0 B13R2.5151 CC1=COC(=O)C2C1CCC2C MCULE-4051430183 [0,0,0,0,0,0|0,0,0]=0 1 B13R2.5151 CC1=COC(=O)[C@H]2[C@@H]1CC[C@@H]2C MCULE-1742044948 [0,0,0,0,0,0|0,0,0]=0 2 B12R2.221 CN1CCC(=O)C2C1CCC2 MCULE-2094972831 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.498 CC(=C1CC[C@H]([C@@H]1C(=O)O)C)C MCULE-1138012403 [0,0,1,0,0,0|0,0,2]=3 4 B11R1.199 CCOC(=O)C1CCCC1N MCULE-4744440276 [1,0,1,0,0,0|1,0,1]=4 5 B11R1.199 CCOC(=O)C1CCCC1N MCULE-9857282632 [1,0,1,0,0,0|1,0,1]=4 6 B11R1.199 CCOC(=O)C1CCCC1O MCULE-9155260134 [1,0,1,0,0,0|1,0,1]=4 7 B11R1.199 CCOC(=O)C1CCNC1C MCULE-1824974216 [1,0,1,0,0,0|1,0,1]=4 8 B11R1.199 CCOC(=O)C1CNCC1C MCULE-8063603247 [1,0,1,0,0,0|1,0,1]=4 9 B11R1.199 CCOC(=O)C1NCCC1C MCULE-2070726860 [1,0,1,0,0,0|1,0,1]=4 10 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N MCULE-4132662846 [1,0,1,0,0,0|1,0,1]=4 11 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N MCULE-5969287271 [1,0,1,0,0,0|1,0,1]=4 12 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N MCULE-6169423843 [1,0,1,0,0,0|1,0,1]=4 13 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1N MCULE-9324644701 [1,0,1,0,0,0|1,0,1]=4 14 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O MCULE-1732093217 [1,0,1,0,0,0|1,0,1]=4 15 B11R1.199 CCOC(=O)[C@@H]1CCC[C@@H]1O MCULE-2867532959 [1,0,1,0,0,0|1,0,1]=4 16 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1N MCULE-2186277279 [1,0,1,0,0,0|1,0,1]=4 17 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1N MCULE-3939519217 [1,0,1,0,0,0|1,0,1]=4 18 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1N MCULE-5751284317 [1,0,1,0,0,0|1,0,1]=4 19 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1N MCULE-7151904075 [1,0,1,0,0,0|1,0,1]=4 20 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1N MCULE-8585923007 [1,0,1,0,0,0|1,0,1]=4 21 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1O MCULE-1459601802 [1,0,1,0,0,0|1,0,1]=4 22 B11R1.199 CCOC(=O)[C@@H]1CCC[C@H]1O MCULE-6974814890 [1,0,1,0,0,0|1,0,1]=4 23 B11R1.199 CCOC(=O)[C@@H]1CCN[C@@H]1C MCULE-2354452497 [1,0,1,0,0,0|1,0,1]=4 24 B11R1.199 CCOC(=O)[C@@H]1CCN[C@H]1C MCULE-5969475192 [1,0,1,0,0,0|1,0,1]=4 25 B11R1.199 CCOC(=O)[C@@H]1CNC[C@H]1C MCULE-7965699372 [1,0,1,0,0,0|1,0,1]=4 26 B11R1.199 CCOC(=O)[C@@H]1NCC[C@@H]1C MCULE-1666171700 [1,0,1,0,0,0|1,0,1]=4 27 B11R1.199 CCOC(=O)[C@@H]1NCC[C@@H]1C MCULE-7247848958 [1,0,1,0,0,0|1,0,1]=4 28 B11R1.199 CCOC(=O)[C@@H]1NCC[C@H]1C MCULE-6177092493 [1,0,1,0,0,0|1,0,1]=4 29 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N MCULE-3601767113 [1,0,1,0,0,0|1,0,1]=4 30 B11R1.199 CCOC(=O)[C@H]1CCC[C@@H]1N MCULE-6957813411 [1,0,1,0,0,0|1,0,1]=4 31 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N MCULE-1305947087 [1,0,1,0,0,0|1,0,1]=4 32 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N MCULE-1727343030 [1,0,1,0,0,0|1,0,1]=4 33 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N MCULE-3606897920 [1,0,1,0,0,0|1,0,1]=4 34 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N MCULE-4139911354 [1,0,1,0,0,0|1,0,1]=4 35 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N MCULE-4274273299 [1,0,1,0,0,0|1,0,1]=4 36 B11R1.199 CCOC(=O)[C@H]1CCC[C@H]1N MCULE-4654939022 [1,0,1,0,0,0|1,0,1]=4 37 B11R1.199 CCOC(=O)[C@H]1CCN[C@@H]1C MCULE-5767802234 [1,0,1,0,0,0|1,0,1]=4 38 B11R1.199 CCOC(=O)[C@H]1CCN[C@H]1C MCULE-2196272727 [1,0,1,0,0,0|1,0,1]=4 39 B11R1.199 CCOC(=O)[C@H]1CNC[C@@H]1C MCULE-1336913244 [1,0,1,0,0,0|1,0,1]=4 40 B11R1.199 CCOC(=O)[C@H]1CNC[C@@H]1C MCULE-2896751298 [1,0,1,0,0,0|1,0,1]=4 41 B11R1.199 CCOC(=O)[C@H]1NCC[C@@H]1C MCULE-9098112527 [1,0,1,0,0,0|1,0,1]=4 42 B11R1.199 CCOC(=O)[C@H]1NCC[C@H]1C MCULE-4833931996 [1,0,1,0,0,0|1,0,1]=4 43 B11R1.199 CCOC(=O)[C@H]1NCC[C@H]1C MCULE-8712554117 [1,0,1,0,0,0|1,0,1]=4 44 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-1813411528 [1,0,1,0,0,0|2,0,0]=4 45 B11R1.178 CC(=O)N1CCCC1C(=O)O MCULE-9022800854 [1,0,1,0,0,0|2,0,0]=4 46 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-1405603447 [1,0,1,0,0,0|2,0,0]=4 47 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O MCULE-9216589773 [1,0,1,0,0,0|2,0,0]=4 48 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-1169221802 [1,0,1,0,0,0|2,0,0]=4 49 B11R1.178 CC(=O)N1CCC[C@H]1C(=O)O MCULE-9915147289 [1,0,1,0,0,0|2,0,0]=4 50 B11R1.178 O=C(O)C1CCCC1C(=O)O MCULE-1370613174 [1,0,1,0,0,0|2,0,0]=4 51 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O MCULE-5772739452 [1,0,1,0,0,0|2,0,0]=4 52 B11R1.178 O=C(O)[C@@H]1CCC[C@H]1C(=O)O MCULE-6923663809 [1,0,1,0,0,0|2,0,0]=4 53 B11R1.178 O=C(O)[C@H]1CCC[C@H]1C(=O)O MCULE-2898188373 [1,0,1,0,0,0|2,0,0]=4 54 B11R0.115 CCC(C)C(NC(=O)C)C(=O)O MCULE-4181667774 [0,0,2,0,0,0|2,0,0]=4 55 B11R0.115 CC[C@H](C)[C@@H](NC(=O)C)C(=O)O MCULE-5204918668 [0,0,2,0,0,0|2,0,0]=4 56 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O MCULE-1874701839 [0,0,2,0,0,0|2,0,0]=4 57 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O MCULE-2741794137 [0,0,2,0,0,0|2,0,0]=4 58 B11R0.115 CC[C@H](C)[C@H](NC(=O)C)C(=O)O MCULE-6557323131 [0,0,2,0,0,0|2,0,0]=4 59 B11R0.115 [C@@H](C)(CC)[C@@H](NC(=O)C)C(=O)O MCULE-5237529088 [0,0,2,0,0,0|2,0,0]=4 60 B11R0.115 [C@@H](NC(=O)C)(C(=O)O)C(C)CC MCULE-8702697039 [0,0,2,0,0,0|2,0,0]=4 61 B11R0.115 [C@H](C)(CC)[C@@H](NC(=O)C)C(=O)O MCULE-2360572915 [0,0,2,0,0,0|2,0,0]=4 62 B11R0.81 C=CCOC(=O)CCCCCC MCULE-3528769589 [0,0,2,0,0,0|0,0,2]=4 63 B11R0.81 CCCCCCC(=O)C=CC=O MCULE-3978841928 [0,0,2,0,0,0|2,0,0]=4 64 B11R0.81 CCCCCCC(=O)OCCC MCULE-6309887109 [0,0,2,0,0,0|0,0,2]=4 65 B11R0.160 CCCCC(CC(=O)O)C(=O)O MCULE-6663725829 [0,0,2,0,0,0|2,0,0]=4 66 B11R0.6 CC(=CCCC(C)CC(=O)O)C MCULE-3455137708 [0,0,2,0,0,0|0,0,2]=4 67 B11R0.6 CC(=CCC[C@@H](C)CC(=O)O)C MCULE-1765346802 [0,0,2,0,0,0|0,0,2]=4 68 B11R0.6 CC(=CCC[C@H](C)CC(=O)O)C MCULE-2400113823 [0,0,2,0,0,0|0,0,2]=4 69 B11R0.6 CC(=CCC[C@H](C)CC(=O)O)C MCULE-9691367682 [0,0,2,0,0,0|0,0,2]=4 70 B11R0.6 CC(C)CCCC(C)CC(=O)O MCULE-9388582884 [0,0,2,0,0,0|0,0,2]=4 71 B11R0.6 [C@@H](C)(CCC=C(C)C)CC(=O)O MCULE-1438242882 [0,0,2,0,0,0|0,0,2]=4 72 B11R0.296 CCC(C(=O)O)C(CC)C(=O)O MCULE-7362604126 [0,0,2,0,0,0|2,0,0]=4 73 B11R0.107 CCC(C)COC(=O)CC(C)C MCULE-9808470224 [0,0,2,0,0,0|0,0,2]=4 74 B13R3.2859 O=C1OC2CC3CC2C1C3O MCULE-2482956240 [0,0,0,1,1,0|1,0,1]=4 75 B11R1.225 CCC(C)C1NC(=O)OC1=O MCULE-6029261965 [0,0,1,0,1,0|2,0,0]=4 76 B11R1.225 CC[C@@H](C)[C@H]1NC(=O)OC1=O MCULE-4564497045 [0,0,1,0,1,0|2,0,0]=4 77 B11R1.225 CC[C@H](C)[C@@H]1NC(=O)OC1=O MCULE-2844020752 [0,0,1,0,1,0|2,0,0]=4 78 B11R1.225 CC[C@H](C)[C@@H]1NC(=O)OC1=O MCULE-4471946334 [0,0,1,0,1,0|2,0,0]=4 79 B11R1.225 CC[C@H](C)[C@H]1NC(=O)OC1=O MCULE-9524787358 [0,0,1,0,1,0|2,0,0]=4 80 B11R1.230 CCCCC1CC(=O)OC1=O MCULE-8172678394 [0,0,1,0,1,0|1,0,0]=3 81 B11R1.230 CCCCC1NC(=O)OC1=O MCULE-4116341118 [0,0,1,0,1,0|2,0,0]=4 82 B11R1.230 CCCC[C@@H]1NC(=O)OC1=O MCULE-6325860341 [0,0,1,0,1,0|2,0,0]=4 83 B11R2.202 O=C1NC(=O)C2C1CCC2 MCULE-9849072424 [1,0,0,0,1,0|2,0,0]=4 84 B11R2.202 O=C1NC(=O)[C@H]2[C@@H]1CCC2 MCULE-5441102612 [1,0,0,0,1,0|2,0,0]=4 85 B11R2.202 O=C1OC(=O)C2C1CCC2 MCULE-3340764436 [1,0,0,0,1,0|1,0,0]=3 86 B11R2.202 O=C1OC(=O)[C@H]2[C@@H]1CCC2 MCULE-3533399458 [1,0,0,0,1,0|1,0,0]=3 87 B13R1.165 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)O)C MCULE-2497928316 [0,0,1,0,0,1|0,0,2]=4 88 B13R1.165 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)O)C MCULE-8234406278 [0,0,1,0,0,1|0,0,2]=4 89 B13R1.165 CC(C)[C@@H]1CC[C@H](C[C@H]1C(=O)O)C MCULE-9651818545 [0,0,1,0,0,1|0,0,2]=4 90 B13R1.165 CC1CCC(C(C1)C(=O)O)C(C)C MCULE-8009184802 [0,0,1,0,0,1|0,0,2]=4