0 B8R0.7 C(CCC(=O)O)CCN S1671 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.7 C(CCC(=O)O)CCN S1671 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.7 C(CCC(=O)O)CCN S1671 [0,0,0,0,0,0|2,0,0]=2 3 B8R0.7 C(CCN=C(N)N)CN S4962 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.7 C(COCCN)C(=O)O S1872 [0,0,0,0,0,0|3,0,0]=3 5 B7R0.1 COCCOCCN S0639 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.4 CCCCCC(C)N S4520 [1,0,0,0,0,0|1,0,1]=3 7 B7R0.4 CCCCCC(C)N S4520 [1,0,0,0,0,0|1,0,1]=3 8 B9R0.1 COC(=O)CCCC(=O)O S6072 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.2 CC(=O)NCCCCCN S6187 [0,1,0,0,0,0|1,0,0]=2 10 B9R0.2 CCCCCC=CC(=O)O S6162 [0,1,0,0,0,0|1,0,1]=3 11 B9R0.2 CCCCCCCC(=O)O S6296 [0,1,0,0,0,0|1,0,0]=2 12 B9R0.2 CS(=O)CCCCN=C=S S5771 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.47 C(CCN)CC(C(=O)O)N S3953 [0,1,0,0,0,0|2,0,0]=3 14 B9R0.47 C(CCN)CC(C(=O)O)N S5630 [0,1,0,0,0,0|2,0,0]=3 15 B9R0.47 CCCCCC(C)C(=O)O S6099 [0,1,0,0,0,0|1,0,0]=2 16 B9R1.6 C1CCC(CC1)C(=O)O S6279 [0,0,0,1,0,0|1,0,0]=2 17 B9R1.6 C1CCNC(C1)C(=O)O S6302 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.6 C1CCNC(C1)C(=O)O S6322 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.6 C1CNCCC1C(=O)O S5612 [0,0,0,1,0,0|2,0,0]=3 20 B6R0.6 C(CCN)CCN S6357 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.6 CCCC=CC=O S6303 [2,0,0,0,0,0|0,0,2]=4 22 B6R0.4 C(CC(=O)O)CN S4700 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.4 C(CC(=O)O)CN S4700 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.4 CSCCC(=O)O S6341 [2,0,0,0,0,0|2,0,0]=4 25 B8R0.5 CCOC(=O)CC(=O)C S6024 [1,1,0,0,0,0|1,0,1]=4 26 B8R0.8 C(CC(C(=O)O)N)CN S4653 [1,1,0,0,0,0|2,0,0]=4 27 B8R0.8 C(CC(C(=O)O)N)CN S4653 [1,1,0,0,0,0|2,0,0]=4 28 B8R0.8 CCCCC(C)C(=O)O S6079 [1,1,0,0,0,0|1,0,0]=3 29 B8R0.8 CSCCC(C(=O)O)N S5633 [1,1,0,0,0,0|2,0,0]=4 30 B8R0.8 CSCCC(C(=O)O)N S9344 [1,1,0,0,0,0|2,0,0]=4 31 B8R0.8 C[Se]CCC(C(=O)O)N S3973 [1,1,0,0,0,0|2,0,0]=4 32 B8R0.28 CC(C)CCCC(C)N S6477 [1,1,0,0,0,0|1,0,1]=4 33 B10R0.3 CC(CCC=C(C)C)CCO S5584 [0,2,0,0,0,0|1,0,1]=4 34 B10R0.4 C(CCCC(=O)O)CCCN S6082 [0,2,0,0,0,0|1,0,0]=3 35 B10R0.4 C(COCCOCC(=O)O)O S1728 [0,2,0,0,0,0|2,0,0]=4 36 B10R0.4 CCCCCCCCC(=O)O S4949 [0,2,0,0,0,0|1,0,0]=3 37 B10R0.75 C(CO)CSCC(C(=O)O)N S2129 [0,2,0,0,0,0|2,0,0]=4 38 B10R0.75 CCCCCCC(C(=O)O)O S5436 [0,2,0,0,0,0|1,0,0]=3 39 B10R0.78 CCCCC(C)CCC(=O)O S6029 [0,2,0,0,0,0|1,0,0]=3 40 B8R1.1 CCC1CCC(=O)O1 S6265 [1,0,0,1,0,0|1,0,0]=3 41 B8R1.4 CC1CCCC(N1)C S4992 [1,0,0,1,0,0|1,0,1]=4 42 B8R1.7 C1CC(NC1)C(=O)O S5629 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.7 C1CC(NC1)C(=O)O S6016 [1,0,0,1,0,0|2,0,0]=4 44 B10R1.13 C1CC(CCC1C(=O)O)O S6069 [0,1,0,1,0,0|1,0,0]=3 45 B10R1.18 C1CCC(CC1)CC(=O)O S6022 [0,1,0,1,0,0|1,0,0]=3 46 B10R1.15 COC(=O)C1CCCCC1 S6299 [0,1,0,1,0,0|0,0,0]=2 47 B10R1.128 C[N+]1(CCCC1C(=O)O)C S3760 [0,1,0,1,0,0|2,0,0]=4 48 B10R1.128 C[N+]1(CCCC1C(=O)O)C S3760 [0,1,0,1,0,0|2,0,0]=4 49 B10R1.128 C[N+]1(CCCC1C(=O)[O-])C S3771 [0,1,0,1,0,0|2,0,0]=4 50 B10R1.128 C[N+]1(CCCC1C(=O)[O-])C S3771 [0,1,0,1,0,0|2,0,0]=4