0 B8R0.28 C(CNC(=O)N)C(=O)O S6143 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.28 C(CNC(=O)N)C(=O)O S6143 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.28 CC(C)CCCC(C)N S6477 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.4 CCCCCC(C)N S4520 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.4 CCCCCC(C)N S4520 [1,0,0,0,0,0|2,0,1]=4 5 B9R0.1 COC(=O)CCCC(=O)O S6072 [0,1,0,0,0,0|1,0,1]=3 6 B9R0.7 C(CC(=O)N)C(C(=O)O)N S1749 [0,1,0,0,0,0|2,0,1]=4 7 B9R0.7 C(CC(=O)N)C(C(=O)O)N S1893 [0,1,0,0,0,0|2,0,1]=4 8 B9R0.7 C(CC(=O)N)C(C(=O)O)N S1893 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.7 C(CC(=O)N)C(C(=O)O)N S3963 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.7 C(CC(=O)O)C(C(=O)O)N S6266 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.7 C(CC(=O)O)C(C(=O)[O-])N S4721 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.7 C(CC(=O)O)C(C(=O)[O-])N S4721 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.7 CC(=O)OCC(C(=O)O)N S6144 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.7 CC(=O)OCC(C(=O)O)N S6144 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.7 CC(C(=O)NCC(=O)O)S S2062 [0,1,0,0,0,0|2,0,1]=4 16 B9R0.7 CC(C(=O)NCC(=O)O)S S2062 [0,1,0,0,0,0|2,0,1]=4 17 B9R0.7 CC(CCC(=O)O)C(=O)O S6110 [0,1,0,0,0,0|2,0,1]=4 18 B9R0.7 C[S+](C)CCC(C(=O)O)N S4811 [0,1,0,0,0,0|1,0,0]=2 19 B9R0.56 CC(=O)OCC[N+](C)(C)C S1805 [0,1,0,0,0,0|3,0,0]=4 20 B9R0.56 CC(=O)OCC[N+](C)(C)C S1805 [0,1,0,0,0,0|3,0,0]=4 21 B9R0.56 CC(=O)OCC[N+](C)(C)C S4718 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.56 CC(=O)OCC[N+](C)(C)C S4718 [0,1,0,0,0,0|3,0,0]=4 23 B9R0.56 C[N+](C)(C)CCOC(N)=O S4359 [0,1,0,0,0,0|3,0,0]=4 24 B9R0.56 C[N+](C)(C)CCOC(N)=O S4359 [0,1,0,0,0,0|3,0,0]=4 25 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] S4130 [0,1,0,0,0,0|2,0,1]=4 26 B9R1.35 C1C(CNC1C(=O)O)O S5820 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.35 C1CC(=O)NC1C(=O)O S5823 [0,0,0,1,0,0|2,0,1]=4 28 B7R0.6 C(CC(=O)O)C(=O)O S3791 [0,0,0,0,1,0|2,0,1]=4 29 B7R0.6 C(C[N+](=O)[O-])C(=O)O S3652 [0,0,0,0,1,0|3,0,0]=4 30 B7R0.6 CC(=O)CCC(=O)O S6207 [0,0,0,0,1,0|1,0,1]=3 31 B7R0.6 CC(C)CCC(=O)O S6278 [0,0,0,0,1,0|0,0,0]=1 32 B9R0.55 C(CC(=O)O)CN=C(N)N S6137 [0,0,0,0,0,1|2,0,1]=4 33 B6R0.4 C(CC(=O)O)CN S4700 [2,0,0,0,0,0|1,0,0]=3 34 B6R0.4 C(CC(=O)O)CN S4700 [2,0,0,0,0,0|1,0,0]=3 35 B6R0.4 C=CCCC(=O)O S6268 [2,0,0,0,0,0|0,0,2]=4 36 B6R0.4 CSCCC(=O)O S6341 [2,0,0,0,0,0|1,0,0]=3 37 B6R0.6 CCCC=CC=O S6303 [2,0,0,0,0,0|0,0,2]=4 38 B8R0.7 C(CCC(=O)O)CCN S1671 [1,1,0,0,0,0|0,0,0]=2 39 B8R0.7 C(CCC(=O)O)CCN S1671 [1,1,0,0,0,0|0,0,0]=2 40 B8R0.7 C(CCC(=O)O)CCN S1671 [1,1,0,0,0,0|0,0,0]=2 41 B8R0.7 C(COCCN)C(=O)O S1872 [1,1,0,0,0,0|1,0,0]=3 42 B8R0.8 C(CC(C(=O)O)N)CN S4653 [1,1,0,0,0,0|1,0,0]=3 43 B8R0.8 C(CC(C(=O)O)N)CN S4653 [1,1,0,0,0,0|1,0,0]=3 44 B8R0.8 CCCCC(C)C(=O)O S6079 [1,1,0,0,0,0|0,0,0]=2 45 B8R0.8 CSCCC(C(=O)O)N S5633 [1,1,0,0,0,0|1,0,0]=3 46 B8R0.8 CSCCC(C(=O)O)N S9344 [1,1,0,0,0,0|1,0,0]=3 47 B8R0.8 C[Se]CCC(C(=O)O)N S3973 [1,1,0,0,0,0|1,0,0]=3 48 B8R0.9 C(CC(=O)O)C(=O)CN S2553 [1,1,0,0,0,0|1,0,1]=4 49 B8R0.9 C(CC(=O)O)C(=O)CN S2553 [1,1,0,0,0,0|1,0,1]=4 50 B8R0.9 C(CC(=O)O)C(=O)CN S2553 [1,1,0,0,0,0|1,0,1]=4 51 B8R0.9 C(CC(=O)O)C(=O)CN S2553 [1,1,0,0,0,0|1,0,1]=4 52 B8R0.23 CC(C)C(CC(=O)O)N S6142 [0,1,0,0,1,0|0,0,0]=2 53 B8R0.23 CC(C)CC(C(=O)O)N S3753 [0,1,0,0,1,0|0,0,0]=2 54 B8R0.23 CC(C)CC(C(=O)O)O S6046 [0,1,0,0,1,0|0,0,0]=2 55 B10R0.96 CC(C)CC(=O)NCC(=O)O S6181 [0,1,0,0,0,1|0,0,1]=3 56 B10R0.96 CC(C)CC(=O)NCC(=O)O S6181 [0,1,0,0,0,1|0,0,1]=3 57 B10R0.96 CN(C)NC(=O)CCC(=O)O S4800 [0,1,0,0,0,1|1,0,1]=4 58 B10R0.31 C[N+](C)(C)CC(CC(=O)O)O S2293 [0,2,0,0,0,0|1,0,0]=3 59 B10R0.31 C[N+](C)(C)CC(CC(=O)O)O S2293 [0,2,0,0,0,0|1,0,0]=3 60 B10R0.31 C[N+](C)(C)CC(CC(=O)O)O S5874 [0,2,0,0,0,0|1,0,0]=3 61 B10R0.31 C[N+](C)(C)CC(CC(=O)[O-])O S2388 [0,2,0,0,0,0|1,0,1]=4 62 B10R0.31 C[N+](C)(C)CC(CC(=O)[O-])O S2388 [0,2,0,0,0,0|1,0,1]=4 63 B8R1.1 CCC1CCC(=O)O1 S6265 [1,0,0,1,0,0|0,0,0]=2 64 B8R1.7 C1C(NCS1)C(=O)O S4993 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.7 C1CC(NC1)C(=O)O S5629 [1,0,0,1,0,0|1,0,0]=3 66 B8R1.7 C1CC(NC1)C(=O)O S6016 [1,0,0,1,0,0|1,0,0]=3 67 B10R1.113 CC1=NCCC(N1)C(=O)O S5591 [0,0,0,1,0,1|1,0,1]=4 68 B10R1.128 C[N+]1(CCCC1C(=O)O)C S3760 [0,0,0,1,0,1|1,0,0]=3 69 B10R1.128 C[N+]1(CCCC1C(=O)O)C S3760 [0,0,0,1,0,1|1,0,0]=3 70 B10R1.128 C[N+]1(CCCC1C(=O)[O-])C S3771 [0,0,0,1,0,1|1,0,1]=4 71 B10R1.128 C[N+]1(CCCC1C(=O)[O-])C S3771 [0,0,0,1,0,1|1,0,1]=4 72 B10R1.13 C1CC(CCC1C(=O)O)O S6069 [0,1,0,1,0,0|1,0,0]=3 73 B6R0.2 CC(=CC(=O)O)C S6247 [0,0,0,0,2,0|0,0,2]=4 74 B6R0.2 CC(C)CC(=O)N S4116 [0,0,0,0,2,0|1,0,0]=3 75 B6R0.2 CC(C)CC(=O)O S6287 [0,0,0,0,2,0|0,0,0]=2 76 B6R0.2 CC(CC(=O)O)O S1031 [0,0,0,0,2,0|1,0,0]=3 77 B6R0.2 CN(C)CC(=O)O S6056 [0,0,0,0,2,0|1,0,0]=3