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@H](C(=O)[O-])c1cccc(NCc2cccc(F)c2[O-])c1	ZINC001589540349	963995869	/nfs/dbraw/zinc/99/58/69/963995869.db2.gz	VAIBQOIFFIADSW-JTQLQIEISA-N	-2	3	289.306	3.332	20	10		CGCDHL
O=C([O-])c1cccc(NCc2c([O-])cccc2Cl)c1	ZINC000127248953	958609593	/nfs/dbraw/zinc/60/95/93/958609593.db2.gz	RSPFIQZIOLLDMI-UHFFFAOYSA-N	-2	3	277.707	3.356	20	10		CGCDHL
C[C@@H](C(=O)[O-])c1cccc(NCc2cccc(F)c2[O-])c1	ZINC001589540350	963996593	/nfs/dbraw/zinc/99/65/93/963996593.db2.gz	VAIBQOIFFIADSW-SNVBAGLBSA-N	-2	3	289.306	3.332	20	10		CGCDHL
Cc1cccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000085204642	625802276	/nfs/dbraw/zinc/80/22/76/625802276.db2.gz	ACBUKTGAORKGCB-UHFFFAOYSA-N	-2	3	297.763	3.155	20	10		CGCDHL
O=C([O-])Cc1cccc(NCc2c([O-])cccc2Cl)c1	ZINC000819579685	597138970	/nfs/dbraw/zinc/13/89/70/597138970.db2.gz	NNQQIGARZRHKRM-UHFFFAOYSA-N	-2	3	291.734	3.285	20	10		CGCDHL
O=C([O-])CCc1cccc(NCc2cccc(F)c2[O-])c1	ZINC001606215504	973463347	/nfs/dbraw/zinc/46/33/47/973463347.db2.gz	DUMSAVMHHPUNHX-UHFFFAOYSA-N	-2	3	289.306	3.161	20	10		CGCDHL
CCN(CC(=O)[O-])Cc1cc2oc3ccccc3c2cc1[O-]	ZINC000737076354	572857824	/nfs/dbraw/zinc/85/78/24/572857824.db2.gz	YIUNZFUYOZZRIL-UHFFFAOYSA-N	-2	3	299.326	3.198	20	10		CGCDHL
Cc1ccc(NC(=O)[O-])cc1NC(=O)c1cc([O-])cs1	ZINC000833906697	606014352	/nfs/dbraw/zinc/01/43/52/606014352.db2.gz	XRUFXMYARPCYME-UHFFFAOYSA-N	-2	3	292.316	3.104	20	10		CGCDHL
O=C([O-])c1cc(NCc2cccc(F)c2[O-])ccc1Cl	ZINC000165002178	959268762	/nfs/dbraw/zinc/26/87/62/959268762.db2.gz	KLIVHZJPRSEMBQ-UHFFFAOYSA-N	-2	3	295.697	3.495	20	10		CGCDHL
O=C([O-])c1cccc(NCc2cc(Cl)ccc2[O-])c1	ZINC000037308021	173111360	/nfs/dbraw/zinc/11/13/60/173111360.db2.gz	CVOTXDCOHUXIJY-UHFFFAOYSA-N	-2	3	277.707	3.356	20	10		CGCDHL