0|2,0,0]=4 485 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-3067807104 [2,0,0,0,0,0|1,0,0]=3 486 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-3429096841 [2,0,0,0,0,0|1,0,0]=3 487 B8R1.5 O[C@@H]1CCCC[C@H]1O MCULE-9892753066 [2,0,0,0,0,0|1,0,0]=3 488 B8R1.5 O[C@@H]1CCCC[C@H]1S MCULE-6222162383 [2,0,0,0,0,0|1,1,0]=4 489 B8R1.5 O[C@@H]1CCNC[C@@H]1F MCULE-3951980250 [2,0,0,0,0,0|2,0,0]=4 490 B8R1.5 O[C@@H]1CCNC[C@@H]1F MCULE-4022160407 [2,0,0,0,0,0|2,0,0]=4 491 B8R1.5 O[C@@H]1CCNC[C@@H]1F MCULE-7163743424 [2,0,0,0,0,0|2,0,0]=4 492 B8R1.5 O[C@@H]1CCNC[C@@H]1F MCULE-9380154478 [2,0,0,0,0,0|2,0,0]=4 493 B8R1.5 O[C@@H]1CCNC[C@H]1F MCULE-2399390264 [2,0,0,0,0,0|2,0,0]=4 494 B8R1.5 O[C@@H]1CCNC[C@H]1F MCULE-6405573375 [2,0,0,0,0,0|2,0,0]=4 495 B8R1.5 O[C@@H]1CCNC[C@H]1F MCULE-7590255724 [2,0,0,0,0,0|2,0,0]=4 496 B8R1.5 O[C@@H]1CCNC[C@H]1F MCULE-8845231230 [2,0,0,0,0,0|2,0,0]=4 497 B8R1.5 O[C@@H]1CCNC[C@H]1O MCULE-3688872623 [2,0,0,0,0,0|1,0,0]=3 498 B8R1.5 O[C@@H]1CCNC[C@H]1O MCULE-5098984807 [2,0,0,0,0,0|1,0,0]=3 499 B8R1.5 O[C@@H]1CCOC[C@@H]1F MCULE-1035298575 [2,0,0,0,0,0|1,0,0]=3 500 B8R1.5 O[C@@H]1CCOC[C@@H]1F MCULE-7549327189 [2,0,0,0,0,0|1,0,0]=3 501 B8R1.5 O[C@@H]1CCOC[C@H]1F MCULE-5919881662 [2,0,0,0,0,0|1,0,0]=3 502 B8R1.5 O[C@@H]1CNCC[C@@H]1F MCULE-1622561753 [2,0,0,0,0,0|2,0,0]=4 503 B8R1.5 O[C@@H]1CNCC[C@@H]1F MCULE-6945313787 [2,0,0,0,0,0|2,0,0]=4 504 B8R1.5 O[C@@H]1CNCC[C@H]1F MCULE-3612777118 [2,0,0,0,0,0|2,0,0]=4 505 B8R1.5 O[C@@H]1CNCC[C@H]1F MCULE-5621905223 [2,0,0,0,0,0|2,0,0]=4 506 B8R1.5 O[C@@H]1CNCC[C@H]1F MCULE-6188298332 [2,0,0,0,0,0|2,0,0]=4 507 B8R1.5 O[C@@H]1CNCC[C@H]1F MCULE-7586426338 [2,0,0,0,0,0|2,0,0]=4 508 B8R1.5 O[C@@H]1CSSC[C@H]1O MCULE-2981026113 [2,0,0,0,0,0|1,1,0]=4 509 B8R1.5 O[C@H]1CCCC[C@@H]1F MCULE-7833708338 [2,0,0,0,0,0|2,0,0]=4 510 B8R1.5 O[C@H]1CCCC[C@@H]1O MCULE-7078207162 [2,0,0,0,0,0|1,0,0]=3 511 B8R1.5 O[C@H]1CCCC[C@@H]1O MCULE-9836847707 [2,0,0,0,0,0|1,0,0]=3 512 B8R1.5 O[C@H]1CCCC[C@H]1Br MCULE-8133807743 [2,0,0,0,0,0|2,0,0]=4 513 B8R1.5 O[C@H]1CCCC[C@H]1O MCULE-3539097516 [2,0,0,0,0,0|1,0,0]=3 514 B8R1.5 O[C@H]1CCNC[C@@H]1F MCULE-1808200479 [2,0,0,0,0,0|2,0,0]=4 515 B8R1.5 O[C@H]1CCNC[C@@H]1F MCULE-5879546904 [2,0,0,0,0,0|2,0,0]=4 516 B8R1.5 O[C@H]1CCNC[C@@H]1F MCULE-7720582046 [2,0,0,0,0,0|2,0,0]=4 517 B8R1.5 O[C@H]1CCNC[C@@H]1F MCULE-9733376385 [2,0,0,0,0,0|2,0,0]=4 518 B8R1.5 O[C@H]1CCNC[C@@H]1O MCULE-1740802653 [2,0,0,0,0,0|1,0,0]=3 519 B8R1.5 O[C@H]1CCNC[C@@H]1O MCULE-5396588753 [2,0,0,0,0,0|1,0,0]=3 520 B8R1.5 O[C@H]1CCNC[C@@H]1O MCULE-6762598540 [2,0,0,0,0,0|1,0,0]=3 521 B8R1.5 O[C@H]1CCNC[C@@H]1O MCULE-9747818285 [2,0,0,0,0,0|1,0,0]=3 522 B8R1.5 O[C@H]1CCNC[C@H]1F MCULE-2742864171 [2,0,0,0,0,0|2,0,0]=4 523 B8R1.5 O[C@H]1CCNC[C@H]1F MCULE-4720397627 [2,0,0,0,0,0|2,0,0]=4 524 B8R1.5 O[C@H]1CCNC[C@H]1F MCULE-7747536704 [2,0,0,0,0,0|2,0,0]=4 525 B8R1.5 O[C@H]1CCNC[C@H]1F MCULE-9341492038 [2,0,0,0,0,0|2,0,0]=4 526 B8R1.5 O[C@H]1CCNC[C@H]1O MCULE-2865586489 [2,0,0,0,0,0|1,0,0]=3 527 B8R1.5 O[C@H]1CCNC[C@H]1O MCULE-6097537639 [2,0,0,0,0,0|1,0,0]=3 528 B8R1.5 O[C@H]1CCNC[C@H]1O MCULE-8152004203 [2,0,0,0,0,0|1,0,0]=3 529 B8R1.5 O[C@H]1CCNC[C@H]1O MCULE-8500578666 [2,0,0,0,0,0|1,0,0]=3 530 B8R1.5 O[C@H]1CCOC[C@@H]1F MCULE-6227313100 [2,0,0,0,0,0|1,0,0]=3 531 B8R1.5 O[C@H]1CCOC[C@@H]1F MCULE-8454301102 [2,0,0,0,0,0|1,0,0]=3 532 B8R1.5 O[C@H]1CCOC[C@H]1F MCULE-6598998730 [2,0,0,0,0,0|1,0,0]=3 533 B8R1.5 O[C@H]1CCOC[C@H]1F MCULE-7224746770 [2,0,0,0,0,0|1,0,0]=3 534 B8R1.5 O[C@H]1CCOC[C@H]1F MCULE-7648243504 [2,0,0,0,0,0|1,0,0]=3 535 B8R1.5 O[C@H]1CNCC[C@@H]1F MCULE-1003695930 [2,0,0,0,0,0|2,0,0]=4 536 B8R1.5 O[C@H]1CNCC[C@@H]1F MCULE-2595427193 [2,0,0,0,0,0|2,0,0]=4 537 B8R1.5 O[C@H]1CNCC[C@@H]1F MCULE-4420509139 [2,0,0,0,0,0|2,0,0]=4 538 B8R1.5 O[C@H]1CNCC[C@H]1F MCULE-1178411420 [2,0,0,0,0,0|2,0,0]=4 539 B8R1.5 O[C@H]1CNCC[C@H]1F MCULE-1550810398 [2,0,0,0,0,0|2,0,0]=4 540 B8R1.5 O[C@H]1CNCC[C@H]1F MCULE-9461941348 [2,0,0,0,0,0|2,0,0]=4 541 B8R1.5 O[C@H]1CNCC[C@H]1F MCULE-9787124381 [2,0,0,0,0,0|2,0,0]=4 542 B8R1.5 O[C@H]1CNCC[C@H]1O MCULE-2884977174 [2,0,0,0,0,0|1,0,0]=3 543 B8R1.5 O[C@H]1CNCC[C@H]1O MCULE-4059971580 [2,0,0,0,0,0|1,0,0]=3 544 B8R1.5 O[C@H]1CNCC[C@H]1O MCULE-4860264041 [2,0,0,0,0,0|1,0,0]=3 545 B8R1.5 O[C@H]1CNCC[C@H]1O MCULE-5794552949 [2,0,0,0,0,0|1,0,0]=3 546 B8R1.5 O[C@H]1CNNC[C@@H]1O MCULE-7867785160 [2,0,0,0,0,0|2,0,0]=4 547 B8R1.5 O[C@H]1CSSC[C@@H]1O MCULE-2785197932 [2,0,0,0,0,0|1,1,0]=4 548 B8R1.5 O[C@H]1CSSC[C@@H]1O MCULE-5975753187 [2,0,0,0,0,0|1,1,0]=4 549 B8R1.5 [C@@H]1(CCNC[C@@H]1F)O MCULE-4552431818 [2,0,0,0,0,0|2,0,0]=4 550 B8R1.5 [C@@H]1(CCNC[C@@H]1F)O MCULE-6293331305 [2,0,0,0,0,0|2,0,0]=4 551 B8R1.5 [C@@H]1(CCNC[C@H]1F)O MCULE-2598494094 [2,0,0,0,0,0|2,0,0]=4 552 B8R1.5 [C@@H]1(CCNC[C@H]1F)O MCULE-9897987946 [2,0,0,0,0,0|2,0,0]=4 553 B8R1.5 [C@@H]1(CCNC[C@H]1O)C MCULE-2307148539 [2,0,0,0,0,0|2,0,0]=4 554 B8R1.5 [C@@H]1(CCNC[C@H]1O)C MCULE-7550947729 [2,0,0,0,0,0|2,0,0]=4 555 B8R1.5 [C@@H]1(CCOC[C@@H]1O)N MCULE-2201413833 [2,0,0,0,0,0|1,0,0]=3 556 B8R1.5 [C@@H]1(CCOC[C@H]1N)O MCULE-7745052941 [2,0,0,0,0,0|1,0,0]=3 557 B8R1.5 [C@@H]1(CNCC[C@@H]1F)O MCULE-6806325155 [2,0,0,0,0,0|2,0,0]=4 558 B8R1.5 [C@@H]1(CNCC[C@@H]1F)O MCULE-8351727587 [2,0,0,0,0,0|2,0,0]=4 559 B8R1.5 [C@@H]1(CNCC[C@@H]1F)O MCULE-9141886243 [2,0,0,0,0,0|2,0,0]=4 560 B8R1.5 [C@@H]1(CNCC[C@H]1O)O MCULE-7522153539 [2,0,0,0,0,0|1,0,0]=3 561 B8R1.5 [C@@H]1(CNCC[C@H]1O)O MCULE-8922491067 [2,0,0,0,0,0|1,0,0]=3 562 B8R1.5 [C@@H]1(COCC[C@@H]1O)N MCULE-2864950342 [2,0,0,0,0,0|1,0,0]=3 563 B8R1.5 [C@H]1(CCCC[C@H]1F)O MCULE-7751753244 [2,0,0,0,0,0|2,0,0]=4 564 B8R1.5 [C@H]1(CCNC[C@H]1O)O MCULE-2825513554 [2,0,0,0,0,0|1,0,0]=3 565 B8R1.5 [C@H]1(CCNC[C@H]1O)O MCULE-3902017522 [2,0,0,0,0,0|1,0,0]=3 566 B8R1.5 [C@H]1(CCOC[C@@H]1O)N MCULE-3291339796 [2,0,0,0,0,0|1,0,0]=3 567 B8R1.5 [C@H]1(CCOC[C@@H]1O)N MCULE-5641035715 [2,0,0,0,0,0|1,0,0]=3 568 B8R1.5 [C@H]1(CNCC[C@H]1C)O MCULE-8053222550 [2,0,0,0,0,0|2,0,0]=4 569 B8R1.5 [C@H]1(CNCC[C@H]1C)O MCULE-9640568177 [2,0,0,0,0,0|2,0,0]=4 570 B8R1.5 [C@H]1(CNCC[C@H]1O)C MCULE-1419969909 [2,0,0,0,0,0|2,0,0]=4 571 B8R1.5 [C@H]1(CNCC[C@H]1O)C MCULE-1584116117 [2,0,0,0,0,0|2,0,0]=4 572 B8R1.5 [C@H]1(CNCC[C@H]1O)C MCULE-2275992252 [2,0,0,0,0,0|2,0,0]=4 573 B8R1.5 [C@H]1(CNCC[C@H]1O)C MCULE-4151833845 [2,0,0,0,0,0|2,0,0]=4 574 B8R1.5 [C@H]1(COCC[C@H]1N)C MCULE-2786096186 [2,0,0,0,0,0|2,0,0]=4 575 B8R1.5 [C@H]1(COCC[C@H]1N)C MCULE-3516272365 [2,0,0,0,0,0|2,0,0]=4 576 B8R1.5 [C@H]1(COCC[C@H]1N)O MCULE-2088495989 [2,0,0,0,0,0|1,0,0]=3 577 B8R1.5 [C@H]1(COCC[C@H]1O)N MCULE-5409068801 [2,0,0,0,0,0|1,0,0]=3 578 B8R1.3 CC1CCC(CC1)O MCULE-7501628471 [2,0,0,0,0,0|2,0,0]=4 579 B8R1.3 CC1CCC(CN1)O MCULE-1965969511 [2,0,0,0,0,0|2,0,0]=4 580 B8R1.3 CC1CCC(CN1)O MCULE-8922826910 [2,0,0,0,0,0|2,0,0]=4 581 B8R1.3 CC1CCC(CO1)O MCULE-8416383333 [2,0,0,0,0,0|1,0,0]=3 582 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-1181513126 [2,0,0,0,0,0|2,0,0]=4 583 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-1902739569 [2,0,0,0,0,0|2,0,0]=4 584 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-4923873245 [2,0,0,0,0,0|2,0,0]=4 585 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-5091971479 [2,0,0,0,0,0|2,0,0]=4 586 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-7440788820 [2,0,0,0,0,0|2,0,0]=4 587 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-8869692501 [2,0,0,0,0,0|2,0,0]=4 588 B8R1.3 C[C@@H]1CC[C@H](CN1)O MCULE-8099689887 [2,0,0,0,0,0|2,0,0]=4 589 B8R1.3 C[C@@H]1CC[C@H](CN1)O MCULE-8746216012 [2,0,0,0,0,0|2,0,0]=4 590 B8R1.3 C[C@@H]1CC[C@H](CN1)O MCULE-9870191339 [2,0,0,0,0,0|2,0,0]=4 591 B8R1.3 C[C@H]1CC[C@@H](CC1)O MCULE-9131864343 [2,0,0,0,0,0|2,0,0]=4 592 B8R1.3 C[C@H]1CC[C@@H](CN1)O MCULE-4342382470 [2,0,0,0,0,0|2,0,0]=4 593 B8R1.3 C[C@H]1CC[C@@H](CN1)O MCULE-7588845174 [2,0,0,0,0,0|2,0,0]=4 594 B8R1.3 C[C@H]1CC[C@H](CC1)O MCULE-3495737054 [2,0,0,0,0,0|2,0,0]=4 595 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-1161766631 [2,0,0,0,0,0|2,0,0]=4 596 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-1646727489 [2,0,0,0,0,0|2,0,0]=4 597 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-4706855730 [2,0,0,0,0,0|2,0,0]=4 598 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-6031163394 [2,0,0,0,0,0|2,0,0]=4 599 B8R1.3 NC1CCC(CC1)O MCULE-8546049036 [2,0,0,0,0,0|2,0,0]=4 600 B8R1.3 NC1CCC(CC1)O MCULE-9716076284 [2,0,0,0,0,0|2,0,0]=4 601 B8R1.3 N[C@H]1CC[C@@H](CC1)O MCULE-5499393551 [2,0,0,0,0,0|2,0,0]=4 602 B8R1.3 N[C@H]1CC[C@@H](CC1)O MCULE-8986905038 [2,0,0,0,0,0|2,0,0]=4 603 B8R1.3 N[C@H]1CC[C@H](CC1)O MCULE-2039471973 [2,0,0,0,0,0|2,0,0]=4 604 B8R1.3 N[C@H]1CC[C@H](CC1)O MCULE-9845054375 [2,0,0,0,0,0|2,0,0]=4 605 B8R1.3 O=C1CCC(CO1)O MCULE-6372408261 [2,0,0,0,0,0|0,0,2]=4 606 B8R1.3 OC1CCC(CC1)Br MCULE-8198901639 [2,0,0,0,0,0|2,0,0]=4 607 B8R1.3 OC1CCC(CC1)Cl MCULE-2412299435 [2,0,0,0,0,0|2,0,0]=4 608 B8R1.3 OC1CCC(CC1)F MCULE-6919245281 [2,0,0,0,0,0|2,0,0]=4 609 B8R1.3 OC1CCC(CC1)O MCULE-1213045312 [2,0,0,0,0,0|1,0,0]=3 610 B8R1.3 OC1COC(CO1)O MCULE-6794444946 [2,0,0,0,0,0|1,0,0]=3 611 B8R1.3 OC1CSC(CS1)O MCULE-1661511057 [2,0,0,0,0,0|1,1,0]=4 612 B8R1.3 O[C@@H]1C=C[C@H](CC1)O MCULE-6358884039 [2,0,0,0,0,0|1,0,1]=4 613 B8R1.3 O[C@H]1C=C[C@@H](CC1)O MCULE-2727087872 [2,0,0,0,0,0|1,0,1]=4 614 B8R1.3 O[C@H]1C=C[C@@H](CC1)O MCULE-9017888653 [2,0,0,0,0,0|1,0,1]=4 615 B8R1.3 O[C@H]1CC[C@@H](CC1)O MCULE-5169653700 [2,0,0,0,0,0|1,0,0]=3 616 B8R1.3 O[C@H]1CC[C@H](CC1)O MCULE-1269237683 [2,0,0,0,0,0|1,0,0]=3 617 B10R0.35 OC[C@@H](O)[C@@H](O)[C@@H](O)C=NO MCULE-6034687740 [0,1,1,0,0,0|2,0,0]=4 618 B10R0.46 O=C(CO)C[C@H](O)[C@H](O)CO MCULE-5417003070 [0,1,1,0,0,0|1,0,0]=3 619 B10R0.83 CCCCCC(O)C(O)CO MCULE-9228799760 [0,1,1,0,0,0|2,0,0]=4 620 B10R0.56 C(C)(O)C(O)C(O)C(O)CO MCULE-2198142963 [0,1,1,0,0,0|0,0,0]=2 621 B10R0.56 CC(=O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-9778088155 [0,1,1,0,0,0|1,0,0]=3 622 B10R0.56 CC(O)C(O)C(O)C(=O)CO MCULE-2886927565 [0,1,1,0,0,0|0,0,2]=4 623 B10R0.56 CC(O)C(O)C(O)C(O)C=O MCULE-6097578080 [0,1,1,0,0,0|0,0,2]=4 624 B10R0.56 C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O MCULE-3517544145 [0,1,1,0,0,0|0,0,2]=4 625 B10R0.56 C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C=O MCULE-1903409422 [0,1,1,0,0,0|0,0,2]=4 626 B10R0.56 C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O MCULE-2616646896 [0,1,1,0,0,0|0,0,2]=4 627 B10R0.56 C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O MCULE-4428571629 [0,1,1,0,0,0|0,0,2]=4 628 B10R0.56 C[C@H](O)[C@@H](O)[C@@H](O)C(=O)CO MCULE-3348912936 [0,1,1,0,0,0|0,0,2]=4 629 B10R0.56 C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C=O MCULE-8790889816 [0,1,1,0,0,0|0,0,2]=4 630 B10R0.56 C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O MCULE-2861923121 [0,1,1,0,0,0|0,0,2]=4 631 B10R0.56 C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O MCULE-8537687861 [0,1,1,0,0,0|0,0,2]=4 632 B10R0.56 C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O MCULE-9991352135 [0,1,1,0,0,0|0,0,2]=4 633 B10R0.56 C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-1145165954 [0,1,1,0,0,0|0,0,0]=2 634 B10R0.56 C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-6618585762 [0,1,1,0,0,0|0,0,0]=2 635 B10R0.56 C[C@H](O)[C@@H](O)[C@H](O)C(=O)CO MCULE-9304342847 [0,1,1,0,0,0|0,0,2]=4 636 B10R0.56 C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O MCULE-2276964584 [0,1,1,0,0,0|0,0,2]=4 637 B10R0.56 C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O MCULE-3902075519 [0,1,1,0,0,0|0,0,2]=4 638 B10R0.56 C[C@H](O)[C@H](O)[C@H](O)C(=O)CO MCULE-4801729849 [0,1,1,0,0,0|0,0,2]=4 639 B10R0.56 O=C(O)C(O)C(O)C(O)CO MCULE-1338240271 [0,1,1,0,0,0|0,0,1]=3 640 B10R0.56 O=C(O)C(O)C(O)C(O)CO MCULE-4363749577 [0,1,1,0,0,0|0,0,1]=3 641 B10R0.56 O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)CO MCULE-9373817144 [0,1,1,0,0,0|0,0,1]=3 642 B10R0.56 O=C(O)[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-2779105414 [0,1,1,0,0,0|0,0,1]=3 643 B10R0.56 O=C(O)[C@@H](O)[C@H](O)[C@@H](O)CO MCULE-5681010723 [0,1,1,0,0,0|0,0,1]=3 644 B10R0.56 O=C(O)[C@@H](O)[C@H](O)[C@H](O)CO MCULE-7997735324 [0,1,1,0,0,0|0,0,1]=3 645 B10R0.56 O=C(O)[C@H](O)[C@@H](O)[C@H](O)CO MCULE-9899945314 [0,1,1,0,0,0|0,0,1]=3 646 B10R0.56 O=C(O)[C@H](O)[C@H](O)[C@H](O)CO MCULE-7616681724 [0,1,1,0,0,0|0,0,1]=3 647 B10R0.56 O=C([O-])C(O)C(O)C(O)CO MCULE-4342169432 [0,1,1,0,0,0|0,0,2]=4 648 B10R0.56 O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-1900135831 [0,1,1,0,0,0|0,0,2]=4 649 B10R0.56 O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-6201769573 [0,1,1,0,0,0|0,0,2]=4 650 B10R0.56 O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)CO MCULE-6879618844 [0,1,1,0,0,0|0,0,2]=4 651 B10R0.56 O=C([O-])[C@H](O)[C@@H](O)[C@H](O)CO MCULE-3794075484 [0,1,1,0,0,0|0,0,2]=4 652 B10R0.56 OCC(O)C(O)C(O)C(O)O MCULE-1815711796 [0,1,1,0,0,0|0,0,0]=2 653 B10R1.2 C1(C=COC(C1O)CO)O MCULE-4150827844 [1,1,0,0,0,0|0,0,2]=4 654 B10R1.2 CN[C@@H]1CCC[C@H]([C@@H]1O)O MCULE-2638179747 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.2 CO[C@@H]1CCC[C@H]([C@H]1O)N MCULE-6769712877 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.2 N[C@H]1CCO[C@@H]([C@H]1O)CO MCULE-3135160668 [1,1,0,0,0,0|1,0,0]=3 657 B10R1.2 N[C@H]1CCO[C@@H]([C@H]1O)CO MCULE-4840233170 [1,1,0,0,0,0|1,0,0]=3 658 B10R1.2 OC[C@H]1CNC[C@H]([C@@H]1O)O MCULE-5106848192 [1,1,0,0,0,0|1,0,0]=3 659 B10R1.2 OC[C@H]1CNC[C@H]([C@@H]1O)O MCULE-6551511352 [1,1,0,0,0,0|1,0,0]=3 660 B10R1.2 OC[C@H]1CNC[C@H]([C@@H]1O)O MCULE-8271266524 [1,1,0,0,0,0|1,0,0]=3 661 B10R1.2 OC[C@H]1NCC[C@H](C1O)O MCULE-3419174170 [1,1,0,0,0,0|1,0,0]=3 662 B10R1.2 OC[C@H]1NCC[C@H]([C@@H]1O)O MCULE-2511097258 [1,1,0,0,0,0|1,0,0]=3 663 B10R1.2 OC[C@H]1NCC[C@H]([C@@H]1O)O MCULE-5560787253 [1,1,0,0,0,0|1,0,0]=3 664 B10R1.2 OC[C@H]1OC=C[C@H]([C@@H]1O)O MCULE-2319652394 [1,1,0,0,0,0|0,0,2]=4 665 B10R1.2 OC[C@H]1OC=C[C@H]([C@@H]1O)O MCULE-8693280045 [1,1,0,0,0,0|0,0,2]=4 666 B10R1.2 OC[C@H]1OC=C[C@H]([C@H]1O)O MCULE-3153067382 [1,1,0,0,0,0|0,0,2]=4 667 B10R1.2 OC[C@H]1OC=C[C@H]([C@H]1O)O MCULE-5842959899 [1,1,0,0,0,0|0,0,2]=4 668 B10R1.22 CC1CC(C(C(O1)O)O)O MCULE-5231916221 [1,1,0,0,0,0|0,0,0]=2 669 B10R1.22 CC1OC(CC(C1O)N)O MCULE-4616714223 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.22 CC1OC(CC(C1O)N)O MCULE-5441966301 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.118 CC1OC(C(CC1O)O)O MCULE-8444631681 [1,1,0,0,0,0|0,0,0]=2 672 B10R1.118 C[C@H]1O[C@@H]([C@H](C[C@@H]1O)O)O MCULE-7302298301 [1,1,0,0,0,0|0,0,0]=2 673 B10R1.176 COC1CC(C(CO1)O)O MCULE-5630589307 [1,1,0,0,0,0|0,0,0]=2 674 B10R1.34 C=C1O[C@H]([C@@H]([C@@H]1O)O)OC MCULE-9037136761 [0,1,0,0,1,0|1,0,1]=4 675 B10R1.34 C[C@@H]1N[C@@H]([C@H]([C@H]1O)O)CO MCULE-1757530382 [0,1,0,0,1,0|2,0,0]=4 676 B10R1.34 NC1CC(C(C1O)O)CO MCULE-4781103038 [0,1,0,0,1,0|1,0,0]=3 677 B10R1.34 NC1CC(C(C1O)O)CO MCULE-9752985058 [0,1,0,0,1,0|1,0,0]=3 678 B10R1.34 NC[C@@H]1C[C@@H]([C@H]([C@H]1O)O)O MCULE-2863382493 [0,1,0,0,1,0|1,0,0]=3 679 B10R1.34 N[C@@H]1C[C@@H]([C@H]([C@H]1O)O)CO MCULE-6136081245 [0,1,0,0,1,0|1,0,0]=3 680 B10R1.34 N[C@@H]1C[C@@H]([C@H]([C@H]1O)O)CO MCULE-6555702533 [0,1,0,0,1,0|1,0,0]=3 681 B10R1.34 N[C@@H]1C[C@@H]([C@H]([C@H]1O)O)CO MCULE-6721976300 [0,1,0,0,1,0|1,0,0]=3 682 B10R1.34 N[C@@H]1C[C@@H]([C@H]([C@H]1O)O)CO MCULE-7773344673 [0,1,0,0,1,0|1,0,0]=3 683 B10R1.34 N[C@@H]1C[C@@H]([C@H]([C@H]1O)O)CO MCULE-9054312870 [0,1,0,0,1,0|1,0,0]=3 684 B10R1.34 N[C@@H]1C[C@@H]([C@H]([C@H]1O)O)CO MCULE-9159193440 [0,1,0,0,1,0|1,0,0]=3 685 B10R1.34 N[C@H]1C[C@H]([C@@H]([C@@H]1O)O)CO MCULE-1219204107 [0,1,0,0,1,0|1,0,0]=3 686 B10R1.34 N[C@H]1C[C@H]([C@@H]([C@@H]1O)O)CO MCULE-4690664029 [0,1,0,0,1,0|1,0,0]=3 687 B10R1.34 O=C1OC(C(C1O)O)CO MCULE-4992937478 [0,1,0,0,1,0|0,0,2]=4 688 B10R1.34 O=C1O[C@@H]([C@@H]([C@@H]1O)O)CO MCULE-4238222743 [0,1,0,0,1,0|0,0,2]=4 689 B10R1.34 O=C1O[C@@H]([C@@H]([C@@H]1O)O)CO MCULE-8746085882 [0,1,0,0,1,0|0,0,2]=4 690 B10R1.34 O=C1O[C@@H]([C@@H]([C@H]1O)O)CO MCULE-1302555586 [0,1,0,0,1,0|0,0,2]=4 691 B10R1.34 O=C1O[C@@H]([C@@H]([C@H]1O)O)CO MCULE-6947519194 [0,1,0,0,1,0|0,0,2]=4 692 B10R1.34 O=C1O[C@@H]([C@H]([C@@H]1O)O)CO MCULE-3419728176 [0,1,0,0,1,0|0,0,2]=4 693 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1O)O)CO MCULE-1946078293 [0,1,0,0,1,0|0,0,2]=4 694 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1O)O)CO MCULE-4119913524 [0,1,0,0,1,0|0,0,2]=4 695 B10R1.34 O=C1O[C@@H]([C@H]([C@H]1O)O)CO MCULE-7655191062 [0,1,0,0,1,0|0,0,2]=4 696 B10R1.34 O=C1O[C@H]([C@@H]([C@@H]1O)O)CO MCULE-9668504351 [0,1,0,0,1,0|0,0,2]=4 697 B10R1.34 O=C1O[C@H]([C@@H]([C@H]1O)O)CO MCULE-2196473829 [0,1,0,0,1,0|0,0,2]=4 698 B10R1.34 O=C1O[C@H]([C@@H]([C@H]1O)O)CO MCULE-2293188422 [0,1,0,0,1,0|0,0,2]=4 699 B10R1.34 O=C1O[C@H]([C@H]([C@H]1O)O)CO MCULE-7094668506 [0,1,0,0,1,0|0,0,2]=4 700 B10R1.34 O=C1O[C@H]([C@H]([C@H]1O)O)CO MCULE-8957458384 [0,1,0,0,1,0|0,0,2]=4 701 B10R1.34 OCC1OC(C(C1F)O)O MCULE-2681429625 [0,1,0,0,1,0|1,0,0]=3 702 B10R1.34 OCC1OC(C(C1O)F)O MCULE-2207660627 [0,1,0,0,1,0|1,0,0]=3 703 B10R1.34 OCC1OC(C(C1O)O)O MCULE-6940372378 [0,1,0,0,1,0|0,0,0]=2 704 B10R1.34 OC[C@H]1OC([C@@H]([C@H]1F)O)O MCULE-3142888978 [0,1,0,0,1,0|1,0,0]=3 705 B10R1.34 OC[C@H]1OC([C@H](C1O)O)O MCULE-7204456313 [0,1,0,0,1,0|0,0,0]=2 706 B10R1.34 OC[C@H]1OC([C@H]([C@@H]1O)O)O MCULE-4065300614 [0,1,0,0,1,0|0,0,0]=2 707 B10R1.34 OC[C@H]1O[C@@H]([C@@H]([C@@H]1O)O)O MCULE-5542181665 [0,1,0,0,1,0|0,0,0]=2 708 B10R1.34 OC[C@H]1O[C@@H]([C@H]([C@H]1O)O)O MCULE-9522337799 [0,1,0,0,1,0|0,0,0]=2 709 B10R1.34 OC[C@H]1O[C@H]([C@H]([C@H]1O)O)O MCULE-1427364722 [0,1,0,0,1,0|0,0,0]=2 710 B12R1.868 O=C1OC[C@H]([C@H]([C@@H]([C@H]1O)O)O)O MCULE-2852098862 [0,1,0,0,0,1|0,0,2]=4 711 B12R1.14 C#C[C@@H]1OC([C@H]([C@@H]([C@@H]1O)O)O)O MCULE-6047336188 [0,2,0,0,0,0|0,0,0]=2 712 B12R1.14 C1(OC(C(C(C1N)O)O)CO)O MCULE-2592797117 [0,2,0,0,0,0|1,0,0]=3 713 B12R1.14 C1(OC(C(C(C1N)O)O)CO)O MCULE-3334261618 [0,2,0,0,0,0|1,0,0]=3 714 B12R1.14 C1(OC(C(C(C1N)O)O)CO)O MCULE-8889939994 [0,2,0,0,0,0|1,0,0]=3 715 B12R1.14 C1(OC([C@H](C(C1O)O)O)CO)O MCULE-4034762102 [0,2,0,0,0,0|0,0,0]=2 716 B12R1.14 C1(OC([C@H](C(C1O)O)O)CO)O MCULE-8933396073 [0,2,0,0,0,0|0,0,0]=2 717 B12R1.14 COC1OC(C(C(C1O)O)O)C MCULE-7283331375 [0,2,0,0,0,0|0,0,0]=2 718 B12R1.14 COC1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C MCULE-5491800123 [0,2,0,0,0,0|0,0,0]=2 719 B12R1.14 COC1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C MCULE-9306444270 [0,2,0,0,0,0|0,0,0]=2 720 B12R1.14 COC1O[C@H]([C@H]([C@H]([C@@H]1O)O)O)C MCULE-1854257997 [0,2,0,0,0,0|0,0,0]=2 721 B12R1.14 CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C MCULE-9947012667 [0,2,0,0,0,0|0,0,0]=2 722 B12R1.14 CO[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C MCULE-1819408928 [0,2,0,0,0,0|0,0,0]=2 723 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N[C@H]1C(O[C@@H]([C@@H]([C@@H]1O)O)CO)O MCULE-1227973814 [0,2,0,0,0,0|1,0,0]=3 746 B12R1.14 N[C@H]1C(O[C@@H]([C@@H]([C@@H]1O)O)CO)O MCULE-4024179361 [0,2,0,0,0,0|1,0,0]=3 747 B12R1.14 N[C@H]1C(O[C@@H]([C@@H]([C@@H]1O)O)CO)O MCULE-8398354167 [0,2,0,0,0,0|1,0,0]=3 748 B12R1.14 N[C@H]1C(O[C@@H]([C@@H]([C@@H]1O)O)CO)O MCULE-8571327950 [0,2,0,0,0,0|1,0,0]=3 749 B12R1.14 N[C@H]1C(O[C@@H]([C@H]([C@@H]1O)O)CO)O MCULE-2661616867 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.14 N[C@H]1C(O[C@@H]([C@H]([C@@H]1O)O)CO)O MCULE-3530376443 [0,2,0,0,0,0|1,0,0]=3 751 B12R1.14 N[C@H]1C(O[C@@H]([C@H]([C@@H]1O)O)CO)O MCULE-4836923813 [0,2,0,0,0,0|1,0,0]=3 752 B12R1.14 N[C@H]1C(O[C@@H]([C@H]([C@@H]1O)O)CO)O MCULE-7534897648 [0,2,0,0,0,0|1,0,0]=3 753 B12R1.14 N[C@H]1C(O[C@@H]([C@H]([C@@H]1O)O)CO)O MCULE-8518959659 [0,2,0,0,0,0|1,0,0]=3 754 B12R1.14 N[C@H]1C(O[C@@H]([C@H]([C@@H]1O)O)CO)O MCULE-9093170166 [0,2,0,0,0,0|1,0,0]=3 755 B12R1.14 N[C@H]1C=C([C@H]([C@@H]([C@H]1O)O)O)CO MCULE-1756454169 [0,2,0,0,0,0|1,0,1]=4 756 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[C@H]1([C@H](C(O[C@@H]([C@H]1O)CO)O)O)F MCULE-4514897336 [0,2,0,0,0,0|1,0,0]=3 823 B12R1.14 [NH3+][C@@H]1C(O[C@@H]([C@H]([C@@H]1O)O)CO)O MCULE-3130801918 [0,2,0,0,0,0|1,0,0]=3 824 B12R1.98 CN1CC(C(C(C1CO)O)O)O MCULE-1108069058 [0,2,0,0,0,0|1,0,0]=3 825 B12R1.98 CN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O MCULE-1088863439 [0,2,0,0,0,0|1,0,0]=3 826 B12R1.98 CN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O MCULE-1632155572 [0,2,0,0,0,0|1,0,0]=3 827 B12R1.3795 O=C1C(C(C(C(C1O)O)O)O)O MCULE-8737051321 [0,2,0,0,0,0|1,0,0]=3 828 B12R1.3795 O=C1[C@H]([C@H]([C@H]([C@@H]([C@H]1O)O)O)O)O MCULE-5191073832 [0,2,0,0,0,0|1,0,0]=3 829 B12R1.3795 O[C@H]1[C@@H]([C@@H]([C@@H]([C@H]([C@H]1O)O)O)O)O MCULE-3083629685 [0,2,0,0,0,0|1,0,0]=3 830 B12R1.3795 O[C@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O MCULE-1142924517 [0,2,0,0,0,0|1,0,0]=3 831 B12R1.3795 O[C@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O MCULE-2727773046 [0,2,0,0,0,0|1,0,0]=3 832 B12R1.3795 O[C@H]1[C@@H]([C@@H]([C@H]([C@H]([C@H]1O)O)O)O)O MCULE-7510101805 [0,2,0,0,0,0|1,0,0]=3 833 B12R1.3795 O[C@H]1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1O)O)O)O)O MCULE-6964328641 [0,2,0,0,0,0|1,0,0]=3 834 B12R1.3795 O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)O MCULE-3683081327 [0,2,0,0,0,0|1,0,0]=3 835 B12R1.3795 O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O MCULE-4471828073 [0,2,0,0,0,0|1,0,0]=3 836 B12R1.3795 O[C@H]1[C@@H]([C@H]([C@H]([C@@H]([C@H]1O)O)O)O)O MCULE-3881427878 [0,2,0,0,0,0|1,0,0]=3 837 B12R1.3795 O[C@H]1[C@H]([C@H]([C@H]([C@H]([C@@H]1O)O)O)O)O MCULE-1607519544 [0,2,0,0,0,0|1,0,0]=3 838 B12R1.544 CCO[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O MCULE-1215884984 [0,2,0,0,0,0|0,0,0]=2 839 B12R1.544 N#N=NC1OCC(C(C1O)O)O MCULE-9344661798 [0,2,0,0,0,0|1,0,0]=3 840 B12R1.544 [N-]=[N+]=N[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O MCULE-9352360853 [0,2,0,0,0,0|1,0,0]=3 841 B12R1.653 CN[C@@H]1CC[C@@H]([C@H]([C@H]1O)O)OC MCULE-2709839244 [0,2,0,0,0,0|2,0,0]=4 842 B12R1.3860 OCC1(OCC(C(C1O)O)O)O MCULE-3989562945 [0,2,0,0,0,0|0,0,0]=2 843 B12R1.3860 OCC1(OC[C@@H]([C@@H]([C@@H]1O)O)O)O MCULE-5077562576 [0,2,0,0,0,0|0,0,0]=2 844 B12R1.3860 OCC1(OC[C@@H]([C@H]([C@H]1O)O)O)O MCULE-7754582258 [0,2,0,0,0,0|0,0,0]=2 845 B12R1.3860 OCC1(OC[C@H]([C@@H]([C@@H]1O)O)O)O MCULE-1351671350 [0,2,0,0,0,0|0,0,0]=2 846 B12R1.3860 OCC1(OC[C@H]([C@H](C1O)O)O)O MCULE-9179212200 [0,2,0,0,0,0|0,0,0]=2 847 B12R1.3860 OC[C@]1(OC[C@H]([C@H]([C@@H]1O)O)O)O MCULE-2560903823 [0,2,0,0,0,0|0,0,0]=2 848 B12R1.3860 OC[C@]1(OC[C@H]([C@H]([C@@H]1O)O)O)O MCULE-6223554768 [0,2,0,0,0,0|0,0,0]=2 849 B10R1.15 OCC(O)C1CCCCO1 MCULE-2204525592 [0,0,1,1,0,0|2,0,0]=4 850 B10R1.3 OCC1COC(CO1)CO MCULE-1954740011 [0,0,1,1,0,0|1,0,0]=3 851 B10R1.3 OC[C@H]1CO[C@@H](CO1)CO MCULE-4815195866 [0,0,1,1,0,0|1,0,0]=3 852 B10R1.236 OCC1(COC(C1O)O)O MCULE-3740926726 [0,0,1,1,0,0|0,0,0]=2 853 B10R1.236 OCC1(OCC(C1O)O)O MCULE-4442933068 [0,0,1,1,0,0|0,0,0]=2 854 B10R1.236 OCC1(OC[C@@H]([C@H]1O)O)O MCULE-9865138473 [0,0,1,1,0,0|0,0,0]=2 855 B10R1.236 OCC1(OC[C@H]([C@@H]1O)O)O MCULE-7137289323 [0,0,1,1,0,0|0,0,0]=2 856 B10R1.236 OCC1(OC[C@H]([C@H]1O)O)O MCULE-1992709058 [0,0,1,1,0,0|0,0,0]=2 857 B10R1.236 OCC1(OC[C@H]([C@H]1O)O)O MCULE-6600191072 [0,0,1,1,0,0|0,0,0]=2 858 B10R1.236 OC[C@]1(COC([C@@H]1O)O)O MCULE-2488906341 [0,0,1,1,0,0|0,0,0]=2 859 B10R2.25 OC1C2CNC(C2)C1O MCULE-5174905071 [1,0,0,1,0,0|2,0,0]=4 860 B10R2.25 OC1C2CNC(C2)C1O MCULE-5852133152 [1,0,0,1,0,0|2,0,0]=4 861 B10R2.41 OC1C2CCC1COC2 MCULE-6695569372 [1,0,0,1,0,0|2,0,0]=4 862 B10R2.41 OC1C2CNCC1OC2 MCULE-5447151121 [1,0,0,1,0,0|2,0,0]=4 863 B10R2.41 O[C@@H]1[C@H]2CNC[C@@H]1OC2 MCULE-3056704084 [1,0,0,1,0,0|2,0,0]=4 864 B10R2.41 O[C@H]1[C@H]2CNC[C@@H]1OC2 MCULE-7557877999 [1,0,0,1,0,0|2,0,0]=4 865 B10R2.41 [C@H]12CNC[C@H]([C@@H]1O)OC2 MCULE-3073596415 [1,0,0,1,0,0|2,0,0]=4 866 B10R2.60 OC1CC2CC1CC2O MCULE-1737041652 [1,0,0,1,0,0|2,0,0]=4 867 B12R2.632 O[C@@H]1CO[C@@H]2O[C@H]1[C@@H]([C@H]2O)O MCULE-5205002793 [0,0,0,1,0,1|0,0,0]=2 868 B12R2.632 O[C@@H]1CO[C@@H]2O[C@H]1[C@@H]([C@H]2O)O MCULE-8196334073 [0,0,0,1,0,1|0,0,0]=2 869 B12R2.1121 O[C@@H]1CC[C@@H]2C[C@H]([C@]1(N2)O)O MCULE-1780842503 [0,0,0,1,0,1|2,0,0]=4 870 B12R2.2840 O[C@H]1C[C@@]2(CC[C@@H](N2)[C@@H]1O)O MCULE-6556832593 [0,0,0,1,0,1|2,0,0]=4 871 B12R2.5368 O[C@H]1[C@@H](C[C@H]2CC[C@@]1(N2)O)O MCULE-2297428712 [0,0,0,1,0,1|2,0,0]=4 872 B12R2.5368 O[C@H]1[C@@H](C[C@H]2CC[C@@]1(N2)O)O MCULE-8400569528 [0,0,0,1,0,1|2,0,0]=4 873 B12R2.2345 C12COC(O1)C(C(C2O)O)I MCULE-1766055189 [0,0,0,1,0,1|1,0,0]=3 874 B12R2.2345 OC1C2COC(O2)C(C1O)O MCULE-6151722185 [0,0,0,1,0,1|0,0,0]=2 875 B12R2.2345 O[C@@H]1C2CO[C@H](O2)C([C@@H]1O)F MCULE-6475513622 [0,0,0,1,0,1|1,0,0]=3 876 B12R2.2345 O[C@@H]1[C@H]([C@H]2OC[C@@H](O2)[C@@H]1O)O MCULE-1392079510 [0,0,0,1,0,1|0,0,0]=2 877 B12R2.2345 O[C@H]1[C@@H]([C@H]([C@@H]2OC[C@H]1O2)O)O MCULE-1111500773 [0,0,0,1,0,1|0,0,0]=2 878 B12R2.2345 O[C@H]1[C@@H]([C@H]([C@@H]2OC[C@H]1O2)O)O MCULE-9613598415 [0,0,0,1,0,1|0,0,0]=2 879 B12R2.2345 O[C@H]1[C@@H]([C@H]2CO[C@H](O2)[C@@H]1I)F MCULE-4019947032 [0,0,0,1,0,1|2,0,0]=4 880 B12R2.2345 O[C@H]1[C@@H]([C@H]2CO[C@H](O2)[C@H]1O)O MCULE-1273022091 [0,0,0,1,0,1|0,0,0]=2 881 B12R2.2345 O[C@H]1[C@@H]([C@H]2CO[C@H](O2)[C@H]1O)O MCULE-9756197571 [0,0,0,1,0,1|0,0,0]=2 882 B12R2.2345 [C@@H]1([C@@H]([C@H]([C@H]2OC[C@H]1O2)O)O)O MCULE-3316701769 [0,0,0,1,0,1|0,0,0]=2 883 B12R2.2345 [C@H]12CO[C@H](O1)[C@@H]([C@H]([C@@H]2O)O)I MCULE-6296856384 [0,0,0,1,0,1|1,0,0]=3 884 B12R2.2345 [C@H]12OC[C@@H](O1)[C@@H]([C@@H]([C@H]2O)O)O MCULE-4477579702 [0,0,0,1,0,1|0,0,0]=2 885 B12R2.2485 OC1C(C(C2OC2C1O)O)O MCULE-3801123992 [0,0,0,1,0,1|0,0,0]=2 886 B12R2.2485 OC1[C@@H]([C@H]([C@H]2OC2[C@@H]1O)O)O MCULE-3655619525 [0,0,0,1,0,1|0,0,0]=2 887 B12R2.2485 O[C@H]1[C@@H]([C@H]([C@H]2O[C@H]2[C@@H]1O)O)O MCULE-2572383733 [0,0,0,1,0,1|0,0,0]=2 888 B12R2.2485 [C@@H]12O[C@@H]1[C@@H]([C@H]([C@@H]([C@H]2O)O)O)O MCULE-2519690192 [0,0,0,1,0,1|0,0,0]=2 889 B12R2.2784 OC1OC2COC(C1O)C2O MCULE-5202244334 [0,1,0,1,0,0|0,0,0]=2 890 B12R2.2784 [C@H]12CO[C@H]([C@@H]1O)[C@H](C(O2)O)O MCULE-4187392979 [0,1,0,1,0,0|0,0,0]=2 891 B12R2.1843 OC[C@H]1O[C@H]2O[C@H]1[C@@H]([C@H]2O)O MCULE-7780029575 [0,1,0,1,0,0|0,0,0]=2 892 B12R3.689 OC1C(C2CC1C3C2O3)O MCULE-1806379265 [0,0,0,2,0,0|2,0,0]=4 893 B8R1.50 CC1CCC(C1O)O MCULE-3292232581 [1,0,0,0,1,0|1,0,0]=3 894 B8R1.50 NC1CCC(C1O)O MCULE-2902511864 [1,0,0,0,1,0|1,0,0]=3 895 B8R1.50 NC1CCC(C1O)O MCULE-2997796956 [1,0,0,0,1,0|1,0,0]=3 896 B8R1.50 N[C@@H]1CC[C@@H]([C@H]1O)O MCULE-4654712954 [1,0,0,0,1,0|1,0,0]=3 897 B8R1.50 N[C@@H]1CC[C@@H]([C@H]1O)O MCULE-4756579413 [1,0,0,0,1,0|1,0,0]=3 898 B8R1.50 N[C@@H]1CC[C@@H]([C@H]1O)O MCULE-5386854672 [1,0,0,0,1,0|1,0,0]=3 899 B8R1.50 N[C@@H]1CC[C@@H]([C@H]1O)O MCULE-8517121727 [1,0,0,0,1,0|1,0,0]=3 900 B8R1.50 N[C@@H]1CC[C@H]([C@@H]1O)O MCULE-1001347318 [1,0,0,0,1,0|1,0,0]=3 901 B8R1.50 N[C@@H]1CC[C@H]([C@@H]1O)O MCULE-3161518566 [1,0,0,0,1,0|1,0,0]=3 902 B8R1.50 N[C@@H]1CC[C@H]([C@@H]1O)O MCULE-8097854840 [1,0,0,0,1,0|1,0,0]=3 903 B8R1.50 N[C@@H]1CC[C@H]([C@@H]1O)O MCULE-9614047785 [1,0,0,0,1,0|1,0,0]=3 904 B8R1.50 N[C@@H]1CC[C@H]([C@H]1O)O MCULE-3397642974 [1,0,0,0,1,0|1,0,0]=3 905 B8R1.50 N[C@@H]1CC[C@H]([C@H]1O)O MCULE-5620525999 [1,0,0,0,1,0|1,0,0]=3 906 B8R1.50 N[C@@H]1CC[C@H]([C@H]1O)O MCULE-8393185418 [1,0,0,0,1,0|1,0,0]=3 907 B8R1.50 N[C@@H]1CC[C@H]([C@H]1O)O MCULE-9763920178 [1,0,0,0,1,0|1,0,0]=3 908 B8R1.50 O=C1OCC(C1O)O MCULE-9766741798 [1,0,0,0,1,0|0,0,2]=4 909 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O MCULE-8629460196 [1,0,0,0,1,0|0,0,2]=4 910 B8R1.50 O=C1OC[C@@H]([C@H]1O)O MCULE-7303431003 [1,0,0,0,1,0|0,0,2]=4 911 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-4704805755 [1,0,0,0,1,0|0,0,2]=4 912 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7070309718 [1,0,0,0,1,0|0,0,2]=4 913 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7824820688 [1,0,0,0,1,0|0,0,2]=4 914 B8R1.50 OC1COC(C1O)O MCULE-2562953459 [1,0,0,0,1,0|0,0,0]=2 915 B8R1.50 OC1OC[C@@H]([C@H]1O)O MCULE-4484765937 [1,0,0,0,1,0|0,0,0]=2 916 B8R1.50 OC1OC[C@H]([C@@H]1O)O MCULE-4663451850 [1,0,0,0,1,0|0,0,0]=2 917 B8R1.18 NC1CC(C(C1)O)O MCULE-4578427017 [1,0,0,0,1,0|1,0,0]=3 918 B8R1.18 NC1CC(C(C1)O)O MCULE-5175955370 [1,0,0,0,1,0|1,0,0]=3 919 B8R1.18 NC1C[C@@H]([C@@H](C1)O)O MCULE-6906947518 [1,0,0,0,1,0|1,0,0]=3 920 B8R1.18 NC1C[C@@H]([C@@H](C1)O)O MCULE-9885099468 [1,0,0,0,1,0|1,0,0]=3 921 B8R1.18 N[C@@H]1C[C@@H]([C@@H](C1)O)O MCULE-1413629464 [1,0,0,0,1,0|1,0,0]=3 922 B8R1.18 N[C@@H]1C[C@@H]([C@@H](C1)O)O MCULE-2282806557 [1,0,0,0,1,0|1,0,0]=3 923 B8R1.18 N[C@H]1C[C@@H]([C@@H](C1)O)O MCULE-1533256813 [1,0,0,0,1,0|1,0,0]=3 924 B8R1.18 N[C@H]1C[C@@H]([C@@H](C1)O)O MCULE-8968529452 [1,0,0,0,1,0|1,0,0]=3 925 B10R0.59 OCC(O)COCC(O)CO MCULE-4296834115 [0,0,1,0,0,1|0,0,0]=2