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-])c1ccc(-n2c(O)c3c(C(=O)c4ccc(Cl)cc4)nn(-c4ccccc4)c3c2O)cc1	ZINC000100354621	569757930	/nfs/dbraw/zinc/75/79/30/569757930.db2.gz	NFJRTSMFTWSKQO-FPOVZHCZSA-N	-1	2	473.872	3.655	40	0		JHABLM
O=S(=O)([N-]c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)n1)c1ccc(Cl)cc1	ZINC000013985720	555666838	/nfs/dbraw/zinc/66/68/38/555666838.db2.gz	NJJLGXXDDPIEAI-UHFFFAOYSA-N	-1	2	458.348	3.990	40	0		JHABLM
COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000108189583	569858987	/nfs/dbraw/zinc/85/89/87/569858987.db2.gz	ZLDBTNGSXJXFFQ-LICLKQGHSA-N	-1	2	496.859	3.885	40	0		JHABLM
O=S(=O)([N-]c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Br)s1	ZINC000013948173	555658782	/nfs/dbraw/zinc/65/87/82/555658782.db2.gz	CQVQHLKXOOCXBM-UHFFFAOYSA-N	-1	2	480.412	3.569	40	0		JHABLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000015231189	555889509	/nfs/dbraw/zinc/88/95/09/555889509.db2.gz	FLNAURIRAWXOIY-KGENOOAVSA-N	-1	2	472.453	3.639	40	0		JHABLM
O=C([O-])c1ccc(-n2c(O)c3c(C(=O)c4ccc(Cl)cc4)nn(-c4ccccc4)c3c2O)cc1	ZINC000024718069	556147185	/nfs/dbraw/zinc/14/71/85/556147185.db2.gz	NFJRTSMFTWSKQO-CTNGQTDRSA-N	-1	2	473.872	3.655	40	0		JHABLM
Cc1cccc(N2C(=O)NC(=O)C(=Cc3cn(Cc4ccc(C(=O)[O-])o4)c4ccccc34)C2=O)c1	ZINC000109035901	569860345	/nfs/dbraw/zinc/86/03/45/569860345.db2.gz	FZORFHTZURXIEJ-UDWIEESQSA-N	-1	2	469.453	3.956	40	0		JHABLM
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)C(=O)[O-])n2)c1	ZINC000408633083	569984133	/nfs/dbraw/zinc/98/41/33/569984133.db2.gz	LJMYOTHDIZMOMX-LPGQDOADSA-N	-1	2	479.518	3.588	40	0		JHABLM
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3c(C)[nH]n(-c4ccccc4)c3=O)C(=O)[O-])n2)c1	ZINC000408633085	569984211	/nfs/dbraw/zinc/98/42/11/569984211.db2.gz	LJMYOTHDIZMOMX-LSCADSNKSA-N	-1	2	479.518	3.588	40	0		JHABLM
O=C([O-])c1ccc(-n2c(O)c3c(C(=O)c4ccc(Cl)cc4)nn(-c4ccccc4)c3c2O)cc1	ZINC000100354616	569757958	/nfs/dbraw/zinc/75/79/58/569757958.db2.gz	NFJRTSMFTWSKQO-TZIWHRDSSA-N	-1	2	473.872	3.655	40	0		JHABLM
O=C([O-])c1ccc(-n2c(O)c3c(C(=O)c4ccc(Cl)cc4)nn(-c4ccccc4)c3c2O)cc1	ZINC000003849281	194364639	/nfs/dbraw/zinc/36/46/39/194364639.db2.gz	NFJRTSMFTWSKQO-PZJWPPBQSA-N	-1	2	473.872	3.655	40	0		JHABLM
COc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3-c3cccc(C(=O)[O-])c3)C2=O)c(OC)c1	ZINC000096835858	569743372	/nfs/dbraw/zinc/74/33/72/569743372.db2.gz	PYDKXYSSXWIWNT-LDADJPATSA-N	-1	2	461.430	3.699	40	0		JHABLM