smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCc1nc(SC(=Cc2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C(=O)[O-])n[n-]1	ZINC000408631818	557422756	/nfs/dbraw/zinc/42/27/56/557422756.db2.gz	LWWGKJQADZROCM-YVLHZVERSA-N	-2	3	428.470	4.760	40	5		IJBBHL
CCc1nc(SC(=Cc2cc([N+](=O)[O-])ccc2Sc2ccccc2)C(=O)[O-])n[n-]1	ZINC000408632610	557422767	/nfs/dbraw/zinc/42/27/67/557422767.db2.gz	RZOIDSMLIDJTEQ-LFIBNONCSA-N	-2	3	428.495	4.644	40	5		IJBBHL
CCc1nc(SC(=Cc2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)C(=O)[O-])n[n-]1	ZINC000408633288	557423028	/nfs/dbraw/zinc/42/30/28/557423028.db2.gz	XOEIRXGCSDRWHV-LFIBNONCSA-N	-2	3	428.495	4.644	40	5		IJBBHL
CCCc1nc(SC(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)[O-])n[n-]1	ZINC000408631845	557422793	/nfs/dbraw/zinc/42/27/93/557422793.db2.gz	MEWDVOULYLHKEH-DHDCSXOGSA-N	-2	3	434.861	4.797	40	5		IJBBHL
CCCc1nc(SC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)[O-])n[n-]1	ZINC000408630528	557424168	/nfs/dbraw/zinc/42/41/68/557424168.db2.gz	BBTGDOKECNAUPJ-DHDCSXOGSA-N	-2	3	434.861	4.797	40	5		IJBBHL
CCCc1nc(SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)[O-])n[n-]1	ZINC000408631918	557422712	/nfs/dbraw/zinc/42/27/12/557422712.db2.gz	NEWZGJUBVQJIKI-DHDCSXOGSA-N	-2	3	434.861	4.797	40	5		IJBBHL
O=c1nc(C=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000409313032	556636973	/nfs/dbraw/zinc/63/69/73/556636973.db2.gz	AZAUAGXKIQSCIF-BAQGIRSFSA-N	-2	3	434.235	4.852	40	5		IJBBHL
O=c1nc(C=Cc2ccccc2OCc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c([O-])[n-]1	ZINC000409317096	557060676	/nfs/dbraw/zinc/06/06/76/557060676.db2.gz	NZONNJAZSGYTET-VURMDHGXSA-N	-2	3	434.235	4.852	40	5		IJBBHL
CCc1nc(SC(=Cc2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)C(=O)[O-])n[n-]1	ZINC000408633301	557423043	/nfs/dbraw/zinc/42/30/43/557423043.db2.gz	XPTCHIJJUGUUFE-GZTJUZNOSA-N	-2	3	442.522	4.953	40	5		IJBBHL
O=c1nc(C=Cc2cn(Cc3ccc(F)cc3Cl)c3ccccc23)c([N+](=O)[O-])c([O-])[n-]1	ZINC000409310899	557057572	/nfs/dbraw/zinc/05/75/72/557057572.db2.gz	CMMSRRYAWXDDNN-SOFGYWHQSA-N	-2	3	440.818	4.762	40	5		IJBBHL
CCc1nc(SC(=Cc2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C(=O)[O-])n[n-]1	ZINC000408633484	557423061	/nfs/dbraw/zinc/42/30/61/557423061.db2.gz	YYMLUZBSEYVBQM-GZTJUZNOSA-N	-2	3	442.522	4.953	40	5		IJBBHL
O=c1nc(C=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000409337403	557072775	/nfs/dbraw/zinc/07/27/75/557072775.db2.gz	YEZGYKRLKLPHSI-DAXSKMNVSA-N	-2	3	434.235	4.852	40	5		IJBBHL
CCCc1nc(SC(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)[O-])n[n-]1	ZINC000408632145	557422740	/nfs/dbraw/zinc/42/27/40/557422740.db2.gz	NURPYRUNVRSBQE-DHDCSXOGSA-N	-2	3	434.861	4.797	40	5		IJBBHL
O=c1nc(C=Cc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)c([N+](=O)[O-])c([O-])[n-]1	ZINC000098035282	557032354	/nfs/dbraw/zinc/03/23/54/557032354.db2.gz	LDMFCUACZCHJEM-KHPPLWFESA-N	-2	3	449.850	4.527	40	5		IJBBHL