smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C[C@@H](CCO)c1c([O-])cc2c(c1O)C(=O)c1c(O)cc([O-])cc1C2=O	ZINC000006091283	560205108	/nfs/dbraw/zinc/20/51/08/560205108.db2.gz	GMVJTFZRAUCHLC-SSDOTTSWSA-N	-2	3	358.302	0.949	1	30	in-vitro	FCEFHL
O=C([O-])C1=CC(=CC=N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])C[C@H](C(=O)[O-])N1	ZINC000100364294	571803160	/nfs/dbraw/zinc/80/31/60/571803160.db2.gz	MBFJCQLVRQZZOV-OKHJIJNZSA-N	-3	3	374.349	0.800	1	30	endogenous,in-man	FCEFHL
CCCCCCCn1cc[n+](CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-])c1	ZINC000095587002	209082144	/nfs/dbraw/zinc/08/21/44/209082144.db2.gz	MVMLQQPRQODUEQ-UHFFFAOYSA-O	-3	3	371.287	0.748	1	30		FCEFHL
O=C[C@H](CCO)c1c([O-])cc2c(c1O)C(=O)c1c(O)cc([O-])cc1C2=O	ZINC000006091282	560205115	/nfs/dbraw/zinc/20/51/15/560205115.db2.gz	GMVJTFZRAUCHLC-ZETCQYMHSA-N	-2	3	358.302	0.949	1	30	in-vitro	FCEFHL
O=C([O-])C1=CC(=CC=N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])C[C@@H](C(=O)[O-])N1	ZINC000030726503	571742186	/nfs/dbraw/zinc/74/21/86/571742186.db2.gz	MBFJCQLVRQZZOV-BXGCPZJMSA-N	-3	3	374.349	0.800	1	30	endogenous,in-man	FCEFHL
O=C([O-])C1=CC(=CC=N[C@H](Cc2ccc(O)cc2)C(=O)[O-])C[C@H](C(=O)[O-])N1	ZINC000100364298	571803363	/nfs/dbraw/zinc/80/33/63/571803363.db2.gz	MBFJCQLVRQZZOV-RGWCUHRPSA-N	-3	3	374.349	0.800	1	30	endogenous,in-man	FCEFHL
O=C([O-])C1=CC(=CC=N[C@H](Cc2ccc(O)cc2)C(=O)[O-])C[C@@H](C(=O)[O-])N1	ZINC000034944251	571752725	/nfs/dbraw/zinc/75/27/25/571752725.db2.gz	MBFJCQLVRQZZOV-LSFZBACVSA-N	-3	3	374.349	0.800	1	30	endogenous,in-man	FCEFHL