0 B9R0.5 CCCC(=O)NCCSC CSC000161292 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.5 CCCCCC(=O)OCC CSC000170156 [0,0,0,0,0,0|0,0,2]=2 2 B9R0.5 CCCCNC(=O)NCC CSC000163430 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.5 CCCCOC(=O)CCC CSC011212260 [0,0,0,0,0,0|2,0,2]=4 4 B9R0.5 CCNC(=O)NCCC#C CSC011979724 [0,0,0,0,0,0|2,0,2]=4 5 B9R0.5 CCNC(=O)NCCOC CSC000163157 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.5 CCOC(=O)CCCC#N CSC009871613 [0,0,0,0,0,0|1,0,1]=2 7 B9R0.5 CCOC(=O)CSCC#N CSC000172129 [0,0,0,0,0,0|2,0,1]=3 8 B8R0.1 CCOC(=O)CCSC CSC000173045 [1,0,0,0,0,0|1,0,1]=3 9 B8R0.1 CCOC(=O)CSCC CSC000172126 [1,0,0,0,0,0|1,0,1]=3 10 B8R0.6 CCCSCC(=O)OC CSC000151543 [1,0,0,0,0,0|1,0,2]=4 11 B8R0.6 COC(=O)CCCSC CSC011216297 [1,0,0,0,0,0|1,0,1]=3 12 B8R0.6 COC(=O)CSCC#N CSC000151542 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.6 COC(=O)CSCC=C CSC000151546 [1,0,0,0,0,0|1,0,0]=2 14 B10R0.1 CCCC(=O)OCCCCO CSC000073227 [0,1,0,0,0,0|2,0,1]=4 15 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [0,1,0,0,0,0|0,0,2]=3 16 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [0,1,0,0,0,0|1,0,2]=4 17 B10R0.1 CCOC(=O)CCSCCO CSC011325821 [0,1,0,0,0,0|1,0,1]=3 18 B10R0.2 CCCC(O)CC(=O)OCC CSC011216533 [0,1,0,0,0,0|0,0,2]=3 19 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [0,1,0,0,0,0|0,0,1]=2 20 B10R0.3 CCOC(=O)CSCC(=O)C CSC000172134 [0,1,0,0,0,0|1,0,1]=3 21 B10R0.6 CCCCCC(=O)OC(C)C CSC000170157 [0,1,0,0,0,0|0,0,2]=3 22 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [0,1,0,0,0,0|0,0,3]=4 23 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [0,1,0,0,0,0|0,0,2]=3 24 B10R0.91 CCOCC(=O)NCCC#C CSC011979636 [0,1,0,0,0,0|1,0,2]=4 25 B10R1.11 CCNC(=O)C1CCCN1 CSC011197115 [0,0,0,1,0,0|2,0,1]=4 26 B10R1.11 CCNC(=O)C1CCNC1 CSC011790733 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.11 CCNC(=O)C1CCOC1 CSC011558105 [0,0,0,1,0,0|2,0,1]=4 28 B10R1.11 CCNC(=O)[C@@H]1CCCN1 CSC011422904 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.11 CCNC(=O)[C@@H]1CCNC1 CSC018701730 [0,0,0,1,0,0|2,0,1]=4 30 B10R1.11 CCNC(=O)[C@H]1CCNC1 CSC015592258 [0,0,0,1,0,0|2,0,1]=4 31 B10R1.11 CCOC(=O)C1=CCCC1 CSC009876662 [0,0,0,1,0,0|0,0,2]=3 32 B10R1.11 CCOC(=O)C1CC=CC1 CSC011934596 [0,0,0,1,0,0|0,0,2]=3 33 B10R1.11 CCOC(=O)C1CCCO1 CSC000171706 [0,0,0,1,0,0|1,0,1]=3 34 B10R1.11 CCOC(=O)C1CCSC1 CSC012019184 [0,0,0,1,0,0|1,0,1]=3 35 B10R1.11 CCOC(=O)c1ccco1 CSC000169938 [0,0,0,1,0,0|1,0,2]=4 36 B10R1.11 CCOC(=O)c1cccs1 CSC000170332 [0,0,0,1,0,0|1,0,2]=4 37 B10R1.11 CCOC(=O)c1ccoc1 CSC011213098 [0,0,0,1,0,0|1,0,2]=4 38 B10R1.11 CCOC(=O)c1ccsc1 CSC011212746 [0,0,0,1,0,0|1,0,2]=4 39 B10R1.137 CCOC(=O)CC1CCC1 CSC012001245 [0,0,0,1,0,0|0,0,2]=3 40 B9R0.4 CC(C)CC(=O)OCC=C CSC000006416 [1,1,0,0,0,0|2,0,0]=4 41 B9R0.4 CCCCC(=O)OC(C)C CSC000169914 [1,1,0,0,0,0|0,0,1]=3 42 B9R0.18 CCCCC(=O)OCCC CSC000169915 [1,1,0,0,0,0|0,0,1]=3 43 B9R0.18 CCCNC(=O)NCC=C CSC000178634 [1,1,0,0,0,0|2,0,0]=4 44 B9R0.34 CCOC(=O)CC(C)CC CSC011218107 [1,1,0,0,0,0|0,0,1]=3 45 B9R0.35 CCCC(C)C(=O)OCC CSC011217054 [1,1,0,0,0,0|0,0,1]=3 46 B9R0.48 CCNC(=O)NCC(=C)C CSC012183401 [1,1,0,0,0,0|2,0,0]=4 47 B9R0.48 CCOC(=O)CCC(=O)C CSC011212338 [1,1,0,0,0,0|0,0,1]=3 48 B9R0.48 CCOC(=O)CCC(C)C CSC011212201 [1,1,0,0,0,0|0,0,1]=3 49 B9R0.1 COC(=O)CCCC(=O)C CSC000015542 [1,1,0,0,0,0|0,0,1]=3 50 B9R0.1 COC(=O)CSCC(=O)C CSC000151549 [1,1,0,0,0,0|1,0,1]=4 51 B9R0.24 CCC(C)CCC(=O)OC CSC000079262 [1,1,0,0,0,0|0,0,2]=4 52 B11R0.4 CCCC(=O)OCCC=CCC CSC020647322 [0,2,0,0,0,0|2,0,0]=4 53 B11R0.4 CCCCSCCC(=O)OCC CSC011325042 [0,2,0,0,0,0|0,0,2]=4 54 B11R0.5 CCOC(=O)CN(C)CCOC CSC011408476 [0,2,0,0,0,0|1,0,1]=4 55 B11R0.174 CCOC(=O)CSCC(=O)OC CSC000151535 [0,2,0,0,0,0|1,0,1]=4 56 B11R0.176 CCCC(=O)OCCCC(=O)C CSC000031040 [0,2,0,0,0,0|1,0,1]=4 57 B11R0.165 CC(C)(C)OC(=O)NCCC=C CSC012184765 [0,2,0,0,0,0|1,0,0]=3 58 B11R0.191 CCCCC(CC)C(=O)OCC CSC011302611 [0,2,0,0,0,0|0,0,2]=4 59 B11R0.46 CCCCCC(=O)OCC(C)C CSC000005847 [0,2,0,0,0,0|0,0,2]=4 60 B11R0.140 CCCCCC(=O)OCCCC CSC011212308 [0,2,0,0,0,0|0,0,2]=4 61 B9R1.11 COC(=O)C1CCCS1 CSC012019181 [1,0,0,1,0,0|1,0,1]=4 62 B11R1.16 CCOC(=O)C1CCC=CC1 CSC011212228 [0,1,0,1,0,0|0,0,0]=2 63 B11R1.16 CCOC(=O)C1CCC=CO1 CSC000082644 [0,1,0,1,0,0|0,0,0]=2 64 B11R1.30 CCOC(=O)CC1CCCO1 CSC011219920 [0,1,0,1,0,0|0,0,2]=4 65 B11R1.30 CCOC(=O)CN1CCCC1 CSC000188105 [0,1,0,1,0,0|0,0,2]=4 66 B11R1.30 CCOC(=O)Cc1cccs1 CSC000172993 [0,1,0,1,0,0|0,0,2]=4 67 B11R1.30 CCOC(=O)Cc1ccsc1 CSC000170396 [0,1,0,1,0,0|0,0,2]=4 68 B11R1.30 CCOC(=O)Cc1cscn1 CSC012017151 [0,1,0,1,0,0|1,0,1]=4 69 B11R1.30 CCOC(=O)Cn1cccn1 CSC011213127 [0,1,0,1,0,0|1,0,1]=4 70 B11R1.15 CCOC(=O)C1CNC(=O)C1 CSC011840728 [0,1,0,1,0,0|1,0,1]=4 71 B11R1.819 CCOC(=O)C1(CCCC1)O CSC011290502 [0,1,0,1,0,0|0,0,2]=4