smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCN(C)CC2)cc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2	ZINC000049113058	563138445	/nfs/dbraw/zinc/13/84/45/563138445.db2.gz	SWTRIZHCIUWGAU-UHFFFAOYSA-N	0	1	448.531	1.579	10	10	in-man	IDCEMN
C[N@H+](CCC=C1c2ccccc2CCc2ccccc21)[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000077311996	563172897	/nfs/dbraw/zinc/17/28/97/563172897.db2.gz	QSLRRDSIIHRSEJ-OSFFKXSWSA-N	0	1	439.508	1.431	10	10	in-vitro	IDCEMN
C[N@@H+](CCC=C1c2ccccc2CCc2ccccc21)[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000077311996	563172899	/nfs/dbraw/zinc/17/28/99/563172899.db2.gz	QSLRRDSIIHRSEJ-OSFFKXSWSA-N	0	1	439.508	1.431	10	10	in-vitro	IDCEMN