smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C[C@@H]1C[C@]1(NC(=O)[C@H](c1ccccc1)n1c(C)c(Cl)nc([N-]C(=O)OC(C)(C)C)c1=O)C(=O)[N-]S(=O)(=O)C1CC1	ZINC000058583618	562700154	/nfs/dbraw/zinc/70/01/54/562700154.db2.gz	GDRIGOKZLLTQEC-QMALHXIISA-N	-2	2	606.101	3.651	1	30		KHEFLL
COc1cc(O)c2c(c1C(=O)NCc1cc(C(=O)[O-])cc3ccccc31)OC1=CC(=O)C(=C(C)[O-])C(=O)[C@@]21C	ZINC000073198099	562735571	/nfs/dbraw/zinc/73/55/71/562735571.db2.gz	DJSOVBMLIKJXNJ-GDLZYMKVSA-N	-2	2	529.501	3.700	1	30		KHEFLL
COc1cc(O)c2c(c1C(=O)NCc1cc(C(=O)[O-])cc3ccccc31)OC1=CC(=O)C(C(C)=O)=C([O-])[C@@]21C	ZINC000073198099	562735570	/nfs/dbraw/zinc/73/55/70/562735570.db2.gz	DJSOVBMLIKJXNJ-GDLZYMKVSA-N	-2	2	529.501	3.700	1	30		KHEFLL
COc1cc(O)c2c(c1C(=O)NCc1cc(C(=O)[O-])cc3ccccc31)OC1=CC([O-])=C(C(C)=O)C(=O)[C@@]21C	ZINC000073198099	562735569	/nfs/dbraw/zinc/73/55/69/562735569.db2.gz	DJSOVBMLIKJXNJ-GDLZYMKVSA-N	-2	2	529.501	3.700	1	30		KHEFLL
CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](NC(=O)C(F)(F)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	ZINC000095536530	562753916	/nfs/dbraw/zinc/75/39/16/562753916.db2.gz	OLDCNNJFIHRCLX-PIXAVGEUSA-N	-2	2	773.657	3.938	1	30		KHEFLL
CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](NC(=O)C(F)(F)C(F)(F)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	ZINC000169369008	562864654	/nfs/dbraw/zinc/86/46/54/562864654.db2.gz	YAYWGSTYEKWOPL-JROIKEAHSA-N	-2	2	823.664	3.733	1	30		KHEFLL