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-])Nc1ccc(C(=O)NNc2ccc(F)cc2)c([O-])c1	ZINC000834255182	605751444	/nfs/dbraw/zinc/75/14/44/605751444.db2.gz	GQLULRBEKUKRJN-UHFFFAOYSA-N	-2	1	305.265	2.378	20	50		DEGDML
O=C([O-])Nc1ccc(C(=O)NNc2cccc(F)c2)c([O-])c1	ZINC000834257331	605764320	/nfs/dbraw/zinc/76/43/20/605764320.db2.gz	LUIJSYXTKRKCCC-UHFFFAOYSA-N	-2	1	305.265	2.378	20	50		DEGDML
O=C([O-])C1CCC(=NNC(=O)c2cc(Cl)ccc2[O-])CC1	ZINC000814777207	955361323	/nfs/dbraw/zinc/36/13/23/955361323.db2.gz	QTYOPHJEUFJPLI-UHFFFAOYSA-N	-2	1	310.737	2.406	20	50		DEGDML
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)[N-]NC(=O)[O-]	ZINC000738397118	978532842	/nfs/dbraw/zinc/53/28/42/978532842.db2.gz	JUZQEPKKUSJCIM-UHFFFAOYSA-N	-2	1	313.672	2.355	20	50		DEGDML
O=C([O-])c1ccc(C=NNC(=O)c2cc3ccccc3cc2[O-])[nH]1	ZINC000749806887	978688963	/nfs/dbraw/zinc/68/89/63/978688963.db2.gz	HVAXFDDNOGLPCG-UHFFFAOYSA-N	-2	1	323.308	2.336	20	50		DEGDML
N#Cc1ccc(NNC(=O)c2ccc(NC(=O)[O-])cc2[O-])cc1	ZINC000833977938	605763341	/nfs/dbraw/zinc/76/33/41/605763341.db2.gz	VTIXYCBATOFFME-UHFFFAOYSA-N	-2	1	312.285	2.111	20	50		DEGDML
O=C([O-])c1cccnc1NNC(=O)c1cc2ccccc2cc1[O-]	ZINC001594781616	953633925	/nfs/dbraw/zinc/63/39/25/953633925.db2.gz	QUEHDZKUIOVPKV-UHFFFAOYSA-N	-2	1	323.308	2.396	20	50		DEGDML
Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)[N-]NC(=O)[O-]	ZINC000738280218	978510954	/nfs/dbraw/zinc/51/09/54/978510954.db2.gz	CEOOEGAVURIYCJ-UHFFFAOYSA-N	-2	1	322.752	2.114	20	50		DEGDML
COc1ccc(NNC(=O)c2ccc(NC(=O)[O-])cc2[O-])cc1	ZINC000829483211	604219775	/nfs/dbraw/zinc/21/97/75/604219775.db2.gz	FHFYOEAUXPVKGR-UHFFFAOYSA-N	-2	1	317.301	2.248	20	50		DEGDML
O=C([O-])Nc1ccc(C(=O)NNc2ccc(Cl)nc2)c([O-])c1	ZINC000832839527	604032588	/nfs/dbraw/zinc/03/25/88/604032588.db2.gz	YSLCJLCNNXOXSR-UHFFFAOYSA-N	-2	1	322.708	2.287	20	50		DEGDML
O=C([O-])Nc1ccc(C(=O)NNc2ccccc2F)c([O-])c1	ZINC000834257828	605764032	/nfs/dbraw/zinc/76/40/32/605764032.db2.gz	PGPOCGNHNONZIY-UHFFFAOYSA-N	-2	1	305.265	2.378	20	50		DEGDML
O=C([O-])Nc1ccc(C(=O)NNc2cccnc2Cl)c([O-])c1	ZINC000832838120	604103539	/nfs/dbraw/zinc/10/35/39/604103539.db2.gz	DZGRHQGUQHUIDN-UHFFFAOYSA-N	-2	1	322.708	2.287	20	50		DEGDML
Cc1csc(C(=O)[N-]NC(=O)Nc2cccc(C(=O)[O-])c2)c1	ZINC001574412476	961299608	/nfs/dbraw/zinc/29/96/08/961299608.db2.gz	MKFKAKUBTZQGER-UHFFFAOYSA-N	-2	1	319.342	2.221	20	50		DEGDML
O=C([O-])Nc1ccc(C(=O)NNc2cc(Cl)ccn2)c([O-])c1	ZINC000834257900	605474995	/nfs/dbraw/zinc/47/49/95/605474995.db2.gz	RFQSHYQIONMAOA-UHFFFAOYSA-N	-2	1	322.708	2.287	20	50		DEGDML
O=C([O-])c1cc(C=NNC(=O)c2cc3ccccc3cc2[O-])c[nH]1	ZINC000814694526	978873801	/nfs/dbraw/zinc/87/38/01/978873801.db2.gz	OAHQHNSLHWYXEV-UHFFFAOYSA-N	-2	1	323.308	2.336	20	50		DEGDML