smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCC(=O)CC(=O)C1=Cc2cc(OC)c(O)cc2[C@@H](c2ccc(N)[nH+]c2)CC1	ZINC000085596498	291274768	/nfs/dbraw/zinc/27/47/68/291274768.db2.gz	KXCHKDHRXXQUAO-HXUWFJFHSA-N	1	2	422.525	4.796	1	30	biogenic,in-vitro	HJEFLO
Cn1c[nH+]cc1[C@@H](OCc1ccc(C#N)cc1C#CC(C)(C)C)c1ccc(C#N)cc1	ZINC000013554070	581099876	/nfs/dbraw/zinc/09/98/76/581099876.db2.gz	XXNOXIHVPUERGU-VWLOTQADSA-N	1	2	408.505	4.867	1	30		HJEFLO
CC[C@]1(c2cccc(Oc3cc(Cn4cc[nH+]c4)ccc3C#N)c2)CCCCNC1=O	ZINC000013523444	581094503	/nfs/dbraw/zinc/09/45/03/581094503.db2.gz	YIHOJJQZGPJKGV-RUZDIDTESA-N	1	2	414.509	4.543	1	30		HJEFLO
CC[C@@]1(c2cccc(Oc3cc(Cn4cc[nH+]c4)ccc3C#N)c2)CCCCNC1=O	ZINC000013523438	581094709	/nfs/dbraw/zinc/09/47/09/581094709.db2.gz	YIHOJJQZGPJKGV-VWLOTQADSA-N	1	2	414.509	4.543	1	30		HJEFLO
Cn1c[nH+]cc1[C@H](OCc1ccc(C#N)cc1C#CC(C)(C)C)c1ccc(C#N)cc1	ZINC000013554071	581100019	/nfs/dbraw/zinc/10/00/19/581100019.db2.gz	XXNOXIHVPUERGU-RUZDIDTESA-N	1	2	408.505	4.867	1	30		HJEFLO