smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)OC[C@H]1[C@@H](NC(=O)/C(=N\OCC(=O)[O-])c2csc(N)n2)C(=O)N1S(=O)(=O)[O-]	ZINC000003871892	554471321	/nfs/dbraw/zinc/47/13/21/554471321.db2.gz	UIMOJFJSJSIGLV-OKWIIPLKSA-N	-2	0	466.410	-2.876	40	30		JAEBRL
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12	ZINC000100026355	569751459	/nfs/dbraw/zinc/75/14/59/569751459.db2.gz	JLGOGFIHBRJQHY-PXOLEDIWSA-N	-2	0	460.439	-1.400	40	30	endogenous,world	JAEBRL
C[NH+](C)[C@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12	ZINC000199067817	569873913	/nfs/dbraw/zinc/87/39/13/569873913.db2.gz	OWFJMIVZYSDULZ-DVJPNYBFSA-N	-2	0	460.439	-1.400	40	30		JAEBRL
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@](C)(O)[C@@H]3[C@H](O)[C@H]12	ZINC000199197726	569873955	/nfs/dbraw/zinc/87/39/55/569873955.db2.gz	OWFJMIVZYSDULZ-LVCUWANOSA-N	-2	0	460.439	-1.400	40	30		JAEBRL
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@](C)(O)[C@@H]3[C@@H](O)[C@@H]12	ZINC000255974500	570106510	/nfs/dbraw/zinc/10/65/10/570106510.db2.gz	GNLYBLYBNKNSMS-DIVVDKGYSA-N	-2	0	459.431	-1.912	40	30		JAEBRL
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@](C)(O)[C@@H]3[C@H](O)[C@@H]12	ZINC000255974501	570106487	/nfs/dbraw/zinc/10/64/87/570106487.db2.gz	GNLYBLYBNKNSMS-NRLWGBLKSA-N	-2	0	459.431	-1.912	40	30		JAEBRL
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@](C)(O)[C@@H]3[C@H](O)[C@H]12	ZINC000255974502	570106551	/nfs/dbraw/zinc/10/65/51/570106551.db2.gz	GNLYBLYBNKNSMS-SCGZRSDQSA-N	-2	0	459.431	-1.912	40	30		JAEBRL
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)cccc4[C@](C)(O)[C@@H]3[C@@H](O)[C@H]12	ZINC000255974503	570106528	/nfs/dbraw/zinc/10/65/28/570106528.db2.gz	GNLYBLYBNKNSMS-XVSWWLNXSA-N	-2	0	459.431	-1.912	40	30		JAEBRL
NC(=O)OC[C@@H]1[C@H](NC(=O)C(=NOCC(=O)[O-])c2csc(N)n2)C(=O)N1S(=O)(=O)[O-]	ZINC000299888697	570177942	/nfs/dbraw/zinc/17/79/42/570177942.db2.gz	UIMOJFJSJSIGLV-XRGYYRRGSA-N	-2	0	466.410	-2.876	40	30		JAEBRL