smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3csc(C)n3)c(=O)n2C2CC[NH+](C)CC2)CC1	ZINC000513029138	1068190158	/nfs/dbraw/zinc/19/01/58/1068190158.db2.gz	INFVJRSDYGTMNI-UHFFFAOYSA-N	2	1	486.667	0.609	20	30		JCEDMP
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3F)c(=O)n2C2CC[NH+](C)CC2)CC1	ZINC000513042077	1068190638	/nfs/dbraw/zinc/19/06/38/1068190638.db2.gz	POYUFZXVPMPNQJ-UHFFFAOYSA-N	2	1	483.613	0.983	20	30		JCEDMP
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3cccs3)c(=O)n2C2CC[NH+](C)CC2)CC1	ZINC000514341417	1068569574	/nfs/dbraw/zinc/56/95/74/1068569574.db2.gz	MZLREPKFOKZZCH-UHFFFAOYSA-N	2	1	471.652	0.905	20	30		JCEDMP
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2CC(C)(C)C[NH+](C)C)CC1	ZINC000514462277	1068663869	/nfs/dbraw/zinc/66/38/69/1068663869.db2.gz	WPHKXUBPYTXGPT-UHFFFAOYSA-N	2	1	482.654	0.560	20	30		JCEDMP
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3ccncc3)c(=O)n2C2CC[NH+](C)CC2)CC1	ZINC000516371626	1068948669	/nfs/dbraw/zinc/94/86/69/1068948669.db2.gz	HGVBOEPXMFYQFS-UHFFFAOYSA-N	2	1	466.611	0.239	20	30		JCEDMP
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2C2CC[NH+](C)CC2)CC1	ZINC000516372397	1068948704	/nfs/dbraw/zinc/94/87/04/1068948704.db2.gz	DRTNDXJQDGLPAI-UHFFFAOYSA-N	2	1	465.623	0.844	20	30		JCEDMP
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3ccsc3)c(=O)n2C2CC[NH+](C)CC2)CC1	ZINC000516375601	1068950085	/nfs/dbraw/zinc/95/00/85/1068950085.db2.gz	BYHSZDQIQINWIZ-UHFFFAOYSA-N	2	1	471.652	0.905	20	30		JCEDMP
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(F)cc3)c(=O)n2C2CC[NH+](C)CC2)CC1	ZINC000516828654	1069036899	/nfs/dbraw/zinc/03/68/99/1069036899.db2.gz	YGGHEEWZHAPDGP-UHFFFAOYSA-N	2	1	483.613	0.983	20	30		JCEDMP
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)cc3)c(=O)n2C2CC[NH+](C)CC2)CC1	ZINC000516831703	1069035347	/nfs/dbraw/zinc/03/53/47/1069035347.db2.gz	PPPPHBPMSOSCQG-UHFFFAOYSA-N	2	1	495.649	0.852	20	30		JCEDMP
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3OC)c(=O)n2C2CC[NH+](C)CC2)CC1	ZINC000516832232	1069035282	/nfs/dbraw/zinc/03/52/82/1069035282.db2.gz	ZTZWMPKFELFJHH-UHFFFAOYSA-N	2	1	495.649	0.852	20	30		JCEDMP
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)o3)c(=O)n2C2CC[NH+](C)CC2)CC1	ZINC000517983634	1069174031	/nfs/dbraw/zinc/17/40/31/1069174031.db2.gz	ZUHCFXAEBIONGA-UHFFFAOYSA-N	2	1	469.611	0.745	20	30		JCEDMP
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccn3)c(=O)n2C2CC[NH+](C)CC2)CC1	ZINC000518712496	1069285010	/nfs/dbraw/zinc/28/50/10/1069285010.db2.gz	AWJOKNJJOYTZLV-UHFFFAOYSA-N	2	1	466.611	0.239	20	30		JCEDMP
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3cscn3)c(=O)n2C2CC[NH+](C)CC2)CC1	ZINC000518716261	1069288136	/nfs/dbraw/zinc/28/81/36/1069288136.db2.gz	JIVIPIHIGONJMC-UHFFFAOYSA-N	2	1	472.640	0.300	20	30		JCEDMP
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3ccco3)c(=O)n2C2CC[NH+](C)CC2)CC1	ZINC000518723194	1069286913	/nfs/dbraw/zinc/28/69/13/1069286913.db2.gz	HEQLFCXQXPWUDB-UHFFFAOYSA-N	2	1	455.584	0.437	20	30		JCEDMP
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OC)c3)c(=O)n2C2CC[NH+](C)CC2)CC1	ZINC000518723424	1069286785	/nfs/dbraw/zinc/28/67/85/1069286785.db2.gz	ZNWLACOPYACRTC-UHFFFAOYSA-N	2	1	495.649	0.852	20	30		JCEDMP
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(F)c3)c(=O)n2C2CC[NH+](C)CC2)CC1	ZINC000518725883	1069287555	/nfs/dbraw/zinc/28/75/55/1069287555.db2.gz	BIQBMAIQHUXERO-UHFFFAOYSA-N	2	1	483.613	0.983	20	30		JCEDMP
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3ccoc3)c(=O)n2C2CC[NH+](C)CC2)CC1	ZINC000727418330	1069658783	/nfs/dbraw/zinc/65/87/83/1069658783.db2.gz	QAJIAWWOGCVAEO-UHFFFAOYSA-N	2	1	455.584	0.437	20	30		JCEDMP
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3cnc(C)s3)c(=O)n2C2CC[NH+](C)CC2)CC1	ZINC000920399073	1068855092	/nfs/dbraw/zinc/85/50/92/1068855092.db2.gz	LWRYAJNOHPSEGD-UHFFFAOYSA-N	2	1	486.667	0.609	20	30		JCEDMP
CC[NH+]1CCN(C(=O)C(C#N)=c2sc(=Cc3c(C)nn(C)c3C)c(=O)n2C2CC[NH+](C)CC2)CC1	ZINC000920400092	1068855421	/nfs/dbraw/zinc/85/54/21/1068855421.db2.gz	ZMHYHIRWDGWXHI-UHFFFAOYSA-N	2	1	497.669	0.194	20	30		JCEDMP
CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C(=O)OCC	ZINC001168312286	1070059553	/nfs/dbraw/zinc/05/95/53/1070059553.db2.gz	OFYCQGWJPPUSRC-FOIPXRHGSA-N	2	1	488.651	0.255	20	30		JCEDMP