smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1C(=O)[O-]	ZINC000078938821	205045059	/nfs/dbraw/zinc/04/50/59/205045059.db2.gz	HBWZVKCVPGIMAJ-UHFFFAOYSA-N	-2	1	350.783	3.019	50	30		FGEAML
CCCCCCCCc1ccc(CC[C@](N)(CO)OP(=O)([O-])[O-])cc1	ZINC000036178164	208148395	/nfs/dbraw/zinc/14/83/95/208148395.db2.gz	KLULNXUHMWEEKT-GOSISDBHSA-N	-2	1	373.430	3.279	50	30		FGEAML
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1	ZINC000005826247	493943854	/nfs/dbraw/zinc/94/38/54/493943854.db2.gz	QRRZWQODIIZPLL-UHFFFAOYSA-N	-2	1	368.798	3.447	50	30		FGEAML
Cc1cc([O-])c(C(=O)/C=C/c2cc(C(=O)[O-])cc3c2OCOC3)cc1C	ZINC000004026679	493860996	/nfs/dbraw/zinc/86/09/96/493860996.db2.gz	QPXPMZIQVSHHIV-ONEGZZNKSA-N	-2	1	354.358	3.470	50	30		FGEAML
Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1	ZINC000076936447	493991618	/nfs/dbraw/zinc/99/16/18/493991618.db2.gz	YEQKOVJLDKBTPL-UHFFFAOYSA-N	-2	1	350.783	3.019	50	30		FGEAML
Cc1cc2c(c([O-])c1-c1c(C)cc(O)c3c1C(=O)C=CC3=O)C(=O)C=CC2=O	ZINC000000899329	219337590	/nfs/dbraw/zinc/33/75/90/219337590.db2.gz	OEEOHKZVBKYMBA-UHFFFAOYSA-N	-2	1	374.348	3.252	50	30	biogenic,in-vitro	FGEAML
O=C([O-])c1cc2ccccc2c([C@H]2Nc3ccccc3C(=O)N2[O-])c1O	ZINC000006235062	207134498	/nfs/dbraw/zinc/13/44/98/207134498.db2.gz	DWKPGTOJWJKDOZ-KRWDZBQOSA-N	-2	1	350.330	3.199	50	30		FGEAML
N#Cc1cccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1	ZINC000058488440	493859337	/nfs/dbraw/zinc/85/93/37/493859337.db2.gz	SIKZWXRGKNTQEO-UHFFFAOYSA-N	-2	1	371.201	3.364	50	30		FGEAML
O=C([O-])c1cc2ccccc2c([C@@H]2Nc3ccccc3C(=O)N2[O-])c1O	ZINC000006235061	207134304	/nfs/dbraw/zinc/13/43/04/207134304.db2.gz	DWKPGTOJWJKDOZ-QGZVFWFLSA-N	-2	1	350.330	3.199	50	30		FGEAML
N#Cc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(C(F)(F)F)c2)c1	ZINC000052471927	221038503	/nfs/dbraw/zinc/03/85/03/221038503.db2.gz	ZPPCFXRXZCIERR-UHFFFAOYSA-N	-2	1	370.308	3.076	50	30		FGEAML
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1	ZINC000073353681	494361856	/nfs/dbraw/zinc/36/18/56/494361856.db2.gz	NWSPWCRSJWKZGB-UHFFFAOYSA-N	-2	1	350.783	3.019	50	30		FGEAML