smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCn1c(=O)c2ccc(N(C)CC[NH+](C)C)c3c(=O)c4ccccc4n(c23)c1=O	ZINC000005581958	562944326	/nfs/dbraw/zinc/94/43/26/562944326.db2.gz	PLNMWNSPPNPJPB-UHFFFAOYSA-N	1	1	435.528	1.125	1	5		IDBFMO
Nc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1	ZINC000029125946	563074509	/nfs/dbraw/zinc/07/45/09/563074509.db2.gz	ARJKTLVBNOCOHR-OAHLLOKOSA-N	1	1	431.880	1.951	1	5		IDBFMO
Nc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1	ZINC000029125946	563074510	/nfs/dbraw/zinc/07/45/10/563074510.db2.gz	ARJKTLVBNOCOHR-OAHLLOKOSA-N	1	1	431.880	1.951	1	5		IDBFMO
O=C(O[C@@H]1C[C@@H]2[C@H]3CCC[N@H+]4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34)c1ccc(F)c([N+](=O)[O-])c1	ZINC000066065998	563157030	/nfs/dbraw/zinc/15/70/30/563157030.db2.gz	RZJQSNMDLPXBRA-DFNWWWCKSA-N	1	1	447.463	1.725	1	5		IDBFMO
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1)C(C)(C)C	ZINC000082152190	563173379	/nfs/dbraw/zinc/17/33/79/563173379.db2.gz	QAEZJDXRJBVTSY-XKGZKEIXSA-N	1	1	447.580	1.857	1	5		IDBFMO
CS(=O)(=O)Nc1ccc(CC[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000026717265	563035507	/nfs/dbraw/zinc/03/55/07/563035507.db2.gz	RVAHUUFAVZNTAL-UHFFFAOYSA-N	1	1	432.502	1.967	1	5		IDBFMO
Cn1nnnc1-c1ccc(CC(=O)N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000096938233	563199696	/nfs/dbraw/zinc/19/96/96/563199696.db2.gz	LHOUVQXXRFEYKL-UHFFFAOYSA-N	1	1	435.488	1.715	1	5		IDBFMO
Cn1nnc(-c2ccc(CC(=O)N3CC[NH+](CCc4ccc([N+](=O)[O-])cc4)CC3)cc2)n1	ZINC000096938238	563199731	/nfs/dbraw/zinc/19/97/31/563199731.db2.gz	XBBSCMQUFYSXQP-UHFFFAOYSA-N	1	1	435.488	1.715	1	5		IDBFMO
Cc1nnnn1-c1ccc(CC(=O)N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000096938232	563199747	/nfs/dbraw/zinc/19/97/47/563199747.db2.gz	OSVNJXOSFVZKDW-UHFFFAOYSA-N	1	1	435.488	1.808	1	5		IDBFMO
CN(C)CCn1c(=O)c2ccc(NCCC[NH+](C)C)c3c(=O)c4ccccc4n(c23)c1=O	ZINC000005580959	562944228	/nfs/dbraw/zinc/94/42/28/562944228.db2.gz	FUFIQEAPORJTAW-UHFFFAOYSA-N	1	1	435.528	1.491	1	5		IDBFMO
O=C(O[C@H]1C[C@@H]2[C@H]3CCC[N@H+]4CCC[C@@H](CN2C(=O)[C@@H]1O)[C@@H]34)c1ccc(F)c([N+](=O)[O-])c1	ZINC000066065999	563157023	/nfs/dbraw/zinc/15/70/23/563157023.db2.gz	RZJQSNMDLPXBRA-PJIJJOFYSA-N	1	1	447.463	1.725	1	5		IDBFMO
Cc1ncc([N+](=O)[O-])n1CCOC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000049036625	563136474	/nfs/dbraw/zinc/13/64/74/563136474.db2.gz	FFCGMLNKIITNDX-UHFFFAOYSA-N	1	1	432.437	1.763	1	5		IDBFMO