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)NCCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@@H](C)C(=O)[O-]	ZINC001602755812	971467171	/nfs/dbraw/zinc/46/71/71/971467171.db2.gz	OZDXQLXSBAOFKD-ZETCQYMHSA-N	-1	0	349.340	-0.276	20	70		EBIDRM
O=C([O-])CNC(=O)C[S@@](=O)Cc1ccc(S(=O)(=O)F)cc1	ZINC001595098982	951846453	/nfs/dbraw/zinc/84/64/53/951846453.db2.gz	DMGJQNTZWOBQPN-FQEVSTJZSA-N	-1	0	337.350	-0.206	20	70		EBIDRM
O=C([O-])COCCOCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	ZINC001595115035	951940802	/nfs/dbraw/zinc/94/08/02/951940802.db2.gz	SZRXNYXVWZAHQG-UHFFFAOYSA-N	-1	0	338.313	-0.480	20	70		EBIDRM
COC(=O)[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C(=O)[O-]	ZINC001598814788	996260635	/nfs/dbraw/zinc/26/06/35/996260635.db2.gz	DHIHERCICIDHLX-SFYZADRCSA-N	-1	0	348.308	-0.381	20	70		EBIDRM
COC(=O)CC[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)[O-]	ZINC001598857636	996651675	/nfs/dbraw/zinc/65/16/75/996651675.db2.gz	FETRCLWIEKEEDS-SSDOTTSWSA-N	-1	0	336.297	-0.191	20	70		EBIDRM
Cn1nccc1[C@@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)[O-]	ZINC001605568580	973820771	/nfs/dbraw/zinc/82/07/71/973820771.db2.gz	WWKGBAXDPMGVHN-SECBINFHSA-N	-1	0	330.297	-0.038	20	70		EBIDRM
COC(=O)[C@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C(=O)[O-]	ZINC001598814789	996260487	/nfs/dbraw/zinc/26/04/87/996260487.db2.gz	DHIHERCICIDHLX-YUMQZZPRSA-N	-1	0	348.308	-0.381	20	70		EBIDRM
COC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@@H]1C(=O)[O-]	ZINC001598814787	996260854	/nfs/dbraw/zinc/26/08/54/996260854.db2.gz	DHIHERCICIDHLX-JGVFFNPUSA-N	-1	0	348.308	-0.381	20	70		EBIDRM
CN1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1=O	ZINC001598561497	993092126	/nfs/dbraw/zinc/09/21/26/993092126.db2.gz	BGGKXANCSGDECY-JTQLQIEISA-N	-1	0	344.320	-0.288	20	70		EBIDRM
COC(=O)CC[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)[O-]	ZINC001593847054	955429442	/nfs/dbraw/zinc/42/94/42/955429442.db2.gz	FETRCLWIEKEEDS-ZETCQYMHSA-N	-1	0	336.297	-0.191	20	70		EBIDRM
COC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1cc(S(=O)(=O)F)c[nH]1	ZINC001598892440	997018125	/nfs/dbraw/zinc/01/81/25/997018125.db2.gz	OXIOJNGDVNRJTE-SSDOTTSWSA-N	-1	0	336.297	-0.191	20	70		EBIDRM
COC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)F)c[nH]2)C[C@H]1C(=O)[O-]	ZINC001598814785	996260587	/nfs/dbraw/zinc/26/05/87/996260587.db2.gz	DHIHERCICIDHLX-HTQZYQBOSA-N	-1	0	348.308	-0.381	20	70		EBIDRM
CC(=O)NCCN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)[C@H](C)C(=O)[O-]	ZINC001602755811	971467248	/nfs/dbraw/zinc/46/72/48/971467248.db2.gz	OZDXQLXSBAOFKD-SSDOTTSWSA-N	-1	0	349.340	-0.276	20	70		EBIDRM
CC(C)(C)C(=O)Cn1cc(C(=O)NCCCc2nc(=O)[n-][nH]2)nn1	ZINC000161352575	378331176	/nfs/dbraw/zinc/33/11/76/378331176.db2.gz	ARFJSXHOLQLOBL-UHFFFAOYSA-N	-1	0	335.368	-0.333	20	70		EBIDRM
O=C([O-])[C@@]12COC[C@@H]1CN(C(=O)c1cc(S(=O)(=O)F)c[nH]1)C2	ZINC001595279140	949959562	/nfs/dbraw/zinc/95/95/62/949959562.db2.gz	NMESUWDXIUZZJW-MADCSZMMSA-N	-1	0	332.309	-0.154	20	70		EBIDRM
Cn1nccc1[C@H](NC(=O)c1cc(S(=O)(=O)F)c[nH]1)C(=O)[O-]	ZINC001605568582	973821159	/nfs/dbraw/zinc/82/11/59/973821159.db2.gz	WWKGBAXDPMGVHN-VIFPVBQESA-N	-1	0	330.297	-0.038	20	70		EBIDRM
O=C([O-])CNC(=O)C[S@](=O)Cc1ccc(S(=O)(=O)F)cc1	ZINC001595098984	951846816	/nfs/dbraw/zinc/84/68/16/951846816.db2.gz	DMGJQNTZWOBQPN-HXUWFJFHSA-N	-1	0	337.350	-0.206	20	70		EBIDRM
CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1=O	ZINC001598561499	993092273	/nfs/dbraw/zinc/09/22/73/993092273.db2.gz	BGGKXANCSGDECY-SNVBAGLBSA-N	-1	0	344.320	-0.288	20	70		EBIDRM