smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(N[C@@H]1CCC[C@@H]1OC(=O)c1cc([O-])c(C(=O)c2c([O-])cccc2[N-]S(=O)(=O)C(F)(F)F)c([O-])c1)c1ccc([O-])cc1	ZINC000026579425	561804613	/nfs/dbraw/zinc/80/46/13/561804613.db2.gz	DCDVPUXSYIJFEH-IERDGZPVSA-N	-5	3	624.546	3.509	1	10		KHCFHL
O=C(N[C@@H]1CCC[C@@H]1OC(=O)c1cc([O-])c(C(=O)c2c([O-])cccc2[N-]S(=O)(=O)C(F)(F)F)c([O-])c1)c1ccc(O)cc1	ZINC000026579425	561804611	/nfs/dbraw/zinc/80/46/11/561804611.db2.gz	DCDVPUXSYIJFEH-IERDGZPVSA-N	-4	3	624.546	3.509	1	10		KHCFHL
O=C(N[C@H]1CCC[C@@H]1OC(=O)c1cc([O-])c(C(=O)c2c([O-])cccc2[N-]S(=O)(=O)C(F)(F)F)c([O-])c1)c1ccc([O-])cc1	ZINC000026579426	561804663	/nfs/dbraw/zinc/80/46/63/561804663.db2.gz	DCDVPUXSYIJFEH-KKSFZXQISA-N	-5	3	624.546	3.509	1	10		KHCFHL
O=C(N[C@H]1CCC[C@@H]1OC(=O)c1cc([O-])c(C(=O)c2c([O-])cccc2[N-]S(=O)(=O)C(F)(F)F)c([O-])c1)c1ccc(O)cc1	ZINC000026579426	561804661	/nfs/dbraw/zinc/80/46/61/561804661.db2.gz	DCDVPUXSYIJFEH-KKSFZXQISA-N	-4	3	624.546	3.509	1	10		KHCFHL
O=C(N[C@@H]1CCC[C@H]1OC(=O)c1cc([O-])c(C(=O)c2c([O-])cccc2[N-]S(=O)(=O)C(F)(F)F)c([O-])c1)c1ccc([O-])cc1	ZINC000026579427	561804652	/nfs/dbraw/zinc/80/46/52/561804652.db2.gz	DCDVPUXSYIJFEH-IIBYNOLFSA-N	-5	3	624.546	3.509	1	10		KHCFHL
O=C(N[C@@H]1CCC[C@H]1OC(=O)c1cc([O-])c(C(=O)c2c([O-])cccc2[N-]S(=O)(=O)C(F)(F)F)c([O-])c1)c1ccc(O)cc1	ZINC000026579427	561804650	/nfs/dbraw/zinc/80/46/50/561804650.db2.gz	DCDVPUXSYIJFEH-IIBYNOLFSA-N	-4	3	624.546	3.509	1	10		KHCFHL
O=C(N[C@H]1CCC[C@H]1OC(=O)c1cc([O-])c(C(=O)c2c([O-])cccc2[N-]S(=O)(=O)C(F)(F)F)c([O-])c1)c1ccc([O-])cc1	ZINC000026579428	561804697	/nfs/dbraw/zinc/80/46/97/561804697.db2.gz	DCDVPUXSYIJFEH-HRAATJIYSA-N	-5	3	624.546	3.509	1	10		KHCFHL
O=C(N[C@H]1CCC[C@H]1OC(=O)c1cc([O-])c(C(=O)c2c([O-])cccc2[N-]S(=O)(=O)C(F)(F)F)c([O-])c1)c1ccc(O)cc1	ZINC000026579428	561804696	/nfs/dbraw/zinc/80/46/96/561804696.db2.gz	DCDVPUXSYIJFEH-HRAATJIYSA-N	-4	3	624.546	3.509	1	10		KHCFHL
CCCCCSCC(=O)[C@]1(O)Cc2c(O)c3c(c([O-])c2[C@@H](O[C@@H]2C[C@H]([N-]C(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	ZINC000029306799	562011661	/nfs/dbraw/zinc/01/16/61/562011661.db2.gz	UKSIKDLLCUABFT-LMJMQECFSA-N	-2	3	725.735	3.652	1	10		KHCFHL
C[C@H](N[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N(CC(=O)[O-])Cc1cc(C(C)(C)C)cc(I)c1[O-]	ZINC000029390774	562017328	/nfs/dbraw/zinc/01/73/28/562017328.db2.gz	KGHWLONCYUEIGE-KKSFZXQISA-N	-3	3	596.462	3.772	1	10		KHCFHL
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC000043066922	562645396	/nfs/dbraw/zinc/64/53/96/562645396.db2.gz	GREDBCKFHYLAPT-IBGZPJMESA-N	-2	3	501.488	3.737	1	10		KHCFHL
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC000043066925	562645392	/nfs/dbraw/zinc/64/53/92/562645392.db2.gz	GREDBCKFHYLAPT-LJQANCHMSA-N	-2	3	501.488	3.737	1	10		KHCFHL
Cc1cc(O)c2cc3c(c([O-])c2c1)C(=O)c1ccc([C@H]2C[C@@H](O[C@@H]4CC[C@@H](O)[C@@H](C)O4)[C@H](O)[C@@H](C)O2)c([O-])c1C3=O	ZINC000044281609	562653180	/nfs/dbraw/zinc/65/31/80/562653180.db2.gz	QNOJERQXICDFKV-HDPGPSQBSA-N	-2	3	564.587	3.522	1	10		KHCFHL
CCCCCSCC(=O)[C@]1(O)Cc2c(O)c3c(c([O-])c2[C@@H](O[C@@H]2C[C@H]([N-]C(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	ZINC000049695230	562670324	/nfs/dbraw/zinc/67/03/24/562670324.db2.gz	UKSIKDLLCUABFT-AEWLJSQISA-N	-2	3	725.735	3.652	1	10		KHCFHL
CN(CCCc1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3ccc(S(=O)(=O)NCCc4ccccc4)cc3C2)c([O-])c(O)c1[O-]	ZINC000049776339	562679347	/nfs/dbraw/zinc/67/93/47/562679347.db2.gz	MSGQUTXPOGRULO-UHFFFAOYSA-N	-2	3	679.817	3.776	1	10		KHCFHL
O=S(=O)([O-])OCCc1cc(O)c([O-])c(Br)c1Cc1cc(O)c([O-])c(Br)c1Br	ZINC000049878043	562690404	/nfs/dbraw/zinc/69/04/04/562690404.db2.gz	RSHSGTXAJDPDPI-UHFFFAOYSA-N	-3	3	593.040	3.749	1	10		KHCFHL
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4cc(CC=C(C)C)c([O-])c(CN5CCN(c6ncccn6)CC5)c4)c(=O)oc3c2C)OC1(C)C	ZINC000095539410	562755020	/nfs/dbraw/zinc/75/50/20/562755020.db2.gz	AYHQTYARZXFDAR-ZNHXKFHXSA-N	-2	3	788.855	3.739	1	10		KHCFHL
O=C([O-])Cc1ccc(NC(=O)CNC(=O)CCCCCC(=O)Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccc(O)c(O)c2)cc1	ZINC000096934534	562803907	/nfs/dbraw/zinc/80/39/07/562803907.db2.gz	NZIFGYAHZLKXIV-UHFFFAOYSA-N	-3	3	634.594	3.520	1	10		KHCFHL
O=C(CCCCCC(=O)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1)NCC(=O)Nc1ccc(O)cc1	ZINC000096934536	562803890	/nfs/dbraw/zinc/80/38/90/562803890.db2.gz	SDEAIHAETSYMPQ-UHFFFAOYSA-N	-2	3	592.557	3.599	1	10		KHCFHL
O=C(CCCCCC(=O)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1)NCC(=O)Nc1ccccc1	ZINC000096934537	562803882	/nfs/dbraw/zinc/80/38/82/562803882.db2.gz	LGIPBPCXWFIALJ-UHFFFAOYSA-N	-2	3	576.558	3.893	1	10		KHCFHL
Cc1cc2c(c([O-])c1I)C(=O)c1c([O-])c(I)c([O-])c(I)c1C2=O	ZINC000169347419	562861991	/nfs/dbraw/zinc/86/19/91/562861991.db2.gz	AJUXCALFBRPYME-UHFFFAOYSA-N	-3	3	647.928	3.701	1	10		KHCFHL
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CSc1ccccc1)C[C@@H]3O[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O1	ZINC000169368231	562864601	/nfs/dbraw/zinc/86/46/01/562864601.db2.gz	YUJYIUQYCLUSIO-WTSZPHHJSA-N	-2	3	731.698	3.521	1	10		KHCFHL