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(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CC[NH+](C2CC2)CC1	ZINC000001494141	561676470	/nfs/dbraw/zinc/67/64/70/561676470.db2.gz	NBRBWZJMBITNBC-UHFFFAOYSA-N	1	2	500.495	3.654	10	30		KHEELO
Oc1c(I)cc(/C=N/c2ccc(N3CC[NH2+]CC3)cc2)cc1I	ZINC000008398825	552999797	/nfs/dbraw/zinc/99/97/97/552999797.db2.gz	WJFBCONSAHYRGH-SRZZPIQSSA-N	1	2	533.151	3.762	10	30		KHEELO
CCN(CC)c1ccc([N+](=O)[O-])cc1C=[NH+]Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1	ZINC000020608684	553678114	/nfs/dbraw/zinc/67/81/14/553678114.db2.gz	XEPDTJURMVQOFY-XQNSMLJCSA-N	1	2	504.569	3.970	10	30		KHEELO
Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])CCCNC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)ccc12	ZINC000096307253	553749440	/nfs/dbraw/zinc/74/94/40/553749440.db2.gz	TUBIJMCTIUBMPU-SFHVURJKSA-N	1	2	531.610	3.757	10	30		KHEELO