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373 SMILES Strings for Neuraminidase A

Compound NameSMILES String
BDBM4701 OC(=O)c1ccc(NC(=O)c2ccccc2)cc1
BDBM4703 NS(=O)(=O)c1ccc(cc1)C(O)=O
BDBM4704 OC(=O)c1cccc(NC#N)c1
BDBM4705 [#7]\[#6](-[#7])=[#7]/c1cccc(c1)-[#6](-[#8])=O
BDBM4706 CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
BDBM4707 [#6]-[#6](=O)-[#7]-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM4708 CC(=O)Nc1ccc(cc1CN=O)C(O)=O
BDBM4709 CC(=O)Nc1ccc(cc1CC[N+]([O-])=O)C(O)=O
BDBM4710 [#6]S(=O)(=O)[#7]-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM4711 CS(=O)(=O)Nc1ccc(cc1CN=O)C(O)=O
BDBM4712 [#6]-[#6](-[#6])-[#6](=O)-[#7]-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM4713 [#6]-[#7]-[#6](=O)-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM4714 [#7]\[#6](-[#7])=[#7]/c1cc(ccc1S([#7])(=O)=O)-[#6](-[#8])=O
BDBM4715 [#6]S(=O)[#6]-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM4716 [#6]S(=O)(=O)[#6]-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM4717 NC(N)=Nc1cc(N)cc(c1)C(O)=O |w:3.3|
BDBM4718 [#7]\[#6](-[#7])=[#7]/c1cc(-[#7]-[#6](-[#7])=[#7])cc(c1)-[#6](-[#8])=O
BDBM4719 [#7]\[#6](-[#7])=[#7]/c1cc(-[#6]-[#7]=O)cc(c1)-[#6](-[#8])=O
BDBM4722 [#6]-[#6](=O)-[#7]-c1c(cc(cc1-[#6](-[#8])-[#6](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](/[#7])-[#7]
BDBM4723 [#6]-[#6](=O)-[#7]-c1c(cc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)\[#7]=[#6](/[#7])-[#7]
BDBM4724 [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-c1c(cc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O)\[#7]=[#6](/[#7])-[#7]
BDBM4729 [#6]S(=O)(=O)[#7]-c1c(-[#6]-[#7]=O)cc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM4727 [#6]-[#6](=O)-[#7]-c1c(-[#6]-[#6]-[#8])cc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM4728 [#6]S(=O)(=O)[#7]-c1c(-[#6]-[#8])cc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM4730 CS(=O)(=O)Nc1ccc(nc1)C(O)=O
BDBM4731 CC(=O)Nc1ccc(nc1)C(O)=O
BDBM4732 CC(=S)Nc1ccc(nc1)C(O)=O
BDBM4733 CC(=O)Nc1ccc(nc1N)C(O)=O
BDBM4734 CC(=O)Nc1ccc(nc1N=C(N)N)C(O)=O |w:10.10|
BDBM4735 CC(=O)Nc1cnc(cc1N)C(O)=O
BDBM4736 CS(=O)(=O)Nc1c(N)cc(nc1N)C(O)=O
BDBM4737 [#6]-[#6](=O)-[#7]-c1c(-[#7])cc(nc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM4738 [#6]-[#6]-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:12.19,5.5|
BDBM4739 [#6]-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:13.20,6.6|
BDBM4740 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]=[#6] |r,w:7.14,4.3|
BDBM4741 [#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:14.21,7.7|
BDBM4742 [#6]-[#6]-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:14.21,7.7|
BDBM4743 [#6]-[#6]-[#6](-[#6]-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:15.22,8.8|
BDBM4744 [#6]-[#6]-[#6]-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:15.22,8.8|
BDBM4745 [#6]-[#6](-[#6])-[#6]-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.23,9.9|
BDBM4746 [#6]-[#6]-[#6]-[#6]-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.23,9.9|
BDBM4747 [#6]-[#6]-[#6]-[#6]-[#6](-[#6]-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:17.24,10.10|
BDBM4748 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-c1ccccc1 |r,w:7.14,4.3|
BDBM4749 [#6]-[#6](-[#6]-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:20.28,13.14|
BDBM4750 [#6]-[#8]-[#6]-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:15.22,8.8|
BDBM4751 [#6]-[#6]-[#6](-[#6]-[#8]-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.23,9.9|
BDBM4752 [#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:14.21,7.7|
BDBM4753 [#6]-[#6](-[#6])-[#7](-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:14.21,7.7|
BDBM4754 [#6]-[#7](-[#6]-[#6]=[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:14.21,7.7|
BDBM4755 [#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:15.22,8.8|
BDBM4756 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:17.24,10.10|
BDBM4757 [#6]-[#7](-[#6]-[#6]-c1ccccc1)-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:19.27,12.13|
BDBM4758 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:14.21,7.7|
BDBM4759 [#6]-[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:15.22,8.8|
BDBM4760 [#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.23,9.9|
BDBM4761 [#6]-[#6]-[#7](-[#6]-c1ccccc1)-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:19.27,12.13|
BDBM4762 [#6]-[#6]-[#7](-[#6]-[#6]-[#8])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:15.22,8.8|
BDBM4763 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-1-[#6]-[#6]-1)-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:17.25,10.11|
BDBM4764 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6])-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.23,9.9|
BDBM4765 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-1 |r,w:7.14,4.3|
BDBM4766 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1 |r,w:7.14,4.3|
BDBM4767 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |r,w:7.14,4.3|
BDBM4768 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-1 |r,w:7.14,4.3|
BDBM4769 [#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.24,9.10|
BDBM4770 [#6]-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:17.25,10.11|
BDBM4771 [#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:18.26,11.12|
BDBM4772 [#6]-[#6]-1-[#6]-[#6]-[#6]-[#7](-[#6]-1)-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.24,9.10|
BDBM4773 [#6]-[#6]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:16.24,9.10|
BDBM4774 [#6]-[#6]-1-[#6]-[#6](-[#6])-[#6]-[#7](-[#6]-1)-[#6](=O)-[#6](-[#7]-[#6](-[#6])=O)-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r,w:17.25,10.11|
BDBM4775 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1 |r,w:7.14,4.3|
BDBM4776 [#6]-[#6](=O)-[#7]-[#6](-[#6@H]-1-[#6]-[#6](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#16]-[#6]-[#6]-1 |r,w:7.14,4.3|
BDBM4923 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)NCCN |r,c:3|
BDBM4924 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)NCCO |r,c:3|
BDBM4925 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)NCC(O)=O |r,c:3|
BDBM4926 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)NCCC |r,c:3|
BDBM4928 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)CCC |r,c:3|
BDBM4929 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCC |r,c:3|
BDBM4930 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7]-[#6]-[#6]-[#7] |r,c:3|
BDBM4931 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7]-[#6]-[#6]-[#6] |r,c:3|
BDBM4932 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6])-[#6] |r,c:3|
BDBM4933 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6])-[#6]-[#6]-[#6] |r,c:3|
BDBM4934 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8] |r,c:3|
BDBM4935 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N1C(C)CCC1C |r,c:3|
BDBM4936 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCCC)CCCC |r,c:3|
BDBM4937 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC)CC |r,c:3|
BDBM4938 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC=C)CC=C |r,c:3|
BDBM4939 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)NC1CCCCC1 |r,c:3|
BDBM4940 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6]-[#6]-[#6])-[#6]-[#6]-[#6] |r,c:3|
BDBM4941 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC)CCC |r,c:3|
BDBM4942 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6]-[#6])-[#6]-[#6] |r,c:3|
BDBM4943 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCCC |r,c:3|
BDBM4944 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)Cc1ccccc1 |r,c:3|
BDBM4945 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccccc1 |r,c:3|
BDBM4946 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6]-[#6]-[#6])-[#6]-[#6]-c1ccccc1 |r,c:3|
BDBM4947 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCCc1ccccc1 |r,c:3|
BDBM4948 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCCCCCCCC |r,c:3|
BDBM4949 [H][C@]1([#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)[#6](=O)-[#7](-[#6]-[#6]-[#6])-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6] |r,c:3|
BDBM4950 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)NCCc1ccccc1 |r,c:3|
BDBM4951 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)CCc1ccccc1 |r,c:3|
BDBM4952 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CC)CCc1ccccc1 |r,c:3|
BDBM4953 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCc1ccccc1)CC(O)=O |r,c:3|
BDBM4954 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCc1ccccc1)CC(N)=O |r,c:3|
BDBM4955 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCN(C)C)CCc1ccccc1 |r,c:3|
BDBM4956 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCN=[N+]=[N-])CCc1ccccc1 |r,c:3|
BDBM4957 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCO)CCc1ccccc1 |r,c:3|
BDBM4958 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCc1ccccc1)CC(C)C |r,c:3|
BDBM4959 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCc1ccccc1)C(C)C |r,c:3|
BDBM4960 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCN)CCc1ccccc1 |r,c:3|
BDBM4961 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCc1ccccc1)C1CC1 |r,c:3|
BDBM4962 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCCO)CCc1ccccc1 |r,c:3|
BDBM4963 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(OC)cc1 |r,c:3|
BDBM4964 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(O)cc1 |r,c:3|
BDBM4965 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1cccc(OC)c1 |r,c:3|
BDBM4966 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1cccc(O)c1 |r,c:3|
BDBM4967 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(cc1)-c1ccccc1 |r,c:3|
BDBM4968 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(Cl)cc1Cl |r,c:3|
BDBM4969 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(cc1)C(C)C |r,c:3|
BDBM4970 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccc(Cc2ccccc2)cc1 |r,c:3|
BDBM4971 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1ccccc1OC |r,c:3|
BDBM4972 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(CCC)CCc1cccc(c1)-c1ccccc1 |r,c:3|
BDBM4973 CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1C(=O)N1CCCC1)C(O)=O |r,c:7|
BDBM4974 CC1CCCN1C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:11|
BDBM4976 C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:12|
BDBM4977 C[C@H]1CC[C@H](C)N1C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:12|
BDBM4978 CC[C@H]1CC[C@@H](CC)N1C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:14|
BDBM4927 [H][C@]1(OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O)C(=O)N(C)C |r,c:3|
BDBM5009 CCCO[C@@H]1C=C(C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O |r,c:5|
BDBM5010 CCCCO[C@@H]1C=C(C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
BDBM5011 CC[C@@H](C)O[C@@H]1C=C(C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
BDBM5012 CC[C@H](C)O[C@@H]1C=C(C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
BDBM5013 CCC(CC)O[C@@H]1C=C(C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM5014 CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1C |r,c:18|
BDBM5015 CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1F |r,c:18|
BDBM5008 CC(=O)N[C@H]1[C@H](O)C=C(C[C@@H]1N=C(N)N)C(O)=O |r,c:7|
BDBM4980 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1O)C(O)=O |r,c:8|
BDBM4981 CO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:3|
BDBM4982 CCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:4|
BDBM4983 CCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:5|
BDBM4984 CCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
BDBM4985 CCCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM4986 CCCCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
BDBM4987 CCCCCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
BDBM4988 CCCCCCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10|
BDBM4989 CCCCCCCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:11|
BDBM4990 CCCCCCCCCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:12|
BDBM5016 CCC(CC)O[C@@H]1C=C([C@@H](C)[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM5017 [#6]-[#6](=O)-[#7]-[#6]-[#6@H]-1-[#6]-[#6@H](-[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O |r|
BDBM5018 CCCCC(NC(C)=O)[C@@H]1CC(C[C@H]1N=C(N)N)C(O)=O |r|
BDBM5019 [H][C@@](CCCC)(NC(C)=O)[C@@H]1CC(C[C@H]1N=C(N)N)C(O)=O |r,w:12.19|
BDBM5020 [H][C@@](CCCC)(NC(C)=O)[C@@H]1C[C@@H](C[C@H]1N=C(N)N)C(O)=O |r|
BDBM5021 [H][C@@](CCCC)(NC(C)=O)[C@@H]1C[C@H](C[C@H]1N=C(N)N)C(O)=O |r|
BDBM5022 [H][C@](CCCC)(NC(C)=O)[C@@H]1C[C@H](C[C@H]1N=C(N)N)C(O)=O |r|
BDBM5023 [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1C[C@H](C[C@H]1N=C(N)N)C(O)=O |r|
BDBM5024 [H][C@](NC(C)=O)(C(CC)CC)[C@@H]1[C@H](O)[C@H](C[C@H]1N=C(N)N)C(O)=O |r|
BDBM5025 [H][C@@]1(OC(CC)CC)C=C(C[C@H](N)[C@H]1NC(C)=O)C(=O)OCC |r,c:8|
BDBM4991 CC(C)CO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
BDBM4992 CC[C@@H](C)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
BDBM4993 CC[C@H](C)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
BDBM4994 CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM4995 CC[C@@H](CC=C)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
BDBM4996 CC[C@H](CC=C)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
BDBM4997 CCCCCCC[C@H](CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:12|
BDBM4998 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OC1CCCCC1)C(O)=O |r,c:8|
BDBM4999 CC[C@@H](CC1CCCCC1)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:13|
BDBM5000 CC[C@@H](CCC1CCCCC1)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:14|
BDBM5001 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1Oc1ccccc1)C(O)=O |r,c:8|
BDBM5002 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OCc1ccccc1)C(O)=O |r,c:8|
BDBM5003 CC[C@@H](CCc1ccccc1)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:14|
BDBM5004 CC[C@H](CCc1ccccc1)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:14|
BDBM5005 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OC(Cc1ccccc1)Cc1ccccc1)C(O)=O |r,c:8|
BDBM5006 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OC(CCCc1ccccc1)CCCc1ccccc1)C(O)=O |r,c:8|
BDBM5007 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OCCCc1ccc(cc1)-c1ccccc1)C(O)=O |r,c:8|
BDBM5195 [H][C@]1(N[C@H](C[C@H]1C(=O)OC)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5196 [H][C@]1(N[C@H](C[C@H]1c1cnc[nH]1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5197 [H][C@]1(N[C@H](C[C@H]1c1cscn1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5198 [H][C@]1(N[C@H](C[C@H]1c1nccs1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5199 [H][C@]1(N[C@H](C[C@H]1c1ncc[nH]1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5200 [H][C@]1(N[C@H](C[C@H]1c1ccn[nH]1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5201 [H][C@]1(N[C@H](C[C@H]1c1ccon1)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5202 [H][C@]1(N[C@H](C[C@H]1\C=C/C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5205 [H][C@]1([#7]-[#6@H](-[#6]-[#6@H]1\[#6]=[#6](/[#6])-[#6])-[#6](-[#8])=O)[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])=O |r|
BDBM5206 [H][C@]1([#7]-[#6@H](-[#6]-[#6@H]1\[#6]=[#6](\F)F)-[#6](-[#8])=O)[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](-[#6])=O |r|
BDBM5207 [H][C@]1(N[C@H](C[C@H]1\C=C/Cl)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5210 CC(=O)Nc1c(cc(cc1[C@H](O)[C@H](O)CO)C(O)=O)N=C(N)N |r|
BDBM5214 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OCCC(F)(F)F)C(O)=O |r,c:8|
BDBM5219 CCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(=O)C(F)(F)F)C(O)=O |r,c:5|
BDBM5227 CCC(CC)N(C)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
BDBM5228 CN(CCc1ccccc1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:12|
BDBM5229 CN(C1CCCCC1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10|
BDBM5239 CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1Cl |r,c:18|
BDBM5240 CCC(CC)O[C@H]1[C@H](NC(C)=O)[C@@H](N)CC(C(O)=O)=C1SC |r,c:18|
BDBM5222 CCCO[C@@H]1C=C(C[C@H](N=CN)[C@H]1NC(C)=O)C(O)=O |r,w:10.10,c:5|
BDBM5224 CCCO[C@@H]1C=C(C[C@H](N=C(N)NC)[C@H]1NC(C)=O)C(O)=O |r,w:10.10,c:5|
BDBM5231 CCCCN(CC)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
BDBM5232 CCCN(CCC)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
BDBM5237 CCC(CC)C(=O)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
BDBM5252 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCCCC1)C(O)=O |r,c:8|
BDBM5257 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCOCC1)C(O)=O |r,c:8|
BDBM5203 [H][C@]1(N[C@H](C[C@H]1C=C)C(O)=O)[C@H](CC(C)C)NC(C)=O |r|
BDBM5213 COCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:5|
BDBM5243 CCC(CC)C(=O)N1N=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
BDBM5244 [#6]-[#6]-[#6](-[#6]-[#6])-[#6](=O)-[#7]-1-[#7]=[#6](-[#6]-[#6@H](\[#7]=[#6](/[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |r,c:8|
BDBM5245 CCC(CC)C(=O)N1N=C(C[C@@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:8|
BDBM5246 [H][C@@](CC)(CC(O)=O)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10|
BDBM5247 [H][C@](CC)(CC(O)=O)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10|
BDBM5248 [H][C@@](CC)(CCO)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
BDBM5249 [H][C@](CC)(CCO)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
BDBM5268 CCC(CC)Nc1cc(ccc1NC(C)=O)C(O)=O
BDBM5269 CCC(CC)Oc1cc(ccc1NC(C)=O)C(O)=O
BDBM5272 [#6]-[#6]-[#6](-[#6]-[#6])-[#8]-c1cc(cc(\[#7]=[#6](/[#7])-[#7])c1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O
BDBM5215 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OCC=C)C(O)=O |r,c:8|
BDBM5216 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1OC1CCCC1)C(O)=O |r,c:8|
BDBM5220 CCCO[C@@H]1C=C(C[C@H](N)[C@H]1NC(=O)CC)C(O)=O |r,c:5|
BDBM5271 CCC(CC)Oc1cc(cc(N)c1NC(C)=O)C(O)=O
BDBM5221 CCCO[C@@H]1C=C(C[C@H](N)[C@H]1NS(C)(=O)=O)C(O)=O |r,c:5|
BDBM5225 CCCN(C)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
BDBM5226 CCCCN(C)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM5253 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCCCCC1)C(O)=O |r,c:8|
BDBM5254 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCCCCCC1)C(O)=O |r,c:8|
BDBM5255 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCCCCCCC1)C(O)=O |r,c:8|
BDBM5256 CCC1(CC)CN(C1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10|
BDBM5273 CC(=O)Nc1ccc(cc1O)C(O)=O
BDBM5274 CC(=O)Nc1ccc(cc1N)C(O)=O
BDBM5278 NC(=N)Nc1cc(ccc1N1CCCC1=O)C(O)=O
BDBM5279 NC(=N)Nc1cc(ccc1N1C(CO)CCC1=O)C(O)=O
BDBM5230 CCCN(CC)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM5233 CCCN[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:5|
BDBM5234 CCC(CC)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM5235 CCC(=O)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:6|
BDBM5236 CC(C)C(=O)N[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:7|
BDBM5238 CCCS[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:5|
BDBM5258 CN1CCN(CC1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
BDBM5259 CC1CCN(CC1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:9|
BDBM5260 CCC1CCN(CC1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:10|
BDBM5261 CCCC1CCN(CC1)[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:11|
BDBM5262 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1C2CCC1CCC2)C(O)=O |r,c:8|
BDBM5263 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCCCC[C@@H]1CO)C(O)=O |r,c:8|
BDBM5265 [#6]-[#6](=O)-[#7]-[#6@H]-1-[#6@@H](-[#6]=[#6](-[#8]-[#6@@H]-1-[#6@H](-[#8])-[#6@@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](/[#7])-[#7] |r,c:6|
BDBM5266 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6])-[#6](=O)-[#6@H]-1-[#8]-[#6](=[#6]-[#6@@H](\[#7]=[#6](/[#7])-[#7])-[#6@@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |r,c:11|
BDBM5267 CCC(CC)C(=O)Nc1cc(ccc1NC(C)=O)C(O)=O
BDBM5270 CCCC(CCC)Oc1cc(ccc1NC(C)=O)C(O)=O
BDBM5242 CCCC[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O |r,c:5|
BDBM5250 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCC1)C(O)=O |r,c:8|
BDBM5251 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N1CCCC1)C(O)=O |r,c:8|
BDBM11021 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#8]
BDBM50032861 CC(=O)NC1C(O)C=C(OC1[C@H](O)[C@H](O)CO)C(O)=O |c:7|
BDBM50040516 [#6]-[#6](=O)-[#7]-[#6]-1-[#6](-[#8]-[#6](=[#6]-[#6]-1\[#7+]=[#6](\[#7])-[#7])-[#6](-[#8-])=O)-[#6](-[#8])-[#6](-[#8])-[#6]-[#8] |c:7|
BDBM50040515 CC(=O)NC1C([NH3+])C=C(OC1[C@H](O)[C@H](O)CO)C([O-])=O |c:7|
BDBM50063302 CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r|
BDBM50063303 CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
BDBM50078325 [#7]-[#6]-[#6]-1-[#6]-[#6]-[#6](=O)-[#7]-1-c1ccc(cc1\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O
BDBM50078329 CCC(CC)Nc1cc(ccc1N1C(=O)CCC1(CO)CO)C(O)=O
BDBM50078330 [#7]\[#6](-[#7])=[#7]\c1cc(ccc1-[#7]1-[#6](=O)-[#6]-[#6]C1([#6]-[#8])[#6]-[#8])-[#6](-[#8])=O
BDBM50078331 CCC(CC)Nc1cc(ccc1N1CCCC1=O)C(O)=O
BDBM50078332 CC(=O)N[C@H]1[C@H](O)C[C@](O)(O[C@@H]1[C@H](O)[C@H](O)CO)C(O)=O
BDBM50078326 OCC1(CO)CCC(=O)N1c1ccc(cc1)C(O)=O
BDBM50078328 CC(=O)N[C@H]1[C@H](O)C=C(O[C@@H]1[C@H](O)[C@H](O)CO)C(O)=O |c:7|
BDBM50083322 CCN(CC)C(=O)[C@@H]1OC(=C[C@H]([NH3+])[C@H]1NC(C)=O)C(O)O |c:9|
BDBM50083326 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])-[#8] |c:9|
BDBM50083327 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-c1ccccc1)-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])-[#8] |c:17|
BDBM50083328 [#6]-[#7](-[#6])-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])-[#8] |c:7|
BDBM50083329 CC(=O)N[C@H]1[C@@H](OC(=C[C@@H]1[N+](C)(C)C)C(O)O)C(O)[C@H](O)CO |c:7|
BDBM50083331 [#6]-[#7]-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])-[#8] |c:6|
BDBM50083333 [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])-[#8])\[#7]=[#6](\[#7])-[#7] |c:6|
BDBM50083321 CCNC(=O)[C@@H]1OC(=C[C@H]([NH3+])[C@H]1NC(C)=O)C(O)O |c:7|
BDBM50083323 CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1C(O)[C@H](O)CO)C(O)O |c:7|
BDBM50083324 CC(=O)N[C@@H]1[C@@H]([NH3+])C=C(O[C@H]1C(O)[C@H](O)CO)C(O)O |c:7|
BDBM50083325 CN(C)C(=O)[C@@H]1OC(=C[C@H]([NH3+])[C@H]1NC(C)=O)C(O)O |c:7|
BDBM50083330 CNC(=O)[C@@H]1OC(=C[C@H]([NH3+])[C@H]1NC(C)=O)C(O)O |c:6|
BDBM50083332 CC(=O)N[C@@H]1[C@H]([NH3+])C=C(O[C@H]1C(O)[C@H](O)CO)C(O)O |c:7|
BDBM50083319 CC(=O)N[C@@H]1[C@@H]([NH3+])C=C(O[C@H]1C(=O)NCCc1ccccc1)C(O)O |c:7|
BDBM50083320 CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H]([NH3+])[C@H]1NC(C)=O)C(O)O |c:17|
BDBM50092140 [#6]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](-[#6])=O)-[#6@@H]-1-[#6]-[#6](-[#6]-[#6@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O
BDBM50092141 CC(=O)N[C@@H]([C@H](O)[C@H](O)CO)[C@H]1OC(O)(C[C@@H]1O)C(O)=O
BDBM50097648 CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)CC)C(O)=O |c:17|
BDBM50097649 CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@@H](O)[C@H]1NC(C)=O)C(O)=O |c:17|
BDBM50097650 CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(C)=O)C(O)=O |c:17|
BDBM50097651 CCCN(CCC)C(=O)[C@@H]1OC(=C[C@H](NCC)[C@H]1NC(C)=O)C(O)=O |c:11|
BDBM50097652 CCCN(CCC)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NS(C)(=O)=O)C(O)=O |c:11|
BDBM50097653 CCCN(CCC)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)C(C)C)C(O)=O |c:11|
BDBM50097654 CCCN(CCC)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)CC)C(O)=O |c:11|
BDBM50097655 CCCN(CCC)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)C(F)(F)F)C(O)=O |c:11|
BDBM50097656 CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)C1CC1)C(O)=O |c:17|
BDBM50097657 CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)CCC)C(O)=O |c:17|
BDBM50097658 CCCN(CCC)C(=O)[C@@H]1OC(=C[C@@H](N)[C@H]1NC(C)=O)C(O)=O |c:11|
BDBM50097659 CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(=O)C(F)(F)F)C(O)=O |c:17|
BDBM50097660 CCCN(CCC)C(=O)[C@@H]1OC(=C[C@H](NC)[C@H]1NC(C)=O)C(O)=O |c:11|
BDBM50097661 CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(=CC[C@H]1NC(C)=O)C(O)=O |c:17|
BDBM50098746 CCN(C(C)C)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098747 CCN(CC)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098749 CC(C)N(CCCO)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098750 CCN(C(C)C)C(=O)N1C[C@H]([C@@H](N)[C@@H]1CNC(=O)C=C)C(O)=O
BDBM50098731 CCN(C(C)C)C(=O)N1C[C@H]([C@@H](N)[C@@H]1CNC(=O)CC)C(O)=O
BDBM50098733 CCN(C(C)C)C(=O)N1C[C@H]([C@@H](N)[C@@H]1CNC(C)=O)C(O)=O
BDBM50098732 CC(C)N(CCCN)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098734 CC(C)N(CCO)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098735 CC(C)N(C(C)C)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098736 CC(C)N(CCCCC(O)=O)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098737 CC(C)N(CCCC(O)=O)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098738 CCC(CC)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098739 CC(C)(C)OC(=O)N1C[C@@H](N)[C@H](C1)C(O)=O |r|
BDBM50098740 CC(C)N(CCc1ccccn1)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098741 [#6]-[#6](-[#6])-[#7](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6@@H](\[#7]=[#6](\[#7])-[#7])-[#6@H](-[#6]-1)-[#6](-[#8])=O
BDBM50098742 CC(C)N(CCCCCO)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098743 CCN(C(C)C)C(=O)N1C[C@H]([C@@H](N)[C@@H]1CNS(C)(=O)=O)C(O)=O
BDBM50098744 CCCN(CCC)C(=O)N1C[C@H](N)[C@@H](C1)C(O)=O
BDBM50098745 CCN(C(C)C)C(=O)N1C[C@H]([C@@H](N)[C@@H]1CNC(=O)C(F)(F)F)C(O)=O
BDBM50149227 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1NCCCc1ccccc1)C(O)=O |c:8|
BDBM50149228 CC(=O)N[C@@H]1[C@@H](N)CC(=C[C@H]1N)C(O)=O |c:8|
BDBM50157213 CC(C)C[C@H](NC(C)=O)[C@@H]1O[C@H](C[C@H]1c1cnc[nH]1)C(O)=O
BDBM50157212 COC(=O)[C@@H]1C[C@@H](O[C@H]1[C@H](CC(C)C)NC(C)=O)C(O)=O
BDBM50165355 [#6]-[#6](=O)-[#7]-[#6]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |c:6|
BDBM50165356 [#6]-[#6](=O)-[#7]-[#6]-1-[#6@@H](-[#8]-[#6](=[#6]-[#6@@H]-1\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#6@H](-[#8]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#8]-[#6@H](-[#6](-[#8])-[#6]-[#8])-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O)-[#6](-[#8])-[#6]-[#8] |c:7,46|
BDBM50262390 Oc1c(O)c(CN2CCCC2)c2oc(cc(=O)c2c1O)-c1ccccc1
BDBM50262391 Oc1c(O)c(CN2CCCCC2)c2oc(cc(=O)c2c1O)-c1ccccc1
BDBM50262444 CN1CCN(Cc2c(O)c(O)c(O)c3c2oc(cc3=O)-c2ccccc2)CC1
BDBM50288447 CCNC(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |c:7|
BDBM50288448 CNC(=O)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |c:6|
BDBM50289700 CCCO[C@@H]1C=C(C[C@H](NC=N)[C@H]1NC(C)=O)C(O)=O |c:5|
BDBM50290062 CCCCc1noc(n1)[C@@H]1OC(=C[C@H](N)[C@H]1NC(C)=O)C(O)=O |c:12|
BDBM50290063 CCCn1nc(Cc2ccccc2)nc1[C@@H]1OC(=C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(C)=O)C(=O)OC(c1ccccc1)c1ccccc1 |c:19|
BDBM50290064 CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1c1nc(C)no1)C(O)=O |c:7|
BDBM50290065 CCCn1nc(nc1Cc1ccccc1)[C@@H]1OC(=C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(C)=O)C(=O)OC(c1ccccc1)c1ccccc1 |c:19|
BDBM50290066 CCCCc1nnc([C@@H]2OC(=C[C@H](N)[C@H]2NC(C)=O)C(O)=O)n1CCC |c:10|
BDBM50290067 CC(=O)N[C@@H]1[C@@H](NC(=O)OC(C)(C)C)C=C(O[C@H]1c1nnc(Cc2ccccc2)[nH]1)C(=O)OC(c1ccccc1)c1ccccc1 |c:14|
BDBM50290068 CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1c1nc(no1)-c1ccccc1)C(O)=O |c:7|
BDBM50290069 CC(=O)N[C@@H]1[C@@H](N)C=C(O[C@H]1c1nc(Cc2ccccc2)no1)C(O)=O |c:7|
BDBM50289701 CCCO[C@@H]1C=C(C[C@H](N=C(N)NC)[C@H]1NC(C)=O)C(O)=O |w:10.10,c:5|
BDBM50289699 [#6]-[#6]-[#6]-[#8]-[#6@@H]-1-[#6]=[#6](-[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:5|
BDBM50288444 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-c1ccccc1)-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:17|
BDBM50288445 [#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6])-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:13|
BDBM50288446 [#6]-[#7]-[#6](=O)-[#6@@H]-1-[#8]-[#6](=[#6]-[#6@H](\[#7]=[#6](\[#7])-[#7])-[#6@H]-1-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |c:6|
BDBM50300189 O[C@@H](CC\C=C\c1ccccc1)CCc1ccccc1 |r|
BDBM50300191 O=C(CCc1ccccc1)C=CC=Cc1ccccc1 |w:10.10,12.12|
BDBM50300188 O=C(CCc1ccccc1)C[C@@H]1C[C@@H](c2ccccc2)c2c(O1)cc(\C=C\c1ccccc1)oc2=O |r|
BDBM50300190 O[C@@H](CCc1ccccc1)C[C@H](O)\C=C\c1ccccc1 |r|
BDBM50300192 O=C(CCc1ccccc1)CC(=O)C=Cc1ccccc1 |w:13.13|
BDBM50330326 [#6]-[#6](=O)-[#7]-[#6@@H]-1-[#6@H](-[#6]=[#6](-[#8]-[#6@H]-1-[#6@H](-[#8])-[#6@H](-[#8])-[#6]-[#8])-[#6](-[#8])=O)\[#7]=[#6](\[#7])-[#7] |r,c:6|
BDBM50354141 OCCN1CCN(Cc2c(O)c(O)c(O)c3c2oc(cc3=O)-c2ccccc2)CC1
BDBM50354142 OC1CCN(Cc2c(O)c(O)c(O)c3c2oc(cc3=O)-c2ccccc2)CC1
BDBM50354143 CC1CCCCN1Cc1c(O)c(O)c(O)c2c1oc(cc2=O)-c1ccccc1
BDBM50354144 C[C@H]1COC[C@@H](C)N1Cc1c(O)c(O)c(O)c2c1oc(cc2=O)-c1ccccc1 |r|
BDBM50354145 OCC1CCN(Cc2c(O)c(O)c(O)c3c2oc(cc3=O)-c2ccccc2)CC1
BDBM50354146 OC1CCCN(Cc2c(O)c(O)c(O)c3c2oc(cc3=O)-c2ccccc2)C1
BDBM50354147 Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1CN1CCCC1
BDBM50354148 CN1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccccc2)CC1
BDBM50354149 Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1CN1CCOCC1
BDBM50354150 OC1CCCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccccc2)C1
BDBM50354151 OC1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccccc2)CC1
BDBM50354152 OCCN1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccccc2)CC1
BDBM50354153 OCC1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccccc2)CC1
BDBM50354154 Oc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O)c(CN3CCCCC3)c2o1
BDBM50354155 OC1CCCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)c(O)c2)C1
BDBM50354156 OCC1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)c(O)c2)CC1
BDBM50354157 Oc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O)c(CN3CCOCC3)c2o1
BDBM50354158 CN1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)c(O)c2)CC1
BDBM50354159 C[C@H]1COC[C@@H](C)N1Cc1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1 |r|
BDBM50354160 CC1CCCCN1Cc1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1
BDBM50354161 OC1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)CC1
BDBM50354162 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCOCC3)c2o1
BDBM50354163 CC1CCCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)C1
BDBM50354164 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCN(Cc4ccccc4)CC3)c2o1
BDBM50354165 O[C@H]1COC[C@@H](O)N1Cc1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |r|
BDBM50354166 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCC(Cc4ccccc4)CC3)c2o1
BDBM50354167 OC1CCCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)C1
BDBM50354168 OCC1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)CC1
BDBM50354169 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(CN3CCCC3)c2o1
BDBM50354170 CC1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)CC1
BDBM50354171 CN1CCN(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)CC1
BDBM50354172 OC[C@@H]1CCCN1Cc1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |r|
BDBM50360450 CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O |r|
BDBM50360451 OC[C@@H](O)[C@@H](O)[C@@H]1OC(O)(C[C@H](O)[C@H]1NC(=O)C=C)C(O)=O |r|
BDBM50360452 CCCCCCCCCCCCS[C@@]1(C[C@H](O)[C@@H](NC(=O)CCCCCNC(=O)C=C)[C@@H](O1)[C@H](O)[C@H](O)CO)C(O)=O |r|