0 B8R0.1 CCCCS(=O)CCO CSC000117714 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.1 CCOC(=O)CCSC CSC000173045 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.1 CCOC(=O)CSCC CSC000172126 [0,0,0,0,0,0|2,0,1]=3 3 B9R0.4 CCCCC(=O)OC(C)C CSC000169914 [0,1,0,0,0,0|1,0,1]=3 4 B9R0.4 CCCNC(=O)NC(C)C CSC000163085 [0,1,0,0,0,0|2,0,1]=4 5 B9R0.4 CCCOC(=O)CC(C)C CSC000170144 [0,1,0,0,0,0|1,0,2]=4 6 B9R0.4 CNCCC(=O)NC(C)C CSC011534604 [0,1,0,0,0,0|2,0,1]=4 7 B9R0.5 CCCC(=O)NCCSC CSC000161292 [0,1,0,0,0,0|1,0,2]=4 8 B9R0.5 CCCCCC(=O)OCC CSC000170156 [0,1,0,0,0,0|1,0,1]=3 9 B9R0.5 CCCCNC(=O)CNC CSC000213093 [0,1,0,0,0,0|1,0,1]=3 10 B9R0.5 CCCCNC(=O)COC CSC000159063 [0,1,0,0,0,0|1,0,1]=3 11 B9R0.5 CCCCNC(=O)NCC CSC000163430 [0,1,0,0,0,0|1,0,1]=3 12 B9R0.5 CCCCOC(=O)CCC CSC011212260 [0,1,0,0,0,0|0,0,2]=3 13 B9R0.5 CCNC(=O)NCCOC CSC000163157 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.5 CCOC(=O)CCCC#N CSC009871613 [0,1,0,0,0,0|1,0,2]=4 15 B9R0.5 COCCNC(=O)COC CSC000157859 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.8 CCCNC(=O)C(=O)NC CSC015545704 [0,1,0,0,0,0|2,0,0]=3 17 B9R0.8 CCCOC(=O)C(C)CC CSC011213261 [0,1,0,0,0,0|1,0,2]=4 18 B9R0.18 CCCCC(=O)OCCC CSC000169915 [0,1,0,0,0,0|0,0,2]=3 19 B9R0.18 CCCCS(=O)CCCC CSC000031468 [0,1,0,0,0,0|1,0,2]=4 20 B9R0.18 CCCNC(=O)NCC=C CSC000178634 [0,1,0,0,0,0|1,0,2]=4 21 B9R0.18 CCCNC(=O)NCCC CSC000163711 [0,1,0,0,0,0|1,0,2]=4 22 B9R0.34 CCC(C)NC(=O)CNC CSC000225638 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.34 CCC(C)NC(=O)COC CSC000157950 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.34 CCCC(=O)OC(C)CC CSC000062825 [0,1,0,0,0,0|1,0,2]=4 25 B9R0.34 CCOC(=O)CC(C)CC CSC011218107 [0,1,0,0,0,0|1,0,1]=3 26 B9R0.35 CCCC(C)C(=O)OCC CSC011217054 [0,1,0,0,0,0|1,0,1]=3 27 B9R0.48 CCCC(=O)OCC(C)C CSC000005790 [0,1,0,0,0,0|1,0,2]=4 28 B9R0.48 CCOC(=O)CCC(=O)C CSC011212338 [0,1,0,0,0,0|1,0,2]=4 29 B9R0.48 CCOC(=O)CCC(C)C CSC011212201 [0,1,0,0,0,0|1,0,1]=3 30 B9R0.48 CNCC(=O)NCC(C)C CSC000168150 [0,1,0,0,0,0|2,0,1]=4 31 B9R1.12 CCNCc1cccs1 CSC000186918 [0,0,0,1,0,0|1,1,1]=4 32 B9R1.12 CCNCc1ccsc1 CSC000201226 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.12 CCSCc1ccco1 CSC000028914 [0,0,0,1,0,0|1,0,2]=4 34 B9R1.73 CSCC(=O)N1CCC1 CSC015245199 [0,0,0,1,0,0|2,0,1]=4 35 B6R0.1 CCCC(=O)NO CSC000190123 [2,0,0,0,0,0|2,0,0]=4 36 B8R0.7 CCCCSCC(=C)C CSC000026947 [1,1,0,0,0,0|1,0,1]=4 37 B8R0.9 COC(=O)CSC(C)C CSC000151538 [1,1,0,0,0,0|2,0,0]=4 38 B8R0.25 CCCCS(=O)(=O)CC CSC000047449 [1,1,0,0,0,0|1,0,1]=4 39 B10R0.6 CCCCCC(=O)OC(C)C CSC000170157 [0,2,0,0,0,0|1,0,1]=4 40 B10R0.6 CCCCOC(=O)CC(C)C CSC011212304 [0,2,0,0,0,0|0,0,2]=4 41 B10R0.6 COCCOC(=O)C=C(C)C CSC000024270 [0,2,0,0,0,0|1,0,0]=3 42 B10R0.32 CCCC(C)C(=O)NC(C)C CSC000174269 [0,2,0,0,0,0|1,0,1]=4 43 B10R0.1 CCCC(=O)OCCCCO CSC000073227 [0,2,0,0,0,0|0,0,2]=4 44 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [0,2,0,0,0,0|1,0,1]=4 45 B10R0.1 CCCCCNC(=O)CNC CSC000225776 [0,2,0,0,0,0|1,0,1]=4 46 B10R0.1 CCCCCNC(=O)COC CSC000157996 [0,2,0,0,0,0|1,0,1]=4 47 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [0,2,0,0,0,0|0,0,2]=4 48 B10R0.1 CCOC(=O)CCSCCO CSC011325821 [0,2,0,0,0,0|1,0,1]=4 49 B10R0.1 COCCCNC(=O)COC CSC000159247 [0,2,0,0,0,0|1,0,1]=4 50 B10R0.2 CCCC(C)NC(=O)CNC CSC000225643 [0,2,0,0,0,0|1,0,1]=4 51 B10R0.2 CCCC(C)NC(=O)COC CSC000208403 [0,2,0,0,0,0|1,0,1]=4 52 B10R0.2 CCCC(O)CC(=O)OCC CSC011216533 [0,2,0,0,0,0|1,0,1]=4 53 B10R0.3 CCCC(=O)OCCC(C)C CSC000024463 [0,2,0,0,0,0|0,0,2]=4 54 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [0,2,0,0,0,0|1,0,1]=4 55 B10R0.3 CNCC(=O)NCCC(C)C CSC000213094 [0,2,0,0,0,0|1,0,1]=4 56 B10R0.3 COCC(=O)NCCC(C)C CSC000159411 [0,2,0,0,0,0|1,0,1]=4 57 B10R0.19 CCCOC(=O)C(C)CCC CSC011217736 [0,2,0,0,0,0|0,0,2]=4 58 B10R0.83 CCCCNC(=O)C(=O)NC CSC016213076 [0,2,0,0,0,0|1,0,0]=3 59 B10R0.91 CCCCC(=O)NCCC#C CSC011979654 [0,2,0,0,0,0|1,0,1]=4 60 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [0,2,0,0,0,0|0,0,2]=4 61 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [0,2,0,0,0,0|0,0,2]=4 62 B10R0.91 CCCCNC(=O)NCC=C CSC000178633 [0,2,0,0,0,0|0,0,2]=4 63 B10R0.91 CCCCNC(=O)NCCC CSC000163429 [0,2,0,0,0,0|0,0,2]=4 64 B10R0.46 CCC(C)NC(=O)C(=O)NC CSC015540854 [0,2,0,0,0,0|2,0,0]=4 65 B10R0.57 CNC(=O)C(=O)NCC(C)C CSC015427634 [0,2,0,0,0,0|2,0,0]=4 66 B10R0.78 CCCCC(=O)NCC(=O)O CSC000205572 [0,2,0,0,0,0|1,0,1]=4 67 B10R0.109 CCOC(=O)CCC(C)(C)C CSC012130662 [0,2,0,0,0,0|1,0,1]=4 68 B10R0.109 CCOC(=O)CCC(C)(F)F CSC000054117 [0,2,0,0,0,0|1,0,1]=4 69 B10R1.16 CCNCc1ccc(s1)C CSC000189073 [0,1,0,1,0,0|1,1,0]=4 70 B10R1.16 CCNCc1nc(cs1)C CSC011401589 [0,1,0,1,0,0|2,0,0]=4 71 B10R1.293 CCCNC(=O)C1CC1C CSC000161773 [0,1,0,1,0,0|0,0,2]=4 72 B10R1.10 CCCN1CCC=C(C1)F CSC046127184 [0,1,0,1,0,0|1,0,1]=4 73 B10R1.11 CCNC(=O)C1CCCN1 CSC011197115 [0,1,0,1,0,0|1,0,1]=4 74 B10R1.11 CCNC(=O)C1CCNC1 CSC011790733 [0,1,0,1,0,0|1,0,1]=4 75 B10R1.11 CCNC(=O)C1CCOC1 CSC011558105 [0,1,0,1,0,0|1,0,1]=4 76 B10R1.11 CCNC(=O)[C@@H]1CCCN1 CSC011422904 [0,1,0,1,0,0|1,0,1]=4 77 B10R1.11 CCNC(=O)[C@@H]1CCNC1 CSC018701730 [0,1,0,1,0,0|1,0,1]=4 78 B10R1.11 CCNC(=O)[C@H]1CCNC1 CSC015592258 [0,1,0,1,0,0|1,0,1]=4 79 B10R1.11 CCOC(=O)C1CCCO1 CSC000171706 [0,1,0,1,0,0|1,0,1]=4 80 B10R1.11 CCOC(=O)C1CCSC1 CSC012019184 [0,1,0,1,0,0|1,0,1]=4 81 B10R1.11 COCC(=O)N1CCCC1 CSC000158196 [0,1,0,1,0,0|1,0,1]=4 82 B10R1.21 CCCNCc1cccs1 CSC000186944 [0,1,0,1,0,0|0,1,1]=4 83 B10R1.21 CCCNCc1ccsc1 CSC000201670 [0,1,0,1,0,0|2,0,0]=4 84 B10R1.137 CCNC(=O)NC1CCC1 CSC011910442 [0,1,0,1,0,0|1,0,1]=4 85 B10R1.137 CCOC(=O)CC1CCC1 CSC012001245 [0,1,0,1,0,0|1,0,1]=4 86 B10R1.186 CCCCNC(=O)C1CC1 CSC000159052 [0,1,0,1,0,0|0,0,2]=4 87 B10R1.15 COC(=O)C1=CCCCC1 CSC011219632 [0,1,0,1,0,0|2,0,0]=4 88 B10R1.178 NCCNC(=O)C1CCC1 CSC000721965 [0,1,0,1,0,0|1,0,1]=4 89 B10R1.140 CCOC(=O)C1CC(C1)C CSC009829402 [0,1,0,1,0,0|1,0,1]=4 90 B10R1.401 CCNC(=O)C1(CCC1)N CSC012868886 [0,1,0,1,0,0|1,0,1]=4