smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCN(CCCCCCCCCCC#N)c1ccncc1	ZINC000005309098	181228493	/nfs/dbraw/zinc/22/84/93/181228493.db2.gz	SJGIMAFPEJVZEC-UHFFFAOYSA-N	0	3	315.505	5.723	10	30		DKEEHN
C=CCNCc1c(OCc2ccc(C)cc2)ccc2ccccc21	ZINC000020874202	518950697	/nfs/dbraw/zinc/95/06/97/518950697.db2.gz	RCOIOAZEJAHFHD-UHFFFAOYSA-N	0	3	317.432	5.003	10	30		DKEEHN
CCCCCCCOc1c(Cl)cc(Cl)cc1CNC	ZINC000059300121	184136917	/nfs/dbraw/zinc/13/69/17/184136917.db2.gz	GVPLIZZULWUFIW-UHFFFAOYSA-N	0	3	304.261	5.062	10	30		DKEEHN
N=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCCCC1	ZINC000062988622	184264849	/nfs/dbraw/zinc/26/48/49/184264849.db2.gz	NTJFNWMGYHSWNF-UHFFFAOYSA-N	0	3	305.636	5.216	10	30		DKEEHN
CCCCCCCCNCc1ccc(-c2ccccc2Cl)o1	ZINC000102556331	563559596	/nfs/dbraw/zinc/55/95/96/563559596.db2.gz	JGSMWNZSTPNTLX-UHFFFAOYSA-N	0	3	319.876	6.050	10	30		DKEEHN
CCCCCCCNCc1ccc(-c2ccccc2Cl)o1	ZINC000102556371	563559394	/nfs/dbraw/zinc/55/93/94/563559394.db2.gz	BNFMVMIZTIJHEI-UHFFFAOYSA-N	0	3	305.849	5.660	10	30		DKEEHN
CCCCCCCNCc1ccc(-c2ccc(C)c(Cl)c2)o1	ZINC000103959684	563561740	/nfs/dbraw/zinc/56/17/40/563561740.db2.gz	SAUAQLWOMJXSKE-UHFFFAOYSA-N	0	3	319.876	5.968	10	30		DKEEHN
CCCCCCCCNCc1cc(Cl)ccc1OCCC	ZINC000104466039	563564950	/nfs/dbraw/zinc/56/49/50/563564950.db2.gz	NYIHUCGGBMBAIH-UHFFFAOYSA-N	0	3	311.897	5.579	10	30		DKEEHN