smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+]CCCN[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)[O-]	ZINC000005258398	435986417	/nfs/dbraw/zinc/98/64/17/435986417.db2.gz	AKDZWIIMFADRBZ-ZDUSSCGKSA-N	0	3	338.364	0.884	40	5		ECBBHN
C[NH2+]CCCN[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)[O-]	ZINC000005258399	210427235	/nfs/dbraw/zinc/42/72/35/210427235.db2.gz	AKDZWIIMFADRBZ-CYBMUJFWSA-N	0	3	338.364	0.884	40	5		ECBBHN
CN(C)CCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000013669509	436065344	/nfs/dbraw/zinc/06/53/44/436065344.db2.gz	QIXLMDAWYKJAIS-UHFFFAOYSA-N	0	3	344.393	0.039	40	5		ECBBHN
N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCN(c2ncccn2)CC1	ZINC000225238340	564132325	/nfs/dbraw/zinc/13/23/25/564132325.db2.gz	NEBLYUPTQITBTG-UHFFFAOYSA-N	0	3	328.336	0.949	40	5		ECBBHN
C[C@@]1(NCCNCc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1	ZINC000575421397	438748327	/nfs/dbraw/zinc/74/83/27/438748327.db2.gz	QEEQIUXGXHYELU-CQSZACIVSA-N	0	3	327.406	0.851	40	5		ECBBHN
C[C@]1(NCCNCc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1	ZINC000575421396	438748722	/nfs/dbraw/zinc/74/87/22/438748722.db2.gz	QEEQIUXGXHYELU-AWEZNQCLSA-N	0	3	327.406	0.851	40	5		ECBBHN
CN(C)CCn1ccc2nc3ccn(N(C)C)c(=O)c3cc2c1=O	ZINC000040398653	213297753	/nfs/dbraw/zinc/29/77/53/213297753.db2.gz	MAMDGKGYMABYOH-UHFFFAOYSA-N	0	3	327.388	0.471	40	5		ECBBHN