0 B7R0.1 CCCCCCCO TN6893 [1,0,0,0,0,0|2,0,1]=4 1 B7R0.1 CCCSSCCC TN6758 [1,0,0,0,0,0|3,0,0]=4 2 B7R0.3 CO/C=C/C(=O)OC TN6402 [1,0,0,0,0,0|1,0,2]=4 3 B7R0.3 COC(=O)CCCN T22364 [1,0,0,0,0,0|1,0,0]=2 4 B9R0.18 OCCCC(=O)NCCO T31724 [0,1,0,0,0,0|2,0,0]=3 5 B9R1.8 CCCC1NCCCC1 TN3695 [0,0,0,1,0,0|2,0,1]=4 6 B6R0.6 CC/C=C\CCO T22295 [2,0,0,0,0,0|1,0,1]=4 7 B6R0.6 CCC/C=C/CO TN5162 [2,0,0,0,0,0|1,0,1]=4 8 B6R0.6 CCCCCCO TN6891 [2,0,0,0,0,0|1,0,1]=4 9 B6R0.1 COC(=O)CCN T8097 [2,0,0,0,0,0|1,0,0]=3 10 B6R0.4 CCOCC(O)=O T37501 [2,0,0,0,0,0|1,0,0]=3 11 B6R0.4 COCCC(O)=O T20899 [2,0,0,0,0,0|1,0,0]=3 12 B6R0.4 CSCCC(O)=O T5285 [2,0,0,0,0,0|1,0,0]=3 13 B6R0.4 NCCCC(O)=O T0508 [2,0,0,0,0,0|1,0,0]=3 14 B6R0.4 OC(=O)CCC#C T0580 [2,0,0,0,0,0|0,0,2]=4 15 B6R0.4 OC(=O)CCC=C T8032 [2,0,0,0,0,0|0,0,2]=4 16 B8R0.6 CCCCCC(O)CC TN1267 [1,1,0,0,0,0|1,0,1]=4 17 B8R0.8 CCCOC(=O)C(C)=C T20387 [1,1,0,0,0,0|1,0,1]=4 18 B8R0.9 COC(=O)CCC(C)=O TN4548 [1,1,0,0,0,0|0,0,1]=3 19 B8R0.19 CCC(C)CC(=O)CC TN3128 [1,1,0,0,0,0|0,0,0]=2 20 B8R0.19 COC(=O)CC(=O)OC T5695 [1,1,0,0,0,0|1,0,1]=4 21 B8R0.25 CCP(O)(=O)CCCN T22647 [1,1,0,0,0,0|2,0,0]=4 22 B8R0.5 CCOC(=O)CC(C)=O T15254 [1,1,0,0,0,0|0,0,1]=3 23 B8R0.5 CCOC(=O)CC(C)O T19314 [1,1,0,0,0,0|0,0,0]=2 24 B8R0.5 CCOC(=O)CC(O)=O T4773 [1,1,0,0,0,0|1,0,1]=4 25 B8R0.5 CCOC(=O)CC([O-])=O T22328 [1,1,0,0,0,0|1,0,1]=4 26 B8R0.30 CCCS(=O)(=O)CCC T31522 [1,1,0,0,0,0|2,0,0]=4 27 B8R0.30 CCOP(O)(=O)OCC T7192 [1,1,0,0,0,0|2,0,0]=4 28 B10R0.28 CC(C)(C)OC(=O)NCCN T18616 [0,2,0,0,0,0|2,0,0]=4 29 B10R0.28 CC(C)(C)OC(=O)NCCO T17659 [0,2,0,0,0,0|2,0,0]=4 30 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C T31711 [0,2,0,0,0,0|0,0,0]=2 31 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C T31711L [0,2,0,0,0,0|0,0,0]=2 32 B10R0.3 CCCC(=O)OCCC(C)C TN6702 [0,2,0,0,0,0|1,0,0]=3 33 B10R0.91 CCCCCC(=O)CCCC T29451 [0,2,0,0,0,0|1,0,0]=3 34 B10R0.35 CCOC(=O)[C@@H](N)[C@@H](C)CC T31710 [0,2,0,0,0,0|0,0,0]=2 35 B10R0.116 CCCCP(O)(=O)CCCN T14938 [0,2,0,0,0,0|2,0,0]=4 36 B8R1.1 CCC1CCC(=O)O1 T8098 [1,0,0,1,0,0|1,0,0]=3 37 B8R1.1 COC1CCC(=O)N1 TN4855 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.1 OC[C@H]1CCC(=O)C1 TN2951 [1,0,0,1,0,0|1,0,0]=3 39 B8R1.4 CC1CC=CC(=O)O1 TN3177 [1,0,0,1,0,0|0,0,2]=4 40 B8R1.4 CC1CCN=C(N)C1 T21700 [1,0,0,1,0,0|2,0,0]=4 41 B10R1.149 CCC(C)N1CCCC1=O T3114 [0,1,0,1,0,0|2,0,0]=4 42 B10R2.71 O=C1CC2CCC(C1)N2 T1702 [0,0,0,2,0,0|2,0,0]=4