smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(CCNC(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2[O-])c1	ZINC000749268774	1067557086	/nfs/dbraw/zinc/55/70/86/1067557086.db2.gz	DQXIMXCYIJUXSL-UHFFFAOYSA-N	-2	3	455.492	3.382	20	10		JGCDHL
COc1c(C)cnc(CNC(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2[O-])c1C	ZINC000747900349	1067537497	/nfs/dbraw/zinc/53/74/97/1067537497.db2.gz	YGEXYQOZFUHHIR-UHFFFAOYSA-N	-2	3	486.506	3.052	20	10		JGCDHL
C[C@]1(CCNC(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2[O-])CC1(F)F	ZINC001300975349	1065785314	/nfs/dbraw/zinc/78/53/14/1065785314.db2.gz	CZKPREVOGOGAJT-SFHVURJKSA-N	-2	3	455.439	3.266	20	10		JGCDHL
O=C(NCc1nc(-c2ccccc2)c[nH]1)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000747874451	1067516689	/nfs/dbraw/zinc/51/66/89/1067516689.db2.gz	BFUDOXHEVOJOFJ-UHFFFAOYSA-N	-2	3	493.501	3.421	20	10		JGCDHL
C[C@H]1C[C@H](NC(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2[O-])CCS1	ZINC001304390220	1067450187	/nfs/dbraw/zinc/45/01/87/1067450187.db2.gz	FSYNVWMUSBIAHT-QWHCGFSZSA-N	-2	3	451.526	3.115	20	10		JGCDHL
C[C@H]1C[C@@H](NC(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2[O-])CCS1	ZINC001304390222	1067450105	/nfs/dbraw/zinc/45/01/05/1067450105.db2.gz	FSYNVWMUSBIAHT-STQMWFEESA-N	-2	3	451.526	3.115	20	10		JGCDHL
COc1ccc2c(c1)CCN2C(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000746892250	1066567903	/nfs/dbraw/zinc/56/79/03/1066567903.db2.gz	ORMVQQQPNKDJMB-UHFFFAOYSA-N	-2	3	469.475	3.313	20	10		JGCDHL
CN(C)c1ccc(CNC(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2[O-])cc1F	ZINC000746889844	1066568092	/nfs/dbraw/zinc/56/80/92/1066568092.db2.gz	GLRNYSDWSJLRPV-UHFFFAOYSA-N	-2	3	488.497	3.236	20	10		JGCDHL
CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1	ZINC000746694796	1065453192	/nfs/dbraw/zinc/45/31/92/1065453192.db2.gz	CXDHBEIKMOYWMT-UHFFFAOYSA-N	-2	3	453.325	3.254	20	10		JGCDHL
CCc1cccc(NC(=O)CNC(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2[O-])c1	ZINC000748345974	1068066142	/nfs/dbraw/zinc/06/61/42/1068066142.db2.gz	ICRFEPNDSHVBPR-UHFFFAOYSA-N	-2	3	498.517	3.032	20	10		JGCDHL
CN(C)c1cccc(CNC(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2[O-])c1	ZINC000748357508	1068070766	/nfs/dbraw/zinc/07/07/66/1068070766.db2.gz	HGHHPGXBCNWEPO-UHFFFAOYSA-N	-2	3	470.507	3.097	20	10		JGCDHL
O=C(NCCCOC1CCCC1)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000747217777	1066569967	/nfs/dbraw/zinc/56/99/67/1066569967.db2.gz	YXCWWRXVDNNYKX-UHFFFAOYSA-N	-2	3	463.512	3.180	20	10		JGCDHL
O=C(NCCc1cc(F)cc(F)c1)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000748848856	1067158295	/nfs/dbraw/zinc/15/82/95/1067158295.db2.gz	MFHAQZQQMHQZDW-UHFFFAOYSA-N	-2	3	477.445	3.352	20	10		JGCDHL
C[C@@]1(CCNC(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2[O-])CC1(F)F	ZINC001300975348	1065785398	/nfs/dbraw/zinc/78/53/98/1065785398.db2.gz	CZKPREVOGOGAJT-GOSISDBHSA-N	-2	3	455.439	3.266	20	10		JGCDHL
Cc1ccc(S(=O)(=O)[N-]c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)cc1	ZINC000747841006	1067485410	/nfs/dbraw/zinc/48/54/10/1067485410.db2.gz	YFGMNCBZLLWTRY-UHFFFAOYSA-N	-3	3	452.535	3.356	20	10		JGCDHL
C[C@@H]1CN(C(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2[O-])CCC1(F)F	ZINC001298822593	1064623840	/nfs/dbraw/zinc/62/38/40/1064623840.db2.gz	KLMCUPWPXXOCNM-GFCCVEGCSA-N	-2	3	455.439	3.219	20	10		JGCDHL
C[C@H]1CN(C(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2[O-])CCC1(F)F	ZINC001298822594	1064623898	/nfs/dbraw/zinc/62/38/98/1064623898.db2.gz	KLMCUPWPXXOCNM-LBPRGKRZSA-N	-2	3	455.439	3.219	20	10		JGCDHL
O=C(NCCCOc1ccc(F)cc1)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000746399423	1065310696	/nfs/dbraw/zinc/31/06/96/1065310696.db2.gz	YCCYKMYROPQREW-UHFFFAOYSA-N	-2	3	489.481	3.439	20	10		JGCDHL
C[C@@H]1C[C@@H](NC(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2[O-])CCS1	ZINC001304390218	1067450088	/nfs/dbraw/zinc/45/00/88/1067450088.db2.gz	FSYNVWMUSBIAHT-OLZOCXBDSA-N	-2	3	451.526	3.115	20	10		JGCDHL
Cc1ccc(S(=O)(=O)[N-]c2ccc([N-]S(=O)(=O)c3cncc(F)c3)cc2)cc1[N+](=O)[O-]	ZINC000749152007	1067402442	/nfs/dbraw/zinc/40/24/42/1067402442.db2.gz	OFJDWPVLLMXFNR-UHFFFAOYSA-N	-2	3	466.472	3.039	20	10		JGCDHL
C[C@@H]1C[C@H](NC(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2[O-])CCS1	ZINC001304390216	1067450061	/nfs/dbraw/zinc/45/00/61/1067450061.db2.gz	FSYNVWMUSBIAHT-CHWSQXEVSA-N	-2	3	451.526	3.115	20	10		JGCDHL
O=C(NCc1ccc(OCC2CC2)nc1)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-]	ZINC000749272350	1067558927	/nfs/dbraw/zinc/55/89/27/1067558927.db2.gz	OFLVWUOGWDIMTE-UHFFFAOYSA-N	-2	3	498.517	3.215	20	10		JGCDHL