0 B11R0.85 CC(C)CCC(=O)CCC(C)C MCULE-4003966230 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.85 CC(C)OCC(O)COC(C)C MCULE-4057505088 [0,0,0,0,0,0|2,0,0]=2 2 B10R0.97 CC(C)CCNCCC(C)C MCULE-6245172453 [1,0,0,0,0,0|3,0,0]=4 3 B10R0.97 CC(C)CCOCCC(C)C MCULE-3239546161 [1,0,0,0,0,0|3,0,0]=4 4 B10R0.97 CC(C)NCCCNC(C)C MCULE-3967163349 [1,0,0,0,0,0|0,0,0]=1 5 B12R1.21 CC(C)NCC1CCN(CC1)C MCULE-9544276270 [0,0,0,1,0,0|3,0,0]=4 6 B12R1.127 CC(C)CN1C[C@H](NC[C@@H]1C)C MCULE-3197697716 [0,0,0,1,0,0|3,0,0]=4 7 B12R1.127 CC(C)CN1C[C@H](NC[C@@H]1C)C MCULE-8206153119 [0,0,0,1,0,0|3,0,0]=4 8 B9R0.2 CC(C)NCCCCCN MCULE-1109263155 [2,0,0,0,0,0|2,0,0]=4 9 B9R0.2 CC(C)NCCCCCO MCULE-7223381486 [2,0,0,0,0,0|2,0,0]=4 10 B9R0.2 CCCCCCCC(C)C MCULE-6606361985 [2,0,0,0,0,0|2,0,0]=4 11 B9R0.2 CCNCCCNC(C)C MCULE-7812174209 [2,0,0,0,0,0|0,0,0]=2 12 B9R0.18 CCCCC(O)CCCC MCULE-4443702940 [2,0,0,0,0,0|2,0,0]=4 13 B9R0.18 CCOCC(O)COCC MCULE-1541596863 [2,0,0,0,0,0|2,0,0]=4 14 B11R0.82 CCNCC(O)CNC(C)(C)C MCULE-9002137032 [1,1,0,0,0,0|0,0,0]=2 15 B11R0.82 CCNCC(O)CNC(C)(C)C MCULE-9177752944 [1,1,0,0,0,0|0,0,0]=2 16 B11R0.143 CC(C)CNC(CO)CC(C)C MCULE-1234165065 [0,1,0,0,1,0|2,0,0]=4 17 B11R0.149 CC(C)CC(N)C(=O)NC(C)C MCULE-5733918153 [0,1,0,0,1,0|1,0,1]=4 18 B11R0.149 CC(C)CC(O)C(=O)OC(C)C MCULE-5233343892 [0,1,0,0,1,0|1,0,1]=4 19 B11R0.149 CC(C)C[C@H](N)C(=O)NC(C)C MCULE-5551628873 [0,1,0,0,1,0|1,0,1]=4 20 B11R0.337 CC(C)CC(=O)CNC(C)(C)C MCULE-2302204920 [0,1,0,0,1,0|0,0,2]=4 21 B11R0.337 CC(C)CC(=O)CNC(C)(C)C MCULE-3377096654 [0,1,0,0,1,0|0,0,2]=4 22 B11R0.337 CC(C)CC(=O)CNC(C)(C)C MCULE-3478937492 [0,1,0,0,1,0|0,0,2]=4 23 B11R0.337 CC(C)CC(O)CNC(C)(C)C MCULE-1573778438 [0,1,0,0,1,0|0,0,0]=2 24 B11R0.337 CC(C)CC(O)CNC(C)(C)C MCULE-7240026827 [0,1,0,0,1,0|0,0,0]=2 25 B13R0.2444 CC(C)(C)NCC(O)CNC(C)(C)C MCULE-1313760374 [0,2,0,0,0,0|0,0,0]=2 26 B13R0.2444 CC(C)(C)NCC(O)COC(C)(C)C MCULE-2776096951 [0,2,0,0,0,0|1,0,0]=3 27 B13R0.2444 CC(C)(C)NCC(O)COC(C)(C)C MCULE-8129567230 [0,2,0,0,0,0|1,0,0]=3 28 B11R1.86 CC(C)CC1CCCCC1O MCULE-5256349727 [1,0,0,1,0,0|2,0,0]=4 29 B11R1.86 CC(C)NC1CCCCC1O MCULE-2044057867 [1,0,0,1,0,0|1,0,0]=3 30 B11R1.86 CC(C)O[C@H]1CCCC[C@@H]1O MCULE-3825899367 [1,0,0,1,0,0|2,0,0]=4 31 B11R1.86 CC(C)SC1CCCCC1O MCULE-7684381613 [1,0,0,1,0,0|2,0,0]=4 32 B11R1.86 CN(C)CC1CCNCC1O MCULE-3205488963 [1,0,0,1,0,0|2,0,0]=4 33 B11R1.86 CN(C)CC1CCNCC1O MCULE-8408312773 [1,0,0,1,0,0|2,0,0]=4 34 B11R1.86 CN(C)C[C@@H]1CCNC[C@H]1O MCULE-4696979342 [1,0,0,1,0,0|2,0,0]=4 35 B11R1.86 CN(C)C[C@@H]1CCNC[C@H]1O MCULE-6566637121 [1,0,0,1,0,0|2,0,0]=4 36 B11R1.86 CN(C)C[C@@H]1CCNC[C@H]1O MCULE-8473164550 [1,0,0,1,0,0|2,0,0]=4 37 B11R1.86 CN(C)C[C@@H]1CCNC[C@H]1O MCULE-8846190412 [1,0,0,1,0,0|2,0,0]=4 38 B11R1.86 CN(C)C[C@H]1CCNC[C@@H]1O MCULE-3037876897 [1,0,0,1,0,0|2,0,0]=4 39 B11R1.86 CN(C)C[C@H]1CCNC[C@@H]1O MCULE-9766382864 [1,0,0,1,0,0|2,0,0]=4 40 B11R1.91 CC(=O)NCC1CNCCO1 MCULE-5014922423 [1,0,0,1,0,0|1,0,1]=4 41 B11R1.91 CC(C)CCC1CCCNC1 MCULE-7419800844 [1,0,0,1,0,0|2,0,0]=4 42 B11R1.91 CC(C)NCC1CCCCC1 MCULE-8959827433 [1,0,0,1,0,0|2,0,0]=4 43 B11R1.91 CC(C)NCC1CCCCC1 MCULE-9336680367 [1,0,0,1,0,0|2,0,0]=4 44 B11R1.91 CC(C)NCC1CCCCO1 MCULE-8987635004 [1,0,0,1,0,0|1,0,0]=3 45 B11R1.91 CC(C)NCC1CCCNC1 MCULE-1485907562 [1,0,0,1,0,0|1,0,0]=3 46 B11R1.91 CC(C)NCC1CCCNC1 MCULE-7804102267 [1,0,0,1,0,0|1,0,0]=3 47 B11R1.91 CC(C)OCC1CCCNC1 MCULE-3463547083 [1,0,0,1,0,0|2,0,0]=4 48 B11R1.91 CC(C)OCC1CCCNC1 MCULE-4984090650 [1,0,0,1,0,0|2,0,0]=4 49 B11R1.91 CC(C)OCC1CNCCO1 MCULE-3677027955 [1,0,0,1,0,0|1,0,0]=3 50 B11R1.91 CN(C)CCC1CNCCO1 MCULE-4020372478 [1,0,0,1,0,0|2,0,0]=4 51 B11R1.497 CC(=O)N1CCNCC(C1)O MCULE-6634305760 [1,0,0,1,0,0|1,0,1]=4 52 B11R1.497 CC(=O)N1CCNCC(C1)O MCULE-8301515073 [1,0,0,1,0,0|1,0,1]=4 53 B11R1.157 CC(C)CN1CCNC(C1)C MCULE-9078960134 [1,0,0,1,0,0|2,0,0]=4 54 B11R1.157 CC(C)CN1CCN[C@@H](C1)C MCULE-9704093446 [1,0,0,1,0,0|2,0,0]=4 55 B11R1.157 CC(C)CN1CCN[C@H](C1)C MCULE-6181253248 [1,0,0,1,0,0|2,0,0]=4 56 B11R1.157 CC(C)CN1CCN[C@H](C1)C MCULE-9257767769 [1,0,0,1,0,0|2,0,0]=4 57 B11R1.157 CC(C)NC1CCCN(C1)C MCULE-6818407199 [1,0,0,1,0,0|2,0,0]=4 58 B11R1.157 CC(C)N[C@@H]1CCCN(C1)C MCULE-5571032035 [1,0,0,1,0,0|2,0,0]=4 59 B11R1.157 CC(C)N[C@H]1CCCN(C1)C MCULE-8372873726 [1,0,0,1,0,0|2,0,0]=4 60 B11R1.157 CC1CC(CCN1)OC(C)C MCULE-1641561231 [1,0,0,1,0,0|1,0,0]=3 61 B9R0.4 CCC#CC(O)CC(C)C MCULE-5403690083 [1,0,0,0,1,0|1,0,1]=4 62 B9R0.4 CCCCC(C)CC(C)C MCULE-5058808542 [1,0,0,0,1,0|2,0,0]=4 63 B9R0.4 CCNCC(=O)NC(C)C MCULE-1911078363 [1,0,0,0,1,0|0,0,2]=4 64 B9R0.4 CCNCC(=O)NC(C)C MCULE-3672758195 [1,0,0,0,1,0|0,0,2]=4 65 B9R0.4 CCNCC(N)CC(C)C MCULE-3601821382 [1,0,0,0,1,0|1,0,0]=3 66 B9R0.4 CCOC[C@@H](N)CC(C)C MCULE-4064676814 [1,0,0,0,1,0|2,0,0]=4 67 B9R0.4 CCOC[C@@H](N)CC(C)C MCULE-5876457429 [1,0,0,0,1,0|2,0,0]=4 68 B9R0.4 CCOC[C@H](N)CC(C)C MCULE-9114519227 [1,0,0,0,1,0|2,0,0]=4 69 B9R0.4 CCOC[C@H](N)CC(C)C MCULE-9320340955 [1,0,0,0,1,0|2,0,0]=4 70 B9R0.55 CC(=O)NCCNC(C)C MCULE-7910696298 [1,0,0,0,1,0|1,0,1]=4 71 B9R0.55 CC(C)CCCCC(C)C MCULE-2916402516 [1,0,0,0,1,0|1,0,0]=3 72 B9R0.55 CC(C)NCCCN(C)C MCULE-5529640428 [1,0,0,0,1,0|1,0,0]=3 73 B9R0.55 CC(C)NCCNC(C)C MCULE-7784424072 [1,0,0,0,1,0|0,0,0]=2 74 B9R0.53 CC(C)CC(=O)CC(C)C MCULE-1429853094 [0,0,0,0,2,0|0,0,2]=4 75 B9R0.53 CC(C)CC(=O)NC(C)C MCULE-8177213606 [0,0,0,0,2,0|0,0,2]=4 76 B9R0.53 CC(C)CC(C)CC(C)O MCULE-3603844824 [0,0,0,0,2,0|2,0,0]=4 77 B9R0.53 CC(C)CC(N)CC(C)C MCULE-1554135812 [0,0,0,0,2,0|1,0,0]=3 78 B9R0.53 CC(C)CC(N)CC(C)C MCULE-7379412957 [0,0,0,0,2,0|1,0,0]=3 79 B9R0.53 CC(C)CC(N)CN(C)C MCULE-2167092761 [0,0,0,0,2,0|2,0,0]=4 80 B9R0.53 CC(C)CC(O)CC(C)C MCULE-5726175629 [0,0,0,0,2,0|0,0,0]=2 81 B9R0.53 CC(C)C[C@H](N)CN(C)C MCULE-2261570861 [0,0,0,0,2,0|2,0,0]=4 82 B9R0.53 CC(C)NC(=O)NC(C)C MCULE-3019737350 [0,0,0,0,2,0|0,0,2]=4 83 B9R0.53 CC(C)NC(=S)NC(C)C MCULE-4846755412 [0,0,0,0,2,0|0,1,1]=4 84 B9R0.53 CN(C)CC(O)CN(C)C MCULE-7089557459 [0,0,0,0,2,0|2,0,0]=4 85 B11R0.30 CC(C)CNCCNCC(C)C MCULE-8571541173 [1,0,0,0,0,1|2,0,0]=4