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@H](C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@H](C(=O)N[C@@H](CCO)C(=O)[O-])[C@@H](C)CC	ZINC000013734912	563002243	/nfs/dbraw/zinc/00/22/43/563002243.db2.gz	AHSAGNSMVBZTEY-LZXPERKUSA-N	-1	1	448.586	-0.743	1	30		IBEFMM
Cn1cc[n+](CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)/C(=N\[O-])c4csc(N)n4)[C@H]3CC2)c1	ZINC000026495751	563032642	/nfs/dbraw/zinc/03/26/42/563032642.db2.gz	LXOJDJLWIQHPPT-YPMHNXCESA-O	-1	1	446.469	-0.942	1	30		IBEFMM
NC(=[NH2+])NC([O-])=CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC1CCCCC1)NCC(=O)[O-]	ZINC000027189102	563040340	/nfs/dbraw/zinc/04/03/40/563040340.db2.gz	NCLVITMPBHXTDG-CABCVRRESA-N	-1	1	438.529	-0.703	1	30		IBEFMM
CSCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CCC[C@H](NC(=O)[C@H](N)CS)C(=O)N21)C(=O)[O-]	ZINC000027981514	563048553	/nfs/dbraw/zinc/04/85/53/563048553.db2.gz	AGAOYTCAGBEJHE-NDKCEZKHSA-N	-1	1	446.595	-0.406	1	30		IBEFMM
CC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NCC(=O)[O-]	ZINC000040424186	563102877	/nfs/dbraw/zinc/10/28/77/563102877.db2.gz	UYJKTIIZJWCFSX-QEWYBTABSA-N	-1	1	438.550	-0.297	1	30		IBEFMM
C=C(C)[C@@H]1Cc2c(cc3oc(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(=O)c3c2[O-])O1	ZINC000084732390	563178794	/nfs/dbraw/zinc/17/87/94/563178794.db2.gz	DZNSXRUDBJAWGY-NHXQFOETSA-N	-1	1	436.413	-0.305	1	30		IBEFMM
C=C(C)[C@@H]1Cc2c(cc3oc(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc([O-])c-3c2=O)O1	ZINC000084732390	563178793	/nfs/dbraw/zinc/17/87/93/563178793.db2.gz	DZNSXRUDBJAWGY-NHXQFOETSA-N	-1	1	436.413	-0.305	1	30		IBEFMM
C=C(C)[C@H]1Cc2c(cc3oc(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(=O)c3c2[O-])O1	ZINC000084732394	563178812	/nfs/dbraw/zinc/17/88/12/563178812.db2.gz	DZNSXRUDBJAWGY-NCFKGQNTSA-N	-1	1	436.413	-0.305	1	30		IBEFMM
C=C(C)[C@H]1Cc2c(cc3oc(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc([O-])c-3c2=O)O1	ZINC000084732394	563178811	/nfs/dbraw/zinc/17/88/11/563178811.db2.gz	DZNSXRUDBJAWGY-NCFKGQNTSA-N	-1	1	436.413	-0.305	1	30		IBEFMM
CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NCC#N	ZINC000095579427	563186976	/nfs/dbraw/zinc/18/69/76/563186976.db2.gz	BBRREBFQRGNSAL-JTQLQIEISA-N	-1	1	425.496	-0.263	1	30		IBEFMM
CC(C)CS(=O)(=O)C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NCC#N	ZINC000095579427	563186974	/nfs/dbraw/zinc/18/69/74/563186974.db2.gz	BBRREBFQRGNSAL-JTQLQIEISA-N	-1	1	425.496	-0.263	1	30		IBEFMM
CC(C)CS(=O)(=O)C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)s1)C(=O)NCC#N	ZINC000095579428	563186970	/nfs/dbraw/zinc/18/69/70/563186970.db2.gz	BBRREBFQRGNSAL-SNVBAGLBSA-N	-1	1	425.496	-0.263	1	30		IBEFMM
CC(C)CS(=O)(=O)C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)s1)C(=O)NCC#N	ZINC000095579428	563186968	/nfs/dbraw/zinc/18/69/68/563186968.db2.gz	BBRREBFQRGNSAL-SNVBAGLBSA-N	-1	1	425.496	-0.263	1	30		IBEFMM