smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1C=C1SC(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)=NC1=O	ZINC000016928259	210199052	/nfs/dbraw/zinc/19/90/52/210199052.db2.gz	LGNLRKXCAVCGSS-DHDCSXOGSA-N	-2	0	382.397	3.474	10	10		GGCERL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1	ZINC000016926695	210198079	/nfs/dbraw/zinc/19/80/79/210198079.db2.gz	ILWIYZXRGGLJQP-NSIKDUERSA-N	-2	0	385.422	3.489	10	10		GGCERL
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccccc1[S-]	ZINC000101512431	136189727	/nfs/dbraw/zinc/18/97/27/136189727.db2.gz	LAXDKGCPDMOVAG-FMIVXFBMSA-N	-2	0	389.889	3.372	10	10		GGCERL
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)[N-]N(c4cccc(F)c4)C3=O)o2)cc1	ZINC000002123902	570588745	/nfs/dbraw/zinc/58/87/45/570588745.db2.gz	SBYJMJYJKHOALO-GZTJUZNOSA-N	-2	0	392.342	3.245	10	10		GGCERL
O=C([O-])c1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(F)cc4)C3=O)o2)cc1	ZINC000027548723	207326583	/nfs/dbraw/zinc/32/65/83/207326583.db2.gz	NZOHJUYQDXCWQH-BOPFTXTBSA-N	-2	0	392.342	3.245	10	10		GGCERL
O=C([O-])CCCCCN1C(=O)/C(=C\c2ccccc2C(=O)[O-])SC1=S	ZINC000003196252	564193387	/nfs/dbraw/zinc/19/33/87/564193387.db2.gz	DHSIAFJABIJPPX-JLHYYAGUSA-N	-2	0	379.459	3.231	10	10		GGCERL
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2[O-])o1	ZINC000033290949	570959217	/nfs/dbraw/zinc/95/92/17/570959217.db2.gz	DJUUZXKLCIZGTG-LFIBNONCSA-N	-2	0	391.339	3.022	10	10		GGCERL
Cc1ccc(N2[N-]C(=O)/C(=C\c3cc([N+](=O)[O-])cc(C)c3[O-])C2=O)cc1Cl	ZINC000033334161	570988393	/nfs/dbraw/zinc/98/83/93/570988393.db2.gz	AZRSAHABUSVDJX-VGOFMYFVSA-N	-2	0	387.779	3.032	10	10		GGCERL
O=C([O-])CCCCCN1C(=O)/C(=C/c2ccccc2C(=O)[O-])SC1=S	ZINC000003196253	1398328037	/nfs/dbraw/zinc/32/80/37/1398328037.db2.gz	DHSIAFJABIJPPX-RAXLEYEMSA-N	-2	0	379.459	3.231	10	10		GGCERL
Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccccc1Cl	ZINC000100056721	209244353	/nfs/dbraw/zinc/24/43/53/209244353.db2.gz	UYWILNNNPUQBFM-AMGRQBIBSA-N	-2	0	392.824	3.462	10	10		GGCERL
Cc1[n-]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1N=Nc1ccccc1Cl	ZINC000100056725	209242851	/nfs/dbraw/zinc/24/28/51/209242851.db2.gz	UYWILNNNPUQBFM-MJWGMMHASA-N	-2	0	392.824	3.462	10	10		GGCERL