smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H]1CC[C@H](CO)CN1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000095995525	426386164	/nfs/dbraw/zinc/38/61/64/426386164.db2.gz	OOSWRCTZQLKEDS-HOCLYGCPSA-N	0	3	324.428	2.552	30	30		DFECHN
C[C@H](C(=O)Nc1nnc[n-]1)[NH+]1CCC(Cc2ccccc2)CC1	ZINC000071896024	426000797	/nfs/dbraw/zinc/00/07/97/426000797.db2.gz	AHTMPHBKXCZFMW-CYBMUJFWSA-N	0	3	313.405	2.736	30	30		DFECHN
C=CCn1cc(CN2CC[C@@](O)(c3ccccc3C)C2)c(C)n1	ZINC000055271890	425892536	/nfs/dbraw/zinc/89/25/36/425892536.db2.gz	KVGGGEFPAXIRLV-IBGZPJMESA-N	0	3	311.429	2.779	30	30		DFECHN
C[C@@H](C(=O)Nc1nnc[n-]1)[NH+]1CCC(Cc2ccccc2)CC1	ZINC000071896023	426000731	/nfs/dbraw/zinc/00/07/31/426000731.db2.gz	AHTMPHBKXCZFMW-ZDUSSCGKSA-N	0	3	313.405	2.736	30	30		DFECHN
C[C@@H]1CC[C@@H](CO)CN1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000095995526	426385748	/nfs/dbraw/zinc/38/57/48/426385748.db2.gz	OOSWRCTZQLKEDS-GDBMZVCRSA-N	0	3	324.428	2.552	30	30		DFECHN
Cc1csc(C(C#N)C(=O)c2ccc(-n3cncn3)cc2C)n1	ZINC000076764162	185039498	/nfs/dbraw/zinc/03/94/98/185039498.db2.gz	XSDFEURWLYYPKM-CQSZACIVSA-N	0	3	323.381	2.831	30	30		DFECHN
C=CCn1cc(CN2CC[C@](O)(c3ccccc3C)C2)c(C)n1	ZINC000055271892	425892738	/nfs/dbraw/zinc/89/27/38/425892738.db2.gz	KVGGGEFPAXIRLV-LJQANCHMSA-N	0	3	311.429	2.779	30	30		DFECHN
C[C@H]1CC[C@@H](CO)CN1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000095995527	426386405	/nfs/dbraw/zinc/38/64/05/426386405.db2.gz	OOSWRCTZQLKEDS-GOEBONIOSA-N	0	3	324.428	2.552	30	30		DFECHN
Cc1csc(C(C#N)C(=O)c2ccc(-n3cncn3)cc2C)n1	ZINC000076764166	185039364	/nfs/dbraw/zinc/03/93/64/185039364.db2.gz	XSDFEURWLYYPKM-AWEZNQCLSA-N	0	3	323.381	2.831	30	30		DFECHN
C[C@@H]1CC[C@H](CO)CN1Cc1cn(C)nc1-c1ccc(C#N)cc1	ZINC000095995524	426385915	/nfs/dbraw/zinc/38/59/15/426385915.db2.gz	OOSWRCTZQLKEDS-ZBFHGGJFSA-N	0	3	324.428	2.552	30	30		DFECHN