smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164738959	720764529	/nfs/dbraw/zinc/76/45/29/720764529.db2.gz	HBSOMWFSSMCRLG-JFIYKMOQSA-N	0	3	445.483	1.542	20	30		IDEDHN
CNC(=O)CN1CCCC12CCN(c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C)CC2	ZINC001164689374	719750781	/nfs/dbraw/zinc/75/07/81/719750781.db2.gz	DCSDUHZINKKOQC-INIZCTEOSA-N	0	3	428.537	1.606	20	30		IDEDHN
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164738965	720764111	/nfs/dbraw/zinc/76/41/11/720764111.db2.gz	HBSOMWFSSMCRLG-LZLYRXPVSA-N	0	3	445.483	1.542	20	30		IDEDHN
CNC(=O)CN1CCCC12CCN(c1nc3ccccc3nc1[C@H](C#N)C(=O)OC)CC2	ZINC001164690143	719742462	/nfs/dbraw/zinc/74/24/62/719742462.db2.gz	UMGISXJDGHPLRN-INIZCTEOSA-N	0	3	436.516	1.591	20	30		IDEDHN
CNC(=O)CN1CCCC12CCN(c1nc3ccccc3nc1[C@@H](C#N)C(=O)OC)CC2	ZINC001164690147	719743472	/nfs/dbraw/zinc/74/34/72/719743472.db2.gz	UMGISXJDGHPLRN-MRXNPFEDSA-N	0	3	436.516	1.591	20	30		IDEDHN
CNC(=O)CN1CCCC12CCN(c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C)CC2	ZINC001164689375	719749689	/nfs/dbraw/zinc/74/96/89/719749689.db2.gz	DCSDUHZINKKOQC-MRXNPFEDSA-N	0	3	428.537	1.606	20	30		IDEDHN
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164738967	720765708	/nfs/dbraw/zinc/76/57/08/720765708.db2.gz	HBSOMWFSSMCRLG-SOLBZPMBSA-N	0	3	445.483	1.542	20	30		IDEDHN
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164738969	720765308	/nfs/dbraw/zinc/76/53/08/720765308.db2.gz	HBSOMWFSSMCRLG-XYJFISCASA-N	0	3	445.483	1.542	20	30		IDEDHN
CC[C@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1c-3nc2ccccc2c1/C=N/OCCN	ZINC000026976815	563038516	/nfs/dbraw/zinc/03/85/16/563038516.db2.gz	IBTISPLPBBHVSU-UVOOVGFISA-N	0	3	434.452	1.389	20	30	investigational	IDEDHN