smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCN1C(=O)c2cccc3cc4ccc(I)cc4c(c32)C1=O	ZINC000027557835	563043908	/nfs/dbraw/zinc/04/39/08/563043908.db2.gz	MLEXXHFNLOUINT-UHFFFAOYSA-N	0	3	444.272	3.755	10	5		IHBEHN
Cc1c([N+](=O)[O-])cccc1N1CCN(CCCCOc2ccc3c(c2)NC(=O)CC3)CC1	ZINC000027722069	563045887	/nfs/dbraw/zinc/04/58/87/563045887.db2.gz	JCRLCGLTKOZKFN-UHFFFAOYSA-N	0	3	438.528	3.769	10	5		IHBEHN
O=[N+]([O-])c1c2c(c(N3CCNCC3)c([N+](=O)[O-])c1N1CCCCC1)Oc1ccccc1O2	ZINC000020533743	527323244	/nfs/dbraw/zinc/32/32/44/527323244.db2.gz	CWVYBNAFVPUXID-UHFFFAOYSA-N	0	3	441.444	3.801	10	5		IHBEHN