smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1c(Cl)ncnc1[N-]c1ccccc1C(F)(F)F	ZINC000040571155	183103690	/nfs/dbraw/zinc/10/36/90/183103690.db2.gz	SXJFXPMVLIGFPO-UHFFFAOYSA-N	-1	1	318.642	3.801	10	5		DHBEMM
Cc1ccc2cccc([N-]c3ncnc(Cl)c3[N+](=O)[O-])c2n1	ZINC000040571269	183104640	/nfs/dbraw/zinc/10/46/40/183104640.db2.gz	FEONZKAXGDZIHY-UHFFFAOYSA-N	-1	1	315.720	3.638	10	5		DHBEMM
O=[N+]([O-])c1cnc([N-][C@@H](Cc2ccccc2)C(F)(F)F)s1	ZINC000192493802	336036222	/nfs/dbraw/zinc/03/62/22/336036222.db2.gz	MOWOWESOHMXPIK-VIFPVBQESA-N	-1	1	317.292	3.637	10	5		DHBEMM
CC(C)(C)Nc1ncnc([N-]c2cc(F)ccc2F)c1[N+](=O)[O-]	ZINC000040581880	183105340	/nfs/dbraw/zinc/10/53/40/183105340.db2.gz	FZQCHJCGHKFCGA-UHFFFAOYSA-N	-1	1	323.303	3.617	10	5		DHBEMM
CC1(C)C=Cc2c(O)c3c(cc2O1)oc1c([O-])cccc1c3=O	ZINC000005762059	181281479	/nfs/dbraw/zinc/28/14/79/181281479.db2.gz	NHNIESSJWQBRJW-UHFFFAOYSA-N	-1	1	310.305	3.542	10	5	biogenic,in-vitro	DHBEMM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccc3ncccc3c2)s1	ZINC000584630665	337376858	/nfs/dbraw/zinc/37/68/58/337376858.db2.gz	SRUVUDOPSBKTSA-UHFFFAOYSA-N	-1	1	316.298	3.856	10	5		DHBEMM
O=[N+]([O-])c1c(Oc2ccccc2)[n-]cnc1=NNc1ccccc1	ZINC000040624633	183111187	/nfs/dbraw/zinc/11/11/87/183111187.db2.gz	YHGHTZUQJDDPCA-UHFFFAOYSA-N	-1	1	323.312	3.616	10	5		DHBEMM
O=[N+]([O-])c1cnc([N-][C@H](Cc2ccccc2)C(F)(F)F)s1	ZINC000192493811	336036096	/nfs/dbraw/zinc/03/60/96/336036096.db2.gz	MOWOWESOHMXPIK-SECBINFHSA-N	-1	1	317.292	3.637	10	5		DHBEMM
CN(c1ccccc1)c1ccnc([N-]c2ccccc2[N+](=O)[O-])n1	ZINC000584624107	337375184	/nfs/dbraw/zinc/37/51/84/337375184.db2.gz	VEUVGHCUHNNBGJ-UHFFFAOYSA-N	-1	1	321.340	3.896	10	5		DHBEMM
Cc1ccc([N-]c2ncnc(Nc3ccccc3)c2[N+](=O)[O-])nc1	ZINC000040647945	183114240	/nfs/dbraw/zinc/11/42/40/183114240.db2.gz	FXFHLDZUUJBQSB-UHFFFAOYSA-N	-1	1	322.328	3.575	10	5		DHBEMM