0 B9R0.4 CC(=O)CC(=O)NCCO A11018 [1,0,0,0,0,0|2,0,0]=3 1 B9R0.48 CC(C)CNC(=O)CCN D86301 [1,0,0,0,0,0|2,0,1]=4 2 B9R0.48 CCOC(=O)OCC(C)C A12452 [1,0,0,0,0,0|1,0,1]=3 3 B9R0.55 CC(C)CCCCC(=O)O D95053 [1,0,0,0,0,0|2,0,1]=4 4 B11R0.93 COC(=O)CC(=O)CCC(C)C AB7550 [0,1,0,0,0,0|1,0,0]=2 5 B9R0.7 C=C(C)C(=O)OC[C@H](C)O D93082 [0,0,0,0,1,0|2,0,0]=3 6 B9R0.7 CC(C)CNC(=O)C(=O)O W18577 [0,0,0,0,1,0|2,0,0]=3 7 B9R0.53 CC(C)C[C@H](N)CC(=O)O F12354 [0,0,0,0,1,0|2,0,1]=4 8 B9R0.53 CC(C)OC(=O)OC(C)C C76030 [0,0,0,0,1,0|2,0,1]=4 9 B11R0.85 CC(=O)CCC(=O)OCC(C)C D93295 [0,0,0,0,0,1|0,0,0]=1 10 B11R0.85 CC(C)CCC(=O)CCN(C)C C71275 [0,0,0,0,0,1|3,0,0]=4 11 B11R0.85 CC(C)COC(=O)OCC(C)C D81477 [0,0,0,0,0,1|1,0,1]=3 12 B8R0.1 CCCC(=O)OCCO D81566 [2,0,0,0,0,0|1,0,1]=4 13 B8R0.5 CCCC(=O)CC(C)=O 79568 [2,0,0,0,0,0|0,0,0]=2 14 B8R0.5 CCC[C@H](C)CC(C)=O D93522 [2,0,0,0,0,0|1,0,1]=4 15 B8R0.5 CCOC(=O)CC(=O)[O-] C15698 [2,0,0,0,0,0|1,0,0]=3 16 B8R0.5 CCOC(=O)C[C@H](C)N H10190 [2,0,0,0,0,0|1,0,1]=4 17 B10R0.6 CC(=O)CC(=O)OCCC#N AC1591 [1,1,0,0,0,0|0,0,1]=3 18 B10R0.18 COCCC(=O)CC(=O)OC T72723 [1,1,0,0,0,0|2,0,0]=4 19 B10R0.108 CCCC(=O)OC[C@@H](O)CO A10828 [1,1,0,0,0,0|1,0,1]=4 20 B10R0.31 CC(=O)CC(=O)SC(C)(C)C A11053 [0,1,0,0,1,0|0,1,0]=3 21 B10R1.61 CC(=O)N1CCCCC1=O 50302 [1,0,0,1,0,0|2,0,0]=4 22 B10R1.61 O=C([O-])[C@@H]1CCCCC1=O F11699 [1,0,0,1,0,0|2,0,0]=4 23 B10R1.59 CC(C)[C@@H]1NC(=O)NC1=O C73260 [1,0,0,1,0,0|2,0,0]=4 24 B10R1.59 CC(C)[C@@H]1OC(N)=NC1=O C13413 [1,0,0,1,0,0|2,0,0]=4 25 B10R1.63 CC1(C)CCC(=O)NC1=O AB22481 [1,0,0,1,0,0|2,0,0]=4 26 B10R1.329 CC1(C)CC(=O)CC(=O)N1 76329 [0,0,0,1,1,0|1,0,0]=3 27 B12R1.101 CC(C)CC1CC(=O)OC(=O)C1 C73571 [0,0,0,1,0,1|2,0,0]=4 28 B12R1.1712 COC(=O)[C@H]1C(=O)NCC1(C)C 31720 [0,1,0,1,0,0|1,0,0]=3 29 B8R0.28 CC(=O)NCCC(C)C S10520 [1,0,0,0,1,0|1,0,1]=4 30 B8R0.28 CC(C)CNCC(=O)O W10796 [1,0,0,0,1,0|2,0,0]=4 31 B8R0.23 C=C(CC(C)C)C(C)=O H11904 [0,0,0,0,2,0|1,0,0]=3 32 B8R0.23 CC(=O)C(=O)OC(C)C C11673 [0,0,0,0,2,0|0,0,0]=2 33 B8R0.23 CC(C)OC(=O)N(C)C A11034 [0,0,0,0,2,0|2,0,0]=4