smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1CCc2c(Cl)cccc2N1CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000013803890	563008234	/nfs/dbraw/zinc/00/82/34/563008234.db2.gz	BKAFXWBJWBYVIW-UHFFFAOYSA-N	0	1	428.920	3.740	1	5		IHBFMN
CN1CCN(c2cnc3cc(C(F)(F)F)cc(OCc4cccc([N+](=O)[O-])c4)c3n2)CC1	ZINC000040878508	563109556	/nfs/dbraw/zinc/10/95/56/563109556.db2.gz	JJFOOFWKIJYIQQ-UHFFFAOYSA-N	0	1	447.417	3.888	1	5		IHBFMN
COc1cc2c(cc1OC)[C@@H](c1ccc([N+](=O)[O-])cc1)N(C(=O)CN1CCCCC1)CC2	ZINC000035034001	563088876	/nfs/dbraw/zinc/08/88/76/563088876.db2.gz	XREJKRJCFOAFLA-XMMPIXPASA-N	0	1	439.512	3.572	1	5		IHBFMN
COc1cc2c(cc1OC)[C@H](c1ccc([N+](=O)[O-])cc1)N(C(=O)CN1CCCCC1)CC2	ZINC000035033999	563088863	/nfs/dbraw/zinc/08/88/63/563088863.db2.gz	XREJKRJCFOAFLA-DEOSSOPVSA-N	0	1	439.512	3.572	1	5		IHBFMN
CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4ccccc4[N+](=O)[O-])c3n2)CC1	ZINC000040863351	563108466	/nfs/dbraw/zinc/10/84/66/563108466.db2.gz	PZFVMYNIJWGHAE-UHFFFAOYSA-N	0	1	446.433	3.921	1	5		IHBFMN
CCc1cc(NCc2ccc3c(c2)c(=O)c2ccccc2cc3-c2nn[nH]n2)n2nccc2n1	ZINC000013742173	563003416	/nfs/dbraw/zinc/00/34/16/563003416.db2.gz	ANIKSCLODKRPIM-UHFFFAOYSA-N	0	1	448.490	3.751	1	5		IHBFMN
CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4ccc([N+](=O)[O-])cc4)c3n2)CC1	ZINC000040878505	563109603	/nfs/dbraw/zinc/10/96/03/563109603.db2.gz	IGRZKHDBESHLNL-UHFFFAOYSA-N	0	1	446.433	3.921	1	5		IHBFMN
COc1cc2c(cc1OC)[C@@H](c1cccc([N+](=O)[O-])c1)N(C(=O)CN1CCCCC1)CC2	ZINC000035034044	563089034	/nfs/dbraw/zinc/08/90/34/563089034.db2.gz	VHBBZNDIEFVETG-XMMPIXPASA-N	0	1	439.512	3.572	1	5		IHBFMN
CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3n2)CC1	ZINC000040393194	563100146	/nfs/dbraw/zinc/10/01/46/563100146.db2.gz	TUTMGFOSDQPABL-UHFFFAOYSA-N	0	1	446.433	3.921	1	5		IHBFMN
O=c1c2cnc3ccccc3c2ncn1CCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000072106295	563163097	/nfs/dbraw/zinc/16/30/97/563163097.db2.gz	HTJCHPOVCTVQAZ-UHFFFAOYSA-N	0	1	433.943	3.810	1	5		IHBFMN
O=[N+]([O-])c1ccc2c(c1)c(OCc1ccccc1)nn2CCOCCN1CCSCC1	ZINC000066251576	563160017	/nfs/dbraw/zinc/16/00/17/563160017.db2.gz	NXWLZDOTTFHALU-UHFFFAOYSA-N	0	1	442.541	3.589	1	5		IHBFMN
Cc1ccc(-c2nc3c([nH]2)c(Br)cc2c3C(=O)NC(=O)C2(C)C)cc1[N+](=O)[O-]	ZINC000045287688	563128510	/nfs/dbraw/zinc/12/85/10/563128510.db2.gz	WSOKCMVNHOQAHA-UHFFFAOYSA-N	0	1	443.257	3.757	1	5		IHBFMN
Cc1ccc(-c2nc3c([nH]2)c2c(cc3Br)C(C)(C)C(=O)NC2=O)cc1[N+](=O)[O-]	ZINC000045287688	563128513	/nfs/dbraw/zinc/12/85/13/563128513.db2.gz	WSOKCMVNHOQAHA-UHFFFAOYSA-N	0	1	443.257	3.757	1	5		IHBFMN
Cc1ccc2c(c1)ncc1c(=O)n(CCCN3CCN(c4ccc(F)cc4)CC3)cnc21	ZINC000072108598	563163168	/nfs/dbraw/zinc/16/31/68/563163168.db2.gz	FBHOQBOSOGXASZ-UHFFFAOYSA-N	0	1	431.515	3.605	1	5		IHBFMN
CN1CCN(c2nc3ccc(Cl)cc3c(NCCc3ccc([N+](=O)[O-])cc3)n2)CC1	ZINC000045335658	563131394	/nfs/dbraw/zinc/13/13/94/563131394.db2.gz	NIVXGELVJXSEMX-UHFFFAOYSA-N	0	1	426.908	3.598	1	5		IHBFMN
O=c1c2cnc3ccccc3c2ncn1CCCN1CCN(c2ccc(Cl)cc2)CC1	ZINC000072106386	563163086	/nfs/dbraw/zinc/16/30/86/563163086.db2.gz	ZJXYDEOPAIESET-UHFFFAOYSA-N	0	1	433.943	3.810	1	5		IHBFMN
COc1cc2c(cc1OC)[C@H](c1cccc([N+](=O)[O-])c1)N(C(=O)CN1CCCCC1)CC2	ZINC000035034042	563089002	/nfs/dbraw/zinc/08/90/02/563089002.db2.gz	VHBBZNDIEFVETG-DEOSSOPVSA-N	0	1	439.512	3.572	1	5		IHBFMN
CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)ccc3n2)CC1	ZINC000020108612	563023660	/nfs/dbraw/zinc/02/36/60/563023660.db2.gz	OAMLKUVWDTUDJX-UHFFFAOYSA-N	0	1	449.511	3.854	1	5		IHBFMN
O=C(NCCCCN1CCN(c2nsc3ccccc32)CC1)c1ccccc1[N+](=O)[O-]	ZINC000013747132	563004162	/nfs/dbraw/zinc/00/41/62/563004162.db2.gz	GMFZHSHZWZQXBX-UHFFFAOYSA-N	0	1	439.541	3.537	1	5		IHBFMN
CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ncccc2c3=O)c1	ZINC000013781327	563006617	/nfs/dbraw/zinc/00/66/17/563006617.db2.gz	NTBGNSLILYZHOK-UHFFFAOYSA-N	0	1	447.491	3.960	1	5		IHBFMN
O=[N+]([O-])c1cc(O)c2c(c1)S(=O)(=O)N=C(Nc1ccccc1Oc1ccccc1)N2	ZINC000006718565	562948238	/nfs/dbraw/zinc/94/82/38/562948238.db2.gz	YRQLRCRBEYSAIN-UHFFFAOYSA-N	0	1	426.410	3.675	1	5		IHBFMN
CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc(F)c([N+](=O)[O-])c4)ccc3n2)CC1	ZINC000020108683	563023691	/nfs/dbraw/zinc/02/36/91/563023691.db2.gz	PZAQNIZIKBEVSF-UHFFFAOYSA-N	0	1	437.475	3.985	1	5		IHBFMN