smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2oc3cc(OC)c(OC)c(=O)c-3c([O-])c2[O-])cc1O ZINC000005733650 204223035 /nfs/dbraw/zinc/22/30/35/204223035.db2.gz ZZEQOHMDRQUMMH-UHFFFAOYSA-N -2 3 360.318 2.603 40 0 biogenic,in-vitro FFABHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc4ccccc4c3)ccc21 ZINC000226860340 206123315 /nfs/dbraw/zinc/12/33/15/206123315.db2.gz PVFFLHURUZNZIR-UHFFFAOYSA-N -2 3 352.371 2.524 40 0 FFABHL CC(C)c1oc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])nc1[O-] ZINC000227173802 206124918 /nfs/dbraw/zinc/12/49/18/206124918.db2.gz FXWLNZFHAAURJJ-INIZCTEOSA-N -2 3 366.373 2.719 40 0 FFABHL O=C([O-])[C@@H](Cc1ccccc1)N[C@H](c1ccc(Cl)cc1)P(=O)([O-])[O-] ZINC000001590391 204013464 /nfs/dbraw/zinc/01/34/64/204013464.db2.gz UFDUGJQZMFXKIC-CABCVRRESA-N -3 3 369.741 2.802 40 0 FFABHL O=C1O[C@H](c2c(=O)[n-]c(=S)n(-c3ccc(F)cc3)c2[O-])c2ccccc21 ZINC000016524559 507094000 /nfs/dbraw/zinc/09/40/00/507094000.db2.gz UMFZUPAJBPCHAW-AWEZNQCLSA-N -2 3 370.361 3.000 40 0 FFABHL Cc1cnc([N-]S(=O)(=O)c2ccc(N)cc2)nc1-c1ccccc1[O-] ZINC000001760212 204018116 /nfs/dbraw/zinc/01/81/16/204018116.db2.gz DVUNRQLCQHPFOM-UHFFFAOYSA-N -2 3 356.407 2.541 40 0 FFABHL COc1ccc(-c2oc3cc([O-])c(OC)c([O-])c3c(=O)c2OC)cc1O ZINC000003871987 206165960 /nfs/dbraw/zinc/16/59/60/206165960.db2.gz BZXULYMZYPRZOG-UHFFFAOYSA-N -2 3 360.318 2.603 40 0 biogenic,in-vivo FFABHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3)cc3cccc1c32 ZINC000005516138 206196208 /nfs/dbraw/zinc/19/62/08/206196208.db2.gz WZSCYKWAGWXFKQ-UHFFFAOYSA-N -2 3 352.371 2.524 40 0 FFABHL CCCc1c([O-])nc(SCC(=O)Nc2ccc(Cl)cc2)[n-]c1=O ZINC000013453664 206303246 /nfs/dbraw/zinc/30/32/46/206303246.db2.gz IMNJXJFGBHEDFF-UHFFFAOYSA-N -2 3 353.831 2.812 40 0 FFABHL C#CCOc1ccc(C=C(Sc2n[n-]c(CC)n2)C(=O)[O-])cc1OC ZINC000007342563 506553924 /nfs/dbraw/zinc/55/39/24/506553924.db2.gz GVAIBAYJGYGLHR-UVTDQMKNSA-N -2 3 359.407 2.606 40 0 FFABHL CCOc1c(OC)cccc1C(c1c(C)[n-][nH]c1=O)c1c(C)[n-][nH]c1=O ZINC000096193457 209131864 /nfs/dbraw/zinc/13/18/64/209131864.db2.gz VFUSQQIHQNTLJQ-UHFFFAOYSA-N -2 3 358.398 2.748 40 0 FFABHL CC[Si](C)(C)Cc1c([O-])nc(SCC(=O)c2ccccc2)[n-]c1=O ZINC000253562571 509897015 /nfs/dbraw/zinc/89/70/15/509897015.db2.gz DKTJKAQSFBHMCE-UHFFFAOYSA-N -2 3 362.527 2.959 40 0 FFABHL Nc1cccc(C(=O)Nc2ccc3c([O-])cc(S(=O)(=O)[O-])cc3c2)c1 ZINC000001577003 506267201 /nfs/dbraw/zinc/26/72/01/506267201.db2.gz XONNZQRHMVHLNV-UHFFFAOYSA-N -2 3 358.375 2.627 40 0 FFABHL O=C(CSc1nc([O-])c(C2CCCCC2)c(=O)[n-]1)N1CCCCC1 ZINC000013453901 506941583 /nfs/dbraw/zinc/94/15/83/506941583.db2.gz XPTQYNWLPQYOST-UHFFFAOYSA-N -2 3 351.472 2.628 40 0 FFABHL COc1cc(-c2oc3cc([O-])c(OC)c([O-])c3c(=O)c2OC)ccc1O ZINC000005732760 506456169 /nfs/dbraw/zinc/45/61/69/506456169.db2.gz XUWTZJRCCPNNJR-UHFFFAOYSA-N -2 3 360.318 2.603 40 0 endogenous,in-man FFABHL CC(C)CCc1c([O-])nc(SCC(=O)Nc2ccc(F)cc2)[n-]c1=O ZINC000013453869 506941918 /nfs/dbraw/zinc/94/19/18/506941918.db2.gz KTSNYWGPDRLTOY-UHFFFAOYSA-N -2 3 365.430 2.934 40 0 FFABHL COc1cc2[n-]c(=S)n([N-]C(=O)c3cccs3)c(=O)c2cc1OC ZINC000138699653 508777947 /nfs/dbraw/zinc/77/79/47/508777947.db2.gz YAIRDFYIEFTDAS-UHFFFAOYSA-N -2 3 363.420 2.934 40 0 FFABHL CN(C)c1ccc(S(=O)(=O)[N-]c2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)cc1 ZINC000634794914 523668538 /nfs/dbraw/zinc/66/85/38/523668538.db2.gz XQKHDNIBPRFSEI-DLBZAZTESA-N -2 3 360.435 2.742 40 0 FFABHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1Cl ZINC000052410543 507808472 /nfs/dbraw/zinc/80/84/72/507808472.db2.gz DGERJBJQLPGDBE-UHFFFAOYSA-N -2 3 355.799 2.913 40 0 FFABHL CC(C)(C)OC(=O)N[C@@H](Cc1ccc([O-])cc1Br)C(=O)[O-] ZINC000064219621 212037341 /nfs/dbraw/zinc/03/73/41/212037341.db2.gz VMTZROOKCYBRTN-NSHDSACASA-N -2 3 360.204 2.675 40 0 FFABHL C#CCOc1ccc(C=C(Sc2n[n-]c(CC)n2)C(=O)[O-])cc1OCC ZINC000007342568 506554947 /nfs/dbraw/zinc/55/49/47/506554947.db2.gz VUZJXUYCLGZAHB-PTNGSMBKSA-N -2 3 373.434 2.996 40 0 FFABHL COc1ccc(-n2nc3[n-]c(COc4ccccc4)cc(=O)c3c2[O-])cc1 ZINC000017074712 507115034 /nfs/dbraw/zinc/11/50/34/507115034.db2.gz DWFQVMUPTYGUAB-UHFFFAOYSA-N -2 3 363.373 2.595 40 0 FFABHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3cccc4ccccc43)ccc21 ZINC000226860401 509403870 /nfs/dbraw/zinc/40/38/70/509403870.db2.gz KXVGKLAUOPOEKD-UHFFFAOYSA-N -2 3 352.371 2.524 40 0 FFABHL CS(=O)(=O)[N-]c1ccc(-c2ccc(C(=O)[O-])o2)c(Br)c1 ZINC000226352769 509398220 /nfs/dbraw/zinc/39/82/20/509398220.db2.gz HKIHWKMPZKDWCB-UHFFFAOYSA-N -2 3 360.185 2.779 40 0 FFABHL CCc1nc(SC(=Cc2cc(OC)c(OC)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000213407370 509241890 /nfs/dbraw/zinc/24/18/90/509241890.db2.gz RAQUNTFSQJZVBT-WQLSENKSSA-N -2 3 365.411 2.611 40 0 FFABHL Nc1ccc(C(=O)Nc2ccc3c([O-])cc(S(=O)(=O)[O-])cc3c2)cc1 ZINC000001577002 210359381 /nfs/dbraw/zinc/35/93/81/210359381.db2.gz BRIUJVAXLMLKPY-UHFFFAOYSA-N -2 3 358.375 2.627 40 0 FFABHL CCc1nc(SC(=Cc2ccc(OC)c(OC)c2OC)C(=O)[O-])n[n-]1 ZINC000007342531 506554670 /nfs/dbraw/zinc/55/46/70/506554670.db2.gz AVLLYMQVRNXMCT-FLIBITNWSA-N -2 3 365.411 2.611 40 0 FFABHL Cc1cc(O)cc([O-])c1C(=O)c1c([O-])cccc1Cc1cc(=O)cc([O-])o1 ZINC000003850734 506350151 /nfs/dbraw/zinc/35/01/51/506350151.db2.gz MNAOMQZPLJZTIG-UHFFFAOYSA-N -3 3 368.341 2.592 40 0 FFABHL Cc1cc(O)cc([O-])c1C(=O)c1c([O-])cccc1Cc1cc([O-])cc(=O)o1 ZINC000003850734 506350155 /nfs/dbraw/zinc/35/01/55/506350155.db2.gz MNAOMQZPLJZTIG-UHFFFAOYSA-N -3 3 368.341 2.592 40 0 FFABHL CCc1nc(SC(=Cc2ccc(OC)c([N+](=O)[O-])c2)C(=O)[O-])n[n-]1 ZINC000007342490 506554750 /nfs/dbraw/zinc/55/47/50/506554750.db2.gz ORKXSUFTHLPVLG-XFFZJAGNSA-N -2 3 350.356 2.502 40 0 FFABHL O=C([O-])C=Cc1cccc(NC([S-])=NC(=O)COc2ccccc2F)c1 ZINC000226323412 509398471 /nfs/dbraw/zinc/39/84/71/509398471.db2.gz ANERGLOVDINCIX-CMDGGOBGSA-N -2 3 374.393 2.816 40 0 FFABHL COC[C@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C(=O)[O-] ZINC000217639915 509272273 /nfs/dbraw/zinc/27/22/73/509272273.db2.gz LQPVBAFABWQCOH-LBPRGKRZSA-N -2 3 364.423 2.632 40 0 FFABHL CC(C)Cc1c([O-])nc(SCC(=O)Nc2cccc(F)c2)[n-]c1=O ZINC000013453799 220068523 /nfs/dbraw/zinc/06/85/23/220068523.db2.gz ZTQKRIDASKUBAB-UHFFFAOYSA-N -2 3 351.403 2.544 40 0 FFABHL O=C([O-])[C@H](Cc1ccccc1)N[C@H](c1ccc(Cl)cc1)P(=O)([O-])[O-] ZINC000001590390 210359519 /nfs/dbraw/zinc/35/95/19/210359519.db2.gz UFDUGJQZMFXKIC-GJZGRUSLSA-N -3 3 369.741 2.802 40 0 FFABHL Cc1ccccc1[N-]S(=O)(=O)c1cc2cccc3c2c(c1)C(=O)[N-]C3=O ZINC000005516131 506445588 /nfs/dbraw/zinc/44/55/88/506445588.db2.gz WQCBIBXBLXOHPQ-UHFFFAOYSA-N -2 3 366.398 2.833 40 0 FFABHL CCc1nc(SC(=Cc2c(OC)cc(OC)cc2OC)C(=O)[O-])n[n-]1 ZINC000007342532 506554895 /nfs/dbraw/zinc/55/48/95/506554895.db2.gz OXEVZYULXFYZEG-JYRVWZFOSA-N -2 3 365.411 2.611 40 0 FFABHL O=C1[N-]C(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)c(Cl)c3)ccc21 ZINC000068215942 221314230 /nfs/dbraw/zinc/31/42/30/221314230.db2.gz NGROBPURQMRMBI-UHFFFAOYSA-N -2 3 371.201 2.678 40 0 FFABHL Cc1c([O-])nc(SCC(=O)Nc2ccccc2C(F)(F)F)[n-]c1=O ZINC000035315937 506380854 /nfs/dbraw/zinc/38/08/54/506380854.db2.gz DTEITCQBDZYBQN-UHFFFAOYSA-N -2 3 359.329 2.534 40 0 FFABHL CC(C)Cc1c([O-])nc(SCC(=O)Nc2ccccc2F)[n-]c1=O ZINC000008574794 506659106 /nfs/dbraw/zinc/65/91/06/506659106.db2.gz DYFGUTAPQUKQBT-UHFFFAOYSA-N -2 3 351.403 2.544 40 0 FFABHL COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000105058579 508358853 /nfs/dbraw/zinc/35/88/53/508358853.db2.gz QYMQMOYVMRQLOQ-UHFFFAOYSA-N -2 3 371.798 2.613 40 0 FFABHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)ccc1N1CCCC1=O ZINC000216300694 509259257 /nfs/dbraw/zinc/25/92/57/509259257.db2.gz MGGZKGFZDHJLEV-UHFFFAOYSA-N -2 3 374.418 2.621 40 0 FFABHL O=C1O[C@@H](c2c(=O)[n-]c(=S)n(-c3ccc(F)cc3)c2[O-])c2ccccc21 ZINC000016524557 220186815 /nfs/dbraw/zinc/18/68/15/220186815.db2.gz UMFZUPAJBPCHAW-CQSZACIVSA-N -2 3 370.361 3.000 40 0 FFABHL CCc1nc(SC(=Cc2cc3c(cc2Cl)OCO3)C(=O)[O-])n[n-]1 ZINC000007342588 506553864 /nfs/dbraw/zinc/55/38/64/506553864.db2.gz FZGSVGXOVISPSJ-WCIBSUBMSA-N -2 3 353.787 2.967 40 0 FFABHL COCOc1ccc(-c2oc3cc(OCOC)cc(=O)c-3c([O-])c2[O-])cc1 ZINC000065743105 221235654 /nfs/dbraw/zinc/23/56/54/221235654.db2.gz DEKADMRWDRKBMB-UHFFFAOYSA-N -2 3 374.345 2.837 40 0 in-vitro FFABHL Cc1nc(C)c(Cc2cc(=O)n3[n-]cc(-c4ccc(F)cc4)c3n2)c(=O)[n-]1 ZINC000100776225 222253280 /nfs/dbraw/zinc/25/32/80/222253280.db2.gz WIBKKTZMPLXUJY-UHFFFAOYSA-N -2 3 365.368 2.944 40 0 FFABHL O=C([O-])C=Cc1cccc(NC([S-])=NC(=O)COc2ccccc2)c1 ZINC000226323252 206121869 /nfs/dbraw/zinc/12/18/69/206121869.db2.gz AKCHVXGUCJNGKI-MDZDMXLPSA-N -2 3 356.403 2.676 40 0 FFABHL CC(C)c1oc(NC(=O)c2ccccc2-c2ccccc2C(=O)[O-])nc1[O-] ZINC000227173809 206126502 /nfs/dbraw/zinc/12/65/02/206126502.db2.gz FXWLNZFHAAURJJ-MRXNPFEDSA-N -2 3 366.373 2.719 40 0 FFABHL CCc1nc(SC(=Cc2cc(OC)c(OC)cc2OC)C(=O)[O-])n[n-]1 ZINC000007342533 506554962 /nfs/dbraw/zinc/55/49/62/506554962.db2.gz YYXUTURKWAYWJB-QPEQYQDCSA-N -2 3 365.411 2.611 40 0 FFABHL Cc1cccc([N-]S(=O)(=O)c2cc3cccc4c3c(c2)C(=O)[N-]C4=O)c1 ZINC000005516133 206195939 /nfs/dbraw/zinc/19/59/39/206195939.db2.gz QCHGHTHCPRLOKD-UHFFFAOYSA-N -2 3 366.398 2.833 40 0 FFABHL C#CCOc1ccc(C=C(Sc2n[n-]c(CCC)n2)C(=O)[O-])cc1OC ZINC000007342333 506554774 /nfs/dbraw/zinc/55/47/74/506554774.db2.gz OLEGTTSNTFJRSL-PTNGSMBKSA-N -2 3 373.434 2.996 40 0 FFABHL COC[C@@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C(=O)[O-] ZINC000217639849 206364863 /nfs/dbraw/zinc/36/48/63/206364863.db2.gz LQPVBAFABWQCOH-GFCCVEGCSA-N -2 3 364.423 2.632 40 0 FFABHL O=C([O-])[C@H](Cc1ccccc1)N[C@@H](c1ccc(Cl)cc1)P(=O)([O-])[O-] ZINC000001590388 204013121 /nfs/dbraw/zinc/01/31/21/204013121.db2.gz UFDUGJQZMFXKIC-LSDHHAIUSA-N -3 3 369.741 2.802 40 0 FFABHL CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000047948970 209328539 /nfs/dbraw/zinc/32/85/39/209328539.db2.gz HTNXAUPPJDYZLS-UHFFFAOYSA-N -2 3 351.380 2.593 40 0 FFABHL COc1cc([N-]S(=O)(=O)c2ccc(F)cc2)c(Cl)cc1C(=O)[O-] ZINC000013341255 208288856 /nfs/dbraw/zinc/28/88/56/208288856.db2.gz WWYWYWOZQCWVDA-UHFFFAOYSA-N -2 3 359.762 2.987 40 0 FFABHL O=c1cc(COc2ccccc2)[n-]c2nn(-c3ccc(F)cc3)c([O-])c21 ZINC000017072853 507113512 /nfs/dbraw/zinc/11/35/12/507113512.db2.gz XZAOYPVRXKWUPI-UHFFFAOYSA-N -2 3 351.337 2.725 40 0 FFABHL Cc1nnc(SC(=Cc2ccc([O-])c(Br)c2)C(=O)[O-])[nH]1 ZINC000006588238 506489419 /nfs/dbraw/zinc/48/94/19/506489419.db2.gz DORFSUHKYIMGMS-YHYXMXQVSA-N -2 3 356.201 2.799 40 0 FFABHL Cc1n[nH]c(SC(=Cc2ccc([O-])c(Br)c2)C(=O)[O-])n1 ZINC000006588238 506489422 /nfs/dbraw/zinc/48/94/22/506489422.db2.gz DORFSUHKYIMGMS-YHYXMXQVSA-N -2 3 356.201 2.799 40 0 FFABHL CCCc1nc(SC(=Cc2ccc(OCC#N)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000007342264 506554488 /nfs/dbraw/zinc/55/44/88/506554488.db2.gz YFUBESGSPZQMTD-UVTDQMKNSA-N -2 3 374.422 2.886 40 0 FFABHL O=C([O-])[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000085344765 508303078 /nfs/dbraw/zinc/30/30/78/508303078.db2.gz VNSZEZBUGATYHO-CYBMUJFWSA-N -2 3 374.245 2.968 40 0 FFABHL CCOCCc1c([O-])nc(SCCOc2ccc(C)c(C)c2)[n-]c1=O ZINC000013570993 220075690 /nfs/dbraw/zinc/07/56/90/220075690.db2.gz IYLPPPMPJSXREY-UHFFFAOYSA-N -2 3 364.467 2.842 40 0 FFABHL COc1cccc(C([N-]c2nncs2)[N-]c2nncs2)c1OC ZINC000001612136 210361869 /nfs/dbraw/zinc/36/18/69/210361869.db2.gz YIOCRXMFUVJTKI-UHFFFAOYSA-N -2 3 350.429 2.630 40 0 FFABHL CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000022533146 211354763 /nfs/dbraw/zinc/35/47/63/211354763.db2.gz UCIMQHRRBOJTRH-UHFFFAOYSA-N -2 3 368.798 2.662 40 0 FFABHL CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1Cl ZINC000022508546 211353390 /nfs/dbraw/zinc/35/33/90/211353390.db2.gz BRZOXGXYERIKCY-UHFFFAOYSA-N -2 3 368.798 2.662 40 0 FFABHL COc1cc(Br)cc(C(=O)Nc2nc(C(=O)[O-])cs2)c1[O-] ZINC000257263426 533487884 /nfs/dbraw/zinc/48/78/84/533487884.db2.gz LPWSTXCIESQPDB-UHFFFAOYSA-N -2 3 373.184 2.570 40 0 FFABHL CCCc1nc(SC(=Cc2ccc(OC)c([N+](=O)[O-])c2)C(=O)[O-])n[n-]1 ZINC000007342274 506554544 /nfs/dbraw/zinc/55/45/44/506554544.db2.gz HVMAGUPDLXLPOF-WQLSENKSSA-N -2 3 364.383 2.892 40 0 FFABHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000060512762 507556286 /nfs/dbraw/zinc/55/62/86/507556286.db2.gz OZANEJDCRWDXJH-UHFFFAOYSA-N -2 3 359.762 2.743 40 0 FFABHL O=C([O-])[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000013026936 220054946 /nfs/dbraw/zinc/05/49/46/220054946.db2.gz VNSZEZBUGATYHO-ZDUSSCGKSA-N -2 3 374.245 2.968 40 0 FFABHL Cc1ccc(C(=O)[O-])cc1NC(=S)[N-]C(=O)C(Cl)(Cl)Cl ZINC000006613949 506492627 /nfs/dbraw/zinc/49/26/27/506492627.db2.gz RBWQQRYEAYJLGU-UHFFFAOYSA-N -2 3 355.630 2.876 40 0 FFABHL O=c1c2c([O-])cc(-c3ccco3)[n-]c-2nn1-c1nc2ccccc2s1 ZINC000009926408 506717931 /nfs/dbraw/zinc/71/79/31/506717931.db2.gz YASUKOZHMHIWLM-UHFFFAOYSA-N -2 3 350.359 2.877 40 0 FFABHL CC(C)CCc1c([O-])nc(SCC(=O)NC2CCCCC2)[n-]c1=O ZINC000013453854 220067895 /nfs/dbraw/zinc/06/78/95/220067895.db2.gz SHBVOCGEAMGRCL-UHFFFAOYSA-N -2 3 353.488 2.605 40 0 FFABHL Nc1ccc(C(=O)Nc2ccc3cc(S(=O)(=O)[O-])cc([O-])c3c2)cc1 ZINC000001669800 210365530 /nfs/dbraw/zinc/36/55/30/210365530.db2.gz RAHCSEBTAZMAMV-UHFFFAOYSA-N -2 3 358.375 2.627 40 0 FFABHL COc1cc(-c2cc(=O)c3c([O-])c(OC)c([O-])cc3o2)cc(O)c1OC ZINC000003589847 506344705 /nfs/dbraw/zinc/34/47/05/506344705.db2.gz PMBOOVZSTMWOFS-UHFFFAOYSA-N -2 3 360.318 2.603 40 0 biogenic,in-vitro FFABHL CCCCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000111135663 210168285 /nfs/dbraw/zinc/16/82/85/210168285.db2.gz PWTCNIBEZZPEAR-UHFFFAOYSA-N -2 3 358.419 2.714 40 0 FFABHL CC(C)(C)OC(=O)N[C@H](Cc1ccc([O-])cc1Br)C(=O)[O-] ZINC000064219620 212037294 /nfs/dbraw/zinc/03/72/94/212037294.db2.gz VMTZROOKCYBRTN-LLVKDONJSA-N -2 3 360.204 2.675 40 0 FFABHL CC(=O)c1ccc(=O)c2c([O-])cc(-c3cc([O-])cc(O)c3C(C)=O)oc1-2 ZINC000001705139 210366100 /nfs/dbraw/zinc/36/61/00/210366100.db2.gz DEFYWUPGKABEQF-UHFFFAOYSA-N -2 3 354.314 2.982 40 0 FFABHL CC(=O)c1ccc([O-])c2c(=O)cc(-c3cc([O-])cc(O)c3C(C)=O)oc12 ZINC000001705139 210366103 /nfs/dbraw/zinc/36/61/03/210366103.db2.gz DEFYWUPGKABEQF-UHFFFAOYSA-N -2 3 354.314 2.982 40 0 FFABHL CCCCN(C)C(=O)CSc1nc([O-])c(C2CCCCC2)c(=O)[n-]1 ZINC000013453922 220068965 /nfs/dbraw/zinc/06/89/65/220068965.db2.gz WOCNEMRHHYHUAM-UHFFFAOYSA-N -2 3 353.488 2.874 40 0 FFABHL CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c(Cl)c1 ZINC000020452431 211281852 /nfs/dbraw/zinc/28/18/52/211281852.db2.gz WCHZNTNPMJZOQT-UHFFFAOYSA-N -2 3 368.798 2.662 40 0 FFABHL Cc1cc(C)nc(-n2[n-]c3nc(-c4ccccc4)c(Cl)c([O-])c3c2=O)n1 ZINC000005452449 506444894 /nfs/dbraw/zinc/44/48/94/506444894.db2.gz XFELEFDDQZXDCY-UHFFFAOYSA-N -2 3 367.796 2.734 40 0 FFABHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000105058576 508359088 /nfs/dbraw/zinc/35/90/88/508359088.db2.gz HZYPIOCWKIFELQ-UHFFFAOYSA-N -2 3 355.799 2.913 40 0 FFABHL COCCCNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1C(=O)[O-] ZINC000217637828 523378730 /nfs/dbraw/zinc/37/87/30/523378730.db2.gz QKTQOJINXUORMX-UHFFFAOYSA-N -2 3 364.423 2.634 40 0 FFABHL CC(C)Cc1c([O-])nc(SCC(=O)Nc2ccc3c(c2)CCC3)[n-]c1=O ZINC000013108296 220057638 /nfs/dbraw/zinc/05/76/38/220057638.db2.gz WMSVQVIXRMMIOK-UHFFFAOYSA-N -2 3 373.478 2.894 40 0 FFABHL O=C([O-])[C@@H](Cc1ccccc1)N[C@@H](c1ccc(Cl)cc1)P(=O)([O-])[O-] ZINC000001590389 506266362 /nfs/dbraw/zinc/26/63/62/506266362.db2.gz UFDUGJQZMFXKIC-HUUCEWRRSA-N -3 3 369.741 2.802 40 0 FFABHL COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1Cl ZINC000047080919 507261019 /nfs/dbraw/zinc/26/10/19/507261019.db2.gz WCSRQPHUSWHQON-UHFFFAOYSA-N -2 3 371.798 2.613 40 0 FFABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1Cl ZINC000409027601 513097481 /nfs/dbraw/zinc/09/74/81/513097481.db2.gz MODFWTRJPAFFJY-UHFFFAOYSA-N -2 3 374.871 2.821 40 0 FFABHL CC(C)CCc1c([O-])nc(SCC(=O)Nc2ccccc2F)[n-]c1=O ZINC000013453873 220068131 /nfs/dbraw/zinc/06/81/31/220068131.db2.gz OFOCPSHJPJIZBG-UHFFFAOYSA-N -2 3 365.430 2.934 40 0 FFABHL Cc1c(NC(=S)[N-]C(=O)C(Cl)(Cl)Cl)cccc1C(=O)[O-] ZINC000006571292 506488590 /nfs/dbraw/zinc/48/85/90/506488590.db2.gz PANYEVGPYMZLDQ-UHFFFAOYSA-N -2 3 355.630 2.876 40 0 FFABHL CCc1nc(SC(=Cc2cc(Cl)c([O-])c(OC)c2)C(=O)[O-])n[nH]1 ZINC000209156407 845749419 /nfs/dbraw/zinc/74/94/19/845749419.db2.gz SXKHDOUMTSKBSJ-POHAHGRESA-N -2 3 355.803 2.953 40 0 FFABHL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000224542917 509356955 /nfs/dbraw/zinc/35/69/55/509356955.db2.gz WOFJHOKEXRRPFX-UHFFFAOYSA-N -2 3 374.871 2.821 40 0 FFABHL CCOc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(Cl)c1[O-] ZINC000409148683 513099244 /nfs/dbraw/zinc/09/92/44/513099244.db2.gz ZRJXYWOFPITYDF-BJMVGYQFSA-N -2 3 357.771 2.565 40 0 FFABHL