0 B27R3.5014071 CC(C(=O)NCCN1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-3651980833 [0,0,0,0,0,0|3,0,0]=3 1 B27R3.5014071 CC(C(=O)NCCN1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-8023577665 [0,0,0,0,0,0|3,0,0]=3 2 B27R3.5014071 O=C(OCCN1CCCCC1)C(O)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-4466885623 [0,0,0,0,0,0|0,0,0]=0 3 B27R3.5014071 O=C(OCCN1CCCCC1)C(O)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-7022732928 [0,0,0,0,0,0|0,0,0]=0 4 B26R3.4543315 OC(C#CCCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-8480446690 [1,0,0,0,0,0|1,0,1]=3 5 B26R3.4543315 OC(CC#CCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-1337420150 [1,0,0,0,0,0|1,0,2]=4 6 B26R3.4543748 O=C(NCCC1=CCCCC1)C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-6470312246 [1,0,0,0,0,0|2,0,1]=4 7 B26R3.4543748 O=C(NCCN1CCCCC1)C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-3192473810 [1,0,0,0,0,0|1,0,0]=2 8 B26R3.4543748 O=C(NCCN1CCOCC1)C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-1439305398 [1,0,0,0,0,0|2,0,0]=3 9 B26R3.4543748 O=C(NCCN1CCOCC1)N(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-5645523793 [1,0,0,0,0,0|3,0,0]=4 10 B26R3.4543748 O=C(OCCN1CCCCC1)C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-3542011437 [1,0,0,0,0,0|0,0,0]=1 11 B26R3.4543748 O=C(OCCN1CCCCC1)C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-7231836038 [1,0,0,0,0,0|0,0,0]=1 12 B26R3.4543748 O=C(OCCN1CCOCC1)C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-2932359323 [1,0,0,0,0,0|1,0,0]=2 13 B26R3.4543748 O=C(OCCN1CCOCC1)C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-6564617357 [1,0,0,0,0,0|1,0,0]=2 14 B28R3.6008132 CC(CN1CCCCC1)OC(=O)C(C)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-3201921046 [0,1,0,0,0,0|1,0,0]=2 15 B28R3.6008132 CC(CN1CCOCC1)OC(=O)C(C)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-1358261528 [0,1,0,0,0,0|2,0,0]=3 16 B28R3.6008132 CC(CN1CCOCC1)OC(=O)C(C)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-2503745936 [0,1,0,0,0,0|2,0,0]=3 17 B28R3.6008132 CC(C[NH+]1CCCCC1)OC(=O)C(C)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-4387267423 [0,1,0,0,0,0|1,0,1]=3 18 B28R4.41196620 O=C(OC1CN2CCC1CC2)C(O)(C3=CC=CC=C3)C4=CC=CC=C4 MCULE-5537647316 [0,0,0,1,0,0|0,0,0]=1 19 B26R3.2074194 O=C(NN=C1CCCCC1)C(O)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-8243666447 [0,0,0,0,1,0|3,0,0]=4 20 B26R3.2074194 O=C(NNC1CCCCC1)C(O)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-2229486817 [0,0,0,0,1,0|3,0,0]=4 21 B26R3.39702471 CC(C(=O)NCCN1CCCC1)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-3415700439 [0,0,0,0,1,0|2,0,0]=3 22 B26R3.39702471 CC(C(=O)NCCN1CCCC1)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-8625055477 [0,0,0,0,1,0|2,0,0]=3 23 B28R3.5991427 CC(C(=O)NCCCN1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-6612577092 [0,0,0,0,0,1|3,0,0]=4 24 B28R3.5991427 O=C(NCCCN1CCOCC1)C(O)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-1225321380 [0,0,0,0,0,1|2,0,0]=3 25 B25R2.698223 CCN(CC)CCCC(=O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1071812911 [1,0,1,0,0,0|1,0,0]=3 26 B25R2.698223 CCN(CC)CCCC(=O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-1232311369 [1,0,1,0,0,0|1,0,0]=3 27 B25R2.698223 CCN(CC)CCNC(=O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-3315496198 [1,0,1,0,0,0|1,0,0]=3 28 B25R2.698223 CCN(CC)CCNC(=O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-3377563520 [1,0,1,0,0,0|1,0,0]=3 29 B25R2.698223 CCN(CC)CCOC(=O)C(C)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-3053971242 [1,0,1,0,0,0|1,0,0]=3 30 B25R2.698223 CCN(CC)CCOC(=O)C(C)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-4981903921 [1,0,1,0,0,0|1,0,0]=3 31 B25R2.698223 CCN(CC)CCOC(=O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-2668849266 [1,0,1,0,0,0|0,0,0]=2 32 B25R2.698223 CCN(CC)CCOC(=O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2 MCULE-7558186631 [1,0,1,0,0,0|0,0,0]=2 33 B27R3.2804296 O=C(NCC(O)C1CCCCC1)C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-9180007959 [1,1,0,0,0,0|2,0,0]=4 34 B27R3.5017731 CC(CN1CCCCC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-2761441589 [1,1,0,0,0,0|0,0,0]=2 35 B27R3.5017731 CC(CN1CCCCC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-4635704042 [1,1,0,0,0,0|0,0,0]=2 36 B27R3.5017731 CC(CN1CCOCC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-1599615626 [1,1,0,0,0,0|1,0,0]=3 37 B27R3.5017731 CC(C[NH+]1CCOCC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-2963410784 [1,1,0,0,0,0|1,0,1]=4 38 B29R3.1385886262 CC[N+]1(CCCCC1)CCOC(=O)C(O)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-1768444627 [0,2,0,0,0,0|0,0,1]=3 39 B29R3.1385886262 CC[N+]1(CCCCC1)CCOC(=O)C(O)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-4444942152 [0,2,0,0,0,0|0,0,1]=3 40 B27R3.1309840 CCN1CCCC(C1)OC(=O)C(O)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-4785336657 [0,0,1,1,0,0|0,0,0]=2 41 B27R4.98345021 OC1(C2=C(C=CC=C2)C3=C1C=CC=C3)C#CCCN4CCCCC4 MCULE-3921877461 [1,0,0,1,0,0|1,0,1]=4 42 B27R4.98345021 OC1(C2=C(C=CC=C2)C3=C1C=CC=C3)C#CCCN4CCCCC4 MCULE-9026587966 [1,0,0,1,0,0|1,0,1]=4 43 B29R4.4125000 O=C1OC(OC1(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCCCC4 MCULE-1957723260 [0,0,0,1,0,1|0,0,0]=2 44 B29R4.2125855642 C[N+]12CCC(CC1)C(C2)OC(=O)C(O)(C3=CC=CC=C3)C4=CC=CC=C4 MCULE-6671202274 [0,1,0,1,0,0|0,0,1]=3 45 B29R4.2125855642 C[N+]12CCC(CC1)C(C2)OC(=O)C(O)(C3=CC=CC=C3)C4=CC=CC=C4 MCULE-6993268975 [0,1,0,1,0,0|0,0,1]=3 46 B25R3.3975663 OC(C#CCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-5122879881 [1,0,0,0,1,0|0,0,2]=4 47 B25R3.3975663 OC(C#CCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-6681973735 [1,0,0,0,1,0|0,0,2]=4 48 B25R3.3975663 OC(C=CCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-6993265041 [1,0,0,0,1,0|0,0,1]=3 49 B25R3.3975663 OC(C=CCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-7263645778 [1,0,0,0,1,0|0,0,1]=3 50 B25R3.3975663 OC(CCCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-2100126557 [1,0,0,0,1,0|0,0,1]=3 51 B25R3.3975663 OC(CCCN1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-4932461593 [1,0,0,0,1,0|0,0,1]=3 52 B25R3.3975784 O=C(NCCC1CCCC1)C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-9779220766 [1,0,0,0,1,0|2,0,0]=4 53 B25R3.3975784 O=C(NCCN1CCCC1)C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-3837670013 [1,0,0,0,1,0|1,0,0]=3 54 B25R3.3975784 O=C(NCC[NH+]1CCCC1)C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-1075234279 [1,0,0,0,1,0|1,0,1]=4 55 B25R3.82776 O=C(NN1CCOCC1)C(O)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-3678398482 [0,0,0,0,2,0|2,0,0]=4 56 B27R3.5013845 O=C(NCCCN1CCOCC1)C(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-5782827382 [1,0,0,0,0,1|2,0,0]=4 57 B27R3.5014069 O=C(NCCN1CCOCC1)C(SC2=CC=CC=C2)C3=CC=CC=C3 MCULE-3017877602 [1,0,0,0,0,1|2,0,0]=4 58 B27R3.5014106 O=C(CC(C1=CC=CC=C1)C2=CC=CC=C2)NCCN3CCOCC3 MCULE-7076789379 [1,0,0,0,0,1|2,0,0]=4 59 B27R3.5014106 O=C(CCCN1CCCCC1)NC(C2=CC=CC=C2)C3=CC=NC=C3 MCULE-1683512581 [1,0,0,0,0,1|2,0,0]=4 60 B27R3.5014106 O=C(NCCN1CCOCC1)NC(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-4507316559 [1,0,0,0,0,1|2,0,0]=4 61 B29R3.7257756 O=C(OCC#CCN1CCCCC1)C(O)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-1644796620 [0,0,0,0,0,2|0,0,0]=2 62 B29R3.7257756 O=C(OCC#CCN1CCCCC1)C(O)(C2=CC=CC=C2)C3=CC=CC=C3 MCULE-4692182399 [0,0,0,0,0,2|0,0,0]=2 63 B29R3.92676873 O=C(OCCN1CCCCC1)C(O)(CC2=CC=CC=C2)CC3=CC=CC=C3 MCULE-1743550105 [0,0,0,0,0,2|0,0,0]=2 64 B29R3.92676873 O=C(OCC[NH+]1CCCCC1)C(O)(CC2=CC=CC=C2)CC3=CC=CC=C3 MCULE-7667850133 [0,0,0,0,0,2|0,0,1]=3