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](O)CN1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H]1C	ZINC000105822619	545735985	/nfs/dbraw/zinc/73/59/85/545735985.db2.gz	IJQVDNASKIVKKR-HZPDHXFCSA-N	0	1	348.491	0.756	10	10		ECCEMN
C[C@@H](O)CN1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1C	ZINC000105822622	545735129	/nfs/dbraw/zinc/73/51/29/545735129.db2.gz	IJQVDNASKIVKKR-JKSUJKDBSA-N	0	1	348.491	0.756	10	10		ECCEMN
COc1ccc(N2CCN(C[C@@H](O)CN3CCCC3=O)CC2)cc1	ZINC000171883046	609765833	/nfs/dbraw/zinc/76/58/33/609765833.db2.gz	FHBOZBJCUXUGGO-MRXNPFEDSA-N	0	1	333.432	0.801	10	10		ECCEMN
CC[C@@H](O)CN1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1	ZINC000118858021	254493987	/nfs/dbraw/zinc/49/39/87/254493987.db2.gz	QIMUQUPOFPVMCG-GOSISDBHSA-N	0	1	348.491	0.757	10	10		ECCEMN
CN(CC(=O)NCCc1ccc(N)cc1)c1ncnc2[nH]cnc21	ZINC000262589852	436938168	/nfs/dbraw/zinc/93/81/68/436938168.db2.gz	ZYRDLAJAQVPPPJ-UHFFFAOYSA-N	0	1	325.376	0.730	10	10		ECCEMN
CCN1CCN(c2ccc(CNC(=O)[C@H]3CNC(=O)C3)cc2F)CC1	ZINC000106702620	589238308	/nfs/dbraw/zinc/23/83/08/589238308.db2.gz	GPTKIBCTMFYYDS-CQSZACIVSA-N	0	1	348.422	0.720	10	10		ECCEMN
CC[C@H](O)CN1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1	ZINC000118858020	436663513	/nfs/dbraw/zinc/66/35/13/436663513.db2.gz	QIMUQUPOFPVMCG-SFHVURJKSA-N	0	1	348.491	0.757	10	10		ECCEMN
COc1ccc(N2CCN(C[C@H](O)CN3CCCC3=O)CC2)cc1	ZINC000171883045	609765541	/nfs/dbraw/zinc/76/55/41/609765541.db2.gz	FHBOZBJCUXUGGO-INIZCTEOSA-N	0	1	333.432	0.801	10	10		ECCEMN
CCN1CCN(c2ccc(CNC(=O)[C@@H]3CNC(=O)C3)cc2F)CC1	ZINC000106702623	589238198	/nfs/dbraw/zinc/23/81/98/589238198.db2.gz	GPTKIBCTMFYYDS-AWEZNQCLSA-N	0	1	348.422	0.720	10	10		ECCEMN
CCN(CC)c1ccc(CNC(=O)[C@H](N)CCS(C)(=O)=O)cc1	ZINC000178657174	608847394	/nfs/dbraw/zinc/84/73/94/608847394.db2.gz	WLWNCPSDLBQNGY-OAHLLOKOSA-N	0	1	341.477	0.911	10	10		ECCEMN