smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccnc1Nc1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-]	ZINC000040626102	205074318	/nfs/dbraw/zinc/07/43/18/205074318.db2.gz	QERSYKWVGZVGEN-UHFFFAOYSA-N	0	2	357.761	3.624	10	5		FHBELN
Cc1ccc2cccc(Oc3ncnc(NNC(C)(C)C)c3[N+](=O)[O-])c2n1	ZINC000040618681	205075117	/nfs/dbraw/zinc/07/51/17/205075117.db2.gz	VIYXNLWAPZWOFN-UHFFFAOYSA-N	0	2	368.397	3.749	10	5		FHBELN
Cc1cccc(Nc2ncnc(Nc3cccnc3Cl)c2[N+](=O)[O-])n1	ZINC000040584894	205073277	/nfs/dbraw/zinc/07/32/77/205073277.db2.gz	BJPSKRWNAVPAMN-UHFFFAOYSA-N	0	2	357.761	3.624	10	5		FHBELN
Cc1cc(Oc2ncnc(NNC(C)(C)C)c2[N+](=O)[O-])ccc1Cl	ZINC000040659901	205075384	/nfs/dbraw/zinc/07/53/84/205075384.db2.gz	CTTKSYKTLPQEPC-UHFFFAOYSA-N	0	2	351.794	3.854	10	5		FHBELN
COc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1	ZINC000005249028	207090308	/nfs/dbraw/zinc/09/03/08/207090308.db2.gz	JDMOPVCSKYYBET-UHFFFAOYSA-N	0	2	358.375	3.557	10	5		FHBELN
COc1ccccc1Oc1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-]	ZINC000040661592	208261139	/nfs/dbraw/zinc/26/11/39/208261139.db2.gz	SAKXEXYAMDDTEA-UHFFFAOYSA-N	0	2	373.756	3.978	10	5		FHBELN
O=[N+]([O-])c1c(Nc2ccc(Cl)cn2)ncnc1-n1cnc2ccccc21	ZINC000040647223	208260628	/nfs/dbraw/zinc/26/06/28/208260628.db2.gz	MESQBYMACAATBH-UHFFFAOYSA-N	0	2	367.756	3.516	10	5		FHBELN
Cc1ccc(Nc2ncnc(Nc3cccnc3Cl)c2[N+](=O)[O-])nc1	ZINC000040660649	208260853	/nfs/dbraw/zinc/26/08/53/208260853.db2.gz	FGUGJEXFIRDDII-UHFFFAOYSA-N	0	2	357.761	3.624	10	5		FHBELN
Cc1cccnc1Nc1ncnc(Nc2ccc(F)cc2F)c1[N+](=O)[O-]	ZINC000040626035	208259065	/nfs/dbraw/zinc/25/90/65/208259065.db2.gz	SCCYZRIOTHJKKM-UHFFFAOYSA-N	0	2	358.308	3.854	10	5		FHBELN
COc1ccc(Oc2ncnc(Nc3ncccc3C)c2[N+](=O)[O-])cc1	ZINC000040626111	208258986	/nfs/dbraw/zinc/25/89/86/208258986.db2.gz	CLJSKPVDJUHCAX-UHFFFAOYSA-N	0	2	353.338	3.633	10	5		FHBELN
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1Br	ZINC000017965115	220220376	/nfs/dbraw/zinc/22/03/76/220220376.db2.gz	QTRYKHLTCHYRKN-SECBINFHSA-N	0	2	365.183	3.554	10	5		FHBELN