smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(C)Cc3nc(=O)o[n-]3)ccc2C)cc1	ZINC001299928706	1065191037	/nfs/dbraw/zinc/19/10/37/1065191037.db2.gz	HMOPINSOAQUXQI-UHFFFAOYSA-N	-2	1	458.540	3.087	20	0		JGADML
COC(=O)CC[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])C1	ZINC001303266363	1067793164	/nfs/dbraw/zinc/79/31/64/1067793164.db2.gz	XSWNIWOBHRVMSQ-AWEZNQCLSA-N	-2	1	452.554	3.060	20	0		JGADML
O=C([N-]CC[C@@H]1CN(C(=O)c2ncc(Br)cc2[O-])c2ccccc21)C(F)(F)F	ZINC001302621192	1067252374	/nfs/dbraw/zinc/25/23/74/1067252374.db2.gz	MJLDIOUVAZGWLU-SNVBAGLBSA-N	-2	1	458.234	3.362	20	0		JGADML
Cc1cc(C(=O)N2CCC[C@H]2COc2ccc(Br)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC001304216789	1067259457	/nfs/dbraw/zinc/25/94/57/1067259457.db2.gz	UEMNJEBUMHOWEU-ZDUSSCGKSA-N	-2	1	459.300	3.191	20	0		JGADML
CN(c1ccccc1)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1	ZINC000025423735	563020451	/nfs/dbraw/zinc/02/04/51/563020451.db2.gz	JVIJLAPOXZCSAQ-NTCAYCPXSA-N	-2	1	472.544	3.410	20	0		JGADML
O=C(Nc1ccccc1[C@@H]1CCC(=O)N1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-]	ZINC001301695518	1066583158	/nfs/dbraw/zinc/58/31/58/1066583158.db2.gz	XZFLBAFIBNNUBQ-KRWDZBQOSA-N	-2	1	457.533	3.458	20	0		JGADML
O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-])N1CCC[C@@]1(CO)c1ccccc1	ZINC001305733675	1069153113	/nfs/dbraw/zinc/15/31/13/1069153113.db2.gz	WNNWNPDCNFQNQG-JOCHJYFZSA-N	-2	1	458.561	3.378	20	0		JGADML
O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-])N1CCC[C@]1(CO)c1ccccc1	ZINC001305733676	1069153142	/nfs/dbraw/zinc/15/31/42/1069153142.db2.gz	WNNWNPDCNFQNQG-QFIPXVFZSA-N	-2	1	458.561	3.378	20	0		JGADML
O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-])N1CCO[C@@H](C(F)(F)F)CC1	ZINC001303272491	1067801738	/nfs/dbraw/zinc/80/17/38/1067801738.db2.gz	KWHQMZCGZKGNHU-CQSZACIVSA-N	-2	1	450.460	3.048	20	0		JGADML
O=C(Nc1ccccc1[C@H]1CCC(=O)N1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-]	ZINC001301695519	1066583264	/nfs/dbraw/zinc/58/32/64/1066583264.db2.gz	XZFLBAFIBNNUBQ-QGZVFWFLSA-N	-2	1	457.533	3.458	20	0		JGADML
Cc1cc(C(=O)N2CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2	ZINC001304196387	1067245893	/nfs/dbraw/zinc/24/58/93/1067245893.db2.gz	JXGLOUSHLVQPCA-UHFFFAOYSA-N	-2	1	459.547	3.148	20	0		JGADML
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-]	ZINC001303769662	1068342219	/nfs/dbraw/zinc/34/22/19/1068342219.db2.gz	QEXMSECPYYAZPE-CZUORRHYSA-N	-2	1	481.596	3.240	20	0		JGADML
O=C([N-]CC[C@H]1CN(C(=O)c2ncc(Br)cc2[O-])c2ccccc21)C(F)(F)F	ZINC001302621191	1067252201	/nfs/dbraw/zinc/25/22/01/1067252201.db2.gz	MJLDIOUVAZGWLU-JTQLQIEISA-N	-2	1	458.234	3.362	20	0		JGADML
COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])c2ccccc21	ZINC001303163887	1067701241	/nfs/dbraw/zinc/70/12/41/1067701241.db2.gz	QHEIOXOKFALOGM-MSOLQXFVSA-N	-2	1	472.544	3.386	20	0		JGADML
COC(=O)CC[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])C1	ZINC001303266365	1067793100	/nfs/dbraw/zinc/79/31/00/1067793100.db2.gz	XSWNIWOBHRVMSQ-CQSZACIVSA-N	-2	1	452.554	3.060	20	0		JGADML
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)Nc2cccc3c2COC3=O)c1	ZINC001298845731	1064649336	/nfs/dbraw/zinc/64/93/36/1064649336.db2.gz	DORYJVHUJODKKC-UHFFFAOYSA-N	-2	1	454.460	3.124	20	0		JGADML
COc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(C(=O)Nc2ccccc2NC(C)=O)c1	ZINC001300995215	1065813188	/nfs/dbraw/zinc/81/31/88/1065813188.db2.gz	UNEMDWWMPOXTMU-UHFFFAOYSA-N	-2	1	455.492	3.412	20	0		JGADML
O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1[O-])N1CCO[C@H](C(F)(F)F)CC1	ZINC001303272490	1067801876	/nfs/dbraw/zinc/80/18/76/1067801876.db2.gz	KWHQMZCGZKGNHU-AWEZNQCLSA-N	-2	1	450.460	3.048	20	0		JGADML