smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCn1c2ccccc2nc1-c1cc([N+](=O)[O-])ccc1O	ZINC000035188603	563839726	/nfs/dbraw/zinc/83/97/26/563839726.db2.gz	BYTMMNQWTBPGOK-UHFFFAOYSA-N	0	2	311.341	4.117	40	5		DIBBLN
C[C@H](OC(=S)Nc1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000005739085	181279121	/nfs/dbraw/zinc/27/91/21/181279121.db2.gz	UDGRWCAZNFIMRD-NSHDSACASA-N	0	2	302.355	4.069	40	5		DIBBLN
O=[N+]([O-])c1ccc(NCc2cc(Cl)c(O)c(Cl)c2)cc1	ZINC000408611504	257229143	/nfs/dbraw/zinc/22/91/43/257229143.db2.gz	SOFFJYXLYBMNMY-UHFFFAOYSA-N	0	2	313.140	4.219	40	5		DIBBLN
C[C@@H](OC(=S)Nc1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000005739282	181279031	/nfs/dbraw/zinc/27/90/31/181279031.db2.gz	UDGRWCAZNFIMRD-LLVKDONJSA-N	0	2	302.355	4.069	40	5		DIBBLN
CCc1cccc(CC)c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000005477423	181248022	/nfs/dbraw/zinc/24/80/22/181248022.db2.gz	AQRGSFPSHSYYTO-JLHYYAGUSA-N	0	2	324.380	4.372	40	5		DIBBLN
CCc1cccc(CC)c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000005477441	181247984	/nfs/dbraw/zinc/24/79/84/181247984.db2.gz	GKSOVDDSECEFQU-UHFFFAOYSA-N	0	2	312.369	4.280	40	5		DIBBLN