smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CCOc1cccc(Br)c1)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000159985745	531802670	/nfs/dbraw/zinc/80/26/70/531802670.db2.gz	VNUKWBJPOMNZDZ-OAHLLOKOSA-N	1	0	385.302	2.181	10	70		GEIERO
CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cncc(I)c1	ZINC000161176116	531825882	/nfs/dbraw/zinc/82/58/82/531825882.db2.gz	SKTKIACKHIWBOF-ZDUSSCGKSA-N	1	0	375.254	2.392	10	70		GEIERO
O=C(CCOc1cccc(Br)c1)NC[C@H](O)C[NH+]1CCCCC1	ZINC000159985604	531801717	/nfs/dbraw/zinc/80/17/17/531801717.db2.gz	VNUKWBJPOMNZDZ-HNNXBMFYSA-N	1	0	385.302	2.181	10	70		GEIERO
CNS(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1	ZINC000160597011	531811854	/nfs/dbraw/zinc/81/18/54/531811854.db2.gz	ZZGVPCVXCGTDJF-CYBMUJFWSA-N	1	0	387.933	2.098	10	70		GEIERO
CC(C)[N@H+]1C[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)[C@@H](C)C1	ZINC000161344001	531831303	/nfs/dbraw/zinc/83/13/03/531831303.db2.gz	HXQFSDBUQWDPRI-LRDDRELGSA-N	1	0	387.933	2.049	10	70		GEIERO
CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cncc(I)c1	ZINC000161176243	531825756	/nfs/dbraw/zinc/82/57/56/531825756.db2.gz	SKTKIACKHIWBOF-CYBMUJFWSA-N	1	0	375.254	2.392	10	70		GEIERO
CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cc(Cn2cc(Br)cn2)on1	ZINC000161326972	531831680	/nfs/dbraw/zinc/83/16/80/531831680.db2.gz	FVIBVNOXTAXLLW-CYBMUJFWSA-N	1	0	398.305	2.388	10	70		GEIERO
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)C1	ZINC000161343866	531832201	/nfs/dbraw/zinc/83/22/01/531832201.db2.gz	HXQFSDBUQWDPRI-WBMJQRKESA-N	1	0	387.933	2.049	10	70		GEIERO