smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOCc1nc(NC)cc(=O)[n-]1	160107680	344158286	/nfs/dbraw/zinc/15/82/86/344158286.db2.gz	YGAMURNXYNPUID-UHFFFAOYSA-N	-1	1	183.211	0.760	10	70		ACIEMM
CCCc1c([O-])nc2n(c1=O)CCN2	159609704	344148965	/nfs/dbraw/zinc/14/89/65/344148965.db2.gz	KQEIUUIUNJMIMC-UHFFFAOYSA-N	-1	1	195.222	0.327	10	70		ACIEMM
Cc1c([O-])nc2n(c1=O)CCCN2	159611098	344149428	/nfs/dbraw/zinc/14/94/28/344149428.db2.gz	QCJMFLDZTOAXEP-UHFFFAOYSA-N	-1	1	181.195	0.073	10	70		ACIEMM
CCc1c([O-])nc2n(c1=O)CCCN2	159612740	344149555	/nfs/dbraw/zinc/14/95/55/344149555.db2.gz	ZRYDPKJYGCPSRG-UHFFFAOYSA-N	-1	1	195.222	0.327	10	70		ACIEMM
CNc1cc(=O)[n-]c(COC)n1	160107962	344158060	/nfs/dbraw/zinc/15/80/60/344158060.db2.gz	AMOYOUYWILATBH-UHFFFAOYSA-N	-1	1	169.184	0.370	10	70		ACIEMM
CCNc1cc(=O)[n-]c(COC)n1	160108125	344158152	/nfs/dbraw/zinc/15/81/52/344158152.db2.gz	QVLAGJCTKHZOBP-UHFFFAOYSA-N	-1	1	183.211	0.760	10	70		ACIEMM
O=c1cc([O-])nc(C[C@H]2CCOC2)[nH]1	160812325	344178424	/nfs/dbraw/zinc/17/84/24/344178424.db2.gz	RUJHCWCJOVYSRO-ZCFIWIBFSA-N	-1	1	196.206	0.055	10	70		ACIEMM
O=c1cc([O-])nc(C[C@@H]2CCOC2)[nH]1	160812199	344178543	/nfs/dbraw/zinc/17/85/43/344178543.db2.gz	RUJHCWCJOVYSRO-LURJTMIESA-N	-1	1	196.206	0.055	10	70		ACIEMM
Cc1[nH]c(=S)[n-]c(=O)c1F	217757960	371712376	/nfs/dbraw/zinc/71/23/76/371712376.db2.gz	FJAUHWHVMOTUCQ-UHFFFAOYSA-N	-1	1	160.173	0.880	10	70		ACIEMM