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(C)C1	ZINC000002122769	569152166	/nfs/dbraw/zinc/15/21/66/569152166.db2.gz	OJMMVQQUTAEWLP-YHGLQUMISA-N	0	1	406.545	-0.857	10	0		HBAEMN
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(C)C1	ZINC000011592626	558264328	/nfs/dbraw/zinc/26/43/28/558264328.db2.gz	OJMMVQQUTAEWLP-LSPDIVKYSA-N	0	1	406.545	-0.857	10	0	in-vitro	HBAEMN
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(C)C1	ZINC000011592627	558264242	/nfs/dbraw/zinc/26/42/42/558264242.db2.gz	OJMMVQQUTAEWLP-COLPQBOLSA-N	0	1	406.545	-0.857	10	0	in-vitro	HBAEMN
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(C)C1	ZINC000011592628	558264363	/nfs/dbraw/zinc/26/43/63/558264363.db2.gz	OJMMVQQUTAEWLP-REXYUVELSA-N	0	1	406.545	-0.857	10	0	in-vitro	HBAEMN
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(C)C1	ZINC000011592629	558264333	/nfs/dbraw/zinc/26/43/33/558264333.db2.gz	OJMMVQQUTAEWLP-OCHHPJKSSA-N	0	1	406.545	-0.857	10	0	in-vitro	HBAEMN
CO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(=O)C(F)(F)F	ZINC000032106951	569357813	/nfs/dbraw/zinc/35/78/13/569357813.db2.gz	RODRARKLKSOSPM-SYLRKERUSA-N	0	1	415.317	-0.169	10	0		HBAEMN
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(C)C1	ZINC000044963767	520879324	/nfs/dbraw/zinc/87/93/24/520879324.db2.gz	OJMMVQQUTAEWLP-BJSLNASVSA-N	0	1	406.545	-0.857	10	0	in-vitro	HBAEMN
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(C)C1	ZINC000044963769	521246181	/nfs/dbraw/zinc/24/61/81/521246181.db2.gz	OJMMVQQUTAEWLP-AEXIMLRKSA-N	0	1	406.545	-0.857	10	0	in-vitro	HBAEMN
CS(=O)(=O)N(CCC(=O)N1CCNCC1)CCN1CCN(c2ccccc2)CC1	ZINC000045945339	525153604	/nfs/dbraw/zinc/15/36/04/525153604.db2.gz	IZZWWKUKFOFGMZ-UHFFFAOYSA-N	0	1	423.583	-0.108	10	0		HBAEMN
CN1CCN(C[C@@H](O)Cn2c(-c3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)CC1	ZINC000048546313	569358662	/nfs/dbraw/zinc/35/86/62/569358662.db2.gz	QGIHZOHBVUVVLJ-MRXNPFEDSA-N	0	1	412.494	-0.291	10	0		HBAEMN
CN1CCN(C[C@H](O)Cn2c(-c3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)CC1	ZINC000048546316	569358642	/nfs/dbraw/zinc/35/86/42/569358642.db2.gz	QGIHZOHBVUVVLJ-INIZCTEOSA-N	0	1	412.494	-0.291	10	0		HBAEMN
NC(=O)[C@H](N)Cn1cnc(I)c1I	ZINC000307278193	568907552	/nfs/dbraw/zinc/90/75/52/568907552.db2.gz	TXWIAZUVTUOJHZ-GSVOUGTGSA-N	0	1	405.965	-0.095	10	0		HBAEMN
NC(=O)[C@@H](N)Cn1cnc(I)c1I	ZINC000307278194	558868663	/nfs/dbraw/zinc/86/86/63/558868663.db2.gz	TXWIAZUVTUOJHZ-VKHMYHEASA-N	0	1	405.965	-0.095	10	0		HBAEMN