smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=NC(=NNc2cc3c(cc([N+](=O)[O-])cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C(COP(=O)([O-])[O-])=C(C=O)C1=O	ZINC000003995901	552425501	/nfs/dbraw/zinc/42/55/01/552425501.db2.gz	CMVLDSZYDWJTCG-QZQOTICOSA-N	-4	0	606.440	2.488	10	10	in-vitro	KECERL
CC(=O)Nc1cc2c(cc1S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c(N=Nc1ccc(S(N)(=O)=O)cc1)c2O	ZINC000028863804	561972469	/nfs/dbraw/zinc/97/24/69/561972469.db2.gz	RALNLQYPLYWQRT-QURGRASLSA-N	-2	0	544.545	2.060	10	10	in-vivo	KECERL
CC(=O)Nc1cc(S(=O)(=O)[O-])cc2c1C(=O)C(=NNc1cccc(P(=O)([O-])[O-])c1)C(S(=O)(=O)[O-])=C2	ZINC000100048727	554194108	/nfs/dbraw/zinc/19/41/08/554194108.db2.gz	RXJPLRCBOFBATC-QZQOTICOSA-N	-4	0	545.444	2.216	10	10		KECERL
CC1=NC(=NNc2cc3c(cc([N+](=O)[O-])cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C(COP(=O)([O-])[O-])=C(C=O)C1=O	ZINC000252666844	572273490	/nfs/dbraw/zinc/27/34/90/572273490.db2.gz	CMVLDSZYDWJTCG-UHFFFAOYSA-N	-4	0	606.440	2.488	10	10		KECERL