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([O-])c1cc([O-])c(O)c(F)c1	13542905	571988628	/nfs/dbraw/zinc/98/86/28/571988628.db2.gz	RTYDIWLGIZQTKB-UHFFFAOYSA-N	-2	3	172.111	0.935	10	10		ACCEHL
O=c1cc([O-])c2ccc([O-])c(O)c2o1	75581537	573636045	/nfs/dbraw/zinc/63/60/45/573636045.db2.gz	CNTKQZXDAYRFBY-UHFFFAOYSA-N	-2	3	194.142	0.910	10	10		ACCEHL
O=C([O-])Cc1c(F)ccc(O)c1[O-]	258085547	573690839	/nfs/dbraw/zinc/69/08/39/573690839.db2.gz	NMCSPWBIFPDXPQ-UHFFFAOYSA-N	-2	3	186.138	0.864	10	10		ACCEHL
O=C([O-])c1cc(CNO)c([O-])cc1O	258163091	573851006	/nfs/dbraw/zinc/85/10/06/573851006.db2.gz	PRAYOMIDOIIYPG-UHFFFAOYSA-N	-2	3	199.162	0.275	10	10		ACCEHL
CC(=O)C(=O)c1ccc([O-])cc1[O-]	1562452	571773940	/nfs/dbraw/zinc/77/39/40/571773940.db2.gz	MOVQQBCNWHNYBP-UHFFFAOYSA-N	-2	3	180.159	0.870	10	10		ACCEHL
O=Cc1cc(C(=O)[O-])cc(O)c1[O-]	139757340	571975156	/nfs/dbraw/zinc/97/51/56/571975156.db2.gz	APVIGWISCMXNLA-UHFFFAOYSA-N	-2	3	182.131	0.609	10	10		ACCEHL
O=C([O-])c1ccc(O)c([O-])c1F	32303108	571976712	/nfs/dbraw/zinc/97/67/12/571976712.db2.gz	QVCKWFKEKPOSQC-UHFFFAOYSA-N	-2	3	172.111	0.935	10	10		ACCEHL
O=[N+]([O-])c1cc(O)c([O-])cc1[O-]	21303639	572243852	/nfs/dbraw/zinc/24/38/52/572243852.db2.gz	OXNDPOQEDXDTRR-UHFFFAOYSA-N	-2	3	171.108	0.712	10	10		ACCEHL
Cc1cc(C(=O)C(=O)[O-])cc(O)c1[O-]	258106377	573727328	/nfs/dbraw/zinc/72/73/28/573727328.db2.gz	PGAKXBYSPKSQIX-UHFFFAOYSA-N	-2	3	196.158	0.674	10	10		ACCEHL
CC1=C([O-])C(N)C([O-])=NC1=O	238546446	573862893	/nfs/dbraw/zinc/86/28/93/573862893.db2.gz	ZDYZMYAJDFWYGC-UHFFFAOYSA-N	-2	3	156.141	0.089	10	10		ACCEHL
O=C([O-])c1ccc(F)c([O-])c1O	39128420	169357925	/nfs/dbraw/zinc/35/79/25/169357925.db2.gz	IIFIBQCNFXRXIR-UHFFFAOYSA-N	-2	3	172.111	0.935	10	10		ACCEHL
N#C[N-]C(=O)c1ccc([O-])c(O)c1	236626440	344790327	/nfs/dbraw/zinc/79/03/27/344790327.db2.gz	DEJSUBXOCMDDJJ-UHFFFAOYSA-N	-2	3	178.147	0.309	10	10		ACCEHL
O=C(N[O-])C(=O)c1ccc([O-])c(O)c1	584650979	346742454	/nfs/dbraw/zinc/74/24/54/346742454.db2.gz	ZQGMMTVVRVABHH-SSDOTTSWSA-N	-2	3	197.146	0.424	10	10		ACCEHL
O=C(N[O-])C(=O)c1ccc([O-])c(O)c1	584650980	346742503	/nfs/dbraw/zinc/74/25/03/346742503.db2.gz	ZQGMMTVVRVABHH-ZETCQYMHSA-N	-2	3	197.146	0.424	10	10		ACCEHL