smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+]1CCC[C@H](C(=O)Nc2ccc(CSc3ccccc3)cc2)C1	ZINC000216906926	536382220	/nfs/dbraw/zinc/38/22/20/536382220.db2.gz	IRYAKJJOLSLVBB-KRWDZBQOSA-N	1	1	340.492	4.259	40	70		EIIBMO
C[N@H+]1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C1	ZINC000216909067	536362621	/nfs/dbraw/zinc/36/26/21/536362621.db2.gz	UMQRYCWZBFBHBG-CQSZACIVSA-N	1	1	344.842	4.413	40	70		EIIBMO
C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2Sc2ccccc2)C1	ZINC000216909136	536362158	/nfs/dbraw/zinc/36/21/58/536362158.db2.gz	JMEOOUSHGXRTHB-OAHLLOKOSA-N	1	1	326.465	4.118	40	70		EIIBMO
C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(CSc3ccccc3)cc2)C1	ZINC000216906895	536362040	/nfs/dbraw/zinc/36/20/40/536362040.db2.gz	IRYAKJJOLSLVBB-QGZVFWFLSA-N	1	1	340.492	4.259	40	70		EIIBMO
C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2Sc2ccccc2)C1	ZINC000216909165	536382093	/nfs/dbraw/zinc/38/20/93/536382093.db2.gz	JMEOOUSHGXRTHB-HNNXBMFYSA-N	1	1	326.465	4.118	40	70		EIIBMO
C[N@H+]1CCC[C@H](C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)C1	ZINC000216909094	536382176	/nfs/dbraw/zinc/38/21/76/536382176.db2.gz	UMQRYCWZBFBHBG-AWEZNQCLSA-N	1	1	344.842	4.413	40	70		EIIBMO