smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(c2nc(-c3ccc(Br)o3)c(C#N)c(=O)[nH]2)CC1	ZINC000223968830	672413604	/nfs/dbraw/zinc/41/36/04/672413604.db2.gz	AXIDSMKYQFRNCA-UHFFFAOYSA-N	-1	2	364.203	1.416	10	30		FDEELM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc2c(=O)[nH][nH]c(=O)c12	ZINC000105571491	206240892	/nfs/dbraw/zinc/24/08/92/206240892.db2.gz	YHLJEUKQNRTOIJ-HMMYKYKNSA-N	-1	2	362.349	1.407	10	30		FDEELM
[O-]/N=C(\CN(O)C/C(=N/O)c1ccc(O)cc1O)c1ccc(O)cc1O	ZINC000094993457	209019078	/nfs/dbraw/zinc/01/90/78/209019078.db2.gz	VCFMYJSXXOCRSD-SIJTWYJSSA-N	-1	2	363.326	1.257	10	30		FDEELM
[O-]/N=C(/CN(O)C/C(=N\O)c1ccc(O)cc1O)c1ccc(O)cc1O	ZINC000094993457	209019081	/nfs/dbraw/zinc/01/90/81/209019081.db2.gz	VCFMYJSXXOCRSD-SIJTWYJSSA-N	-1	2	363.326	1.257	10	30		FDEELM
C[S@+](CCCCc1ccccc1)CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000028862404	519253520	/nfs/dbraw/zinc/25/35/20/519253520.db2.gz	AHAAXNKKMANTQS-QFIPXVFZSA-O	-1	2	369.336	1.939	10	30		FDEELM
C[S@+](CCCCc1ccccc1)CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000028862404	519253531	/nfs/dbraw/zinc/25/35/31/519253531.db2.gz	AHAAXNKKMANTQS-QFIPXVFZSA-O	-1	2	369.336	1.939	10	30		FDEELM
C[S@@+](CCCCc1ccccc1)CC(P(=O)([O-])O)[P@@](=O)([O-])O	ZINC000028862402	519253394	/nfs/dbraw/zinc/25/33/94/519253394.db2.gz	AHAAXNKKMANTQS-JOCHJYFZSA-O	-1	2	369.336	1.939	10	30		FDEELM
C[S@@+](CCCCc1ccccc1)CC(P(=O)([O-])O)[P@](=O)([O-])O	ZINC000028862402	519253411	/nfs/dbraw/zinc/25/34/11/519253411.db2.gz	AHAAXNKKMANTQS-JOCHJYFZSA-O	-1	2	369.336	1.939	10	30		FDEELM