smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCN(/C=C2\N=C3CN=C(c4ccccc4Cl)c4cc([N+](=O)[O-])ccc4N3C2=O)CC1	ZINC000022010289	555861607	/nfs/dbraw/zinc/86/16/07/555861607.db2.gz	UTEFBSAVJNEPTR-RGEXLXHISA-N	1	0	464.913	2.933	10	5	in-man	JFBERO
CCCCC[N+]1(CCCOC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)CCOCC1	ZINC000039715233	717127115	/nfs/dbraw/zinc/12/71/15/717127115.db2.gz	MQLLZLHGROIBQZ-CDJZJNNCSA-N	1	0	458.616	2.827	10	5		JFBERO
COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[N@H+](C)[C@@H]1C2	ZINC000028949859	563086867	/nfs/dbraw/zinc/08/68/67/563086867.db2.gz	INULNSAIIZKOQE-YOSAUDMPSA-N	1	0	464.566	2.987	10	5	in-vitro	JFBERO
CC(C)CC[N+]1(CCCOC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]32)CCOCC1	ZINC000039715232	717127461	/nfs/dbraw/zinc/12/74/61/717127461.db2.gz	QDACIGRFLNTHPI-CDJZJNNCSA-N	1	0	458.616	2.683	10	5		JFBERO