smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(-n2[n-]c(C)c(C=Nc3ccc(Cl)c(C(=O)[O-])c3)c2=O)ccc1Cl	ZINC000008437837	557789135	/nfs/dbraw/zinc/78/91/35/557789135.db2.gz	SPXASWSOAZABCG-ZROIWOOFSA-N	-2	1	420.252	4.419	50	10		HICAML
O=c1cc2oc3cc([O-])c(O)cc3c(-c3ccc([O-])c(Br)c3)c-2cc1O	ZINC000032669136	848061597	/nfs/dbraw/zinc/06/15/97/848061597.db2.gz	AQSDNXSAGQVTRZ-UHFFFAOYSA-N	-2	1	415.195	4.150	50	10		HICAML
Cc1cc([O-])c(Sc2nc[nH]n2)cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1	ZINC000004735769	559034848	/nfs/dbraw/zinc/03/48/48/559034848.db2.gz	CLWMMCLIWAYHOB-UHFFFAOYSA-N	-2	1	418.544	4.068	50	10		HICAML
Cc1c(Br)c([O-])c(Br)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000000939834	568752755	/nfs/dbraw/zinc/75/27/55/568752755.db2.gz	ZMVJFPQJOZTXTQ-UHFFFAOYSA-N	-2	1	421.110	4.026	50	10		HICAML
Cc1[n-]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1cccc(C(=O)[O-])c1	ZINC000020036787	558325150	/nfs/dbraw/zinc/32/51/50/558325150.db2.gz	LHGRZBKZOWNUME-YBEGLDIGSA-N	-2	1	414.259	4.174	50	10		HICAML
O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc([O-])c(Cl)c1	ZINC000001198075	132241882	/nfs/dbraw/zinc/24/18/82/132241882.db2.gz	QAGXHIDIZXLGPF-RMKNXTFCSA-N	-2	1	411.628	4.019	50	10		HICAML
Cc1ccc(S(=O)(=O)[N-]c2cc(Br)c([O-])c(Br)c2)cc1	ZINC000000828900	568962621	/nfs/dbraw/zinc/96/26/21/568962621.db2.gz	HAYLIGDJFXRLMU-UHFFFAOYSA-N	-2	1	421.110	4.026	50	10		HICAML
O=C([O-])CCSc1cc([N-]S(=O)(=O)c2ccc(F)cc2)c2ccccc2c1O	ZINC000008870704	571130193	/nfs/dbraw/zinc/13/01/93/571130193.db2.gz	WMSUJSYAIZCHCX-UHFFFAOYSA-N	-2	1	421.471	4.052	50	10		HICAML
Cc1ccc(C)c(S(=O)(=O)[N-]c2cc(SCC(=O)[O-])c(O)c3ccccc23)c1	ZINC000004148297	568916676	/nfs/dbraw/zinc/91/66/76/568916676.db2.gz	LBGCQVXSEQJDOV-UHFFFAOYSA-N	-2	1	417.508	4.140	50	10		HICAML
O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc([O-])c(Cl)c1	ZINC000014011180	558613467	/nfs/dbraw/zinc/61/34/67/558613467.db2.gz	QAGXHIDIZXLGPF-TWGQIWQCSA-N	-2	1	411.628	4.019	50	10		HICAML
Cc1ccc(S(=O)(=O)[N-]c2cc(SCCC(=O)[O-])c(O)c3ccccc23)cc1	ZINC000005516233	560604210	/nfs/dbraw/zinc/60/42/10/560604210.db2.gz	APEFQZVHQYCSTG-UHFFFAOYSA-N	-2	1	417.508	4.221	50	10		HICAML
CCc1ccc(S(=O)(=O)[N-]c2cc(SCC(=O)[O-])c(O)c3ccccc23)cc1	ZINC000000645679	568457197	/nfs/dbraw/zinc/45/71/97/568457197.db2.gz	YNKXUMMWJICJAZ-UHFFFAOYSA-N	-2	1	417.508	4.085	50	10		HICAML
COc1cc(-n2[n-]c(C)c(C=Nc3ccc(Cl)c(C(=O)[O-])c3)c2=O)ccc1Cl	ZINC000101123417	560788207	/nfs/dbraw/zinc/78/82/07/560788207.db2.gz	SPXASWSOAZABCG-NTEUORMPSA-N	-2	1	420.252	4.419	50	10		HICAML
Cc1ccc(S(=O)(=O)[N-]c2cc(SCC(=O)[O-])c(O)c3ccccc23)c(C)c1	ZINC000000645678	568457160	/nfs/dbraw/zinc/45/71/60/568457160.db2.gz	SKJFKLPCRFBKDT-UHFFFAOYSA-N	-2	1	417.508	4.140	50	10		HICAML