smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cccc(C[N@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccccc3C[NH+]3CCOCC3)c4=O)C2)c1	ZINC000020503640	526705769	/nfs/dbraw/zinc/70/57/69/526705769.db2.gz	XJNFNGOOCHCSJO-AZGAKELHSA-N	2	2	480.612	3.838	40	30	biogenic,in-vitro	JHEBLP
N#Cc1cccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccccc3C[NH+]3CCOCC3)c4=O)C2)c1	ZINC000020503640	526705772	/nfs/dbraw/zinc/70/57/72/526705772.db2.gz	XJNFNGOOCHCSJO-AZGAKELHSA-N	2	2	480.612	3.838	40	30	biogenic,in-vitro	JHEBLP
COc1ccc2ncc(C#N)c(CC[NH+]3CCC([NH2+]Cc4cc5c(cn4)OCS5)CC3)c2c1	ZINC000058650072	563208570	/nfs/dbraw/zinc/20/85/70/563208570.db2.gz	NKXJSCXEAVZSMF-UHFFFAOYSA-N	2	2	461.591	3.749	40	30	in-vitro	JHEBLP
CNC(=[NH+]C)c1ccc(NC(=[NH+]C)c2ccc(C(Nc3ccc(C(NC)=[NH+]C)cc3)=[NH+]C)cc2)cc1	ZINC000096914695	569743762	/nfs/dbraw/zinc/74/37/62/569743762.db2.gz	DURPMPQUACRQDJ-UHFFFAOYSA-N	4	2	482.636	3.855	40	30		JHEBLP