smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CNC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000028015215	561897181	/nfs/dbraw/zinc/89/71/81/561897181.db2.gz	JUIMXVNWGFNXSW-ZJZGAYNASA-N	-1	1	655.665	-1.160	1	5		KABFMM
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CNC(=O)[C@H](CCS(=O)(=O)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000028096761	561901006	/nfs/dbraw/zinc/90/10/06/561901006.db2.gz	MTCUKLVDDTXFGL-ZJZGAYNASA-N	-1	1	691.720	-1.747	1	5		KABFMM
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CNC(=O)[C@H](CS(=O)(=O)[O-])NC(=O)[C@@H](N)Cc1ccc(O)cc1	ZINC000028097390	561901111	/nfs/dbraw/zinc/90/11/11/561901111.db2.gz	MPVNVZOTNVAAFV-MLCQCVOFSA-N	-1	1	677.693	-2.137	1	5		KABFMM
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1N)C(=O)N[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)C(N)=O	ZINC000049823212	562687123	/nfs/dbraw/zinc/68/71/23/562687123.db2.gz	SWEWKLLAJVYKMG-KQCWWSFOSA-N	-1	1	696.678	-2.615	1	5		KABFMM
C[C@@H](O)[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccccc1N)C(=O)NCC(=O)N[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)C(N)=O	ZINC000049841305	562688245	/nfs/dbraw/zinc/68/82/45/562688245.db2.gz	DZCJJZFOZHRRGH-AJQRVKNESA-N	-1	1	639.626	-1.859	1	5		KABFMM
C[C@H](NC(=O)c1ccccc1N)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)C(N)=O	ZINC000049841353	562688255	/nfs/dbraw/zinc/68/82/55/562688255.db2.gz	ATZINWUTSOGSGX-JNHSIYEJSA-N	-1	1	723.704	-2.859	1	5		KABFMM
CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000049888898	562691538	/nfs/dbraw/zinc/69/15/38/562691538.db2.gz	KIPSUIBFFXPQTO-PSAABXEMSA-N	-1	1	654.634	-3.949	1	5		KABFMM
C[C@@H](O)[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)c1ccccc1N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)C(N)=O	ZINC000049888973	562691695	/nfs/dbraw/zinc/69/16/95/562691695.db2.gz	ALTQYPBPXAWXGJ-YOQCDRCMSA-N	-1	1	710.705	-2.354	1	5		KABFMM
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O	ZINC000095557959	562762269	/nfs/dbraw/zinc/76/22/69/562762269.db2.gz	KJMAPQFBQRLXSI-JMZWVCJUSA-N	-1	1	827.893	-1.365	1	5		KABFMM
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(N)=O	ZINC000095557986	562762293	/nfs/dbraw/zinc/76/22/93/562762293.db2.gz	LPOZGNQQHQOCOJ-GPZFAZAFSA-N	-1	1	813.866	-1.755	1	5		KABFMM
NC(=O)C[C@H](NC(=O)c1ccccc1N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)C(N)=O	ZINC000095614875	562786932	/nfs/dbraw/zinc/78/69/32/562786932.db2.gz	FCNZUKIMBCABCG-KEOOTSPTSA-N	-1	1	779.768	-3.012	1	5		KABFMM
C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)c1ccccc1N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)C(N)=O	ZINC000095615588	562787369	/nfs/dbraw/zinc/78/73/69/562787369.db2.gz	WVRLYYDOVYJZPN-RGINERNHSA-N	-1	1	766.769	-2.507	1	5		KABFMM