smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1cc(C(=O)[C@@H](C#N)c2nc(-c3ccccc3)cs2)c2ccccc21	ZINC000051533519	568066153	/nfs/dbraw/zinc/06/61/53/568066153.db2.gz	FUOQGAZVUYZGFO-QGZVFWFLSA-N	0	2	371.465	5.275	20	30		FKEDLN
CCn1cc(C(=O)[C@H](C#N)c2nc(-c3ccccc3)cs2)c2ccccc21	ZINC000051533520	568066163	/nfs/dbraw/zinc/06/61/63/568066163.db2.gz	FUOQGAZVUYZGFO-KRWDZBQOSA-N	0	2	371.465	5.275	20	30		FKEDLN
N#C[C@@H](C(=O)c1cnc2ccsc2c1)c1nc2cc(Cl)ccc2s1	ZINC000525796124	568273975	/nfs/dbraw/zinc/27/39/75/568273975.db2.gz	BDTNMNSBIVMIGQ-NSHDSACASA-N	0	2	369.858	5.049	20	30		FKEDLN
CC(C)c1ccc2occ(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)c2c1	ZINC000553992790	568402594	/nfs/dbraw/zinc/40/25/94/568402594.db2.gz	NNUNEAWCLMRZGX-HNNXBMFYSA-N	0	2	372.346	5.460	20	30		FKEDLN
CC(C)c1ccc2occ(C(=O)C(C#N)c3ccc(C(F)(F)F)cn3)c2c1	ZINC000553992795	568402570	/nfs/dbraw/zinc/40/25/70/568402570.db2.gz	NNUNEAWCLMRZGX-OAHLLOKOSA-N	0	2	372.346	5.460	20	30		FKEDLN
Cc1ccc(-c2csc(C(C#N)C(=O)c3cc4nc(C)ccc4o3)n2)cc1	ZINC000556057437	568427656	/nfs/dbraw/zinc/42/76/56/568427656.db2.gz	CXBOAIOTKIBUIH-HNNXBMFYSA-N	0	2	373.437	5.058	20	30		FKEDLN
Cc1ccc(-c2csc(C(C#N)C(=O)c3cc4nc(C)ccc4o3)n2)cc1	ZINC000556057438	568427733	/nfs/dbraw/zinc/42/77/33/568427733.db2.gz	CXBOAIOTKIBUIH-OAHLLOKOSA-N	0	2	373.437	5.058	20	30		FKEDLN
Cc1ccc(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)c(C2CC2)n1	ZINC000556480104	568435948	/nfs/dbraw/zinc/43/59/48/568435948.db2.gz	MWLXPODWENFSSR-AWEZNQCLSA-N	0	2	367.861	5.021	20	30		FKEDLN
Cc1ccc(C(=O)[C@H](C#N)c2nc3cc(Cl)ccc3s2)c(C2CC2)n1	ZINC000556480104	568435947	/nfs/dbraw/zinc/43/59/47/568435947.db2.gz	MWLXPODWENFSSR-AWEZNQCLSA-N	0	2	367.861	5.021	20	30		FKEDLN
Cc1ccc(C(=O)C(C#N)c2nc3cc(Cl)ccc3s2)c(C2CC2)n1	ZINC000556480107	568435877	/nfs/dbraw/zinc/43/58/77/568435877.db2.gz	MWLXPODWENFSSR-CQSZACIVSA-N	0	2	367.861	5.021	20	30		FKEDLN
Cc1ccc(C(=O)[C@@H](C#N)c2nc3cc(Cl)ccc3s2)c(C2CC2)n1	ZINC000556480107	568435875	/nfs/dbraw/zinc/43/58/75/568435875.db2.gz	MWLXPODWENFSSR-CQSZACIVSA-N	0	2	367.861	5.021	20	30		FKEDLN
COc1ccc(-c2csc([C@@H](C#N)C(=O)c3occc3C(C)C)n2)cc1	ZINC000556553011	568437356	/nfs/dbraw/zinc/43/73/56/568437356.db2.gz	FBTNRXTYSNLQGQ-INIZCTEOSA-N	0	2	366.442	5.025	20	30		FKEDLN
COc1ccc(-c2csc(C(C#N)C(=O)c3occc3C(C)C)n2)cc1	ZINC000556553011	568437354	/nfs/dbraw/zinc/43/73/54/568437354.db2.gz	FBTNRXTYSNLQGQ-INIZCTEOSA-N	0	2	366.442	5.025	20	30		FKEDLN
COc1ccc(-c2csc([C@H](C#N)C(=O)c3occc3C(C)C)n2)cc1	ZINC000556553014	568437416	/nfs/dbraw/zinc/43/74/16/568437416.db2.gz	FBTNRXTYSNLQGQ-MRXNPFEDSA-N	0	2	366.442	5.025	20	30		FKEDLN
COc1ccc(-c2csc(C(C#N)C(=O)c3occc3C(C)C)n2)cc1	ZINC000556553014	568437414	/nfs/dbraw/zinc/43/74/14/568437414.db2.gz	FBTNRXTYSNLQGQ-MRXNPFEDSA-N	0	2	366.442	5.025	20	30		FKEDLN