smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](OS(C)(=O)=O)[C@@H](C(N)=O)N(C(=O)OCc1ccccc1)S(=O)(=O)[O-]	ZINC000022066617	525916458	/nfs/dbraw/zinc/91/64/58/525916458.db2.gz	PNCURCASEQXCHK-KOLCDFICSA-N	-1	0	410.426	-0.353	10	30	in-vitro	HBEERM
CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SC=C(COC(N)=O)[C@H]2C(=O)[O-])c1ccco1	ZINC000035299856	522736906	/nfs/dbraw/zinc/73/69/06/522736906.db2.gz	AIEMBSSBMKFDGU-ZIDZTGMZSA-N	-1	0	424.391	-0.538	10	30	in-vitro	HBEERM
CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H]1SC=C(COC(N)=O)[C@@H]2C(=O)[O-])c1ccco1	ZINC000058638845	558928984	/nfs/dbraw/zinc/92/89/84/558928984.db2.gz	AIEMBSSBMKFDGU-HPUGUEDKSA-N	-1	0	424.391	-0.538	10	30	in-vitro	HBEERM
O=C(ON1C(=O)C[C@H](S(=O)(=O)[O-])C1=O)C1CCC(CN2C(=O)CCC2=O)CC1	ZINC000059126695	558932262	/nfs/dbraw/zinc/93/22/62/558932262.db2.gz	LHGAAMAZNWYBFN-ILDUYXDCSA-N	-1	0	416.408	-0.585	10	30	in-vitro	HBEERM
C[C@H]1OC(=O)C2=C1CS[C@@H]([C@H](NC(=O)/C(=N\[O-])c1csc(N)[nH+]1)C(=O)[O-])N2	ZINC000103530382	559156162	/nfs/dbraw/zinc/15/61/62/559156162.db2.gz	DKFLDACXFQGVEO-OPOFVXBZSA-N	-1	0	413.437	-0.665	10	30	in-vitro	HBEERM
C[C@@H]1OC(=O)C2=C1CS[C@@H]([C@H](NC(=O)/C(=N\[O-])c1csc(N)[nH+]1)C(=O)[O-])N2	ZINC000103530385	569048648	/nfs/dbraw/zinc/04/86/48/569048648.db2.gz	DKFLDACXFQGVEO-NVFYSWBKSA-N	-1	0	413.437	-0.665	10	30	in-vitro	HBEERM
C[C@H]1OC(=O)C2=C1CS[C@H]([C@H](NC(=O)/C(=N\[O-])c1csc(N)[nH+]1)C(=O)[O-])N2	ZINC000103530393	559156182	/nfs/dbraw/zinc/15/61/82/559156182.db2.gz	DKFLDACXFQGVEO-DZGGMSNYSA-N	-1	0	413.437	-0.665	10	30	in-vitro	HBEERM
C[C@@H]1OC(=O)C2=C1CS[C@H]([C@H](NC(=O)/C(=N\[O-])c1csc(N)[nH+]1)C(=O)[O-])N2	ZINC000103530395	569048615	/nfs/dbraw/zinc/04/86/15/569048615.db2.gz	DKFLDACXFQGVEO-NFCNWAECSA-N	-1	0	413.437	-0.665	10	30	in-vitro	HBEERM
O=C(ON1C(=O)C[C@@H](S(=O)(=O)[O-])C1=O)C1CCC(CN2C(=O)CCC2=O)CC1	ZINC000103595915	559156496	/nfs/dbraw/zinc/15/64/96/559156496.db2.gz	LHGAAMAZNWYBFN-VQXHTEKXSA-N	-1	0	416.408	-0.585	10	30	in-vitro	HBEERM
C#CCNS(=O)(=O)c1ccc(C(=O)NCc2nn3c([n-]2)nc(C)cc3=O)cc1	ZINC000170601755	569243320	/nfs/dbraw/zinc/24/33/20/569243320.db2.gz	LCHVZNSCNVVOSU-UHFFFAOYSA-N	-1	0	400.420	-0.020	10	30		HBEERM
CC(=NN[C@H](C)CS(=O)(=O)C[C@@H]1C[N+](C)(C)C[C@@H]1CS(=O)(=O)[O-])C(=O)[O-]	ZINC000254836101	717170948	/nfs/dbraw/zinc/17/09/48/717170948.db2.gz	FDTWLRXKVJMBTC-KGYLQXTDSA-O	-1	0	414.526	-0.950	10	30		HBEERM
CC(=NN[C@H](C)CS(=O)(=O)C[C@H]1C[N+](C)(C)C[C@@H]1CS(=O)(=O)[O-])C(=O)[O-]	ZINC000254836102	717171056	/nfs/dbraw/zinc/17/10/56/717171056.db2.gz	FDTWLRXKVJMBTC-RAIGVLPGSA-O	-1	0	414.526	-0.950	10	30		HBEERM
CC(=NN[C@H](C)CS(=O)(=O)C[C@H]1C[N+](C)(C)C[C@H]1CS(=O)(=O)[O-])C(=O)[O-]	ZINC000254836103	717171227	/nfs/dbraw/zinc/17/12/27/717171227.db2.gz	FDTWLRXKVJMBTC-RTXFEEFZSA-O	-1	0	414.526	-0.950	10	30		HBEERM
CC(=NN[C@H](C)CS(=O)(=O)C[C@@H]1C[N+](C)(C)C[C@H]1CS(=O)(=O)[O-])C(=O)[O-]	ZINC000254836104	717171234	/nfs/dbraw/zinc/17/12/34/717171234.db2.gz	FDTWLRXKVJMBTC-WXHSDQCUSA-O	-1	0	414.526	-0.950	10	30		HBEERM