smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCN1C(=O)c2cccc3cc4ccc(I)cc4c(c32)C1=O	ZINC000027557835	563043907	/nfs/dbraw/zinc/04/39/07/563043907.db2.gz	MLEXXHFNLOUINT-UHFFFAOYSA-N	1	0	444.272	3.755	10	5		IHBERO
Cc1c([N+](=O)[O-])cccc1N1CC[NH+](CCCCOc2ccc3c(c2)NC(=O)CC3)CC1	ZINC000027722069	563045885	/nfs/dbraw/zinc/04/58/85/563045885.db2.gz	JCRLCGLTKOZKFN-UHFFFAOYSA-N	1	0	438.528	3.769	10	5		IHBERO
C[C@@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@@H]([NH3+])[C@H]1O	ZINC000013368213	560214959	/nfs/dbraw/zinc/21/49/59/560214959.db2.gz	QNQXRLNOOGRQEB-FUJFFIKUSA-N	1	0	440.503	3.668	10	5	in-vitro	IHBERO
O=[N+]([O-])c1c2c(c(N3CC[NH2+]CC3)c([N+](=O)[O-])c1N1CCCCC1)Oc1ccccc1O2	ZINC000020533743	527323239	/nfs/dbraw/zinc/32/32/39/527323239.db2.gz	CWVYBNAFVPUXID-UHFFFAOYSA-N	1	0	441.444	3.801	10	5		IHBERO
COCCOc1ccc(-c2nc3cc4c(cc3[nH]2)n(O)c2ccccc2[n+]4=O)cc1OC	ZINC000048524500	569257972	/nfs/dbraw/zinc/25/79/72/569257972.db2.gz	YUJMMKHOVLZEFL-UHFFFAOYSA-N	1	0	433.444	3.523	10	5		IHBERO