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)(O/N=C(\C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(O)cc(=O)[nH]3)CS[C@@H]12)c1cnc(N)s1)C(=O)[O-]	ZINC000027215438	561848316	/nfs/dbraw/zinc/84/83/16/561848316.db2.gz	YVDNRIALSFMZGJ-CTOQBFHWSA-N	-2	2	611.640	-0.371	1	30		KBEFLL
CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(O)cc(=O)[nH]3)CS[C@@H]12)c1cnc(N)s1)C(=O)[O-]	ZINC000027215442	561848250	/nfs/dbraw/zinc/84/82/50/561848250.db2.gz	YVDNRIALSFMZGJ-YBBHXOLFSA-N	-2	2	611.640	-0.371	1	30		KBEFLL
CC(C)(O/N=C(\C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(O)cc(=O)[nH]3)CS[C@H]12)c1cnc(N)s1)C(=O)[O-]	ZINC000027215446	561848325	/nfs/dbraw/zinc/84/83/25/561848325.db2.gz	YVDNRIALSFMZGJ-NLZXZNHASA-N	-2	2	611.640	-0.371	1	30		KBEFLL
CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nc(O)cc(=O)[nH]3)CS[C@H]12)c1cnc(N)s1)C(=O)[O-]	ZINC000027215450	561848313	/nfs/dbraw/zinc/84/83/13/561848313.db2.gz	YVDNRIALSFMZGJ-LYIHBQPYSA-N	-2	2	611.640	-0.371	1	30		KBEFLL
CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CNC(=O)c3cc(O)c(O)c([N+](=O)[O-])c3)CS[C@H]12)c1csc(N)n1)C(=O)[O-]	ZINC000049672576	562668327	/nfs/dbraw/zinc/66/83/27/562668327.db2.gz	GESDRMWLEJWNKV-LPGWTGIHSA-N	-2	2	665.619	-0.203	1	30		KBEFLL
[N-]=[N+]=Nc1nc2c(ncnc2N)n1[C@@H]1O[C@H](CO[P@@](=O)([O-])O[C@@H]2[C@H](O)[C@@H](CO[P@](=O)([O-])O)O[C@@H]2n2c(N=[N+]=[N-])nc3c2ncnc3N)[C@@H](O)[C@H]1O	ZINC000095535754	562753825	/nfs/dbraw/zinc/75/38/25/562753825.db2.gz	KLKBALXUIOMALU-YKWXAGGZSA-N	-2	2	758.459	-0.797	1	30		KBEFLL
[N-]=[N+]=Nc1nc2c(ncnc2N)n1[C@@H]1O[C@H](CO[P@@](=O)([O-])O[C@@H]2[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O[C@@H]2n2c(N=[N+]=[N-])nc3c2ncnc3N)[C@@H](O)[C@H]1O	ZINC000095535754	562753824	/nfs/dbraw/zinc/75/38/24/562753824.db2.gz	KLKBALXUIOMALU-YKWXAGGZSA-N	-2	2	758.459	-0.797	1	30		KBEFLL
CC[C@@H](C=O)NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CCC(=O)[O-])NC(C)=O)C(C)C)C(C)C	ZINC000095548341	562759302	/nfs/dbraw/zinc/75/93/02/562759302.db2.gz	KTMGUHOUDWBEQT-PCMUPDFDSA-N	-2	2	774.869	-0.123	1	30		KBEFLL
CN(C)c1cc(NC=O)c(O)c2c1C[C@@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2O	ZINC000100805945	562808005	/nfs/dbraw/zinc/80/80/05/562808005.db2.gz	MPMSQAABFUIUGI-ATCFJUMDSA-N	-2	2	500.508	-0.402	1	30		KBEFLL
CN(C)c1cc(NC=O)c(O)c2c1C[C@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2O	ZINC000100805947	562808025	/nfs/dbraw/zinc/80/80/25/562808025.db2.gz	MPMSQAABFUIUGI-HUWPXAQCSA-N	-2	2	500.508	-0.402	1	30		KBEFLL
CN(C)c1cc(NC=O)c(O)c2c1C[C@@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2O	ZINC000100805948	562808011	/nfs/dbraw/zinc/80/80/11/562808011.db2.gz	MPMSQAABFUIUGI-VPHBYSGQSA-N	-2	2	500.508	-0.402	1	30		KBEFLL
[N-]=[N+]=Nc1nc2c(ncnc2N)n1[C@@H]1O[C@H](CO[P@](=O)([O-])O[C@@H]2[C@H](O)[C@@H](CO[P@](=O)([O-])O)O[C@H]2n2c(N=[N+]=[N-])nc3c2ncnc3N)[C@@H](O)[C@H]1O	ZINC000253633307	562882045	/nfs/dbraw/zinc/88/20/45/562882045.db2.gz	KLKBALXUIOMALU-MHARETSRSA-N	-2	2	758.459	-0.797	1	30		KBEFLL
[N-]=[N+]=Nc1nc2c(ncnc2N)n1[C@@H]1O[C@H](CO[P@](=O)([O-])O[C@@H]2[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O[C@H]2n2c(N=[N+]=[N-])nc3c2ncnc3N)[C@@H](O)[C@H]1O	ZINC000253633307	562882044	/nfs/dbraw/zinc/88/20/44/562882044.db2.gz	KLKBALXUIOMALU-MHARETSRSA-N	-2	2	758.459	-0.797	1	30		KBEFLL