smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCn1c(=O)/c(=C\c2ccsc2)s/c1=C(/C#N)C(=O)NCC[NH+]1CCOCC1	ZINC000012684801	521613535	/nfs/dbraw/zinc/61/35/35/521613535.db2.gz	KBVJJFSGMLDABM-ZOUWJBNWSA-N	1	2	432.571	0.333	40	30		ICEBLO
Cc1ccc(NC2=N[C@@H]3[C@H](S2)[C@@H](C(=O)NCC[NH+]2CCOCC2)C[C@@H](O)[C@@H]3O)cc1	ZINC000020504127	525969752	/nfs/dbraw/zinc/96/97/52/525969752.db2.gz	HJSCEMHDBRGMGX-XCDZQEORSA-N	1	2	434.562	0.246	40	30	biogenic,in-vitro	ICEBLO
C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(C[NH+]3CCOCC3)cc2)cc1)C(=O)NO	ZINC000029049396	563072847	/nfs/dbraw/zinc/07/28/47/563072847.db2.gz	FQYBTYFKOHPWQT-VGSWGCGISA-N	1	2	437.496	0.903	40	30	in-vivo	ICEBLO
CCCn1c(=O)/c(=C/c2ccsc2)s/c1=C(/C#N)C(=O)NCC[NH+]1CCOCC1	ZINC000097993622	557002726	/nfs/dbraw/zinc/00/27/26/557002726.db2.gz	KBVJJFSGMLDABM-XXNLHLTISA-N	1	2	432.571	0.333	40	30		ICEBLO