smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(C=C(O)C(=O)Nc1nc([N+](=O)[O-])cs1)CO	ZINC000102957287	351786184	/nfs/dbraw/zinc/78/61/84/351786184.db2.gz	QUFCILCFDKWQFA-UHFFFAOYSA-N	0	2	273.226	-0.490	50	5		CBBALN
CCOC(=O)c1cnn2c1NNC([N+](=O)[O-])=C2O	ZINC000005905104	351323933	/nfs/dbraw/zinc/32/39/33/351323933.db2.gz	ZMGGRVPMEZMHIF-ZETCQYMHSA-N	0	2	255.190	-0.434	50	5		CBBALN
Cn1nnc(NS(=O)(=O)c2ccc(N)c([N+](=O)[O-])c2)n1	ZINC000127404144	351863352	/nfs/dbraw/zinc/86/33/52/351863352.db2.gz	PAVALRPKYVHKHF-UHFFFAOYSA-N	0	2	299.272	-0.499	50	5		CBBALN
O=c1[nH]nc(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)[nH]1	ZINC000097114229	351775711	/nfs/dbraw/zinc/77/57/11/351775711.db2.gz	ZNLSCGYRYSCNER-UHFFFAOYSA-N	0	2	277.196	-0.038	50	5		CBBALN
O=C(Cc1cccc([N+](=O)[O-])c1)NCCc1n[nH]c(=O)[nH]1	ZINC000075093028	351665727	/nfs/dbraw/zinc/66/57/27/351665727.db2.gz	YNQGRIGWIPVLHU-UHFFFAOYSA-N	0	2	291.267	-0.092	50	5		CBBALN
O=[N+]([O-])c1nonc1NCNc1nonc1[N+](=O)[O-]	ZINC000003898321	351315118	/nfs/dbraw/zinc/31/51/18/351315118.db2.gz	ZDTGCIXCIBMFJX-UHFFFAOYSA-N	0	2	272.137	-0.250	50	5		CBBALN
CCOC(=O)c1cnn2c1NNC([N+](=O)[O-])=C2O	ZINC000005905109	351324458	/nfs/dbraw/zinc/32/44/58/351324458.db2.gz	ZMGGRVPMEZMHIF-SSDOTTSWSA-N	0	2	255.190	-0.434	50	5		CBBALN
O=c1nc2nc3[nH]c4ccccc4n3nc-2c(=O)[nH]1	ZINC000002255772	304813693	/nfs/dbraw/zinc/81/36/93/304813693.db2.gz	QSEKHEREGZYEBM-UHFFFAOYSA-N	0	2	254.209	-0.193	50	5		CBBALN
O=C(Cc1cccc([N+](=O)[O-])c1)NCc1n[nH]c(=O)[nH]1	ZINC000078998500	351689383	/nfs/dbraw/zinc/68/93/83/351689383.db2.gz	SBMFHMVJYAXQJF-UHFFFAOYSA-N	0	2	277.240	-0.135	50	5		CBBALN