smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N=C1S[C@@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC(=O)N1/N=C/c1ccc2c(c1)OCO2	ZINC000020438122	557016877	/nfs/dbraw/zinc/01/68/77/557016877.db2.gz	JTJUNBIZALRNES-UTIFJUKKSA-N	-1	0	440.437	2.355	10	30		IEEERM
CC(C)(C)OC(=O)NCCc1ccc(S(=O)([O-])=NC(=O)N[C@H]2CCC[C@@H](O)C2)cc1	ZINC000077273694	518832003	/nfs/dbraw/zinc/83/20/03/518832003.db2.gz	GWUTXPHWFKUPSD-JKSUJKDBSA-N	-1	0	441.550	2.250	10	30	in-vitro	IEEERM
CNC(=O)N=S(=O)([O-])c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1	ZINC000000537790	555510347	/nfs/dbraw/zinc/51/03/47/555510347.db2.gz	RXOBKRPNVDTZQF-UHFFFAOYSA-N	-1	0	425.894	2.143	10	30	in-man	IEEERM
CCOC(=O)c1cc(C#N)c(N2CC(C(=O)[N-]S(=O)(=O)Cc3ccccc3)C2)nc1C	ZINC000034846050	563088244	/nfs/dbraw/zinc/08/82/44/563088244.db2.gz	AOOWVFPXPVQQGP-UHFFFAOYSA-N	-1	0	442.497	2.361	10	30		IEEERM
O=C(N/C([S-])=N\NS(=O)(=O)c1ccc(Cl)cc1)c1cc2ccccc2oc1=O	ZINC000003669168	569456038	/nfs/dbraw/zinc/45/60/38/569456038.db2.gz	LELOCBRZXLGNSK-UHFFFAOYSA-N	-1	0	437.886	2.356	10	30		IEEERM
N=C1S[C@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC(=O)N1/N=C/c1ccc2c(c1)OCO2	ZINC000020438118	557016951	/nfs/dbraw/zinc/01/69/51/557016951.db2.gz	JTJUNBIZALRNES-LZZSCIRZSA-N	-1	0	440.437	2.355	10	30		IEEERM