0 B8R0.9 COC(=O)CCC(C)=O TN4548 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 COC(=O)CCCN T22364 [1,0,0,0,0,0|3,0,0]=4 2 B7R0.6 CC(C)CCC(O)=O T19138 [1,0,0,0,0,0|2,0,0]=3 3 B9R0.7 CC(O)CNC(=O)C(C)=C T12137 [0,1,0,0,0,0|2,0,1]=4 4 B9R0.23 COC(=O)C(O)CC(C)C T9509 [0,1,0,0,0,0|2,0,0]=3 5 B9R1.138 CC1(C)COC(=O)C1=O T20466 [0,0,0,1,0,0|1,0,1]=3 6 B9R1.138 CC1(C)COC(=O)[C@@H]1O T4828 [0,0,0,1,0,0|1,0,0]=2 7 B7R0.2 CC(C)C[C@H](N)CO T5652 [0,0,0,0,1,0|2,0,1]=4 8 B7R0.2 COC(=O)CC(C)=O T4851 [0,0,0,0,1,0|2,0,1]=4 9 B6R0.1 COC(=O)CCN T8097 [2,0,0,0,0,0|2,0,0]=4 10 B6R0.4 CC(C)CCC=O T20931 [2,0,0,0,0,0|1,0,0]=3 11 B6R0.6 CC/C=C\CCO T22295 [2,0,0,0,0,0|2,0,0]=4 12 B6R0.6 CCC/C=C/CO TN5162 [2,0,0,0,0,0|2,0,0]=4 13 B8R0.8 CCCOC(=O)C(C)=C T20387 [1,1,0,0,0,0|0,0,1]=3 14 B8R0.19 CCC(C)CC(=O)CC TN3128 [1,1,0,0,0,0|1,0,0]=3 15 B8R0.28 CC(C)CCCC(C)N T22389 [1,1,0,0,0,0|1,0,1]=4 16 B8R0.23 CC(C)C(N)CC(O)=O T5569 [1,1,0,0,0,0|2,0,0]=4 17 B8R0.23 CC(C)CC(=O)C(O)=O T5071 [1,1,0,0,0,0|2,0,0]=4 18 B8R0.23 CC(C)CC(N)C(O)=O T4772 [1,1,0,0,0,0|2,0,0]=4 19 B8R0.23 CC(C)C[C@@H](O)C(O)=O T19539 [1,1,0,0,0,0|2,0,0]=4 20 B8R0.23 CC(C)C[C@H](C(O)=O)N T9299 [1,1,0,0,0,0|2,0,0]=4 21 B8R0.23 CC(C)C[C@H](N)C(O)=O T3O2749 [1,1,0,0,0,0|2,0,0]=4 22 B8R0.23 CC(C)C[C@H](N)[13C](O)=O T32811 [1,1,0,0,0,0|2,0,0]=4 23 B8R0.23 CC(C)C[C@H](O)C(O)=O T5294 [1,1,0,0,0,0|2,0,0]=4 24 B8R0.29 CC(C)(O)CCC([O-])=O T29058 [1,1,0,0,0,0|2,0,0]=4 25 B10R0.3 CCCC(=O)OCCC(C)C TN6702 [0,1,0,0,0,1|0,0,0]=2 26 B10R0.98 CN(C)CCOC(=O)C(C)=C T31739 [0,1,0,0,0,1|1,0,1]=4 27 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C T31711 [0,2,0,0,0,0|1,0,0]=3 28 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C T31711L [0,2,0,0,0,0|1,0,0]=3 29 B8R1.1 CCC1CCC(=O)O1 T8098 [1,0,0,1,0,0|0,0,0]=2 30 B8R1.1 COC1CCC(=O)N1 TN4855 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.1 OC[C@H]1CCC(=O)C1 TN2951 [1,0,0,1,0,0|2,0,0]=4 32 B8R1.5 CC1CCCCC1=O T36789 [1,0,0,1,0,0|1,0,0]=3 33 B8R1.5 NC1CCCNC1=O T13495 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.22 O=C1CCCCCN1 T20386 [1,0,0,1,0,0|1,0,0]=3 35 B8R1.22 O=C1NCCCCC1 T20195 [1,0,0,1,0,0|1,0,0]=3 36 B8R1.22 O=C1NCCCCC1 T32363 [1,0,0,1,0,0|1,0,0]=3 37 B8R1.51 CC1(C)COC(N)=N1 T35183 [1,0,0,1,0,0|2,0,0]=4 38 B10R1.13 CC(C)C1CCC(=C)C=C1 T5621 [0,0,0,1,0,1|2,0,0]=4 39 B10R1.205 CC(=C)C(=O)OCC1CO1 T20009 [0,1,0,1,0,0|1,0,1]=4 40 B6R0.2 CC(C)CC(N)=O T0361 [1,0,0,0,1,0|1,0,0]=3 41 B6R0.2 CC(C)CC(O)=O T5609 [1,0,0,0,1,0|1,0,0]=3 42 B6R0.2 CC(C)OC([S-])=S T20111 [1,0,0,0,1,0|1,1,0]=4 43 B6R0.2 CC(CC(O)=O)N TN6756 [1,0,0,0,1,0|2,0,0]=4 44 B6R0.2 CC(O)CC(O)=O T4947 [1,0,0,0,1,0|2,0,0]=4 45 B6R0.2 CN(C)CC(O)=O T4120 [1,0,0,0,1,0|2,0,0]=4 46 B6R0.2 C[C@@H](O)CC(O)=O T5248 [1,0,0,0,1,0|2,0,0]=4 47 B6R0.2 C[C@H](O)CC(O)=O T13979 [1,0,0,0,1,0|2,0,0]=4