smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([NH+]=C2NC(=[NH2+])c3ccccc32)cc1C	ZINC000000090892	178359349	/nfs/dbraw/zinc/35/93/49/178359349.db2.gz	JXKGRWTUSHVHIN-UHFFFAOYSA-N	2	2	249.317	3.310	50	30		BGEALP
Cc1ccc(C)c([NH+]=C2NC(=[NH2+])c3ccccc32)c1	ZINC000000126802	385241939	/nfs/dbraw/zinc/24/19/39/385241939.db2.gz	RDITYTZQXVZNOJ-UHFFFAOYSA-N	2	2	249.317	3.101	50	30		BGEALP
CC1(C)CC(/[NH+]=C/c2ccccc2)CC(C)(C)[NH2+]1	ZINC000000348870	342684583	/nfs/dbraw/zinc/68/45/83/342684583.db2.gz	YVVVYQQFDXOGPE-SFQUDFHCSA-N	2	2	244.382	3.415	50	30		BGEALP
CCc1ccc([NH+]=C2NC(=[NH2+])c3ccccc32)cc1	ZINC000013114113	371008302	/nfs/dbraw/zinc/00/83/02/371008302.db2.gz	SLJCMMGFIBWMMQ-UHFFFAOYSA-N	2	2	249.317	3.256	50	30		BGEALP
Cc1ccc([NH+]=C2NC(=[NH2+])c3ccccc32)c(C)c1	ZINC000016183798	178359942	/nfs/dbraw/zinc/35/99/42/178359942.db2.gz	AGYIICBPHFMLLK-UHFFFAOYSA-N	2	2	249.317	3.101	50	30		BGEALP
Cc1cccc([NH+]=C2NC(=[NH2+])c3ccccc32)c1C	ZINC000018066736	358020101	/nfs/dbraw/zinc/02/01/01/358020101.db2.gz	ZSNJAZZYJQUFMN-UHFFFAOYSA-N	2	2	249.317	3.101	50	30		BGEALP
CC1(C)CC(/[NH+]=C\c2ccccc2)CC(C)(C)[NH2+]1	ZINC000103945266	410918836	/nfs/dbraw/zinc/91/88/36/410918836.db2.gz	YVVVYQQFDXOGPE-ATVHPVEESA-N	2	2	244.382	3.415	50	30		BGEALP