smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+]1(CCCl)CCc2cccc([N+](=O)[O-])c2C1	ZINC000001642970	717089409	/nfs/dbraw/zinc/08/94/09/717089409.db2.gz	YGKFDDFQNJFDJZ-UHFFFAOYSA-N	1	0	255.725	2.336	1	50		CEGFRO
C[N@+]1(CCCl)CCc2cc([N+](=O)[O-])ccc2C1	ZINC000253693066	717167899	/nfs/dbraw/zinc/16/78/99/717167899.db2.gz	UZKPCLGMJYNEMU-OAHLLOKOSA-N	1	0	255.725	2.336	1	50		CEGFRO
Cn1c(C[N+](C)(CCCl)CCCl)ccc1[N+](=O)[O-]	ZINC000043860725	717129325	/nfs/dbraw/zinc/12/93/25/717129325.db2.gz	NYXXKBXYYVFLGG-UHFFFAOYSA-N	1	0	295.190	2.358	1	50		CEGFRO
C[N@@+]1(CCCl)CCc2ccc([N+](=O)[O-])cc2C1	ZINC000253632991	717166311	/nfs/dbraw/zinc/16/63/11/717166311.db2.gz	KAEAFOQFIUAMAM-HNNXBMFYSA-N	1	0	255.725	2.336	1	50		CEGFRO
Cn1ccc(C[N+](C)(CCCl)CCCl)c1[N+](=O)[O-]	ZINC000043356701	717128915	/nfs/dbraw/zinc/12/89/15/717128915.db2.gz	WBMVHTRWVIBOOR-UHFFFAOYSA-N	1	0	295.190	2.358	1	50		CEGFRO
C[N@+]1(CCCl)CCc2cccc([N+](=O)[O-])c2C1	ZINC000253694720	717167732	/nfs/dbraw/zinc/16/77/32/717167732.db2.gz	YGKFDDFQNJFDJZ-OAHLLOKOSA-N	1	0	255.725	2.336	1	50		CEGFRO
C[N+]1(CCCl)CCc2cc([N+](=O)[O-])ccc2C1	ZINC000001642971	717089114	/nfs/dbraw/zinc/08/91/14/717089114.db2.gz	UZKPCLGMJYNEMU-UHFFFAOYSA-N	1	0	255.725	2.336	1	50		CEGFRO
C[N@@+]1(CCCl)CCc2cc([N+](=O)[O-])ccc2C1	ZINC000253693063	717167782	/nfs/dbraw/zinc/16/77/82/717167782.db2.gz	UZKPCLGMJYNEMU-HNNXBMFYSA-N	1	0	255.725	2.336	1	50		CEGFRO
O=C(N[C@H]1C[N+]2(CCl)CCC1CC2)c1ccccc1F	ZINC000474609945	717182695	/nfs/dbraw/zinc/18/26/95/717182695.db2.gz	XVCUYFWAEUVEHH-MWCFJMDPSA-O	1	0	297.781	2.361	1	50		CEGFRO
C[N@+]1(CCCl)CCc2ccc([N+](=O)[O-])cc2C1	ZINC000253632993	717166295	/nfs/dbraw/zinc/16/62/95/717166295.db2.gz	KAEAFOQFIUAMAM-OAHLLOKOSA-N	1	0	255.725	2.336	1	50		CEGFRO
C[N+]1(CCCl)CCc2ccc([N+](=O)[O-])cc2C1	ZINC000001642969	717089431	/nfs/dbraw/zinc/08/94/31/717089431.db2.gz	KAEAFOQFIUAMAM-UHFFFAOYSA-N	1	0	255.725	2.336	1	50		CEGFRO
C[N@@+]1(CCCl)CCc2cccc([N+](=O)[O-])c2C1	ZINC000253694711	717167830	/nfs/dbraw/zinc/16/78/30/717167830.db2.gz	YGKFDDFQNJFDJZ-HNNXBMFYSA-N	1	0	255.725	2.336	1	50		CEGFRO