smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[N@H+](C)Cc1nn(-c2nccnc2[C@H](C#N)C(=O)OC(C)(C)C)c2c1CC[NH2+]C2	ZINC001164679526	719647394	/nfs/dbraw/zinc/64/73/94/719647394.db2.gz	FKJSWVGGHVFDDW-INIZCTEOSA-N	2	1	425.537	2.097	20	30		IEEDMP
CC(C)[N@@H+](C)Cc1nn(-c2nccnc2[C@H](C#N)C(=O)OC(C)(C)C)c2c1CC[NH2+]C2	ZINC001164679526	719647401	/nfs/dbraw/zinc/64/74/01/719647401.db2.gz	FKJSWVGGHVFDDW-INIZCTEOSA-N	2	1	425.537	2.097	20	30		IEEDMP
COC(=O)[C@H](C#N)c1nc2ccccc2nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2	ZINC001164680142	719641270	/nfs/dbraw/zinc/64/12/70/719641270.db2.gz	PRLKWPFVMISKDJ-MRXNPFEDSA-N	2	1	433.516	2.082	20	30		IEEDMP
COC(=O)[C@H](C#N)c1nc2ccccc2nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2	ZINC001164680142	719641272	/nfs/dbraw/zinc/64/12/72/719641272.db2.gz	PRLKWPFVMISKDJ-MRXNPFEDSA-N	2	1	433.516	2.082	20	30		IEEDMP
CC(C)[N@H+](C)Cc1nn(-c2nccnc2[C@@H](C#N)C(=O)OC(C)(C)C)c2c1CC[NH2+]C2	ZINC001164679527	719648178	/nfs/dbraw/zinc/64/81/78/719648178.db2.gz	FKJSWVGGHVFDDW-MRXNPFEDSA-N	2	1	425.537	2.097	20	30		IEEDMP
CC(C)[N@@H+](C)Cc1nn(-c2nccnc2[C@@H](C#N)C(=O)OC(C)(C)C)c2c1CC[NH2+]C2	ZINC001164679527	719648183	/nfs/dbraw/zinc/64/81/83/719648183.db2.gz	FKJSWVGGHVFDDW-MRXNPFEDSA-N	2	1	425.537	2.097	20	30		IEEDMP
COC(=O)[C@@H](C#N)c1nc2ccccc2nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2	ZINC001164680141	719641825	/nfs/dbraw/zinc/64/18/25/719641825.db2.gz	PRLKWPFVMISKDJ-INIZCTEOSA-N	2	1	433.516	2.082	20	30		IEEDMP
COC(=O)[C@@H](C#N)c1nc2ccccc2nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2	ZINC001164680141	719641831	/nfs/dbraw/zinc/64/18/31/719641831.db2.gz	PRLKWPFVMISKDJ-INIZCTEOSA-N	2	1	433.516	2.082	20	30		IEEDMP