smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#Cc1ccc(C(F)(F)P(=O)([O-])[O-])cc1	ZINC000027620564	187208111	/nfs/dbraw/zinc/20/81/11/187208111.db2.gz	ALFITTJMFMRINW-UHFFFAOYSA-N	-2	0	232.122	1.895	1	30		BDEFRL
[N-]=[N+]=Nc1cccc(C([O-])=CC(=O)C(=O)[O-])c1	ZINC000028223194	187255674	/nfs/dbraw/zinc/25/56/74/187255674.db2.gz	VEQMPLINYKNVHC-UHFFFAOYSA-N	-2	0	233.183	1.855	1	30		BDEFRL
O=C([O-])C/N=C/c1cc(F)cc(Cl)c1[O-]	ZINC000103197313	187291212	/nfs/dbraw/zinc/29/12/12/187291212.db2.gz	ADVZJGGXUWNBNP-KGVSQERTSA-N	-2	0	231.610	1.688	1	30		BDEFRL
C=C(C(=O)[O-])[C@@H](CCCC(=O)OCC)C(=O)[O-]	ZINC000014438647	560221391	/nfs/dbraw/zinc/22/13/91/560221391.db2.gz	DFYGVGBRRIMUSH-MRVPVSSYSA-N	-2	0	244.243	1.061	1	30	in-vitro	BDEFRL
N#Cc1c(-c2ccccc2[S-])nc(N)[n-]c1=O	ZINC000042922478	188121763	/nfs/dbraw/zinc/12/17/63/188121763.db2.gz	COTQWQXTQRFXJZ-UHFFFAOYSA-N	-2	0	244.279	1.349	1	30		BDEFRL
N#Cc1c(Cc2ccccc2)cc([O-])[n-]c1=O	ZINC000103292874	181073097	/nfs/dbraw/zinc/07/30/97/181073097.db2.gz	DVZCBUDCDLDNNP-UHFFFAOYSA-N	-2	0	226.235	1.543	1	30		BDEFRL
C/C(=N\OCC(=O)[O-])c1ccccc1C(=O)[O-]	ZINC000169347653	188338701	/nfs/dbraw/zinc/33/87/01/188338701.db2.gz	PUMGLGHFCZOZCF-KPKJPENVSA-N	-2	0	237.211	1.210	1	30		BDEFRL
O=C([O-])C(=O)C=C([O-])c1ccc(Cl)cc1	ZINC000004531713	182416059	/nfs/dbraw/zinc/41/60/59/182416059.db2.gz	LCESOLCZKJZTDB-YVMONPNESA-N	-2	0	226.615	1.893	1	30		BDEFRL