0 B8R0.7 C(CCC(=O)O)CCN S1671 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.7 C(CCC(=O)O)CCN S1671 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.7 C(CCC(=O)O)CCN S1671 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.7 C(COCCN)C(=O)O S1872 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.4 CC=CC=CC(=O)O S4983 [1,0,0,0,0,0|0,0,2]=3 5 B9R0.2 CC(=O)NCCCCCN S6187 [0,1,0,0,0,0|2,0,1]=4 6 B9R0.2 CCCCCC=CC(=O)O S6162 [0,1,0,0,0,0|0,0,0]=1 7 B9R0.2 CCCCCCCC(=O)O S6296 [0,1,0,0,0,0|0,0,2]=3 8 B9R0.47 C(CCN)CC(C(=O)O)N S3953 [0,1,0,0,0,0|1,0,2]=4 9 B9R0.47 C(CCN)CC(C(=O)O)N S5630 [0,1,0,0,0,0|1,0,2]=4 10 B9R0.47 CCCCCC(C)C(=O)O S6099 [0,1,0,0,0,0|0,0,2]=3 11 B9R1.6 C1CCC(CC1)C(=O)O S6279 [0,0,0,1,0,0|0,0,2]=3 12 B9R1.6 C1CCNC(C1)C(=O)O S6302 [0,0,0,1,0,0|1,0,1]=3 13 B9R1.6 C1CCNC(C1)C(=O)O S6322 [0,0,0,1,0,0|1,0,1]=3 14 B9R1.6 C1CNCCC1C(=O)O S5612 [0,0,0,1,0,0|1,0,2]=4 15 B6R0.6 CCCC=CC=O S6303 [2,0,0,0,0,0|0,0,0]=2 16 B6R0.4 C(CC(=O)O)CN S4700 [2,0,0,0,0,0|1,0,0]=3 17 B6R0.4 C(CC(=O)O)CN S4700 [2,0,0,0,0,0|1,0,0]=3 18 B6R0.4 C=CCCC(=O)O S6268 [2,0,0,0,0,0|0,0,2]=4 19 B6R0.4 CSCCC(=O)O S6341 [2,0,0,0,0,0|1,0,0]=3 20 B8R0.8 C(CC(C(=O)O)N)CN S4653 [1,1,0,0,0,0|1,0,1]=4 21 B8R0.8 C(CC(C(=O)O)N)CN S4653 [1,1,0,0,0,0|1,0,1]=4 22 B8R0.8 CCCCC(C)C(=O)O S6079 [1,1,0,0,0,0|0,0,1]=3 23 B8R0.8 CSCCC(C(=O)O)N S5633 [1,1,0,0,0,0|1,0,1]=4 24 B8R0.8 CSCCC(C(=O)O)N S9344 [1,1,0,0,0,0|1,0,1]=4 25 B8R0.8 C[Se]CCC(C(=O)O)N S3973 [1,1,0,0,0,0|1,0,1]=4 26 B10R0.4 C(CCCC(=O)O)CCCN S6082 [0,2,0,0,0,0|0,0,2]=4 27 B10R0.4 C(COCCOCC(=O)O)O S1728 [0,2,0,0,0,0|1,0,1]=4 28 B10R0.4 CCCCCCCCC(=O)O S4949 [0,2,0,0,0,0|0,0,2]=4 29 B10R0.75 CCCCCCC(C(=O)O)O S5436 [0,2,0,0,0,0|0,0,2]=4 30 B10R0.78 CCCCC(C)CCC(=O)O S6029 [0,2,0,0,0,0|0,0,2]=4 31 B8R1.1 CCC1CCC(=O)O1 S6265 [1,0,0,1,0,0|0,0,1]=3 32 B8R1.7 C1CC(NC1)C(=O)O S5629 [1,0,0,1,0,0|1,0,1]=4 33 B8R1.7 C1CC(NC1)C(=O)O S6016 [1,0,0,1,0,0|1,0,1]=4 34 B10R1.13 C1CC(CCC1C(=O)O)O S6069 [0,1,0,1,0,0|0,0,2]=4 35 B10R1.18 C1CCC(CC1)CC(=O)O S6022 [0,1,0,1,0,0|0,0,2]=4 36 B10R1.2 CCC1=C(C(=O)C=CO1)O S6335 [0,1,0,1,0,0|1,0,1]=4 37 B10R1.15 COC(=O)C1CCCCC1 S6299 [0,1,0,1,0,0|0,0,2]=4