smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2c(nc(NN=C3C(=O)Nc4ccccc43)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000005223146	527560062	/nfs/dbraw/zinc/56/00/62/527560062.db2.gz	KTIOQJISOHJZQO-COWRGJDNSA-N	0	0	442.392	-1.918	10	30		IAEERN
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(OC)OC	ZINC000031457890	519302395	/nfs/dbraw/zinc/30/23/95/519302395.db2.gz	HUVIXLWRQSMCLN-PXRCHJMLSA-N	0	0	434.438	-1.357	10	30	biogenic,in-vitro	IAEERN
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)NCC(=O)N[C@H](CCC(=O)[O-])C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000033379529	569587500	/nfs/dbraw/zinc/58/75/00/569587500.db2.gz	DJXDNYKQOZYOFK-AEJSXWLSSA-N	0	0	447.449	-4.605	10	30		IAEERN