smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(Nc2ccc(NCCC[N+](C)(C)C)c3c2C(=O)c2ccccc2C3=O)cc1	ZINC000005160645	717099122	/nfs/dbraw/zinc/09/91/22/717099122.db2.gz	BFNZVYWRXDMFFM-UHFFFAOYSA-O	1	0	428.556	5.022	10	10		IKCERO
Cc1ccc(C(=O)N(c2ccccc2)C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc1	ZINC000034682545	555816814	/nfs/dbraw/zinc/81/68/14/555816814.db2.gz	BGUYGEBLTCMUGH-UHFFFAOYSA-N	1	0	427.592	5.372	10	10		IKCERO
CCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000026662390	563035021	/nfs/dbraw/zinc/03/50/21/563035021.db2.gz	PGPNVVHFHOGGFM-UHFFFAOYSA-N	1	0	433.577	6.454	10	10		IKCERO
CC[n+]1c(/C=C/c2ccc(N3CCCC3)cc2)scc1-c1ccc(-c2ccccc2)cc1	ZINC000004214179	562942684	/nfs/dbraw/zinc/94/26/84/562942684.db2.gz	NNVAJWZEDBJMFG-UHFFFAOYSA-N	1	0	437.632	7.160	10	10	in-man	IKCERO
CCN(CC[N+](C)(C)C)c1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	ZINC000111421364	717148047	/nfs/dbraw/zinc/14/80/47/717148047.db2.gz	DAKGTANJAHPZSC-GHVJWSGMSA-N	1	0	425.340	5.850	10	10		IKCERO