smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@@]1(F)CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])C[C@@H]1CC	ZINC001303508664	1068042296	/nfs/dbraw/zinc/04/22/96/1068042296.db2.gz	XQGVPOKXBZJEKL-RNODOKPDSA-N	-2	1	470.544	3.008	20	10		JGCDML
O=C(N[C@@H](CO)c1ccc(Cl)cc1)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001301792148	1066742495	/nfs/dbraw/zinc/74/24/95/1066742495.db2.gz	ZEOHARZXJZCXIQ-INIZCTEOSA-N	-2	1	452.941	3.371	20	10		JGCDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CCC[C@@](O)(c2ccccc2)C1	ZINC001300879054	1065662039	/nfs/dbraw/zinc/66/20/39/1065662039.db2.gz	URXPHYLFSPZZGY-QFIPXVFZSA-N	-2	1	458.561	3.378	20	10		JGCDML
CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001304728688	1067800415	/nfs/dbraw/zinc/80/04/15/1067800415.db2.gz	SSPMMWDAJUJWTO-ZBFHGGJFSA-N	-2	1	466.581	3.495	20	10		JGCDML
CC[C@H](CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C(=O)OC(C)(C)C	ZINC001303840419	1068469115	/nfs/dbraw/zinc/46/91/15/1068469115.db2.gz	KWVVCKANTZAYHT-CYBMUJFWSA-N	-2	1	454.570	3.352	20	10		JGCDML
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1OC	ZINC000746696459	1065453139	/nfs/dbraw/zinc/45/31/39/1065453139.db2.gz	WMWXOFGZUXORNZ-UHFFFAOYSA-N	-2	1	483.351	3.263	20	10		JGCDML
CC[C@@H](CNC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])C(=O)OC(C)(C)C	ZINC001303840420	1068469061	/nfs/dbraw/zinc/46/90/61/1068469061.db2.gz	KWVVCKANTZAYHT-ZDUSSCGKSA-N	-2	1	454.570	3.352	20	10		JGCDML
CN(C[C@@]1(O)CCc2ccccc21)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001299804227	1065001719	/nfs/dbraw/zinc/00/17/19/1065001719.db2.gz	OAEBYEMLFQHAIB-QFIPXVFZSA-N	-2	1	458.561	3.161	20	10		JGCDML
Cc1ccnc(C2CCN(C(=O)c3cc([N-]S(=O)(=O)c4cccs4)ccc3[O-])CC2)n1	ZINC001304111308	1067152776	/nfs/dbraw/zinc/15/27/76/1067152776.db2.gz	QBPGLPNMKARFQA-UHFFFAOYSA-N	-2	1	458.565	3.373	20	10		JGCDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CCC[C@](O)(c2ccccc2)C1	ZINC001300879053	1065662146	/nfs/dbraw/zinc/66/21/46/1065662146.db2.gz	URXPHYLFSPZZGY-JOCHJYFZSA-N	-2	1	458.561	3.378	20	10		JGCDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CCS[C@H](C(F)(F)F)C1	ZINC001303681039	1068217300	/nfs/dbraw/zinc/21/73/00/1068217300.db2.gz	QCBWJAXPVADKOE-ZDUSSCGKSA-N	-2	1	452.501	3.374	20	10		JGCDML
COC(=O)CC1(CNC(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2[O-])CCCC1	ZINC001304492196	1067569802	/nfs/dbraw/zinc/56/98/02/1067569802.db2.gz	ZOOAFIDUQWPPPX-UHFFFAOYSA-N	-2	1	452.554	3.108	20	10		JGCDML
CN(C[C@]1(O)CCc2ccccc21)C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-]	ZINC001299804226	1065001742	/nfs/dbraw/zinc/00/17/42/1065001742.db2.gz	OAEBYEMLFQHAIB-JOCHJYFZSA-N	-2	1	458.561	3.161	20	10		JGCDML
O=C(c1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-])N1CCS[C@@H](C(F)(F)F)C1	ZINC001303681038	1068217217	/nfs/dbraw/zinc/21/72/17/1068217217.db2.gz	QCBWJAXPVADKOE-CYBMUJFWSA-N	-2	1	452.501	3.374	20	10		JGCDML
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1C	ZINC000746353576	1065310486	/nfs/dbraw/zinc/31/04/86/1065310486.db2.gz	CLIXMCYAPQQECG-UHFFFAOYSA-N	-2	1	450.897	3.048	20	10		JGCDML