smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(O)c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCC[C@H]31)O[C@@H]2C	ZINC000085594147	291241874	/nfs/dbraw/zinc/24/18/74/291241874.db2.gz	UQWXSKZMHVCTKX-DNMHFWELSA-N	-1	0	400.427	3.315	1	30	biogenic,in-vitro	HGEFRM
N#CCCN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)C4CCCC4)ccc3n2)CC1	ZINC000033010448	526460429	/nfs/dbraw/zinc/46/04/29/526460429.db2.gz	KHQBHLGLHFZRNV-UHFFFAOYSA-N	-1	0	421.501	3.097	1	30		HGEFRM
CN(C)c1ccc(-c2nc(N3CCN(c4ccccc4)CC3)[n-]c(=O)c2C#N)cc1	ZINC000003649571	132267729	/nfs/dbraw/zinc/26/77/29/132267729.db2.gz	RPIDKCPIZGLOSG-UHFFFAOYSA-N	-1	0	400.486	3.113	1	30		HGEFRM
COc1c([O-])c2c(O)cc(-c3ccc(O)cc3)oc-2c(Cc2c[nH]cc2CC=O)c1=O	ZINC000103533394	291237716	/nfs/dbraw/zinc/23/77/16/291237716.db2.gz	UOPFGSYVFFGUNY-UHFFFAOYSA-N	-1	0	420.397	3.032	1	30	biogenic,in-vitro	HGEFRM
CCCCCCCCCCCCCCCCO[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000040165216	571759274	/nfs/dbraw/zinc/75/92/74/571759274.db2.gz	QFUQXEVPTHAOHS-SXFAUFNYSA-N	-1	0	418.571	3.377	1	30	endogenous,in-man	HGEFRM
Cc1cc(O)c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(CCC[C@H]31)O[C@@H]2C	ZINC000085594146	291241878	/nfs/dbraw/zinc/24/18/78/291241878.db2.gz	UQWXSKZMHVCTKX-WFFNAJRZSA-N	-1	0	400.427	3.315	1	30	biogenic,in-vitro	HGEFRM