smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([N+](=O)[O-])nn1CC(=O)NCCC[NH+]1CCOCC1	ZINC000019288313	182112849	/nfs/dbraw/zinc/11/28/49/182112849.db2.gz	BATGESBONXXJBN-UHFFFAOYSA-N	1	1	311.342	-0.062	50	5		DBBAMO
O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1COCC[NH2+]1	ZINC000236412776	375320508	/nfs/dbraw/zinc/32/05/08/375320508.db2.gz	BIDBKTBKHBGZDV-VIFPVBQESA-N	1	1	301.324	-0.139	50	5		DBBAMO
C[NH+]1CCN(c2nc(N3CCOCC3)nc(N)c2[N+](=O)[O-])CC1	ZINC000005051115	273900785	/nfs/dbraw/zinc/90/07/85/273900785.db2.gz	XFAANISYIQKPDB-UHFFFAOYSA-N	1	1	323.357	-0.445	50	5		DBBAMO
COCCNc1nc(N)c([N+](=O)[O-])c(N2CC[NH+](C)CC2)n1	ZINC000005164817	392572233	/nfs/dbraw/zinc/57/22/33/392572233.db2.gz	DXWFFIXJRALDRD-UHFFFAOYSA-N	1	1	311.346	-0.223	50	5		DBBAMO
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH2+]C[C@H]1CO	ZINC000725374095	664888860	/nfs/dbraw/zinc/88/88/60/664888860.db2.gz	HIDQXZZPGUTPTP-VIFPVBQESA-N	1	1	301.324	-0.450	50	5		DBBAMO
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1CO	ZINC000725374090	664888810	/nfs/dbraw/zinc/88/88/10/664888810.db2.gz	HIDQXZZPGUTPTP-SECBINFHSA-N	1	1	301.324	-0.450	50	5		DBBAMO
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2COCC[NH2+]2)cc1	ZINC000236407110	375320455	/nfs/dbraw/zinc/32/04/55/375320455.db2.gz	WGTXQPOQDQJHGG-VIFPVBQESA-N	1	1	301.324	-0.139	50	5		DBBAMO
C[NH+]1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCOCC3)n2)CC1	ZINC000005182356	277113804	/nfs/dbraw/zinc/11/38/04/277113804.db2.gz	DRNLIUJRYCKPKB-UHFFFAOYSA-N	1	1	323.357	-0.445	50	5		DBBAMO
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH2+][C@@H](CCO)C1	ZINC000725373111	803930205	/nfs/dbraw/zinc/93/02/05/803930205.db2.gz	LRBLIACICMESCV-JTQLQIEISA-N	1	1	315.351	-0.060	50	5		DBBAMO
CNC(=O)C[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000025235614	377217247	/nfs/dbraw/zinc/21/72/47/377217247.db2.gz	SKRFPPJZNPEYFC-UHFFFAOYSA-N	1	1	324.341	-0.882	50	5		DBBAMO
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH2+][C@H](CCO)C1	ZINC000725373112	803930020	/nfs/dbraw/zinc/93/00/20/803930020.db2.gz	LRBLIACICMESCV-SNVBAGLBSA-N	1	1	315.351	-0.060	50	5		DBBAMO
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2CO)cc1	ZINC000725373220	803930298	/nfs/dbraw/zinc/93/02/98/803930298.db2.gz	DDFQZLZTOJNJJF-JTQLQIEISA-N	1	1	301.324	-0.450	50	5		DBBAMO
O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1COCC[NH2+]1	ZINC000236412764	375319823	/nfs/dbraw/zinc/31/98/23/375319823.db2.gz	BIDBKTBKHBGZDV-SECBINFHSA-N	1	1	301.324	-0.139	50	5		DBBAMO
CC[NH+]1CCN(c2nc(N)c([N+](=O)[O-])c(NCCO)n2)CC1	ZINC000005516031	375322864	/nfs/dbraw/zinc/32/28/64/375322864.db2.gz	DXOHYHZLVFPMRK-UHFFFAOYSA-N	1	1	311.346	-0.487	50	5		DBBAMO
O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2CO)cc1	ZINC000725373221	803929930	/nfs/dbraw/zinc/92/99/30/803929930.db2.gz	DDFQZLZTOJNJJF-SNVBAGLBSA-N	1	1	301.324	-0.450	50	5		DBBAMO
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2COCC[NH2+]2)cc1	ZINC000236407083	375319768	/nfs/dbraw/zinc/31/97/68/375319768.db2.gz	WGTXQPOQDQJHGG-SECBINFHSA-N	1	1	301.324	-0.139	50	5		DBBAMO
CC[NH+]1CCN(c2nc(NCCO)nc(N)c2[N+](=O)[O-])CC1	ZINC000004305992	382646475	/nfs/dbraw/zinc/64/64/75/382646475.db2.gz	OQEQGJIHXTULMM-UHFFFAOYSA-N	1	1	311.346	-0.487	50	5		DBBAMO