smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CN2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)c(O)c1	ZINC000035425803	291239793	/nfs/dbraw/zinc/23/97/93/291239793.db2.gz	CUMVEEYFBBLEBG-SFHVURJKSA-N	2	1	418.457	3.369	40	10	biogenic,in-vitro	HGCBMP
COc1cc2[nH+]c3cc([N+](=O)[O-])ccc3c(NCC[NH2+]CC(C)(C)O)c2cc1OC	ZINC000004748027	557592306	/nfs/dbraw/zinc/59/23/06/557592306.db2.gz	YRXHESBZDFBTMV-UHFFFAOYSA-N	2	1	414.462	3.086	40	10		HGCBMP
Cc1cc(N2CCOCC2)ccc1C[NH+]1CCC(O)(Cn2cc[nH+]c2C(C)C)CC1	ZINC000019570632	558929386	/nfs/dbraw/zinc/92/93/86/558929386.db2.gz	PUGYYLLIUQNPPS-UHFFFAOYSA-N	2	1	412.578	3.179	40	10		HGCBMP
C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)cc2)CC1	ZINC000222602641	568520109	/nfs/dbraw/zinc/52/01/09/568520109.db2.gz	FZNGAKOYPSCHND-QFIPXVFZSA-N	2	1	424.564	3.106	40	10		HGCBMP
C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[N@@H+](Cc4ccc(F)cc4)C3)cc2)CC1	ZINC000222602587	568520135	/nfs/dbraw/zinc/52/01/35/568520135.db2.gz	FZNGAKOYPSCHND-JOCHJYFZSA-N	2	1	424.564	3.106	40	10		HGCBMP