smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C2(c3cc(C)c(O)c(C[NH+](CC(=O)[O-])CC(=O)[O-])c3)OC(=O)c3ccccc32)cc(C[NH+](CC(=O)[O-])CC(=O)[O-])c1O	ZINC000004261832	552454107	/nfs/dbraw/zinc/45/41/07/552454107.db2.gz	IYZPEGVSBUNMBE-UHFFFAOYSA-N	-2	2	636.610	2.119	50	10		KECALL
[NH2+]=C1N=C(Cl)N[C@@H](Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(NN=C4C=C(S(=O)(=O)[O-])c5cccc(S(=O)(=O)[O-])c5C4=O)c(O)c32)N1	ZINC000514250862	1066361550	/nfs/dbraw/zinc/36/15/50/1066361550.db2.gz	SVBDPXJANITCHA-NOGPVDPTSA-N	-3	2	780.153	2.224	50	10		KECALL
[NH2+]=C1N=C(Cl)N[C@H](Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(NN=C4C=C(S(=O)(=O)[O-])c5cccc(S(=O)(=O)[O-])c5C4=O)c(O)c32)N1	ZINC000514250863	1066361650	/nfs/dbraw/zinc/36/16/50/1066361650.db2.gz	SVBDPXJANITCHA-SZKYFQMISA-N	-3	2	780.153	2.224	50	10		KECALL