0 B8R0.8 CCCCC(C)C(=O)O M21371 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.8 CCCCC(O)C(=O)O M20063 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.8 CCCC[C@H](N)C(=O)O M19595 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.8 CSCCC(=O)C(=O)[O-] M28000 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.8 CSCCC(N)C(=O)O M18867 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.8 CSCCC(O)C(=O)[O-] M19845 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.8 CSCC[C@H](N)C(=O)O M19651 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.8 C[Se]CCC(N)C(=O)O M11993 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.8 C[Se]CC[C@H](N)C(=O)O M20121 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.8 NCCCC(N)C(=O)O M18420 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.8 NCCC[C@@H](N)C(=O)O M12545 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.8 NCCC[C@H](N)C(=O)O M15698 [0,0,0,0,0,0|3,0,1]=4 12 B8R0.8 NCCC[C@H](N)C(=O)O M27087 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.3 COC(=O)CCCN M27562 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.4 CCCCCC(=O)O M19562 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.4 CCCCCC(C)N M10956 [1,0,0,0,0,0|1,0,2]=4 16 B7R0.4 CCCCCC(C)O M28052 [1,0,0,0,0,0|0,0,3]=4 17 B7R0.4 NCCCCC(=O)O M19658 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.5 CCCC(C)C(=O)O M20371 [1,0,0,0,0,0|2,0,1]=4 19 B7R0.5 CCCC(N)C(=O)O M26165 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.5 CCC[C@H](N)C(=O)O M19655 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.5 CCOC(=O)C(C)=O M21386 [1,0,0,0,0,0|1,0,0]=2 22 B7R0.5 CC\C=C(/C)C(=O)O M21395 [1,0,0,0,0,0|2,0,1]=4 23 B9R0.7 C=C(C)C(=O)NCC(C)O M26312 [0,1,0,0,0,0|2,0,0]=3 24 B9R0.7 O=C(O)CCC(=O)C(=O)O M20576 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.7 O=C(O)CCC(=O)C(=O)O M27361 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.7 O=C(O)CCC(=O)C(=O)[O-] M19760 [0,1,0,0,0,0|2,0,1]=4 27 B9R0.7 O=C([O-])CCC(=O)C(=O)[O-] M24363 [0,1,0,0,0,0|2,0,1]=4 28 B9R0.47 CCCCCC(C)C(=O)O M21372 [0,1,0,0,0,0|2,0,1]=4 29 B9R0.47 CCSCC[C@H](N)C(=O)O M23462 [0,1,0,0,0,0|2,0,1]=4 30 B9R0.47 NCCCCC(N)C(=O)O M18826 [0,1,0,0,0,0|2,0,1]=4 31 B9R0.47 NCCCC[C@H](N)C(=O)O M21400 [0,1,0,0,0,0|2,0,1]=4 32 B9R1.6 O=C(O)C1=CCCNC1 M20972 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.6 O=C(O)C1=CCNCC1 M26261 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.6 O=C(O)C1CCCCC1 M20308 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.6 O=C(O)C1CCCCN1 M19618 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.6 O=C(O)[C@@H]1CCCCN1 M19590 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.163 NC1(C(=O)O)CCCC1 M28811 [0,0,0,1,0,0|2,0,1]=4 38 B6R0.1 COC(=O)CCN M21383 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.4 CCCCC(=O)O M19748 [2,0,0,0,0,0|0,0,1]=3 40 B6R0.4 CCCCC(C)=O M20883 [2,0,0,0,0,0|0,0,0]=2 41 B6R0.4 CCOCC(=O)O M28131 [2,0,0,0,0,0|1,0,1]=4 42 B6R0.4 CSCCC(=O)O M20021 [2,0,0,0,0,0|1,0,1]=4 43 B6R0.4 NCCCC(=O)O M15043 [2,0,0,0,0,0|1,0,1]=4 44 B6R0.6 CCC\C=C\C=O M21392 [2,0,0,0,0,0|0,0,1]=3 45 B6R0.3 CCC(=O)C(=O)O M19854 [2,0,0,0,0,0|1,0,0]=3 46 B6R0.3 O=C(O)C(=O)CBr M20515 [2,0,0,0,0,0|2,0,0]=4 47 B8R0.7 CC(=O)NCCCCN M20805 [1,1,0,0,0,0|1,0,0]=3 48 B8R0.7 CCCCCCC(=O)O M19552 [1,1,0,0,0,0|1,0,1]=4 49 B8R0.7 NCCCCCC(=O)O M15254 [1,1,0,0,0,0|1,0,1]=4 50 B8R0.28 CC(=O)CCC=C(C)C M29386 [1,1,0,0,0,0|1,0,1]=4 51 B8R0.2 CCC(C)C(=O)C(=O)O M21412 [1,1,0,0,0,0|1,0,0]=3 52 B8R0.23 CC(C)CC(=O)C(=O)O M19851 [1,1,0,0,0,0|1,0,0]=3 53 B10R0.96 CC(=O)CC(=O)CCC(=O)O M21430 [0,1,0,0,0,1|1,0,1]=4 54 B10R0.83 C=C(C#N)C(=O)OCCCC M22709 [0,2,0,0,0,0|1,0,1]=4 55 B10R0.98 O=C(O)CCCC(=O)C(=O)O M19687 [0,2,0,0,0,0|1,0,1]=4 56 B8R1.1 CCC1CCC(=O)O1 M21388 [1,0,0,1,0,0|1,0,1]=4 57 B8R1.5 CC1CCCCC1=O M28092 [1,0,0,1,0,0|0,0,1]=3 58 B8R1.22 O=C1CCCCCN1 M27265 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.4 CC1CCNC(=N)C1 M27452 [1,0,0,1,0,0|2,0,0]=4 60 B10R1.15 COC(=O)C1=CCCNC1 M20598 [0,1,0,1,0,0|2,0,0]=4 61 B10R1.15 COC(=O)C1CCCCC1 M27564 [0,1,0,1,0,0|1,0,1]=4