smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#CC(C#N)=Cc1ccccc1OCc1ccc(C(=O)[O-])cc1	ZINC000197739732	959631454	/nfs/dbraw/zinc/63/14/54/959631454.db2.gz	LYNIKYWTPMHXMS-UHFFFAOYSA-N	-1	0	304.305	3.394	40	50		DGGBRM
CC(C)NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000408777377	973925919	/nfs/dbraw/zinc/92/59/19/973925919.db2.gz	ZHXFMHKUWNDOHK-XFXZXTDPSA-N	-1	0	324.336	3.076	40	50		DGGBRM
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(C(=O)[O-])cc1	ZINC000212117615	967687652	/nfs/dbraw/zinc/68/76/52/967687652.db2.gz	TXKXTIANLFQWLM-GDNBJRDFSA-N	-1	0	306.321	3.239	40	50		DGGBRM
N#C/C(=C\c1ccc(C(=O)[O-])cc1)C(=O)Nc1ccccc1F	ZINC000006209402	948770575	/nfs/dbraw/zinc/77/05/75/948770575.db2.gz	KMGLBICYAYWLSS-UKTHLTGXSA-N	-1	0	310.284	3.070	40	50		DGGBRM
CC(C)NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)[O-])cc2)o1	ZINC000408771146	973925640	/nfs/dbraw/zinc/92/56/40/973925640.db2.gz	DKJBZDTZSLGPNU-ZROIWOOFSA-N	-1	0	324.336	3.076	40	50		DGGBRM
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(C(=O)[O-])c1	ZINC000408542797	953395036	/nfs/dbraw/zinc/39/50/36/953395036.db2.gz	LCSIOMJMNJZPTF-JYRVWZFOSA-N	-1	0	310.284	3.070	40	50		DGGBRM
N#CC(C#N)=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000408864467	973925480	/nfs/dbraw/zinc/92/54/80/973925480.db2.gz	WARVULJEXUPBPQ-UHFFFAOYSA-N	-1	0	304.305	3.394	40	50		DGGBRM
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)[O-])cc2)cc1	ZINC000016157362	957098127	/nfs/dbraw/zinc/09/81/27/957098127.db2.gz	CNSVEGHUKWHXQZ-GDNBJRDFSA-N	-1	0	306.321	3.239	40	50		DGGBRM