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-])[C@H]1CCCN1Cc1c([O-])ccc(Cl)c1F	ZINC000840995784	639610828	/nfs/dbraw/zinc/61/08/28/639610828.db2.gz	XBVLUJRJQDWTLV-SECBINFHSA-N	-2	0	273.691	2.234	20	10		CECDRL
Nc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1	ZINC001176241944	816373423	/nfs/dbraw/zinc/37/34/23/816373423.db2.gz	GBFCGCIGRUVYJM-UHFFFAOYSA-N	-2	0	272.260	2.409	20	10		CECDRL
O=C([O-])NCc1ccc(NC(=O)C2=CC(=O)CS2)cc1	ZINC000739992918	574938286	/nfs/dbraw/zinc/93/82/86/574938286.db2.gz	XWYOAGXKBOGNEG-UHFFFAOYSA-N	-2	0	292.316	2.474	20	10		CECDRL
CN(c1ccc(N)cc1)c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC001176244263	816373765	/nfs/dbraw/zinc/37/37/65/816373765.db2.gz	JDCGOMVCGCBAIT-UHFFFAOYSA-N	-2	0	286.287	2.433	20	10		CECDRL
O=C([O-])c1cc(Nc2cccc(O)c2O)cc(C(=O)[O-])c1	ZINC001176241676	816373129	/nfs/dbraw/zinc/37/31/29/816373129.db2.gz	REBANHYLOFROQL-UHFFFAOYSA-N	-2	0	289.243	2.238	20	10		CECDRL
Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c([N+](=O)[O-])c2)o1	ZINC000775286359	646937391	/nfs/dbraw/zinc/93/73/91/646937391.db2.gz	QKJGHFGMILHERP-UHFFFAOYSA-N	-2	0	298.276	2.003	20	10		CECDRL
O=C([O-])NC1(CNC(=O)C2=CC(=O)CS2)CCCCC1	ZINC000740547699	574958716	/nfs/dbraw/zinc/95/87/16/574958716.db2.gz	LPEIDOHOEBKUAB-UHFFFAOYSA-N	-2	0	298.364	2.154	20	10		CECDRL
O=C([O-])CN(Cc1ccno1)Cc1cc(Cl)ccc1O	ZINC000739799513	574933344	/nfs/dbraw/zinc/93/33/44/574933344.db2.gz	SKYUEVKLOJZAIE-UHFFFAOYSA-N	-2	0	296.710	2.120	20	10		CECDRL