smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)cc(Cl)c1[O-]	ZINC000263425849	553187437	/nfs/dbraw/zinc/18/74/37/553187437.db2.gz	MEZGLWOWBUFPHW-RKDXNWHRSA-N	-2	1	381.734	2.779	10	0		GFAEML
O=C([O-])[C@H](CCc1cc(=O)oc2cc([O-])ccc12)NC(=O)OCc1ccccc1	ZINC000095642934	222360065	/nfs/dbraw/zinc/36/00/65/222360065.db2.gz	YCDARUCKHFQEQA-KRWDZBQOSA-N	-2	1	397.383	2.811	10	0		GFAEML
CC1CCN(c2ncc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C(=O)[O-])CC1	ZINC000035397323	570348634	/nfs/dbraw/zinc/34/86/34/570348634.db2.gz	OFXUMVNNJGOGPS-UHFFFAOYSA-N	-2	1	393.440	2.956	10	0		GFAEML
O=C([O-])c1ccc(NC(=O)c2ccc(C=C3SC(=O)[N-]C3=O)cc2)cc1O	ZINC000033539778	570371755	/nfs/dbraw/zinc/37/17/55/570371755.db2.gz	XONBQIKSDBEJAD-VGOFMYFVSA-N	-2	1	384.369	2.667	10	0		GFAEML
Cc1cc(C)cc(S(=O)(=O)[N-]c2cnc(N3CCCC3)c(C(=O)[O-])c2)c1	ZINC000035397466	570349044	/nfs/dbraw/zinc/34/90/44/570349044.db2.gz	DXGPNIAAAAJJGM-UHFFFAOYSA-N	-2	1	375.450	2.798	10	0		GFAEML
CCCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC)C(=O)[O-]	ZINC000263542747	655452458	/nfs/dbraw/zinc/45/24/58/655452458.db2.gz	DXVPXSFCFMCXOO-LLVKDONJSA-N	-2	1	398.264	2.702	10	0		GFAEML
Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCOCC2)c(C)c1	ZINC000032971215	570554149	/nfs/dbraw/zinc/55/41/49/570554149.db2.gz	PYYQOERLCOOXMG-UHFFFAOYSA-N	-2	1	390.461	2.639	10	0		GFAEML
COc1cc([O-])c(Cc2c(O)cc(OC)c(C(C)=O)c2O)c([O-])c1C(C)=O	ZINC000013377740	221268193	/nfs/dbraw/zinc/26/81/93/221268193.db2.gz	SLIVGKVXFMMUFR-UHFFFAOYSA-N	-2	1	376.361	2.522	10	0	biogenic,in-vitro	GFAEML
CN(C)c1ncc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1C(=O)[O-]	ZINC000064843447	222084778	/nfs/dbraw/zinc/08/47/78/222084778.db2.gz	SYDNYORLSBWXPC-UHFFFAOYSA-N	-2	1	377.466	2.944	10	0		GFAEML
CCc1ccc(S(=O)(=O)[N-]c2cnc(N3CCCC3)c(C(=O)[O-])c2)cc1	ZINC000035397461	570349037	/nfs/dbraw/zinc/34/90/37/570349037.db2.gz	VAIVKZAKAAKEMR-UHFFFAOYSA-N	-2	1	375.450	2.743	10	0		GFAEML