smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)NCC[NH+](C)C)o2)cc1	ZINC000002271497	264008619	/nfs/dbraw/zinc/00/86/19/264008619.db2.gz	CDXWELCFVLQJNU-FOWTUZBSSA-N	1	0	323.396	2.840	50	50		DFGARO
C/C=C1/C[N@+]2(C)CC[C@]34c5cccc(O)c5NC3=C(C=O)[C@H]1C[C@@H]42	ZINC000254615395	257213156	/nfs/dbraw/zinc/21/31/56/257213156.db2.gz	KXHTZJQVMGTREI-NBOCILFSSA-O	1	0	323.416	2.707	50	50		DFGARO
Cc1ccc2c(c1)C(=C(C#N)C#N)C(=O)N2CC[NH+]1CCCCC1	ZINC000002218456	264011367	/nfs/dbraw/zinc/01/13/67/264011367.db2.gz	UARQMLQQYNCNHA-UHFFFAOYSA-N	1	0	320.396	2.628	50	50		DFGARO
N#CC(C=C1C=CC=[NH+]1)=C1NC(c2ccc(O)cc2O)=CS1	ZINC000008709352	264020647	/nfs/dbraw/zinc/02/06/47/264020647.db2.gz	IYOPZCCCGVKRFN-WJYDFUCJSA-N	1	0	309.350	2.992	50	50		DFGARO
C/C=C1/C[N@@H+]2CC[C@@]34c5cccc(O)c5NC3=C(C=O)[C@H]1C[C@H]24	ZINC000004311730	181096112	/nfs/dbraw/zinc/09/61/12/181096112.db2.gz	JDOFCMASVRMYJU-BPRUDDEBSA-N	1	0	308.381	2.563	50	50		DFGARO
C/C=C1/C[N@@+]2(C)CC[C@]34c5cccc(O)c5NC3=C(C=O)[C@H]1C[C@@H]42	ZINC000254615396	257213232	/nfs/dbraw/zinc/21/32/32/257213232.db2.gz	KXHTZJQVMGTREI-OSOJAXDKSA-O	1	0	323.416	2.707	50	50		DFGARO