smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1cc(S(=O)(=O)[N-][C@H]2CCN(c3ccccc3)C2=O)c([N+](=O)[O-])n1	ZINC000533631835	1197463420	/nfs/dbraw/zinc/46/34/20/1197463420.db2.gz	DULYMKRLTHEMRB-LBPRGKRZSA-N	-1	1	379.398	0.895	10	5		GCBEMM
O=C1NCCC[C@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000050397681	638544604	/nfs/dbraw/zinc/54/46/04/638544604.db2.gz	YQFZZBYRXLESLK-MRVPVSSYSA-N	-1	1	378.204	0.914	10	5		GCBEMM
CC[N@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000262456816	639081919	/nfs/dbraw/zinc/08/19/19/639081919.db2.gz	IGMIZIOILIEHSR-UHFFFAOYSA-N	-1	1	375.378	0.950	10	5		GCBEMM
CC[N@@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1	ZINC000262456816	639081925	/nfs/dbraw/zinc/08/19/25/639081925.db2.gz	IGMIZIOILIEHSR-UHFFFAOYSA-N	-1	1	375.378	0.950	10	5		GCBEMM
Cn1cc(C[N-]S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)nn1	ZINC000611935574	530268093	/nfs/dbraw/zinc/26/80/93/530268093.db2.gz	XNZLRSJJPZIZRR-UHFFFAOYSA-N	-1	1	376.192	0.964	10	5		GCBEMM
O=C(NCCN1CCN(C(=O)C2CCC2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000445004132	1196536951	/nfs/dbraw/zinc/53/69/51/1196536951.db2.gz	MADMFQNIEQPMOR-UHFFFAOYSA-N	-1	1	377.401	0.370	10	5		GCBEMM
O=C1[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCN1C1CCOCC1	ZINC000377962250	1189393652	/nfs/dbraw/zinc/39/36/52/1189393652.db2.gz	WUYRHPHKXGQFTP-GFCCVEGCSA-N	-1	1	387.389	0.792	10	5		GCBEMM
O=C1[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCN1C1CCOCC1	ZINC000377962252	1189394078	/nfs/dbraw/zinc/39/40/78/1189394078.db2.gz	WUYRHPHKXGQFTP-LBPRGKRZSA-N	-1	1	387.389	0.792	10	5		GCBEMM
CCn1cc(S(=O)(=O)[N-][C@@H]2CCN(c3ccccc3)C2=O)c([N+](=O)[O-])n1	ZINC000533631830	1197463467	/nfs/dbraw/zinc/46/34/67/1197463467.db2.gz	DULYMKRLTHEMRB-GFCCVEGCSA-N	-1	1	379.398	0.895	10	5		GCBEMM
O=C1CC[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])N1	ZINC000096715547	642065000	/nfs/dbraw/zinc/06/50/00/642065000.db2.gz	CEVSJTGIIORLMM-QMMMGPOBSA-N	-1	1	378.204	0.914	10	5		GCBEMM
O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCN1CCCS1(=O)=O	ZINC000608781498	530141534	/nfs/dbraw/zinc/14/15/34/530141534.db2.gz	CWVAYIFBCGJWPM-UHFFFAOYSA-N	-1	1	397.862	0.952	10	5		GCBEMM
Cn1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)nn1	ZINC000611935384	530267876	/nfs/dbraw/zinc/26/78/76/530267876.db2.gz	PQOGHVFFBMNEMC-UHFFFAOYSA-N	-1	1	376.192	0.964	10	5		GCBEMM
Cn1cc(C[N-]S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])nn1	ZINC000611934792	530267989	/nfs/dbraw/zinc/26/79/89/530267989.db2.gz	GTXVJAJLUHIBED-UHFFFAOYSA-N	-1	1	376.192	0.964	10	5		GCBEMM
O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCN1CCCS1(=O)=O	ZINC000725841136	638576855	/nfs/dbraw/zinc/57/68/55/638576855.db2.gz	XVIWORQEJNJKDL-UHFFFAOYSA-N	-1	1	397.862	0.952	10	5		GCBEMM
CCn1cc(S(=O)(=O)[N-]CCCc2nnc3ccccn32)c([N+](=O)[O-])n1	ZINC000532853541	1197416224	/nfs/dbraw/zinc/41/62/24/1197416224.db2.gz	GLFOUCTZVULDQO-UHFFFAOYSA-N	-1	1	379.402	0.765	10	5		GCBEMM
O=C1NCCC[C@@H]1[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-]	ZINC000050397682	638477517	/nfs/dbraw/zinc/47/75/17/638477517.db2.gz	YQFZZBYRXLESLK-QMMMGPOBSA-N	-1	1	378.204	0.914	10	5		GCBEMM
CN1CCO[C@H](C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000171094681	530943624	/nfs/dbraw/zinc/94/36/24/530943624.db2.gz	AWWKNPONHQYGNY-SNVBAGLBSA-N	-1	1	394.247	0.966	10	5		GCBEMM
O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cccc(N2CCOCC2)n1	ZINC000548150726	1185452112	/nfs/dbraw/zinc/45/21/12/1185452112.db2.gz	PYEARWDULANUGS-UHFFFAOYSA-N	-1	1	379.398	0.700	10	5		GCBEMM
O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCN1CCCS1(=O)=O	ZINC000725840275	638576524	/nfs/dbraw/zinc/57/65/24/638576524.db2.gz	CJKGPPUFAIIMFZ-UHFFFAOYSA-N	-1	1	381.407	0.438	10	5		GCBEMM
CN1CCO[C@@H](C[N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1	ZINC000171094687	530297577	/nfs/dbraw/zinc/29/75/77/530297577.db2.gz	AWWKNPONHQYGNY-JTQLQIEISA-N	-1	1	394.247	0.966	10	5		GCBEMM