smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O	ZINC000005208369	560538662	/nfs/dbraw/zinc/53/86/62/560538662.db2.gz	IBZGBXXTIGCACK-CWKPULSASA-N	-1	3	414.366	0.154	40	10	in-man	HCCBHM
[O-]c1c(CN2CCN(CCO)CC2)cc(Cl)cc1CN1CCN(CCO)CC1	ZINC000019365171	558876837	/nfs/dbraw/zinc/87/68/37/558876837.db2.gz	RMJXZJOIRBELFC-UHFFFAOYSA-N	-1	3	412.962	0.265	40	10		HCCBHM
Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc([O-])c1C2=O	ZINC000031425373	291181743	/nfs/dbraw/zinc/18/17/43/291181743.db2.gz	DTTVUKLWJFJOHO-CQYCCUBQSA-N	-1	3	416.382	0.388	40	10	biogenic,in-vitro	HCCBHM
[O-]c1c(CN2CCOCC2)cc(CN2CCOCC2)c(O)c1CN1CCOCC1	ZINC000031624105	558751346	/nfs/dbraw/zinc/75/13/46/558751346.db2.gz	MNKGHMTYKRGTBW-UHFFFAOYSA-N	-1	3	407.511	0.594	40	10		HCCBHM
[O-]c1c(CN2CCOCC2)cc(O)c(CN2CCOCC2)c1CN1CCOCC1	ZINC000031924776	526332536	/nfs/dbraw/zinc/33/25/36/526332536.db2.gz	XMPGJPGKKFHMHT-UHFFFAOYSA-N	-1	3	407.511	0.594	40	10		HCCBHM
Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@H]3OC[C@](O)(CO)[C@H]3O)cc([O-])c1C2=O	ZINC000079669766	559017883	/nfs/dbraw/zinc/01/78/83/559017883.db2.gz	AEQMIFRODRFTJF-XUVXKRRUSA-N	-1	3	402.355	0.001	40	10		HCCBHM
CN1C(=O)C(=CC2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)C(=O)N(C)C1=S	ZINC000103855843	560734815	/nfs/dbraw/zinc/73/48/15/560734815.db2.gz	DVLNWJJKUHKMAP-SNVBAGLBSA-N	-1	3	402.457	0.192	40	10		HCCBHM
CN1C(=O)C(=CC2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)C(=O)N(C)C1=S	ZINC000103855847	560734782	/nfs/dbraw/zinc/73/47/82/560734782.db2.gz	DVLNWJJKUHKMAP-JTQLQIEISA-N	-1	3	402.457	0.192	40	10		HCCBHM
Cc1cc(=O)n2[n-]cc(C(=O)N3CCC[C@@](O)(CN4CCN(C)CC4)CC3)c2n1	ZINC000257202979	568776873	/nfs/dbraw/zinc/77/68/73/568776873.db2.gz	AODPPFBZTQFPBL-FQEVSTJZSA-N	-1	3	402.499	0.348	40	10		HCCBHM
Cc1cc(=O)n2[n-]cc(C(=O)N3CCC[C@](O)(CN4CCN(C)CC4)CC3)c2n1	ZINC000257202980	568777024	/nfs/dbraw/zinc/77/70/24/568777024.db2.gz	AODPPFBZTQFPBL-HXUWFJFHSA-N	-1	3	402.499	0.348	40	10		HCCBHM