smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2c1cccc2S(=O)(=O)[N-]c1ccccc1	ZINC000034074711	563112080	/nfs/dbraw/zinc/11/20/80/563112080.db2.gz	AGRYROVEUZEKND-FYWRMAATSA-N	-1	1	460.511	4.704	1	10		JJCFMM
COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(-c3c(O)ccc4ccccc43)c2)c(OC)c1	ZINC000040916198	563155659	/nfs/dbraw/zinc/15/56/59/563155659.db2.gz	GRYLCNUPJYKZOD-UHFFFAOYSA-N	-1	1	451.500	4.736	1	10		JJCFMM
O=C(/C=C/c1ccc(O)c(O)c1)Nc1cccc2c1cccc2S(=O)(=O)[N-]c1ccc(F)cc1	ZINC000034074712	563112077	/nfs/dbraw/zinc/11/20/77/563112077.db2.gz	YSOHREBDEQJYKA-RIYZIHGNSA-N	-1	1	478.501	4.843	1	10		JJCFMM
Cc1cccc(COc2cccc(/C=C3\C(=O)[N-]N(C(=O)c4cccc5ccccc54)C3=O)c2)c1	ZINC000040943082	563159056	/nfs/dbraw/zinc/15/90/56/563159056.db2.gz	LALFPNKCBMLSGG-YZSQISJMSA-N	-1	1	462.505	4.824	1	10		JJCFMM
O=S(=O)(Nc1cc(Sc2nc[nH]n2)c([O-])c2ccccc12)c1ccc(C(F)(F)F)cc1	ZINC000038488520	563134887	/nfs/dbraw/zinc/13/48/87/563134887.db2.gz	RQHQZLZCASMJHR-UHFFFAOYSA-N	-1	1	466.466	4.634	1	10		JJCFMM
O=C1CCCC[C@@H]1Cc1c(Br)c([O-])c(O)c(Br)c1Br	ZINC000014769554	563006382	/nfs/dbraw/zinc/00/63/82/563006382.db2.gz	LLMBLIAKCCQZSI-ZCFIWIBFSA-N	-1	1	456.956	4.687	1	10		JJCFMM
[O-]c1c(O)c(Cl)c2c(c1Cl)CCN(C(=S)NCCc1ccc(Br)cc1)C2	ZINC000029131760	563097261	/nfs/dbraw/zinc/09/72/61/563097261.db2.gz	PEHDXIUGSKXPKF-UHFFFAOYSA-N	-1	1	476.223	4.642	1	10		JJCFMM
Cc1c(C2=NN=C(/N=N/c3c([O-])cccc3O)/C2=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C	ZINC000005883080	562935671	/nfs/dbraw/zinc/93/56/71/562935671.db2.gz	ROXLNVPCACNANI-YEWMAQBASA-N	-1	1	478.512	4.879	1	10		JJCFMM
O=c1cc(-c2ccccc2Cl)oc2c([N-]S(=O)(=O)c3cccc4nsnc43)ccc(O)c12	ZINC000013661149	562982263	/nfs/dbraw/zinc/98/22/63/562982263.db2.gz	IMOFNLIYQXJCPT-UHFFFAOYSA-N	-1	1	485.930	4.625	3	10		JJCFMM
Cc1ccc(N2C(=O)C(=C3Sc4c(nc(C)[n-]c4=O)N3c3ccccc3)SC2=S)cc1	ZINC000005724241	562934638	/nfs/dbraw/zinc/93/46/38/562934638.db2.gz	WGDYTWRXBLRJRR-HEHNFIMWSA-N	-1	1	464.597	4.865	1	10		JJCFMM