0 B7R0.6 CC(=O)CCN(C)C 4090669 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.6 CC(=O)CCN(C)C 5108147 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.6 CC(C)NCC(=O)O 4028411 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 CC(C)OCC(=O)O 4020858 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 CC(C)SCC(=O)O 4028613 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.4 CNCCC(=O)O 4036102 [1,0,0,0,0,0|2,0,0]=3 6 B6R0.4 CNCCC(N)=O 4029061 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.4 COCCC(C)=O 4022132 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.4 NC(=O)CCCCl 4028442 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.9 CC(=O)NC\C(N)=N\O 4045646 [0,1,0,0,0,0|3,0,0]=4 10 B8R0.9 CCC(=O)NCC(=O)O 4027002 [0,1,0,0,0,0|2,0,0]=3 11 B8R0.9 CCN(C)CCC(=O)O 4027808 [0,1,0,0,0,0|3,0,0]=4 12 B8R0.9 CCN(C)CCC(=O)O 4089689 [0,1,0,0,0,0|3,0,0]=4 13 B8R0.9 CCS(=O)CCC(=O)O 4027513 [0,1,0,0,0,0|2,0,0]=3 14 B8R0.23 CC(CC(=O)O)N(C)C 4027634 [0,1,0,0,0,0|3,0,0]=4 15 B8R0.23 CC(CN(C)C)C(=O)O 4028170 [0,1,0,0,0,0|3,0,0]=4 16 B8R0.23 CN(CC(=O)O)C(N)=O 4029414 [0,1,0,0,0,0|2,0,0]=3 17 B8R0.29 CC(C)(C)CCC(=O)O 4027662 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.29 CC(C)(N)CCC(=O)O 4020441 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.29 CS(=O)(=O)CCC(=O)O 4043244 [0,1,0,0,0,0|1,0,1]=3 20 B8R0.29 CS(=O)(=O)NCC(=O)O 4027462 [0,1,0,0,0,0|2,0,1]=4 21 B8R1.3 CC1=NNC(=O)CC1 3003063 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.3 O=C1CCC(O)CC1 4029093 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 4079353 [0,0,0,1,0,0|1,0,1]=3 24 B8R1.23 O=C1CC(C(=O)O)C1 4036673 [0,0,0,1,0,0|1,0,0]=2 25 B8R1.51 O=C1CCS(=O)(=O)C1 4021927 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.77 CC1(C)CC1C(=O)O 4031328 [0,0,0,1,0,0|2,0,1]=4 27 B6R0.2 NC(=O)CC(=O)O 4027194 [0,0,0,0,1,0|1,0,0]=2 28 B8R0.28 NC(=O)CCCC(=O)O 4027348 [0,0,0,0,0,1|1,0,0]=2 29 B8R0.28 NC(=O)COCC(=O)O 4026979 [0,0,0,0,0,1|1,0,0]=2 30 B8R0.28 NC(=O)CSCC(=O)O 4029864 [0,0,0,0,0,1|1,0,0]=2 31 B5R0.1 C#CCC(=O)O 4035749 [2,0,0,0,0,0|0,0,2]=4 32 B5R0.1 NC(=O)CCO 4070037 [2,0,0,0,0,0|1,0,0]=3 33 B5R0.1 NCCC(N)=O 4034723 [2,0,0,0,0,0|2,0,0]=4 34 B7R0.2 CNC(C)CC(=O)O 4035495 [1,1,0,0,0,0|2,0,0]=4 35 B7R0.4 C=CCSCC(=O)O 4026839 [1,1,0,0,0,0|1,0,0]=3 36 B7R0.4 CC(=O)NCCCO 4032317 [1,1,0,0,0,0|1,0,1]=4 37 B7R0.4 CCCOCC(=O)O 4020861 [1,1,0,0,0,0|1,0,1]=4 38 B7R0.4 CCCSCC(=O)O 4028731 [1,1,0,0,0,0|1,0,1]=4 39 B7R0.4 CCSCCC(=O)O 4028457 [1,1,0,0,0,0|1,0,1]=4 40 B7R0.5 CNCC(C)C(=O)O 4043069 [1,1,0,0,0,0|2,0,0]=4 41 B9R0.53 CC(=O)NC(C)CC(=O)O 4027009 [0,1,0,0,0,1|1,0,0]=3 42 B9R0.56 CS(=O)(=O)NCCC(=O)O 4032649 [0,1,0,0,0,1|1,0,1]=4 43 B9R0.42 CCC(=O)NC(C)C(=O)O 4026814 [0,2,0,0,0,0|2,0,0]=4 44 B9R0.11 CC(=O)NC(C)(C)C(=O)O 4043820 [0,2,0,0,0,0|2,0,0]=4 45 B9R1.35 O=C1CC(C(=O)O)CN1 4002892 [0,0,0,1,0,1|1,0,0]=3 46 B9R1.35 O=C1NCC(C(=O)O)N1 4029000 [0,0,0,1,0,1|1,0,0]=3 47 B9R1.35 O=C1N[C@H](C(=O)O)CO1 4045606 [0,0,0,1,0,1|1,0,0]=3