0 B6R0.6 COCCCCO T7022 [0,0,0,0,0,0|0,1,2]=3 1 B6R0.6 NCCCCCN T4895 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.2 NCCCCN T22213 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.1 CSCCCN=C=S T7873 [0,1,0,0,0,0|0,1,1]=3 4 B7R0.4 CCCCCC(C)N T0359 [0,1,0,0,0,0|2,0,1]=4 5 B7R0.4 NCCCCC(=O)O T5089 [0,1,0,0,0,0|2,0,0]=3 6 B7R1.3 NN1CCCCC1 T0533 [0,0,0,1,0,0|3,0,0]=4 7 B7R1.3 O=C1CCCCO1 T4821 [0,0,0,1,0,0|2,0,0]=3 8 B7R1.4 C=C1CCOC1=O T5320 [0,0,0,1,0,0|2,0,1]=4 9 B7R1.4 NC1CCSC1=O T5968 [0,0,0,1,0,0|3,0,0]=4 10 B7R1.4 N[C@H]1CCSC1=O T19393 [0,0,0,1,0,0|3,0,0]=4 11 B4R0.2 CSSSC T8034 [2,0,0,0,0,0|2,0,0]=4 12 B6R0.4 C#CCCC(=O)O T0580 [1,1,0,0,0,0|0,0,2]=4 13 B6R0.4 C#CCCC(=O)[O-] T13893 [1,1,0,0,0,0|0,0,2]=4 14 B6R0.4 CSCCC(=O)O T5285 [1,1,0,0,0,0|0,0,0]=2 15 B6R0.4 NCCCC(=O)O T0508 [1,1,0,0,0,0|1,0,0]=3 16 B8R0.7 CC(=O)NCCCCN T7508 [0,2,0,0,0,0|2,0,0]=4 17 B8R0.7 NCCCCCC(=O)O T0881 [0,2,0,0,0,0|1,0,0]=3 18 B8R0.3 O=CC[C@H](O)[C@H](O)CO T4818 [0,2,0,0,0,0|2,0,0]=4 19 B8R0.8 CCCCC(O)C(=O)O T5224 [0,2,0,0,0,0|1,0,0]=3 20 B8R0.8 CCCC[C@H](N)C(=O)O T4765 [0,2,0,0,0,0|1,0,0]=3 21 B8R0.8 CSCCC(N)C(=O)O TJO2742 [0,2,0,0,0,0|0,0,0]=2 22 B8R0.8 CSCCC(O)C(=O)[O-] T5082 [0,2,0,0,0,0|0,0,0]=2 23 B8R0.8 CSCC[C@H](N)C(=O)O T4844 [0,2,0,0,0,0|0,0,0]=2 24 B8R0.8 C[Se]CCC(N)C(=O)O T1658 [0,2,0,0,0,0|0,1,0]=3 25 B8R0.8 C[Se]CC[C@H](N)C(=O)O T5372 [0,2,0,0,0,0|0,1,0]=3 26 B8R0.8 NCCC[C@@H](N)C(=O)O T0551 [0,2,0,0,0,0|2,0,0]=4 27 B8R0.8 NCCC[C@H](N)C(=O)O T0737 [0,2,0,0,0,0|2,0,0]=4 28 B8R0.8 NCCC[C@H](N)C(=O)O T2O2701 [0,2,0,0,0,0|2,0,0]=4 29 B8R0.9 C=CC(N)CCC(=O)O T0128 [0,2,0,0,0,0|1,0,1]=4 30 B8R0.28 CC(=O)NCCC(=O)O T1373 [0,2,0,0,0,0|2,0,0]=4 31 B8R0.28 O=C(O)CCCC(=O)O T4794 [0,2,0,0,0,0|2,0,0]=4 32 B6R1.2 O=C1NCCN1 T0630 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.11 CCN1CCCC1=O T13823 [0,1,0,1,0,0|1,0,0]=3 34 B8R1.50 N[C@H]1CCN(O)C1=O T23298 [0,1,0,1,0,0|2,0,0]=4 35 B8R1.7 O=C(O)C1CSCN1 T0221 [0,1,0,1,0,0|1,0,0]=3 36 B8R1.7 O=C(O)C1CSSC1 T10388 [0,1,0,1,0,0|1,0,0]=3 37 B8R1.7 O=C(O)[C@@H]1CCCN1 T2O2683 [0,1,0,1,0,0|2,0,0]=4 38 B8R1.7 O=C(O)[C@@H]1CCCN1 TN1593 [0,1,0,1,0,0|2,0,0]=4 39 B8R1.7 O=C(O)[C@@H]1CSCN1 T4292 [0,1,0,1,0,0|1,0,0]=3 40 B8R1.7 O=C(O)[C@H]1CCCN1 T5302 [0,1,0,1,0,0|2,0,0]=4