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)/C(=C/c2ccc(O)cc2)SC1=S	ZINC000072176245	191070532	/nfs/dbraw/zinc/07/05/32/191070532.db2.gz	QDTLZWKQGGAWMR-XFXZXTDPSA-N	0	3	308.428	2.155	1	10		DECFHN
N=C(N)NC(=N)Nc1ccc(Cl)cc1C(=O)c1ccccc1	ZINC000020459046	182220082	/nfs/dbraw/zinc/22/00/82/182220082.db2.gz	HAJLUVJLYDPZOH-UHFFFAOYSA-N	0	3	315.764	2.401	1	10		DECFHN
[NH3+]CCCCc1cc([O-])c2c(c1O)C(=O)c1ccccc1C2=O	ZINC000005939645	181298522	/nfs/dbraw/zinc/29/85/22/181298522.db2.gz	LNTVMYGYFWLQSS-UHFFFAOYSA-N	0	3	311.337	2.155	1	10		DECFHN