smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC/C=c1/[n-]c(=O)/c(=C/c2ccccc2[N+](=O)[O-])[nH]c1=O	ZINC000101631547	351783603	/nfs/dbraw/zinc/78/36/03/351783603.db2.gz	CROPTAWTPILLRP-REZFLJOXSA-N	-1	1	287.275	-0.009	40	5		CBBBMM
O=[N+]([O-])c1nn2c(c1[N+](=O)[O-])[N-][C@]1(O)C[C@H]2[C@H]2CO[C@@H]1O2	ZINC000014919853	285190931	/nfs/dbraw/zinc/19/09/31/285190931.db2.gz	KGKXAZIRYSAMNC-TZMRJROKSA-N	-1	1	299.199	-0.500	40	5		CBBBMM
CC/C=c1\[n-]c(=O)/c(=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O	ZINC000104203186	351789142	/nfs/dbraw/zinc/78/91/42/351789142.db2.gz	DJNUJEQJHKYEHT-ZDOOHRHUSA-N	-1	1	287.275	-0.009	40	5		CBBBMM
CC/C=c1\[n-]c(=O)/c(=C\c2ccc([N+](=O)[O-])cc2)[nH]c1=O	ZINC000104203189	351789941	/nfs/dbraw/zinc/78/99/41/351789941.db2.gz	DJNUJEQJHKYEHT-KBHQGDGFSA-N	-1	1	287.275	-0.009	40	5		CBBBMM
CC/C=c1/[n-]c(=O)/c(=C\c2ccc([N+](=O)[O-])cc2)[nH]c1=O	ZINC000017108906	278166178	/nfs/dbraw/zinc/16/61/78/278166178.db2.gz	DJNUJEQJHKYEHT-ZOADREODSA-N	-1	1	287.275	-0.009	40	5		CBBBMM
CC/C=c1/[n-]c(=O)/c(=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O	ZINC000017108910	351346364	/nfs/dbraw/zinc/34/63/64/351346364.db2.gz	DJNUJEQJHKYEHT-SOWAGGARSA-N	-1	1	287.275	-0.009	40	5		CBBBMM