smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CC[C@@H]2[C@]3(C)O[C@]4(C)CC[C@]12C[C@@H]4[C@@H]3[NH2+]CCCC[N@@H+](C)CCC[NH+](C)C	ZINC000003806412	560189687	/nfs/dbraw/zinc/18/96/87/560189687.db2.gz	JIRJLWLQLDLWSW-XNDBBLGPSA-N	3	1	405.671	4.002	1	0	in-vitro	HIAFMP
C[C@@H]1CC[C@@H]2[C@]3(C)O[C@]4(C)CC[C@]12C[C@@H]4[C@@H]3[NH2+]CCCC[N@H+](C)CCCN(C)C	ZINC000003806412	560189689	/nfs/dbraw/zinc/18/96/89/560189689.db2.gz	JIRJLWLQLDLWSW-XNDBBLGPSA-N	2	1	405.671	4.002	1	0	in-vitro	HIAFMP
C[C@@H]1CC[C@@H]2[C@]3(C)O[C@]4(C)CC[C@]12C[C@@H]4[C@@H]3[NH2+]CCCC[N@@H+](C)CCCN(C)C	ZINC000003806412	560189691	/nfs/dbraw/zinc/18/96/91/560189691.db2.gz	JIRJLWLQLDLWSW-XNDBBLGPSA-N	2	1	405.671	4.002	1	0	in-vitro	HIAFMP