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(C)=O)C[C@@H]3O[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)[C@H](O)[C@H](C)O1	ZINC000028570684	553842804	/nfs/dbraw/zinc/84/28/04/553842804.db2.gz	VOASREXNXKOKBP-HWJSKKJZSA-N	-1	0	623.533	1.749	10	10	in-vitro	KDCERM
COc1cc(/C=C/C(=O)O[C@@H]2[C@H](O)C[C@@](O)(C(=O)[O-])C[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)cc(OC)c1O	ZINC000072319909	291713188	/nfs/dbraw/zinc/71/31/88/291713188.db2.gz	BEDSGEULUAVXQH-YGCGHWCOSA-N	-1	0	560.508	1.341	10	10	biogenic,in-vitro	KDCERM
Cc1cc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc(S(=O)(=O)NCCO)c1C	ZINC000097950096	553803489	/nfs/dbraw/zinc/80/34/89/553803489.db2.gz	SEXIHYPFEOARHF-UHFFFAOYSA-N	-1	0	545.595	1.922	10	10		KDCERM