C[S@@+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	ZINC000004214738	35/95/35/525359535	MEFKEPWMEQBLKI-TYYLHDHTSA-O	1	399.453	GA	-1.922	0	Mild	ref	GAEARO	C[S@@+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	world endogenous
C[S@+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	ZINC000004228231	35/92/20/525359220	MEFKEPWMEQBLKI-FCKMPRQPSA-O	1	399.453	GA	-1.922	0	Mild	ref	GAEARO	C[S@+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	world endogenous
Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000005163085	11/65/13/204116513	MGEBVSZZNFOIRB-UUOKFMHZSA-N	0	393.141	GA	-1.375	0	Anodyne	ref	GAAARN	Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	 
C[C@@H]1[C@@H](O)C[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21	ZINC000006031801	16/15/00/204161500	JNNGEAWILNVFFD-OZFVSFPVSA-N	-1	376.358	GA	-2.239	0	Anodyne	ref	GAABRM	C[C@@H]1[C@@H](O)C[C@@H]2C(C(=O)[O-])=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21	in-vitro biogenic
O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O	ZINC000019419017	24/84/98/210248498	QPCDCPDFJACHGM-UHFFFAOYSA-N	-5	393.349	GA	-2.685	3	Anodyne	high	GAAAHL	O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-]	fda
O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O	ZINC000019419017	24/84/95/210248495	QPCDCPDFJACHGM-UHFFFAOYSA-N	-3	393.349	GA	-2.685	2	Anodyne	low	GAAALL	O=C([O-])CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])CC[NH+](CC(=O)[O-])CC(=O)[O-]	fda
O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O	ZINC000019419017	24/84/89/210248489	QPCDCPDFJACHGM-UHFFFAOYSA-N	-4	393.349	GA	-2.685	0	Anodyne	ref	GAAARL	O=C([O-])CN(CC[NH+](CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]	fda
C[C@@H]1[C@@H](O)C[C@@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21	ZINC000021992897	24/54/49/207245449	JNNGEAWILNVFFD-YUNZMENISA-N	-1	376.358	GA	-2.239	0	Anodyne	ref	GAABRM	C[C@@H]1[C@@H](O)C[C@@H]2C(C(=O)[O-])=CO[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21