smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000013263426	205094943	/nfs/dbraw/zinc/09/49/43/205094943.db2.gz	BLYJYNUUDZQINY-UHFFFAOYSA-N	-2	0	356.743	2.747	40	5		FFBBRL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000060554425	507561335	/nfs/dbraw/zinc/56/13/35/507561335.db2.gz	GHQISMJZJQNTOP-UHFFFAOYSA-N	-2	0	356.743	2.747	40	5		FFBBRL
O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000013263434	205094348	/nfs/dbraw/zinc/09/43/48/205094348.db2.gz	BLHCFUBFSXRLRU-UHFFFAOYSA-N	-2	0	356.743	2.747	40	5		FFBBRL
Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1	ZINC000013367066	206301337	/nfs/dbraw/zinc/30/13/37/206301337.db2.gz	WVWYWOYSFNNXGO-UHFFFAOYSA-N	-2	0	354.315	2.541	40	5		FFBBRL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OC(C)C	ZINC000013123902	506929323	/nfs/dbraw/zinc/92/93/23/506929323.db2.gz	IQDHVHBUPVGLOE-VURMDHGXSA-N	-2	0	361.354	2.740	40	5		FFBBRL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl	ZINC000047318023	507307490	/nfs/dbraw/zinc/30/74/90/507307490.db2.gz	VLLFHTJRDUWIOV-UHFFFAOYSA-N	-2	0	356.743	2.747	40	5		FFBBRL
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000223370824	509338377	/nfs/dbraw/zinc/33/83/77/509338377.db2.gz	VCJYNJWCZDVWKG-UHFFFAOYSA-N	-2	0	354.315	2.541	40	5		FFBBRL
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl	ZINC000057178023	210070630	/nfs/dbraw/zinc/07/06/30/210070630.db2.gz	HAYVKGKTOHCSAS-UHFFFAOYSA-N	-2	0	356.743	2.747	40	5		FFBBRL
O=[N+]([O-])c1cc(S(=O)(=O)c2ccc([S-])c([N+](=O)[O-])c2)ccc1[S-]	ZINC000001672251	506265677	/nfs/dbraw/zinc/26/56/77/506265677.db2.gz	NFMMQGHPLZJWKW-UHFFFAOYSA-N	-2	0	372.405	2.913	40	5		FFBBRL
Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000223256656	509333893	/nfs/dbraw/zinc/33/38/93/509333893.db2.gz	LELYKKHJBWSGES-UHFFFAOYSA-N	-2	0	364.379	2.721	40	5		FFBBRL
Cc1c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)cccc1[N+](=O)[O-]	ZINC000223370067	509337928	/nfs/dbraw/zinc/33/79/28/509337928.db2.gz	NZYKTTXHKOAGFX-UHFFFAOYSA-N	-2	0	354.315	2.541	40	5		FFBBRL
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F	ZINC000223369977	509336928	/nfs/dbraw/zinc/33/69/28/509336928.db2.gz	XRWQJUMYKCHROL-UHFFFAOYSA-N	-2	0	354.315	2.541	40	5		FFBBRL
CCCc1nc(SC(=Cc2cc([N+](=O)[O-])ccc2[O-])C(=O)[O-])n[nH]1	ZINC000038419731	506437588	/nfs/dbraw/zinc/43/75/88/506437588.db2.gz	VBNBYPKOBWCLSO-XFFZJAGNSA-N	-2	0	350.356	2.589	40	5		FFBBRL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl	ZINC000047318035	507307673	/nfs/dbraw/zinc/30/76/73/507307673.db2.gz	OHGQMVOHLDQMNS-UHFFFAOYSA-N	-2	0	356.743	2.747	40	5		FFBBRL