smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([C@]2(CN(CC(=O)[O-])CC(=O)[O-])c3ccccc3OS2(=O)=O)c(C)c(CN(CC(=O)[O-])CC(=O)[O-])c1O	ZINC000100127586	554225102	/nfs/dbraw/zinc/22/51/02/554225102.db2.gz	WMGSOHFRJURSQR-VWLOTQADSA-N	-4	1	580.568	0.417	40	10		KCCBML
Cc1cc([C@@]2(CN(CC(=O)[O-])CC(=O)[O-])c3ccccc3OS2(=O)=O)c(C)c(CN(CC(=O)[O-])CC(=O)[O-])c1O	ZINC000100127591	554225020	/nfs/dbraw/zinc/22/50/20/554225020.db2.gz	WMGSOHFRJURSQR-RUZDIDTESA-N	-4	1	580.568	0.417	40	10		KCCBML
CCOC(=O)CN(/N=N/c1nonc1[N-]C[N-]c1nonc1/N=N/N(CC(=O)OCC)c1nonc1N)c1nonc1N	ZINC000100929571	554526168	/nfs/dbraw/zinc/52/61/68/554526168.db2.gz	PPEJNKGOJNPHPE-VDTYKYKFSA-N	-2	1	606.481	0.001	40	10		KCCBML