0 B6R0.5 NCCP(=O)(O)O M19574 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.5 NCCS(=O)(=O)O M10303 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.5 O=S(=O)([O-])CCO M19983 [0,0,0,0,0,0|0,1,1]=2 3 B6R0.5 O=S(=O)([O-])CCS M13089 [0,0,0,0,0,0|0,0,1]=1 4 B5R0.1 CCCC(=O)O M19749 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.1 CCCC(=O)[O-] M12232 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.1 CNCC(=O)O M17800 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 C[C@H](O)CCO M23286 [1,0,0,0,0,0|2,1,0]=4 8 B5R0.1 NCCC(=O)O M10320 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.1 NCCS(=O)O M20061 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.1 NOCC(=O)O M20571 [1,0,0,0,0,0|3,0,0]=4 11 B5R0.4 CCC(C)(C)O M19505 [1,0,0,0,0,0|3,0,0]=4 12 B5R0.4 COS(=O)(=O)O M15380 [1,0,0,0,0,0|1,0,0]=2 13 B5R0.4 COS(C)(=O)=O M29006 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.8 CS(=O)(=O)CCC#N M21999 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.8 NCCCP(=O)(O)O M28162 [0,1,0,0,0,0|2,0,1]=4 16 B7R0.8 NCCCS(=O)(=O)O M14268 [0,1,0,0,0,0|1,0,0]=2 17 B7R0.8 NCCOP(=O)(O)O M19543 [0,1,0,0,0,0|2,0,1]=4 18 B7R1.14 O=S1(=O)CCCN1 M22208 [0,0,0,1,0,0|2,0,0]=3 19 B4R0.1 CCC(=O)O M19664 [2,0,0,0,0,0|1,0,0]=3 20 B4R0.1 NCC(=O)O M18816 [2,0,0,0,0,0|2,0,0]=4 21 B4R0.1 O=C(O)CO M20606 [2,0,0,0,0,0|1,1,0]=4 22 B4R0.1 O=C([O-])CS M22100 [2,0,0,0,0,0|1,0,1]=4 23 B4R0.2 CCCCO M19029 [2,0,0,0,0,0|2,0,0]=4 24 B4R0.2 OCCCO M28314 [2,0,0,0,0,0|1,1,0]=4 25 B4R0.3 CS(C)(=O)=O M24689 [2,0,0,0,0,0|1,0,0]=3 26 B4R0.3 O=S(=O)(O)O M25051 [2,0,0,0,0,0|0,1,0]=3 27 B4R0.3 O=S(=O)([O-])[O-] M24754 [2,0,0,0,0,0|0,1,1]=4 28 B6R0.1 COC(=O)CCN M21383 [1,1,0,0,0,0|2,0,0]=4 29 B6R0.2 CC(C)CC(=O)O M20269 [1,1,0,0,0,0|2,0,0]=4 30 B6R0.2 CC(N)CC(=O)O M24529 [1,1,0,0,0,0|2,0,0]=4 31 B6R0.2 CC(O)CC(=O)O M19752 [1,1,0,0,0,0|1,1,0]=4 32 B6R0.2 C[C@@H](O)CC(=O)O M20064 [1,1,0,0,0,0|1,1,0]=4 33 B6R0.2 C[C@H](O)CC(=O)O M26587 [1,1,0,0,0,0|1,1,0]=4 34 B6R0.3 CC(CN)C(=O)O M19753 [1,1,0,0,0,0|2,0,0]=4 35 B6R0.3 CC[C@@H](N)C(=O)O M27073 [1,1,0,0,0,0|2,0,0]=4 36 B6R0.3 CC[C@H](N)C(=O)O M20001 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.3 C[C@@H](CN)C(=O)O M20747 [1,1,0,0,0,0|2,0,0]=4 38 B6R0.3 C[C@@H](CN)C(=O)O M20765 [1,1,0,0,0,0|2,0,0]=4 39 B6R0.3 NC(CO)C(=O)O M18819 [1,1,0,0,0,0|1,1,0]=4 40 B6R0.3 NC(CO)C(=O)O M21581 [1,1,0,0,0,0|1,1,0]=4 41 B6R0.3 NC(CS)C(=O)O M18739 [1,1,0,0,0,0|1,0,0]=3 42 B6R0.3 NC(CS)C(=O)O M21191 [1,1,0,0,0,0|1,0,0]=3 43 B6R0.3 NCC(N)C(=O)O M19732 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.3 NC[C@H](N)C(=O)O M20543 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.3 NC[C@H](N)C(=O)O M20745 [1,1,0,0,0,0|2,0,0]=4 46 B6R0.3 N[C@@H](CCl)C(=O)O M20568 [1,1,0,0,0,0|2,0,0]=4 47 B6R0.3 N[C@@H](CS)C(=O)O M24719 [1,1,0,0,0,0|1,0,0]=3 48 B6R0.3 N[C@@H](C[SeH])C(=O)O M28679 [1,1,0,0,0,0|1,1,0]=4 49 B6R0.3 N[C@H](CO)C(=O)O M21605 [1,1,0,0,0,0|1,1,0]=4 50 B6R0.3 N[C@H](CS)C(=O)O M26137 [1,1,0,0,0,0|1,0,0]=3 51 B6R0.4 C#CCCC(=O)O M15288 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.4 C=CCCC(=O)O M21389 [1,1,0,0,0,0|2,0,0]=4 53 B6R0.4 CCCCC(=O)O M19748 [1,1,0,0,0,0|2,0,0]=4 54 B6R0.4 CCOCC(=O)O M28131 [1,1,0,0,0,0|2,0,0]=4 55 B6R0.4 CSCCC(=O)O M20021 [1,1,0,0,0,0|1,0,0]=3 56 B6R0.4 NCCCC(=O)O M15043 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.7 CN(C)S(=O)(=O)Cl M11344 [1,1,0,0,0,0|2,0,0]=4 58 B6R1.2 O=C1CCSC1 M28139 [1,0,0,1,0,0|2,0,0]=4