smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C)C[C@H]13)[C@]2([C@H]([NH3+])C=O)[C@H]1CCC[C@H]([NH2+]C)C1	ZINC000085544924	290997773	/nfs/dbraw/zinc/99/77/73/290997773.db2.gz	RNVFUHUZTDLHGC-XATABDATSA-N	2	0	344.543	3.536	1	30	biogenic,in-vitro	EHEFRP
CCCCCCCCCCCC[N+]12CC[N+](CC[NH3+])(CC1)CC2	ZINC000073370090	717134400	/nfs/dbraw/zinc/13/44/00/717134400.db2.gz	JPXGYDGIZFCOAA-UHFFFAOYSA-N	3	0	325.585	3.527	1	30		EHEFRP
CCCCCCCCNC1=[NH+]C(C)(C)[NH+]=C(NCc2ccccc2)N1	ZINC000044431201	202522209	/nfs/dbraw/zinc/52/22/09/202522209.db2.gz	PPWRGRSKKNAWNK-UHFFFAOYSA-N	2	0	343.519	3.778	1	30		EHEFRP
CCCCCCCCN(Cc1ccccc1)C(=O)[C@@H]([NH3+])CCCC[NH3+]	ZINC000103256905	219276107	/nfs/dbraw/zinc/27/61/07/219276107.db2.gz	CDJSLPGFVFOYPW-FQEVSTJZSA-N	2	0	347.547	3.832	1	30		EHEFRP
CCCCCCCNC1=[NH+]C(C)(C)[NH+]=C(NCc2ccc(C)cc2)N1	ZINC000049867570	214033845	/nfs/dbraw/zinc/03/38/45/214033845.db2.gz	CCYOCCMLTUKKPI-UHFFFAOYSA-N	2	0	343.519	3.696	1	30		EHEFRP