0 B5R0.3 CCC(C)C=O 96-17-3 [0,0,0,0,0,0|0,0,2]=2 1 B5R0.3 O=CC(O)CO 56-82-6 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 OCC(O)CO 56-81-5 [0,0,0,0,0,0|2,0,0]=2 3 B4R0.1 CCC(=O)O 79-09-4 [1,0,0,0,0,0|1,0,1]=3 4 B4R0.1 NCC(=O)O 56-40-6 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.2 COCCO 109-86-4 [1,0,0,0,0,0|1,0,0]=2 6 B4R0.2 NCCCN 109-76-2 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.3 CC(CN)C(=O)O 144-90-1 [0,1,0,0,0,0|1,0,1]=3 8 B6R0.3 CCC(=O)C(=O)O 600-18-0 [0,1,0,0,0,0|1,0,2]=4 9 B6R0.3 CCC(O)C(=O)[O-] 5094-24-6 [0,1,0,0,0,0|1,0,2]=4 10 B6R0.3 CC[C@H](N)C(=O)O 1492-24-6 [0,1,0,0,0,0|1,0,1]=3 11 B6R0.3 NC(CO)C(=O)O 56-45-1 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.3 NC(CS)C(=O)O 52-90-4 [0,1,0,0,0,0|2,0,1]=4 13 B6R0.3 NCC(N)C(=O)O 54897-59-5 [0,1,0,0,0,0|2,0,1]=4 14 B6R1.2 O=C1CCCC1 120-92-3 [0,0,0,1,0,0|2,0,1]=4 15 B3R0.1 NCCO 141-43-5 [2,0,0,0,0,0|1,0,0]=3 16 B3R0.1 NCCS 60-23-1 [2,0,0,0,0,0|1,1,0]=4 17 B3R0.2 CN(C)C 593-81-7 [2,0,0,0,0,0|1,0,0]=3 18 B5R0.1 CC(C)=CCO 556-82-1 [1,1,0,0,0,0|0,0,1]=3 19 B5R0.1 CCCC(=O)O 107-92-6 [1,1,0,0,0,0|1,0,1]=4 20 B5R0.1 CNCC(=O)O 107-97-1 [1,1,0,0,0,0|1,0,1]=4 21 B5R0.1 NCCC(=O)O 107-95-9 [1,1,0,0,0,0|1,0,1]=4 22 B5R0.1 NCCS(=O)O 300-84-5 [1,1,0,0,0,0|2,0,0]=4 23 B5R0.5 CC(C)C(=O)O 79-31-2 [1,1,0,0,0,0|0,0,1]=3 24 B5R0.5 CC(N)C(=O)O 56-41-7 [1,1,0,0,0,0|1,0,1]=4 25 B5R0.5 C[C@@H](N)C(=O)O 338-69-2 [1,1,0,0,0,0|1,0,1]=4 26 B5R0.5 C[C@@H](O)C(=O)[O-] 920-49-0 [1,1,0,0,0,0|1,0,1]=4 27 B5R0.5 C[C@@H](O)[C@@H](C)O 24347-58-8 [1,1,0,0,0,0|0,0,0]=2 28 B5R0.5 C[C@H](O)C(=O)O 79-33-4 [1,1,0,0,0,0|1,0,1]=4 29 B5R0.2 NCCCCN 110-60-1 [1,1,0,0,0,0|1,0,0]=3 30 B7R0.5 CCC[C@H](N)C(=O)O 6600-40-4 [0,2,0,0,0,0|1,0,1]=4 31 B7R0.5 NC(CCS)C(=O)O 454-29-5 [0,2,0,0,0,0|1,0,1]=4 32 B7R0.5 N[C@@H](CCO)C(=O)O 672-15-1 [0,2,0,0,0,0|1,0,1]=4 33 B7R0.10 OC[C@@H](O)[C@H](O)CO 7493-90-5 [0,2,0,0,0,0|1,0,0]=3 34 B7R0.10 OC[C@H](O)[C@H](O)CO 149-32-6 [0,2,0,0,0,0|1,0,0]=3 35 B7R0.16 CC(C)C(N)C(=O)O 72-18-4 [0,2,0,0,0,0|1,0,1]=4 36 B7R0.16 CC(C)C(O)C(=O)O 4026-18-0 [0,2,0,0,0,0|1,0,1]=4 37 B7R0.16 CC(O)C(N)C(=O)O 72-19-5 [0,2,0,0,0,0|1,0,1]=4 38 B7R0.16 C[C@H](O)[C@H](N)C(=O)O 28954-12-3 [0,2,0,0,0,0|1,0,1]=4 39 B7R1.19 NC1(C(=O)O)CC1 22059-21-8 [0,1,0,1,0,0|1,0,1]=4