smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@H]1C[C@H](C(=O)N[C@@H]([C@H](C)O)[C@@H]2O[C@@H](SC)[C@@H](O)[C@H](O)[C@@H]2O)[N@@H+](C)C1	ZINC000002122769	569152165	/nfs/dbraw/zinc/15/21/65/569152165.db2.gz	OJMMVQQUTAEWLP-YHGLQUMISA-N	1	1	406.545	-0.857	10	0		HBAEMO
CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@@H](C)O)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[N@@H+](C)C1	ZINC000011592626	558264326	/nfs/dbraw/zinc/26/43/26/558264326.db2.gz	OJMMVQQUTAEWLP-LSPDIVKYSA-N	1	1	406.545	-0.857	10	0	in-vitro	HBAEMO
CCC[C@H]1C[C@@H](C(=O)N[C@@H]([C@@H](C)O)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[N@@H+](C)C1	ZINC000011592627	558264239	/nfs/dbraw/zinc/26/42/39/558264239.db2.gz	OJMMVQQUTAEWLP-COLPQBOLSA-N	1	1	406.545	-0.857	10	0	in-vitro	HBAEMO
CCC[C@@H]1C[C@H](C(=O)N[C@@H]([C@@H](C)O)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[N@@H+](C)C1	ZINC000011592628	558264362	/nfs/dbraw/zinc/26/43/62/558264362.db2.gz	OJMMVQQUTAEWLP-REXYUVELSA-N	1	1	406.545	-0.857	10	0	in-vitro	HBAEMO
CCC[C@H]1C[C@H](C(=O)N[C@@H]([C@@H](C)O)[C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[N@@H+](C)C1	ZINC000011592629	558264331	/nfs/dbraw/zinc/26/43/31/558264331.db2.gz	OJMMVQQUTAEWLP-OCHHPJKSSA-N	1	1	406.545	-0.857	10	0	in-vitro	HBAEMO
CC(C)CNC(=O)c1coc(CN2CC[NH+](C[C@H](O)CN3CCOCC3)CC2)n1	ZINC000034677032	557364181	/nfs/dbraw/zinc/36/41/81/557364181.db2.gz	HYFWQISCKFNRQG-KRWDZBQOSA-N	1	1	409.531	-0.129	10	0		HBAEMO
CC(C)CNC(=O)c1coc(CN2CC[NH+](C[C@@H](O)CN3CCOCC3)CC2)n1	ZINC000034677033	557364116	/nfs/dbraw/zinc/36/41/16/557364116.db2.gz	HYFWQISCKFNRQG-QGZVFWFLSA-N	1	1	409.531	-0.129	10	0		HBAEMO
CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)[N@@H+](C)C1	ZINC000044963767	520879320	/nfs/dbraw/zinc/87/93/20/520879320.db2.gz	OJMMVQQUTAEWLP-BJSLNASVSA-N	1	1	406.545	-0.857	10	0	in-vitro	HBAEMO
CCC[C@H]1C[C@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@@H](O)[C@H](O)[C@H]2O)[N@@H+](C)C1	ZINC000044963769	521246172	/nfs/dbraw/zinc/24/61/72/521246172.db2.gz	OJMMVQQUTAEWLP-AEXIMLRKSA-N	1	1	406.545	-0.857	10	0	in-vitro	HBAEMO
Cn1c2nc(-c3ccccc3)n(C[C@H](O)CN3CC[NH+](C)CC3)c2c(=O)n(C)c1=O	ZINC000048546313	569358660	/nfs/dbraw/zinc/35/86/60/569358660.db2.gz	QGIHZOHBVUVVLJ-MRXNPFEDSA-N	1	1	412.494	-0.291	10	0		HBAEMO
Cn1c2nc(-c3ccccc3)n(C[C@@H](O)CN3CC[NH+](C)CC3)c2c(=O)n(C)c1=O	ZINC000048546316	569358640	/nfs/dbraw/zinc/35/86/40/569358640.db2.gz	QGIHZOHBVUVVLJ-INIZCTEOSA-N	1	1	412.494	-0.291	10	0		HBAEMO