smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=NNC(=O)C[N+](C)(C)C)c1ccccc1Oc1cccc(Cl)c1	ZINC000884374708	717192239	/nfs/dbraw/zinc/19/22/39/717192239.db2.gz	ZSNSWMGBJZMLEM-UHFFFAOYSA-O	1	0	360.865	3.679	20	50		FHGDRO
C[N+](C)(C)CC(=O)NN=Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1	ZINC000818204885	717191990	/nfs/dbraw/zinc/19/19/90/717191990.db2.gz	PGPUTJOBWIEKQY-UHFFFAOYSA-O	1	0	370.420	3.590	20	50		FHGDRO
CCCC(=NNC(=O)C[N+](C)(C)C)c1ccc(Oc2ccccc2)cc1	ZINC000814694281	717191116	/nfs/dbraw/zinc/19/11/16/717191116.db2.gz	CTBDYMKJSNSPLQ-UHFFFAOYSA-O	1	0	354.474	3.806	20	50		FHGDRO
C[N+](C)(C)CC(=O)NN=C1CCC(c2cccc(C(F)(F)F)c2)CC1	ZINC000794455294	717189228	/nfs/dbraw/zinc/18/92/28/717189228.db2.gz	DXGNELDXZIUOFW-UHFFFAOYSA-O	1	0	356.412	3.541	20	50		FHGDRO
C[N+](C)(C)CC(=O)NN=Cc1c2ccccc2c(Cl)c2ccccc12	ZINC000916270380	717193328	/nfs/dbraw/zinc/19/33/28/717193328.db2.gz	AZGACRDABPGHFU-UHFFFAOYSA-O	1	0	354.861	3.803	20	50		FHGDRO
Cc1ccc(Cl)cc1Oc1ccccc1C=NNC(=O)C[N+](C)(C)C	ZINC000884374625	717192348	/nfs/dbraw/zinc/19/23/48/717192348.db2.gz	WXPAZTBEDBNKTC-UHFFFAOYSA-O	1	0	360.865	3.597	20	50		FHGDRO
C[N+](C)(C)CC(=O)NN=C1CCCC[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000794454654	717188868	/nfs/dbraw/zinc/18/88/68/717188868.db2.gz	ASOXSXZTBZVAFL-HNNXBMFYSA-O	1	0	356.412	3.541	20	50		FHGDRO
CC(C)CC(Cc1ccc(Cl)cc1Cl)=NNC(=O)C[N+](C)(C)C	ZINC000794455364	717189224	/nfs/dbraw/zinc/18/92/24/717189224.db2.gz	FOIKHEDGXHUAGR-UHFFFAOYSA-O	1	0	359.321	3.760	20	50		FHGDRO
C[N+](C)(C)CC(=O)NN=C1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000794454663	717188800	/nfs/dbraw/zinc/18/88/00/717188800.db2.gz	ASOXSXZTBZVAFL-OAHLLOKOSA-O	1	0	356.412	3.541	20	50		FHGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(-c2ccc(Cl)cc2F)s1	ZINC000794457896	717190540	/nfs/dbraw/zinc/19/05/40/717190540.db2.gz	WIHFQKZTFZDHDL-UHFFFAOYSA-O	1	0	368.885	3.754	20	50		FHGDRO
C[N+](C)(C)CC(=O)NN=C(CC12CC3CC(CC(C3)C1)C2)c1ccccc1	ZINC000767032215	717188806	/nfs/dbraw/zinc/18/88/06/717188806.db2.gz	BWRLYLJTMPDVCE-UHFFFAOYSA-O	1	0	368.545	3.820	20	50		FHGDRO
CC(=NNC(=O)C[N+](C)(C)C)c1ccc(-c2ccc(Cl)cc2)s1	ZINC000917565756	717194165	/nfs/dbraw/zinc/19/41/65/717194165.db2.gz	VTCGPBCRSIOWLG-UHFFFAOYSA-O	1	0	350.895	3.615	20	50		FHGDRO
C[N+](C)(C)CC(=O)NN=C1CCCCC[C@@H]1c1ccccc1C(F)(F)F	ZINC000794455361	717189335	/nfs/dbraw/zinc/18/93/35/717189335.db2.gz	FNVPUQNRTZTCMP-OAHLLOKOSA-O	1	0	370.439	3.932	20	50		FHGDRO
C[N+](C)(C)CC(=O)NN=C1CCCCC[C@H]1c1ccccc1C(F)(F)F	ZINC000794455353	717189300	/nfs/dbraw/zinc/18/93/00/717189300.db2.gz	FNVPUQNRTZTCMP-HNNXBMFYSA-O	1	0	370.439	3.932	20	50		FHGDRO