smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc(C(=O)NCCOCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc21	ZINC000307761620	572145609	/nfs/dbraw/zinc/14/56/09/572145609.db2.gz	RCWINRSZXSZSDZ-VBQVRTRESA-N	-1	2	732.812	3.574	40	5		KHBBLM
COc1ccc(OC)c(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1	ZINC000408907804	1066605541	/nfs/dbraw/zinc/60/55/41/1066605541.db2.gz	SGJMJPJYHIAONR-UHFFFAOYSA-N	-1	2	507.546	3.522	40	5		KHBBLM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1	ZINC000408907804	1066605535	/nfs/dbraw/zinc/60/55/35/1066605535.db2.gz	SGJMJPJYHIAONR-UHFFFAOYSA-N	-1	2	507.546	3.522	40	5		KHBBLM
COc1cc(C(c2c([O-])n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	ZINC000409096920	1066263115	/nfs/dbraw/zinc/26/31/15/1066263115.db2.gz	FHNARYBZMMZKMN-UHFFFAOYSA-N	-1	2	648.119	3.961	40	5		KHBBLM
COc1cc(C(c2c([O-])n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409099565	1066722788	/nfs/dbraw/zinc/72/27/88/1066722788.db2.gz	OKFXXMNUNQYOGJ-UHFFFAOYSA-N	-1	2	648.119	3.961	40	5		KHBBLM