smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCc1cc(NCc2cc(Cl)cc(F)c2[O-])cc(C(=O)[O-])c1	ZINC001599290043	997049561	/nfs/dbraw/zinc/04/95/61/997049561.db2.gz	YNHKDZZOUCOOSN-UHFFFAOYSA-N	-2	1	339.750	3.641	20	10		EHCDML
O=S(=O)(Nc1ccc([O-])c(F)c1F)c1csc2ccccc21	ZINC001186494476	1134221519	/nfs/dbraw/zinc/22/15/19/1134221519.db2.gz	YDGAIJQHMMVZKS-UHFFFAOYSA-N	-2	1	341.360	3.686	20	10		EHCDML
Cc1cc2cccnc2c(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000776748677	1136629234	/nfs/dbraw/zinc/62/92/34/1136629234.db2.gz	BWRBSGQOSBVMPY-UHFFFAOYSA-N	-2	1	348.811	3.703	20	10		EHCDML
COCc1cc(NCc2cc(Cl)c(F)cc2[O-])cc(C(=O)[O-])c1	ZINC001599289771	997045111	/nfs/dbraw/zinc/04/51/11/997045111.db2.gz	MWVZCNCOPRRBMP-UHFFFAOYSA-N	-2	1	339.750	3.641	20	10		EHCDML
O=C(c1ccccc1)c1ccc([O-])c(CN(CC(F)F)C2CC2)c1[O-]	ZINC000730257581	1130692681	/nfs/dbraw/zinc/69/26/81/1130692681.db2.gz	RSBGZTHBRDHBFL-UHFFFAOYSA-N	-2	1	347.361	3.558	20	10		EHCDML
C[C@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ncc(C(=O)[O-])s1	ZINC001593291890	994672156	/nfs/dbraw/zinc/67/21/56/994672156.db2.gz	FJUCSDOCVLGCGO-LURJTMIESA-N	-2	1	347.223	3.705	20	10		EHCDML
CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC001191821905	1134931002	/nfs/dbraw/zinc/93/10/02/1134931002.db2.gz	RJXFOBLAWSSQHO-UHFFFAOYSA-N	-2	1	341.816	3.554	20	10		EHCDML
CC(C)Oc1ccc(C(=O)[O-])cc1NCc1cc(F)cc(F)c1[O-]	ZINC001591772778	975908166	/nfs/dbraw/zinc/90/81/66/975908166.db2.gz	KRDMCBIEEJOTRY-UHFFFAOYSA-N	-2	1	337.322	3.768	20	10		EHCDML
Cc1c(NCc2cccc(Br)c2[O-])cccc1C(=O)[O-]	ZINC000048796718	957460900	/nfs/dbraw/zinc/46/09/00/957460900.db2.gz	LBLYNAPIHFUYAF-UHFFFAOYSA-N	-2	1	336.185	3.773	20	10		EHCDML
O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1ccccc1Cl	ZINC000808115775	1135619649	/nfs/dbraw/zinc/61/96/49/1135619649.db2.gz	RWGMDQKZKKMXBR-UHFFFAOYSA-N	-2	1	336.171	3.639	20	10		EHCDML
COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1	ZINC000776750335	1136629668	/nfs/dbraw/zinc/62/96/68/1136629668.db2.gz	AQKDYYFZPBCQLW-UHFFFAOYSA-N	-2	1	348.207	3.508	20	10		EHCDML
Cc1coc2ccc([N-]S(=O)(=O)c3cc(F)cc(F)c3[O-])cc12	ZINC000821199454	1137019011	/nfs/dbraw/zinc/01/90/11/1137019011.db2.gz	WYKQGHLAJSWOME-UHFFFAOYSA-N	-2	1	339.319	3.526	20	10		EHCDML
COc1cc(C(=O)[O-])ccc1NCc1c([O-])ccc(Cl)c1F	ZINC001599375208	998473999	/nfs/dbraw/zinc/47/39/99/998473999.db2.gz	MEXCMVWMHAEZIE-UHFFFAOYSA-N	-2	1	325.723	3.504	20	10		EHCDML
COc1ccc(C(=O)[O-])cc1NCc1c([O-])ccc(Cl)c1F	ZINC000789897427	1134346894	/nfs/dbraw/zinc/34/68/94/1134346894.db2.gz	JJLLSTWXSLUDIR-UHFFFAOYSA-N	-2	1	325.723	3.504	20	10		EHCDML
CSc1ccc(NCc2cc(F)cc(F)c2[O-])cc1C(=O)[O-]	ZINC001599820926	988512242	/nfs/dbraw/zinc/51/22/42/988512242.db2.gz	PDFIXJLHKZJCIS-UHFFFAOYSA-N	-2	1	325.336	3.703	20	10		EHCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cc2c(s1)CCCC2	ZINC001187210722	1134315105	/nfs/dbraw/zinc/31/51/05/1134315105.db2.gz	YNMVJBJILKTSPK-UHFFFAOYSA-N	-2	1	343.857	3.787	20	10		EHCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1c(F)cccc1Cl	ZINC000126388267	1028074336	/nfs/dbraw/zinc/07/43/36/1028074336.db2.gz	LTOWVJKWDCLVSX-UHFFFAOYSA-N	-2	1	336.171	3.639	20	10		EHCDML
C[C@@H](NCc1cc(Cl)cc(Cl)c1[O-])c1ncc(C(=O)[O-])s1	ZINC001593291891	994672301	/nfs/dbraw/zinc/67/23/01/994672301.db2.gz	FJUCSDOCVLGCGO-ZCFIWIBFSA-N	-2	1	347.223	3.705	20	10		EHCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cc(Cl)ccc1F	ZINC000790068231	1134363118	/nfs/dbraw/zinc/36/31/18/1134363118.db2.gz	NYACTDMHEZZMTM-UHFFFAOYSA-N	-2	1	336.171	3.639	20	10		EHCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cccc(Cl)c1F	ZINC000776751922	1136634372	/nfs/dbraw/zinc/63/43/72/1136634372.db2.gz	YBOLCHJGMKIUEF-UHFFFAOYSA-N	-2	1	336.171	3.639	20	10		EHCDML
O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1cc(F)ccc1Cl	ZINC000128632594	1137790052	/nfs/dbraw/zinc/79/00/52/1137790052.db2.gz	MUSNJJOYEKYLOL-UHFFFAOYSA-N	-2	1	336.171	3.639	20	10		EHCDML
CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)c1[O-]	ZINC000825946917	601411944	/nfs/dbraw/zinc/41/19/44/601411944.db2.gz	WUYNXYQBQBOXJR-UHFFFAOYSA-N	-2	1	347.798	3.578	20	10		EHCDML