smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+](CCO)CCCn1c2c(n[n+]1[O-])C(=O)c1ccccc1C2=O	ZINC000066088748	376228279	/nfs/dbraw/zinc/22/82/79/376228279.db2.gz	QTJAGFWDTWNZTJ-UHFFFAOYSA-N	1	1	330.344	-0.394	40	10		EBCBMO
C[N@@H+](CCO)CCCn1c2c(n[n+]1[O-])C(=O)c1ccccc1C2=O	ZINC000408710516	375915726	/nfs/dbraw/zinc/91/57/26/375915726.db2.gz	QTJAGFWDTWNZTJ-UHFFFAOYSA-O	1	1	331.352	-0.180	40	10		EBCBMO
Cc1cc(C[NH+](CCO)CCO)c([O-])c(C[NH+](CCO)CCO)c1	ZINC000001700095	375876410	/nfs/dbraw/zinc/87/64/10/375876410.db2.gz	LQQPEYLPMQJEDN-UHFFFAOYSA-N	1	1	342.436	-0.726	40	10		EBCBMO
CCOC(=O)CNC(=O)C([N+]#N)=C(O)COc1ccccc1OC	ZINC000004934726	210328528	/nfs/dbraw/zinc/32/85/28/210328528.db2.gz	WOEDTGGRZBKTSH-UHFFFAOYSA-N	1	1	335.316	-0.007	40	10		EBCBMO