0 B7R0.4 CCCCCC(C)N T0359 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.4 C\C=C\C=C\C(=O)O T8019 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.4 C\C=C\C=C\C(=O)[O-] T4807 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.4 NCCCCC(=O)O T5089 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.4 CSCCC(=O)O T5285 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.4 NCCCC(=O)O T0508 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.4 NC\C=C\C(=O)O T23414 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.4 O=C(O)\C=C\CO T23473 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.6 CC\C=C/CCO T22295 [1,0,0,0,0,0|1,0,1]=3 9 B8R0.5 CCOC(=O)CC(=O)O T4773 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.5 CCOC(=O)CC(=O)[O-] T22328 [0,1,0,0,0,0|2,0,1]=4 11 B8R0.7 CC(=O)NCCCCN T7508 [0,1,0,0,0,0|1,0,1]=3 12 B8R0.7 NCCCCCC(=O)O T0881 [0,1,0,0,0,0|1,0,2]=4 13 B8R0.8 CCCCC(O)C(=O)O T5224 [0,1,0,0,0,0|1,0,2]=4 14 B8R0.8 CCCC[C@H](N)C(=O)O T4765 [0,1,0,0,0,0|1,0,2]=4 15 B8R1.7 O=C(O)[C@@H]1CCCN1 T2O2683 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.7 O=C(O)[C@@H]1CCCN1 TN1593 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.7 O=C(O)[C@H]1CCCN1 T5302 [0,0,0,1,0,0|2,0,1]=4 18 B5R0.1 CC(C)=CCO T4747 [2,0,0,0,0,0|2,0,0]=4 19 B5R0.1 CCCC(=O)[O-] T1393 [2,0,0,0,0,0|1,0,0]=3 20 B5R0.1 CCOC(N)=O T0051 [2,0,0,0,0,0|2,0,0]=4 21 B5R0.1 CNCC(=O)O T6975 [2,0,0,0,0,0|2,0,0]=4 22 B5R0.1 C\C=C\C(=O)O T5301 [2,0,0,0,0,0|1,0,0]=3 23 B5R0.1 NCCC(=O)O T0627 [2,0,0,0,0,0|2,0,0]=4 24 B7R0.2 COC(=O)CC(C)=O T4851 [1,1,0,0,0,0|1,0,1]=4 25 B7R0.3 COC(=O)CCCN T22364 [1,1,0,0,0,0|1,0,1]=4 26 B7R0.5 CCCC(=O)C(=O)O T13484 [1,1,0,0,0,0|1,0,0]=3 27 B7R0.5 CCCC(C)C(=O)O T5685 [1,1,0,0,0,0|1,0,1]=4 28 B7R0.5 CCCC(N)C(=O)O T11054 [1,1,0,0,0,0|1,0,1]=4 29 B7R0.5 CCC[C@H](N)C(=O)O T4788 [1,1,0,0,0,0|1,0,1]=4 30 B9R0.24 COC(=O)\C=C\C(=O)OC T0492 [0,2,0,0,0,0|1,0,1]=4 31 B9R0.2 CC(=O)NCCCCCN T5222 [0,2,0,0,0,0|0,0,2]=4 32 B9R0.2 CCCCC\C=C\C(=O)O T5261 [0,2,0,0,0,0|1,0,0]=3 33 B7R1.3 O=C1CCCCO1 T4821 [1,0,0,1,0,0|1,0,0]=3 34 B9R1.66 CC1(O)CCOC(=O)C1 T1353 [0,1,0,1,0,0|1,0,1]=4 35 B9R1.6 O=C(O)C1=CCCNC1 T7557 [0,1,0,1,0,0|1,0,0]=3 36 B9R1.6 O=C(O)C1=CCCNC1 TN1717 [0,1,0,1,0,0|1,0,0]=3 37 B9R1.6 O=C(O)C1=CCNCC1 T11684 [0,1,0,1,0,0|1,0,0]=3