smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](Cn1c2cc(C)c(C)cc2nc2c(=O)[nH]c(=O)nc1-2)OC(C)=O	ZINC000028818883	553843597	/nfs/dbraw/zinc/84/35/97/553843597.db2.gz	VKVDYPHLGLIXAG-SJBKTWHCSA-N	0	2	544.517	0.560	40	5		KCBBLN
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](Cn1c2cc(C)c(C)cc2nc2c(=O)[nH]c(=O)nc1-2)OC(C)=O	ZINC000028818887	553843542	/nfs/dbraw/zinc/84/35/42/553843542.db2.gz	VKVDYPHLGLIXAG-KCZVDYSFSA-N	0	2	544.517	0.560	40	5		KCBBLN
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](Cn1c2cc(C)c(C)cc2nc2c(=O)[nH]c(=O)nc1-2)OC(C)=O	ZINC000043569357	554298661	/nfs/dbraw/zinc/29/86/61/554298661.db2.gz	VKVDYPHLGLIXAG-VWPQPMDRSA-N	0	2	544.517	0.560	40	5		KCBBLN
CC(=O)OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](Cn1c2cc(C)c(C)cc2nc2c(=O)[nH]c(=O)nc1-2)OC(C)=O	ZINC000043569359	554298692	/nfs/dbraw/zinc/29/86/92/554298692.db2.gz	VKVDYPHLGLIXAG-TUNNFDKTSA-N	0	2	544.517	0.560	40	5		KCBBLN