0 B8R0.1 CCOC(=O)CCSC CSC000173045 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.1 CCOC(=O)CSCC CSC000172126 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.4 CC(C)CC(=O)OCC=C CSC000006416 [0,1,0,0,0,0|2,0,0]=3 3 B9R0.4 CCCCC(=O)OC(C)C CSC000169914 [0,1,0,0,0,0|0,0,2]=3 4 B9R0.4 CNCCC(=O)NC(C)C CSC011534604 [0,1,0,0,0,0|2,0,1]=4 5 B9R0.5 CCCC(=O)NCCSC CSC000161292 [0,1,0,0,0,0|2,0,1]=4 6 B9R0.5 CCCCCC(=O)OCC CSC000170156 [0,1,0,0,0,0|0,0,2]=3 7 B9R0.5 CCCCNC(=O)NCC CSC000163430 [0,1,0,0,0,0|1,0,2]=4 8 B9R0.5 CCCCOC(=O)CCC CSC011212260 [0,1,0,0,0,0|1,0,2]=4 9 B9R0.5 CCNC(=O)NCCC#C CSC011979724 [0,1,0,0,0,0|1,0,2]=4 10 B9R0.5 CCNC(=O)NCCOC CSC000163157 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.5 CCOC(=O)CCCC#N CSC009871613 [0,1,0,0,0,0|0,0,2]=3 12 B9R0.5 CCOC(=O)CSCC#N CSC000172129 [0,1,0,0,0,0|1,0,1]=3 13 B9R0.8 CNC(=O)C(=O)NCC=C CSC015417811 [0,1,0,0,0,0|3,0,0]=4 14 B9R0.18 C=CCNC(=O)NCC=C CSC000024405 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.18 CCCCC(=O)OCCC CSC000169915 [0,1,0,0,0,0|0,0,2]=3 16 B9R0.18 CCCNC(=O)NCC=C CSC000178634 [0,1,0,0,0,0|2,0,0]=3 17 B9R0.34 CCOC(=O)CC(C)CC CSC011218107 [0,1,0,0,0,0|0,0,2]=3 18 B9R0.35 CCCC(C)C(=O)OCC CSC011217054 [0,1,0,0,0,0|0,0,2]=3 19 B9R0.48 CCNC(=O)NCC(=C)C CSC012183401 [0,1,0,0,0,0|2,0,0]=3 20 B9R0.48 CCOC(=O)CCC(=O)C CSC011212338 [0,1,0,0,0,0|0,0,1]=2 21 B9R0.48 CCOC(=O)CCC(C)C CSC011212201 [0,1,0,0,0,0|0,0,2]=3 22 B8R0.25 CCS(=O)(=O)NCC=C CSC000169656 [1,1,0,0,0,0|2,0,0]=4 23 B10R0.6 CCCCCC(=O)OC(C)C CSC000170157 [0,2,0,0,0,0|0,0,2]=4 24 B10R0.18 CCC(C)NC(=O)NCC=C CSC000048116 [0,2,0,0,0,0|2,0,0]=4 25 B10R0.28 CC(C)(C)OC(=O)NCC=C CSC000766460 [0,2,0,0,0,0|1,0,0]=3 26 B10R0.96 CC(C)NC(=O)CCC(=O)O CSC000199435 [0,2,0,0,0,0|2,0,0]=4 27 B10R0.96 CC(C)OC(=O)CCC(=O)C CSC000031084 [0,2,0,0,0,0|0,0,1]=3 28 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [0,2,0,0,0,0|0,0,2]=4 29 B10R0.1 CCOC(=O)CCSCCO CSC011325821 [0,2,0,0,0,0|0,0,2]=4 30 B10R0.2 CCCC(O)CC(=O)OCC CSC011216533 [0,2,0,0,0,0|0,0,2]=4 31 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [0,2,0,0,0,0|0,0,1]=3 32 B10R0.3 CCOC(=O)CSCC(=O)C CSC000172134 [0,2,0,0,0,0|0,0,1]=3 33 B10R0.19 CCCOC(=O)C(C)CCC CSC011217736 [0,2,0,0,0,0|0,0,2]=4 34 B10R0.91 C=CCCC(=O)NCCC#C CSC011979618 [0,2,0,0,0,0|1,0,0]=3 35 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [0,2,0,0,0,0|2,0,0]=4 36 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [0,2,0,0,0,0|0,0,2]=4 37 B10R0.91 CCCCNC(=O)NCC=C CSC000178633 [0,2,0,0,0,0|2,0,0]=4 38 B10R0.91 CCOCC(=O)NCCC#C CSC011979636 [0,2,0,0,0,0|0,0,2]=4 39 B10R0.108 CCOC(=O)CNC(=O)CN CSC011367924 [0,2,0,0,0,0|1,0,1]=4 40 B10R0.108 CCOC(=O)NCC(=O)OC CSC000161429 [0,2,0,0,0,0|1,0,1]=4 41 B10R0.129 CCOC(=O)C(C)(C)CC=C CSC000082643 [0,2,0,0,0,0|0,0,0]=2 42 B10R0.109 CCOC(=O)CCC(C)(C)C CSC012130662 [0,2,0,0,0,0|0,0,2]=4 43 B10R0.109 CCOC(=O)CCC(C)(F)F CSC000054117 [0,2,0,0,0,0|0,0,2]=4 44 B10R0.109 CCOC(=O)CCC(F)(F)F CSC011215681 [0,2,0,0,0,0|1,0,1]=4 45 B10R1.180 C=CCNC(=O)NC1CC1 CSC000235201 [0,1,0,1,0,0|2,0,0]=4 46 B10R1.11 CCOC(=O)C1=CCCC1 CSC009876662 [0,1,0,1,0,0|0,0,1]=3 47 B10R1.11 CCOC(=O)C1CC=CC1 CSC011934596 [0,1,0,1,0,0|0,0,0]=2 48 B10R1.11 CCOC(=O)C1CCCO1 CSC000171706 [0,1,0,1,0,0|0,0,2]=4 49 B10R1.11 CCOC(=O)C1CCSC1 CSC012019184 [0,1,0,1,0,0|0,0,2]=4 50 B10R1.11 CCOC(=O)c1ccco1 CSC000169938 [0,1,0,1,0,0|0,0,2]=4 51 B10R1.11 CCOC(=O)c1cccs1 CSC000170332 [0,1,0,1,0,0|0,0,2]=4 52 B10R1.11 CCOC(=O)c1ccoc1 CSC011213098 [0,1,0,1,0,0|0,0,2]=4 53 B10R1.11 CCOC(=O)c1ccsc1 CSC011212746 [0,1,0,1,0,0|0,0,2]=4 54 B10R1.11 CCOC(=O)c1nccs1 CSC011468584 [0,1,0,1,0,0|1,0,1]=4 55 B10R1.137 CCOC(=O)CC1CCC1 CSC012001245 [0,1,0,1,0,0|0,0,2]=4 56 B10R1.140 CCOC(=O)C1CC(=O)C1 CSC000094141 [0,1,0,1,0,0|0,0,1]=3 57 B10R1.140 CCOC(=O)C1CC(C1)C CSC009829402 [0,1,0,1,0,0|0,0,2]=4