smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cnn(CC(=O)OC)c2)ccc1O	ZINC000790406774	1070471789	/nfs/dbraw/zinc/47/17/89/1070471789.db2.gz	HGCWCNGUKASYKO-UHFFFAOYSA-N	-1	2	404.426	-0.529	20	10		HBCDLM
CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2n[nH]c(C)c2C(=O)OC)ccc1O	ZINC000790408401	1070471718	/nfs/dbraw/zinc/47/17/18/1070471718.db2.gz	XXAJGILKOHOSRZ-UHFFFAOYSA-N	-1	2	404.426	-0.081	20	10		HBCDLM
O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCNC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889507	1071129140	/nfs/dbraw/zinc/12/91/40/1071129140.db2.gz	KTRLUGQYQJYNQF-HNNXBMFYSA-N	-1	2	412.406	-0.179	20	10		HBCDLM
O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCNC(=O)c1cc(=O)n(-c2ccccc2)[n-]1	ZINC001147889507	1071129138	/nfs/dbraw/zinc/12/91/38/1071129138.db2.gz	KTRLUGQYQJYNQF-HNNXBMFYSA-N	-1	2	412.406	-0.179	20	10		HBCDLM