smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1ccc2c(c1[O-])[C@H](c1cccc(Oc3ncccn3)c1)CC(=O)O2	ZINC000218164695	570326903	/nfs/dbraw/zinc/32/69/03/570326903.db2.gz	NFLIRBJNZKUYCX-INIZCTEOSA-N	-1	3	376.368	3.618	50	70		GHIAHM
Cc1nc2sc([C@@H](c3cccc(OC(F)F)c3)N3CCCCC3)c([O-])n2n1	ZINC000218492811	208836980	/nfs/dbraw/zinc/83/69/80/208836980.db2.gz	DMINFUAFIXPXTQ-CQSZACIVSA-N	-1	3	394.447	3.982	50	70		GHIAHM
COc1ccc(NC(C)=O)cc1NC(=O)c1c[n-]c2cc(Cl)ccc2c1=O	ZINC000218373341	570332805	/nfs/dbraw/zinc/33/28/05/570332805.db2.gz	IWOHUHQMSWWVCV-UHFFFAOYSA-N	-1	3	385.807	3.813	50	70		GHIAHM
COc1ccc(NC(C)=O)cc1NC(=O)c1cnc2cc(Cl)ccc2c1[O-]	ZINC000218373341	570332807	/nfs/dbraw/zinc/33/28/07/570332807.db2.gz	IWOHUHQMSWWVCV-UHFFFAOYSA-N	-1	3	385.807	3.813	50	70		GHIAHM
[O-]c1c([C@@H](c2cccc(OC(F)F)c2)N2CCCCC2)sc2ncnn12	ZINC000218548699	570336731	/nfs/dbraw/zinc/33/67/31/570336731.db2.gz	KANPBVYJQGTGRQ-CYBMUJFWSA-N	-1	3	380.420	3.673	50	70		GHIAHM
O=C(c1c[n-]c2ccccc2c1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1	ZINC000218319512	570331217	/nfs/dbraw/zinc/33/12/17/570331217.db2.gz	ISYSILFOFXSWDR-UHFFFAOYSA-N	-1	3	382.847	3.718	50	70		GHIAHM
Cn1c(CCCNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)nc2ccccc21	ZINC000218451605	570334612	/nfs/dbraw/zinc/33/46/12/570334612.db2.gz	GZSKKQQUHKFNQX-UHFFFAOYSA-N	-1	3	394.862	3.843	50	70		GHIAHM
CC(C)CCn1cnc2ccc(NC(=O)c3cc(-c4ccco4)[n-]n3)cc2c1=O	ZINC000218434545	527886263	/nfs/dbraw/zinc/88/62/63/527886263.db2.gz	WIOBREOQZZVZHE-UHFFFAOYSA-N	-1	3	391.431	3.678	50	70		GHIAHM
CC(C)CCn1cnc2ccc(NC(=O)c3cc(-c4ccco4)n[n-]3)cc2c1=O	ZINC000218434545	527886274	/nfs/dbraw/zinc/88/62/74/527886274.db2.gz	WIOBREOQZZVZHE-UHFFFAOYSA-N	-1	3	391.431	3.678	50	70		GHIAHM
[O-]c1c([C@H](c2cccc(OC(F)F)c2)N2CCCCC2)sc2ncnn12	ZINC000218548651	570336803	/nfs/dbraw/zinc/33/68/03/570336803.db2.gz	KANPBVYJQGTGRQ-ZDUSSCGKSA-N	-1	3	380.420	3.673	50	70		GHIAHM
CC(=O)c1ccc2c(c1[O-])[C@@H](c1cccc(Oc3ncccn3)c1)CC(=O)O2	ZINC000218164755	570326914	/nfs/dbraw/zinc/32/69/14/570326914.db2.gz	NFLIRBJNZKUYCX-MRXNPFEDSA-N	-1	3	376.368	3.618	50	70		GHIAHM