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/C(=O)NC(=O)N(Cc3ccco3)C2=O)CC1	ZINC000026441440	182441349	/nfs/dbraw/zinc/44/13/49/182441349.db2.gz	RRMVLPYRJZIHQG-BENRWUELSA-N	1	1	318.333	-0.011	40	10		DBCBMO
CN1CCN(C[C@@H]2OC[C@H]([NH2+]Cc3ccccc3O)[C@H]2O)CC1	ZINC000514289436	257216211	/nfs/dbraw/zinc/21/62/11/257216211.db2.gz	UEPWZVGKXBJMAZ-BHYGNILZSA-N	1	1	321.421	-0.143	40	10	biogenic,in-vitro	DBCBMO
C[NH+]1CCN(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)CC1	ZINC000013546882	273892774	/nfs/dbraw/zinc/89/27/74/273892774.db2.gz	RRMVLPYRJZIHQG-ZRDIBKRKSA-N	1	1	318.333	-0.011	40	10		DBCBMO
CCOC(=O)CNC(=O)C([N+]#N)=C(O)COc1ccccc1	ZINC000004934720	181174974	/nfs/dbraw/zinc/17/49/74/181174974.db2.gz	HSZQPVSTXONKLV-UHFFFAOYSA-N	1	1	305.290	-0.015	40	10		DBCBMO